data_Remediated_restraints_file_for_PDB_entry_1daq # This BMRB archive file contains, for PDB entry 1daq: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1daq _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1daq' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1daq' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1daq 'Master copy' rr_1daq stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1daq _Assembly.ID 1 _Assembly.Name 1daq _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 7926.8998 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ENDOGLUCANASE SS' 1 $ENDOGLUCANASE_SS A . no . . . . . . rr_1daq 1 2 'CALCIUM ION' 2 $CALCIUM_ION B . no . . . . . . rr_1daq 1 3 'CALCIUM ION' 2 $CALCIUM_ION C . no . . . . . . rr_1daq 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ENDOGLUCANASE_SS _Entity.Sf_category entity _Entity.Sf_framecode ENDOGLUCANASE_SS _Entity.Entry_ID rr_1daq _Entity.ID 1 _Entity.Name ENDOGLUCANASE_SS _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; MSTKLYGDVNDDGKVNSTDA VALKRYVLRSGISINTDNAD LNEDGRVNSTDLGILKRYIL KEIDTLPYKNG ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 71 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 7846.7398 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . rr_1daq 1 2 . SER . rr_1daq 1 3 . THR . rr_1daq 1 4 . LYS . rr_1daq 1 5 . LEU . rr_1daq 1 6 . TYR . rr_1daq 1 7 . GLY . rr_1daq 1 8 . ASP . rr_1daq 1 9 . VAL . rr_1daq 1 10 . ASN . rr_1daq 1 11 . ASP . rr_1daq 1 12 . ASP . rr_1daq 1 13 . GLY . rr_1daq 1 14 . LYS . rr_1daq 1 15 . VAL . rr_1daq 1 16 . ASN . rr_1daq 1 17 . SER . rr_1daq 1 18 . THR . rr_1daq 1 19 . ASP . rr_1daq 1 20 . ALA . rr_1daq 1 21 . VAL . rr_1daq 1 22 . ALA . rr_1daq 1 23 . LEU . rr_1daq 1 24 . LYS . rr_1daq 1 25 . ARG . rr_1daq 1 26 . TYR . rr_1daq 1 27 . VAL . rr_1daq 1 28 . LEU . rr_1daq 1 29 . ARG . rr_1daq 1 30 . SER . rr_1daq 1 31 . GLY . rr_1daq 1 32 . ILE . rr_1daq 1 33 . SER . rr_1daq 1 34 . ILE . rr_1daq 1 35 . ASN . rr_1daq 1 36 . THR . rr_1daq 1 37 . ASP . rr_1daq 1 38 . ASN . rr_1daq 1 39 . ALA . rr_1daq 1 40 . ASP . rr_1daq 1 41 . LEU . rr_1daq 1 42 . ASN . rr_1daq 1 43 . GLU . rr_1daq 1 44 . ASP . rr_1daq 1 45 . GLY . rr_1daq 1 46 . ARG . rr_1daq 1 47 . VAL . rr_1daq 1 48 . ASN . rr_1daq 1 49 . SER . rr_1daq 1 50 . THR . rr_1daq 1 51 . ASP . rr_1daq 1 52 . LEU . rr_1daq 1 53 . GLY . rr_1daq 1 54 . ILE . rr_1daq 1 55 . LEU . rr_1daq 1 56 . LYS . rr_1daq 1 57 . ARG . rr_1daq 1 58 . TYR . rr_1daq 1 59 . ILE . rr_1daq 1 60 . LEU . rr_1daq 1 61 . LYS . rr_1daq 1 62 . GLU . rr_1daq 1 63 . ILE . rr_1daq 1 64 . ASP . rr_1daq 1 65 . THR . rr_1daq 1 66 . LEU . rr_1daq 1 67 . PRO . rr_1daq 1 68 . TYR . rr_1daq 1 69 . LYS . rr_1daq 1 70 . ASN . rr_1daq 1 71 . GLY . rr_1daq 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 rr_1daq 1 . SER 2 2 rr_1daq 1 . THR 3 3 rr_1daq 1 . LYS 4 4 rr_1daq 1 . LEU 5 5 rr_1daq 1 . TYR 6 6 rr_1daq 1 . GLY 7 7 rr_1daq 1 . ASP 8 8 rr_1daq 1 . VAL 9 9 rr_1daq 1 . ASN 10 10 rr_1daq 1 . ASP 11 11 rr_1daq 1 . ASP 12 12 rr_1daq 1 . GLY 13 13 rr_1daq 1 . LYS 14 14 rr_1daq 1 . VAL 15 15 rr_1daq 1 . ASN 16 16 rr_1daq 1 . SER 17 17 rr_1daq 1 . THR 18 18 rr_1daq 1 . ASP 19 19 rr_1daq 1 . ALA 20 20 rr_1daq 1 . VAL 21 21 rr_1daq 1 . ALA 22 22 rr_1daq 1 . LEU 23 23 rr_1daq 1 . LYS 24 24 rr_1daq 1 . ARG 25 25 rr_1daq 1 . TYR 26 26 rr_1daq 1 . VAL 27 27 rr_1daq 1 . LEU 28 28 rr_1daq 1 . ARG 29 29 rr_1daq 1 . SER 30 30 rr_1daq 1 . GLY 31 31 rr_1daq 1 . ILE 32 32 rr_1daq 1 . SER 33 33 rr_1daq 1 . ILE 34 34 rr_1daq 1 . ASN 35 35 rr_1daq 1 . THR 36 36 rr_1daq 1 . ASP 37 37 rr_1daq 1 . ASN 38 38 rr_1daq 1 . ALA 39 39 rr_1daq 1 . ASP 40 40 rr_1daq 1 . LEU 41 41 rr_1daq 1 . ASN 42 42 rr_1daq 1 . GLU 43 43 rr_1daq 1 . ASP 44 44 rr_1daq 1 . GLY 45 45 rr_1daq 1 . ARG 46 46 rr_1daq 1 . VAL 47 47 rr_1daq 1 . ASN 48 48 rr_1daq 1 . SER 49 49 rr_1daq 1 . THR 50 50 rr_1daq 1 . ASP 51 51 rr_1daq 1 . LEU 52 52 rr_1daq 1 . GLY 53 53 rr_1daq 1 . ILE 54 54 rr_1daq 1 . LEU 55 55 rr_1daq 1 . LYS 56 56 rr_1daq 1 . ARG 57 57 rr_1daq 1 . TYR 58 58 rr_1daq 1 . ILE 59 59 rr_1daq 1 . LEU 60 60 rr_1daq 1 . LYS 61 61 rr_1daq 1 . GLU 62 62 rr_1daq 1 . ILE 63 63 rr_1daq 1 . ASP 64 64 rr_1daq 1 . THR 65 65 rr_1daq 1 . LEU 66 66 rr_1daq 1 . PRO 67 67 rr_1daq 1 . TYR 68 68 rr_1daq 1 . LYS 69 69 rr_1daq 1 . ASN 70 70 rr_1daq 1 . GLY 71 71 rr_1daq 1 stop_ save_ save_CALCIUM_ION _Entity.Sf_category entity _Entity.Sf_framecode CALCIUM_ION _Entity.Entry_ID rr_1daq _Entity.ID 2 _Entity.Name CALCIUM_ION _Entity.Type non-polymer _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Number_of_monomers 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 2 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . rr_1daq 2 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID rr_1daq _Chem_comp.ID CA _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.PDB_code CA _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.08 save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1daq _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID rr_1daq _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . rr_1daq 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . rr_1daq 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 MET C C 3.092 19.791 9.363 . . . 1.0 . . . . . . . . . . . . A . 1 MET C . . . . . . . . . rr_1daq 1 . 1 . 2 . 1 1 1 MET CA C 3.192 21.092 8.563 . . . 1.0 . . . . . . . . . . . . A . 1 MET CA . . . . . . . . . rr_1daq 1 . 1 . 3 . 1 1 1 MET CB C 2.117 22.070 9.042 . . . 1.0 . . . . . . . . . . . . A . 1 MET CB . . . . . . . . . rr_1daq 1 . 1 . 4 . 1 1 1 MET CE C 1.534 26.058 8.156 . . . 1.0 . . . . . . . . . . . . A . 1 MET CE . . . . . . . . . rr_1daq 1 . 1 . 5 . 1 1 1 MET CG C 2.360 23.471 8.478 . . . 1.0 . . . . . . . . . . . . A . 1 MET CG . . . . . . . . . rr_1daq 1 . 1 . 6 . 1 1 1 MET HA H 4.190 21.516 8.672 . . . 1.0 . . . . . . . . . . . . A . 1 MET HA . . . . . . . . . rr_1daq 1 . 1 . 7 . 1 1 1 MET HB2 H 1.134 21.715 8.732 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB2 . . . . . . . . . rr_1daq 1 . 1 . 8 . 1 1 1 MET HB3 H 2.113 22.107 10.132 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB3 . . . . . . . . . rr_1daq 1 . 1 . 9 . 1 1 1 MET HE1 H 1.326 26.952 8.745 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE1 . . . . . . . . . rr_1daq 1 . 1 . 10 . 1 1 1 MET HE2 H 2.589 26.040 7.885 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE2 . . . . . . . . . rr_1daq 1 . 1 . 11 . 1 1 1 MET HE3 H 0.926 26.068 7.253 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE3 . . . . . . . . . rr_1daq 1 . 1 . 12 . 1 1 1 MET HG2 H 3.362 23.809 8.744 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG2 . . . . . . . . . rr_1daq 1 . 1 . 13 . 1 1 1 MET HG3 H 2.309 23.448 7.390 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG3 . . . . . . . . . rr_1daq 1 . 1 . 14 . 1 1 1 MET N N 3.024 20.844 7.142 . . . 1.0 . . . . . . . . . . . . A . 1 MET N . . . . . . . . . rr_1daq 1 . 1 . 15 . 1 1 1 MET O O 3.902 19.541 10.254 . . . 1.0 . . . . . . . . . . . . A . 1 MET O . . . . . . . . . rr_1daq 1 . 1 . 16 . 1 1 1 MET SD S 1.143 24.607 9.121 . . . 1.0 . . . . . . . . . . . . A . 1 MET SD . . . . . . . . . rr_1daq 1 . 1 . 17 . 1 1 2 SER C C 0.999 16.818 8.824 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . rr_1daq 1 . 1 . 18 . 1 1 2 SER CA C 1.872 17.729 9.691 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . rr_1daq 1 . 1 . 19 . 1 1 2 SER CB C 1.225 17.936 11.061 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . rr_1daq 1 . 1 . 20 . 1 1 2 SER H H 1.434 19.208 8.291 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . rr_1daq 1 . 1 . 21 . 1 1 2 SER HA H 2.864 17.297 9.819 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . rr_1daq 1 . 1 . 22 . 1 1 2 SER HB2 H 0.636 18.853 11.048 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . rr_1daq 1 . 1 . 23 . 1 1 2 SER HB3 H 0.535 17.117 11.265 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . rr_1daq 1 . 1 . 24 . 1 1 2 SER HG H 1.986 17.336 12.811 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . rr_1daq 1 . 1 . 25 . 1 1 2 SER N N 2.089 18.997 9.016 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . rr_1daq 1 . 1 . 26 . 1 1 2 SER O O 0.025 17.272 8.226 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . rr_1daq 1 . 1 . 27 . 1 1 2 SER OG O 2.194 18.010 12.103 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . rr_1daq 1 . 1 . 28 . 1 1 3 THR C C 0.877 13.164 8.550 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . rr_1daq 1 . 1 . 29 . 1 1 3 THR CA C 0.644 14.572 8.000 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . rr_1daq 1 . 1 . 30 . 1 1 3 THR CB C 1.061 14.729 6.536 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . rr_1daq 1 . 1 . 31 . 1 1 3 THR CG2 C 2.566 14.538 6.332 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . rr_1daq 1 . 1 . 32 . 1 1 3 THR H H 2.174 15.189 9.272 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . rr_1daq 1 . 1 . 33 . 1 1 3 THR HA H -0.420 14.782 8.099 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . rr_1daq 1 . 1 . 34 . 1 1 3 THR HB H 0.734 15.690 6.138 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . rr_1daq 1 . 1 . 35 . 1 1 3 THR HG1 H -0.448 13.826 5.581 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . rr_1daq 1 . 1 . 36 . 1 1 3 THR HG21 H 3.102 14.930 7.195 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . rr_1daq 1 . 1 . 37 . 1 1 3 THR HG22 H 2.785 13.476 6.218 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . rr_1daq 1 . 1 . 38 . 1 1 3 THR HG23 H 2.882 15.073 5.436 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . rr_1daq 1 . 1 . 39 . 1 1 3 THR N N 1.380 15.550 8.783 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . rr_1daq 1 . 1 . 40 . 1 1 3 THR O O 1.876 12.913 9.223 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . rr_1daq 1 . 1 . 41 . 1 1 3 THR OG1 O 0.478 13.603 5.886 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . rr_1daq 1 . 1 . 42 . 1 1 4 LYS C C -0.224 9.963 7.519 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . rr_1daq 1 . 1 . 43 . 1 1 4 LYS CA C 0.028 10.904 8.699 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . rr_1daq 1 . 1 . 44 . 1 1 4 LYS CB C -0.911 10.669 9.884 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . rr_1daq 1 . 1 . 45 . 1 1 4 LYS CD C -0.976 11.511 12.260 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . rr_1daq 1 . 1 . 46 . 1 1 4 LYS CE C -0.114 11.879 13.470 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . rr_1daq 1 . 1 . 47 . 1 1 4 LYS CG C -0.154 10.760 11.210 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . rr_1daq 1 . 1 . 48 . 1 1 4 LYS H H -0.871 12.493 7.696 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . rr_1daq 1 . 1 . 49 . 1 1 4 LYS HA H 1.045 10.744 9.057 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . rr_1daq 1 . 1 . 50 . 1 1 4 LYS HB2 H -1.715 11.406 9.868 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . rr_1daq 1 . 1 . 51 . 1 1 4 LYS HB3 H -1.379 9.688 9.793 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . rr_1daq 1 . 1 . 52 . 1 1 4 LYS HD2 H -1.397 12.415 11.820 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . rr_1daq 1 . 1 . 53 . 1 1 4 LYS HD3 H -1.814 10.892 12.582 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . rr_1daq 1 . 1 . 54 . 1 1 4 LYS HE2 H -0.039 11.027 14.144 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . rr_1daq 1 . 1 . 55 . 1 1 4 LYS HE3 H 0.898 12.118 13.144 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . rr_1daq 1 . 1 . 56 . 1 1 4 LYS HG2 H 0.075 9.758 11.572 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . rr_1daq 1 . 1 . 57 . 1 1 4 LYS HG3 H 0.797 11.269 11.056 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . rr_1daq 1 . 1 . 58 . 1 1 4 LYS HZ1 H -0.009 13.758 14.268 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . rr_1daq 1 . 1 . 59 . 1 1 4 LYS HZ2 H -1.484 13.381 13.678 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . rr_1daq 1 . 1 . 60 . 1 1 4 LYS HZ3 H -0.988 12.749 15.099 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . rr_1daq 1 . 1 . 61 . 1 1 4 LYS N N -0.062 12.281 8.243 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . rr_1daq 1 . 1 . 62 . 1 1 4 LYS NZ N -0.696 13.036 14.187 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . rr_1daq 1 . 1 . 63 . 1 1 4 LYS O O -1.339 9.892 7.004 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . rr_1daq 1 . 1 . 64 . 1 1 5 LEU C C 2.018 7.497 5.948 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_1daq 1 . 1 . 65 . 1 1 5 LEU CA C 0.738 8.331 6.015 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_1daq 1 . 1 . 66 . 1 1 5 LEU CB C 0.418 9.073 4.717 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_1daq 1 . 1 . 67 . 1 1 5 LEU CD1 C 1.029 10.796 2.979 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_1daq 1 . 1 . 68 . 1 1 5 LEU CD2 C 2.127 10.845 5.265 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_1daq 1 . 1 . 69 . 1 1 5 LEU CG C 1.529 9.967 4.163 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_1daq 1 . 1 . 70 . 1 1 5 LEU H H 1.734 9.328 7.550 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_1daq 1 . 1 . 71 . 1 1 5 LEU HA H -0.099 7.663 6.220 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_1daq 1 . 1 . 72 . 1 1 5 LEU HB2 H 0.158 8.337 3.956 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_1daq 1 . 1 . 73 . 1 1 5 LEU HB3 H -0.468 9.688 4.881 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_1daq 1 . 1 . 74 . 1 1 5 LEU HD11 H 1.715 10.682 2.140 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_1daq 1 . 1 . 75 . 1 1 5 LEU HD12 H 0.037 10.449 2.686 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_1daq 1 . 1 . 76 . 1 1 5 LEU HD13 H 0.977 11.847 3.266 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_1daq 1 . 1 . 77 . 1 1 5 LEU HD21 H 1.334 11.169 5.940 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_1daq 1 . 1 . 78 . 1 1 5 LEU HD22 H 2.868 10.273 5.823 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_1daq 1 . 1 . 79 . 1 1 5 LEU HD23 H 2.602 11.717 4.818 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_1daq 1 . 1 . 80 . 1 1 5 LEU HG H 2.330 9.327 3.793 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_1daq 1 . 1 . 81 . 1 1 5 LEU N N 0.830 9.264 7.125 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_1daq 1 . 1 . 82 . 1 1 5 LEU O O 3.096 7.978 6.296 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_1daq 1 . 1 . 83 . 1 1 6 TYR C C 2.797 4.389 4.209 . . . 1.0 . . . . . . . . . . . . A . 6 TYR C . . . . . . . . . rr_1daq 1 . 1 . 84 . 1 1 6 TYR CA C 2.989 5.356 5.379 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CA . . . . . . . . . rr_1daq 1 . 1 . 85 . 1 1 6 TYR CB C 3.027 4.557 6.683 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CB . . . . . . . . . rr_1daq 1 . 1 . 86 . 1 1 6 TYR CD1 C 5.460 4.004 6.318 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CD1 . . . . . . . . . rr_1daq 1 . 1 . 87 . 1 1 6 TYR CD2 C 4.076 2.375 7.389 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CD2 . . . . . . . . . rr_1daq 1 . 1 . 88 . 1 1 6 TYR CE1 C 6.589 3.116 6.428 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CE1 . . . . . . . . . rr_1daq 1 . 1 . 89 . 1 1 6 TYR CE2 C 5.205 1.489 7.500 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CE2 . . . . . . . . . rr_1daq 1 . 1 . 90 . 1 1 6 TYR CG C 4.227 3.615 6.801 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CG . . . . . . . . . rr_1daq 1 . 1 . 91 . 1 1 6 TYR CZ C 6.406 1.903 7.014 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CZ . . . . . . . . . rr_1daq 1 . 1 . 92 . 1 1 6 TYR H H 0.979 5.878 5.216 . . . 1.0 . . . . . . . . . . . . A . 6 TYR H . . . . . . . . . rr_1daq 1 . 1 . 93 . 1 1 6 TYR HA H 3.883 5.954 5.203 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HA . . . . . . . . . rr_1daq 1 . 1 . 94 . 1 1 6 TYR HB2 H 3.042 5.253 7.523 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HB2 . . . . . . . . . rr_1daq 1 . 1 . 95 . 1 1 6 TYR HB3 H 2.111 3.975 6.768 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HB3 . . . . . . . . . rr_1daq 1 . 1 . 96 . 1 1 6 TYR HD1 H 5.580 4.982 5.853 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HD1 . . . . . . . . . rr_1daq 1 . 1 . 97 . 1 1 6 TYR HD2 H 3.102 2.069 7.771 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HD2 . . . . . . . . . rr_1daq 1 . 1 . 98 . 1 1 6 TYR HE1 H 7.568 3.411 6.051 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HE1 . . . . . . . . . rr_1daq 1 . 1 . 99 . 1 1 6 TYR HE2 H 5.099 0.507 7.962 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HE2 . . . . . . . . . rr_1daq 1 . 1 . 100 . 1 1 6 TYR HH H 8.320 1.571 6.967 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HH . . . . . . . . . rr_1daq 1 . 1 . 101 . 1 1 6 TYR N N 1.859 6.261 5.497 . . . 1.0 . . . . . . . . . . . . A . 6 TYR N . . . . . . . . . rr_1daq 1 . 1 . 102 . 1 1 6 TYR O O 1.991 3.463 4.290 . . . 1.0 . . . . . . . . . . . . A . 6 TYR O . . . . . . . . . rr_1daq 1 . 1 . 103 . 1 1 6 TYR OH O 7.471 1.065 7.118 . . . 1.0 . . . . . . . . . . . . A . 6 TYR OH . . . . . . . . . rr_1daq 1 . 1 . 104 . 1 1 7 GLY C C 2.364 4.279 1.024 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . rr_1daq 1 . 1 . 105 . 1 1 7 GLY CA C 3.474 3.800 1.962 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . rr_1daq 1 . 1 . 106 . 1 1 7 GLY H H 4.204 5.391 3.091 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . rr_1daq 1 . 1 . 107 . 1 1 7 GLY HA2 H 4.430 3.816 1.440 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . rr_1daq 1 . 1 . 108 . 1 1 7 GLY HA3 H 3.287 2.766 2.254 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . rr_1daq 1 . 1 . 109 . 1 1 7 GLY N N 3.551 4.637 3.148 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . rr_1daq 1 . 1 . 110 . 1 1 7 GLY O O 1.457 3.518 0.692 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . rr_1daq 1 . 1 . 111 . 1 1 8 ASP C C 1.978 5.993 -1.714 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_1daq 1 . 1 . 112 . 1 1 8 ASP CA C 1.492 6.127 -0.270 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_1daq 1 . 1 . 113 . 1 1 8 ASP CB C 1.300 7.614 0.028 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_1daq 1 . 1 . 114 . 1 1 8 ASP CG C -0.154 8.093 0.023 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_1daq 1 . 1 . 115 . 1 1 8 ASP H H 3.217 6.148 0.899 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_1daq 1 . 1 . 116 . 1 1 8 ASP HA H 0.571 5.574 -0.086 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_1daq 1 . 1 . 117 . 1 1 8 ASP HB2 H 1.735 7.834 1.003 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_1daq 1 . 1 . 118 . 1 1 8 ASP HB3 H 1.860 8.192 -0.707 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_1daq 1 . 1 . 119 . 1 1 8 ASP N N 2.475 5.537 0.624 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_1daq 1 . 1 . 120 . 1 1 8 ASP O O 3.181 5.969 -1.968 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_1daq 1 . 1 . 121 . 1 1 8 ASP OD1 O -0.922 7.565 -0.811 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_1daq 1 . 1 . 122 . 1 1 8 ASP OD2 O -0.464 8.975 0.851 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_1daq 1 . 1 . 123 . 1 1 9 VAL C C 1.322 7.162 -4.686 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . rr_1daq 1 . 1 . 124 . 1 1 9 VAL CA C 1.331 5.776 -4.035 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . rr_1daq 1 . 1 . 125 . 1 1 9 VAL CB C 0.362 4.797 -4.698 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . rr_1daq 1 . 1 . 126 . 1 1 9 VAL CG1 C 0.617 4.707 -6.204 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . rr_1daq 1 . 1 . 127 . 1 1 9 VAL CG2 C 0.443 3.417 -4.045 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . rr_1daq 1 . 1 . 128 . 1 1 9 VAL H H 0.040 5.927 -2.407 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . rr_1daq 1 . 1 . 129 . 1 1 9 VAL HA H 2.336 5.360 -4.111 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . rr_1daq 1 . 1 . 130 . 1 1 9 VAL HB H -0.650 5.178 -4.553 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . rr_1daq 1 . 1 . 131 . 1 1 9 VAL HG11 H 1.079 5.632 -6.551 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . rr_1daq 1 . 1 . 132 . 1 1 9 VAL HG12 H 1.283 3.870 -6.410 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . rr_1daq 1 . 1 . 133 . 1 1 9 VAL HG13 H -0.329 4.556 -6.726 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . rr_1daq 1 . 1 . 134 . 1 1 9 VAL HG21 H 1.440 3.002 -4.195 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . rr_1daq 1 . 1 . 135 . 1 1 9 VAL HG22 H 0.244 3.508 -2.977 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . rr_1daq 1 . 1 . 136 . 1 1 9 VAL HG23 H -0.298 2.757 -4.497 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . rr_1daq 1 . 1 . 137 . 1 1 9 VAL N N 1.016 5.907 -2.623 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . rr_1daq 1 . 1 . 138 . 1 1 9 VAL O O 2.320 7.585 -5.267 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . rr_1daq 1 . 1 . 139 . 1 1 10 ASN C C 0.025 10.192 -4.009 . . . 1.0 . . . . . . . . . . . . A . 10 ASN C . . . . . . . . . rr_1daq 1 . 1 . 140 . 1 1 10 ASN CA C 0.032 9.157 -5.135 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CA . . . . . . . . . rr_1daq 1 . 1 . 141 . 1 1 10 ASN CB C -1.288 9.281 -5.899 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CB . . . . . . . . . rr_1daq 1 . 1 . 142 . 1 1 10 ASN CG C -2.402 8.499 -5.199 . . . 1.0 . . . . . . . . . . . . A . 10 ASN CG . . . . . . . . . rr_1daq 1 . 1 . 143 . 1 1 10 ASN H H -0.623 7.477 -4.091 . . . 1.0 . . . . . . . . . . . . A . 10 ASN H . . . . . . . . . rr_1daq 1 . 1 . 144 . 1 1 10 ASN HA H 0.880 9.278 -5.809 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HA . . . . . . . . . rr_1daq 1 . 1 . 145 . 1 1 10 ASN HB2 H -1.569 10.330 -5.978 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB2 . . . . . . . . . rr_1daq 1 . 1 . 146 . 1 1 10 ASN HB3 H -1.160 8.908 -6.915 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HB3 . . . . . . . . . rr_1daq 1 . 1 . 147 . 1 1 10 ASN HD21 H -3.390 8.418 -6.964 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD21 . . . . . . . . . rr_1daq 1 . 1 . 148 . 1 1 10 ASN HD22 H -4.186 7.646 -5.635 . . . 1.0 . . . . . . . . . . . . A . 10 ASN HD22 . . . . . . . . . rr_1daq 1 . 1 . 149 . 1 1 10 ASN N N 0.184 7.828 -4.566 . . . 1.0 . . . . . . . . . . . . A . 10 ASN N . . . . . . . . . rr_1daq 1 . 1 . 150 . 1 1 10 ASN ND2 N -3.409 8.159 -5.999 . . . 1.0 . . . . . . . . . . . . A . 10 ASN ND2 . . . . . . . . . rr_1daq 1 . 1 . 151 . 1 1 10 ASN O O -0.504 11.291 -4.174 . . . 1.0 . . . . . . . . . . . . A . 10 ASN O . . . . . . . . . rr_1daq 1 . 1 . 152 . 1 1 10 ASN OD1 O -2.350 8.222 -4.012 . . . 1.0 . . . . . . . . . . . . A . 10 ASN OD1 . . . . . . . . . rr_1daq 1 . 1 . 153 . 1 1 11 ASP C C -0.718 11.187 -1.398 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . rr_1daq 1 . 1 . 154 . 1 1 11 ASP CA C 0.687 10.686 -1.736 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . rr_1daq 1 . 1 . 155 . 1 1 11 ASP CB C 1.568 11.904 -2.025 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . rr_1daq 1 . 1 . 156 . 1 1 11 ASP CG C 2.536 12.283 -0.903 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . rr_1daq 1 . 1 . 157 . 1 1 11 ASP H H 1.046 8.909 -2.763 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . rr_1daq 1 . 1 . 158 . 1 1 11 ASP HA H 1.118 10.080 -0.938 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . rr_1daq 1 . 1 . 159 . 1 1 11 ASP HB2 H 2.141 11.711 -2.932 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . rr_1daq 1 . 1 . 160 . 1 1 11 ASP HB3 H 0.922 12.758 -2.232 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . rr_1daq 1 . 1 . 161 . 1 1 11 ASP N N 0.618 9.805 -2.889 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . rr_1daq 1 . 1 . 162 . 1 1 11 ASP O O -0.907 12.369 -1.114 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . rr_1daq 1 . 1 . 163 . 1 1 11 ASP OD1 O 3.162 11.350 -0.355 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . rr_1daq 1 . 1 . 164 . 1 1 11 ASP OD2 O 2.629 13.496 -0.619 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . rr_1daq 1 . 1 . 165 . 1 1 12 ASP C C -3.356 10.228 0.312 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . rr_1daq 1 . 1 . 166 . 1 1 12 ASP CA C -3.049 10.597 -1.140 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . rr_1daq 1 . 1 . 167 . 1 1 12 ASP CB C -4.010 9.818 -2.040 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . rr_1daq 1 . 1 . 168 . 1 1 12 ASP CG C -5.392 9.557 -1.436 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . rr_1daq 1 . 1 . 169 . 1 1 12 ASP H H -1.504 9.304 -1.670 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . rr_1daq 1 . 1 . 170 . 1 1 12 ASP HA H -3.131 11.669 -1.324 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . rr_1daq 1 . 1 . 171 . 1 1 12 ASP HB2 H -4.137 10.366 -2.973 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB2 . . . . . . . . . rr_1daq 1 . 1 . 172 . 1 1 12 ASP HB3 H -3.553 8.861 -2.291 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . rr_1daq 1 . 1 . 173 . 1 1 12 ASP N N -1.667 10.264 -1.439 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . rr_1daq 1 . 1 . 174 . 1 1 12 ASP O O -3.935 11.025 1.050 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . rr_1daq 1 . 1 . 175 . 1 1 12 ASP OD1 O -6.242 10.467 -1.548 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . rr_1daq 1 . 1 . 176 . 1 1 12 ASP OD2 O -5.567 8.452 -0.877 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . rr_1daq 1 . 1 . 177 . 1 1 13 GLY C C -2.320 7.304 2.322 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . rr_1daq 1 . 1 . 178 . 1 1 13 GLY CA C -3.180 8.536 2.032 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . rr_1daq 1 . 1 . 179 . 1 1 13 GLY H H -2.485 8.378 0.074 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . rr_1daq 1 . 1 . 180 . 1 1 13 GLY HA2 H -2.947 9.324 2.748 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . rr_1daq 1 . 1 . 181 . 1 1 13 GLY HA3 H -4.233 8.288 2.162 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . rr_1daq 1 . 1 . 182 . 1 1 13 GLY N N -2.955 9.020 0.680 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . rr_1daq 1 . 1 . 183 . 1 1 13 GLY O O -1.651 7.239 3.353 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . rr_1daq 1 . 1 . 184 . 1 1 14 LYS C C -1.730 4.301 0.263 . . . 1.0 . . . . . . . . . . . . A . 14 LYS C . . . . . . . . . rr_1daq 1 . 1 . 185 . 1 1 14 LYS CA C -1.600 5.132 1.541 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CA . . . . . . . . . rr_1daq 1 . 1 . 186 . 1 1 14 LYS CB C -2.021 4.382 2.806 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CB . . . . . . . . . rr_1daq 1 . 1 . 187 . 1 1 14 LYS CD C -3.867 5.280 4.272 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CD . . . . . . . . . rr_1daq 1 . 1 . 188 . 1 1 14 LYS CE C -5.186 6.036 4.104 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CE . . . . . . . . . rr_1daq 1 . 1 . 189 . 1 1 14 LYS CG C -3.535 4.470 3.017 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CG . . . . . . . . . rr_1daq 1 . 1 . 190 . 1 1 14 LYS H H -2.913 6.419 0.561 . . . 1.0 . . . . . . . . . . . . A . 14 LYS H . . . . . . . . . rr_1daq 1 . 1 . 191 . 1 1 14 LYS HA H -0.555 5.412 1.666 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HA . . . . . . . . . rr_1daq 1 . 1 . 192 . 1 1 14 LYS HB2 H -1.722 3.337 2.731 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB2 . . . . . . . . . rr_1daq 1 . 1 . 193 . 1 1 14 LYS HB3 H -1.505 4.801 3.670 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB3 . . . . . . . . . rr_1daq 1 . 1 . 194 . 1 1 14 LYS HD2 H -3.932 4.615 5.133 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD2 . . . . . . . . . rr_1daq 1 . 1 . 195 . 1 1 14 LYS HD3 H -3.062 5.987 4.477 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD3 . . . . . . . . . rr_1daq 1 . 1 . 196 . 1 1 14 LYS HE2 H -5.417 6.145 3.044 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE2 . . . . . . . . . rr_1daq 1 . 1 . 197 . 1 1 14 LYS HE3 H -6.000 5.464 4.550 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE3 . . . . . . . . . rr_1daq 1 . 1 . 198 . 1 1 14 LYS HG2 H -4.000 4.934 2.148 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG2 . . . . . . . . . rr_1daq 1 . 1 . 199 . 1 1 14 LYS HG3 H -3.952 3.468 3.107 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG3 . . . . . . . . . rr_1daq 1 . 1 . 200 . 1 1 14 LYS HZ1 H -4.528 7.315 5.556 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ1 . . . . . . . . . rr_1daq 1 . 1 . 201 . 1 1 14 LYS HZ2 H -4.708 8.023 4.095 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ2 . . . . . . . . . rr_1daq 1 . 1 . 202 . 1 1 14 LYS HZ3 H -6.022 7.673 4.999 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ3 . . . . . . . . . rr_1daq 1 . 1 . 203 . 1 1 14 LYS N N -2.366 6.358 1.396 . . . 1.0 . . . . . . . . . . . . A . 14 LYS N . . . . . . . . . rr_1daq 1 . 1 . 204 . 1 1 14 LYS NZ N -5.104 7.370 4.740 . . . 1.0 . . . . . . . . . . . . A . 14 LYS NZ . . . . . . . . . rr_1daq 1 . 1 . 205 . 1 1 14 LYS O O -2.506 4.642 -0.628 . . . 1.0 . . . . . . . . . . . . A . 14 LYS O . . . . . . . . . rr_1daq 1 . 1 . 206 . 1 1 15 VAL C C -2.012 1.241 -0.720 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_1daq 1 . 1 . 207 . 1 1 15 VAL CA C -0.975 2.344 -0.943 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_1daq 1 . 1 . 208 . 1 1 15 VAL CB C 0.430 1.799 -1.207 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_1daq 1 . 1 . 209 . 1 1 15 VAL CG1 C 0.894 0.899 -0.060 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_1daq 1 . 1 . 210 . 1 1 15 VAL CG2 C 0.488 1.057 -2.544 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_1daq 1 . 1 . 211 . 1 1 15 VAL H H -0.328 2.955 0.941 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_1daq 1 . 1 . 212 . 1 1 15 VAL HA H -1.274 2.939 -1.805 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_1daq 1 . 1 . 213 . 1 1 15 VAL HB H 1.112 2.646 -1.265 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_1daq 1 . 1 . 214 . 1 1 15 VAL HG11 H 1.949 0.657 -0.191 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_1daq 1 . 1 . 215 . 1 1 15 VAL HG12 H 0.756 1.418 0.888 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_1daq 1 . 1 . 216 . 1 1 15 VAL HG13 H 0.307 -0.020 -0.060 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_1daq 1 . 1 . 217 . 1 1 15 VAL HG21 H 1.388 1.350 -3.084 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_1daq 1 . 1 . 218 . 1 1 15 VAL HG22 H 0.506 -0.018 -2.362 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_1daq 1 . 1 . 219 . 1 1 15 VAL HG23 H -0.391 1.310 -3.138 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_1daq 1 . 1 . 220 . 1 1 15 VAL N N -0.957 3.226 0.212 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_1daq 1 . 1 . 221 . 1 1 15 VAL O O -1.818 0.361 0.117 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_1daq 1 . 1 . 222 . 1 1 16 ASN C C -4.788 0.135 -2.760 . . . 1.0 . . . . . . . . . . . . A . 16 ASN C . . . . . . . . . rr_1daq 1 . 1 . 223 . 1 1 16 ASN CA C -4.159 0.345 -1.382 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CA . . . . . . . . . rr_1daq 1 . 1 . 224 . 1 1 16 ASN CB C -5.256 0.824 -0.428 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CB . . . . . . . . . rr_1daq 1 . 1 . 225 . 1 1 16 ASN CG C -5.900 2.114 -0.940 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CG . . . . . . . . . rr_1daq 1 . 1 . 226 . 1 1 16 ASN H H -3.241 2.044 -2.163 . . . 1.0 . . . . . . . . . . . . A . 16 ASN H . . . . . . . . . rr_1daq 1 . 1 . 227 . 1 1 16 ASN HA H -3.683 -0.558 -0.998 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HA . . . . . . . . . rr_1daq 1 . 1 . 228 . 1 1 16 ASN HB2 H -6.016 0.050 -0.325 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HB2 . . . . . . . . . rr_1daq 1 . 1 . 229 . 1 1 16 ASN HB3 H -4.834 0.992 0.562 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HB3 . . . . . . . . . rr_1daq 1 . 1 . 230 . 1 1 16 ASN HD21 H -4.455 3.160 0.016 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HD21 . . . . . . . . . rr_1daq 1 . 1 . 231 . 1 1 16 ASN HD22 H -5.619 4.116 -0.841 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HD22 . . . . . . . . . rr_1daq 1 . 1 . 232 . 1 1 16 ASN N N -3.091 1.325 -1.484 . . . 1.0 . . . . . . . . . . . . A . 16 ASN N . . . . . . . . . rr_1daq 1 . 1 . 233 . 1 1 16 ASN ND2 N -5.272 3.221 -0.556 . . . 1.0 . . . . . . . . . . . . A . 16 ASN ND2 . . . . . . . . . rr_1daq 1 . 1 . 234 . 1 1 16 ASN O O -4.276 0.632 -3.762 . . . 1.0 . . . . . . . . . . . . A . 16 ASN O . . . . . . . . . rr_1daq 1 . 1 . 235 . 1 1 16 ASN OD1 O -6.903 2.104 -1.637 . . . 1.0 . . . . . . . . . . . . A . 16 ASN OD1 . . . . . . . . . rr_1daq 1 . 1 . 236 . 1 1 17 SER C C -6.798 0.412 -4.798 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_1daq 1 . 1 . 237 . 1 1 17 SER CA C -6.594 -0.883 -4.006 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_1daq 1 . 1 . 238 . 1 1 17 SER CB C -7.940 -1.557 -3.735 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_1daq 1 . 1 . 239 . 1 1 17 SER H H -6.300 -1.002 -1.948 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_1daq 1 . 1 . 240 . 1 1 17 SER HA H -5.949 -1.569 -4.556 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_1daq 1 . 1 . 241 . 1 1 17 SER HB2 H -7.771 -2.577 -3.391 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_1daq 1 . 1 . 242 . 1 1 17 SER HB3 H -8.453 -1.030 -2.929 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_1daq 1 . 1 . 243 . 1 1 17 SER HG H -9.410 -0.808 -4.867 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_1daq 1 . 1 . 244 . 1 1 17 SER N N -5.889 -0.601 -2.767 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_1daq 1 . 1 . 245 . 1 1 17 SER O O -6.682 0.418 -6.022 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_1daq 1 . 1 . 246 . 1 1 17 SER OG O -8.771 -1.576 -4.891 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_1daq 1 . 1 . 247 . 1 1 18 THR C C -6.146 3.132 -5.596 . . . 1.0 . . . . . . . . . . . . A . 18 THR C . . . . . . . . . rr_1daq 1 . 1 . 248 . 1 1 18 THR CA C -7.319 2.770 -4.683 . . . 1.0 . . . . . . . . . . . . A . 18 THR CA . . . . . . . . . rr_1daq 1 . 1 . 249 . 1 1 18 THR CB C -7.559 3.790 -3.568 . . . 1.0 . . . . . . . . . . . . A . 18 THR CB . . . . . . . . . rr_1daq 1 . 1 . 250 . 1 1 18 THR CG2 C -8.038 5.141 -4.104 . . . 1.0 . . . . . . . . . . . . A . 18 THR CG2 . . . . . . . . . rr_1daq 1 . 1 . 251 . 1 1 18 THR H H -7.190 1.459 -3.069 . . . 1.0 . . . . . . . . . . . . A . 18 THR H . . . . . . . . . rr_1daq 1 . 1 . 252 . 1 1 18 THR HA H -8.207 2.704 -5.313 . . . 1.0 . . . . . . . . . . . . A . 18 THR HA . . . . . . . . . rr_1daq 1 . 1 . 253 . 1 1 18 THR HB H -6.669 3.909 -2.952 . . . 1.0 . . . . . . . . . . . . A . 18 THR HB . . . . . . . . . rr_1daq 1 . 1 . 254 . 1 1 18 THR HG1 H -8.733 3.681 -1.951 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG1 . . . . . . . . . rr_1daq 1 . 1 . 255 . 1 1 18 THR HG21 H -9.047 5.338 -3.745 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG21 . . . . . . . . . rr_1daq 1 . 1 . 256 . 1 1 18 THR HG22 H -7.368 5.927 -3.756 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG22 . . . . . . . . . rr_1daq 1 . 1 . 257 . 1 1 18 THR HG23 H -8.037 5.121 -5.194 . . . 1.0 . . . . . . . . . . . . A . 18 THR HG23 . . . . . . . . . rr_1daq 1 . 1 . 258 . 1 1 18 THR N N -7.098 1.474 -4.065 . . . 1.0 . . . . . . . . . . . . A . 18 THR N . . . . . . . . . rr_1daq 1 . 1 . 259 . 1 1 18 THR O O -6.341 3.732 -6.653 . . . 1.0 . . . . . . . . . . . . A . 18 THR O . . . . . . . . . rr_1daq 1 . 1 . 260 . 1 1 18 THR OG1 O -8.688 3.277 -2.865 . . . 1.0 . . . . . . . . . . . . A . 18 THR OG1 . . . . . . . . . rr_1daq 1 . 1 . 261 . 1 1 19 ASP C C -3.362 1.786 -6.721 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . rr_1daq 1 . 1 . 262 . 1 1 19 ASP CA C -3.753 3.031 -5.921 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . rr_1daq 1 . 1 . 263 . 1 1 19 ASP CB C -2.584 3.385 -4.999 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . rr_1daq 1 . 1 . 264 . 1 1 19 ASP CG C -2.857 4.527 -4.017 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . rr_1daq 1 . 1 . 265 . 1 1 19 ASP H H -4.807 2.266 -4.296 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . rr_1daq 1 . 1 . 266 . 1 1 19 ASP HA H -4.008 3.875 -6.561 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . rr_1daq 1 . 1 . 267 . 1 1 19 ASP HB2 H -2.306 2.497 -4.432 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . rr_1daq 1 . 1 . 268 . 1 1 19 ASP HB3 H -1.724 3.654 -5.614 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . rr_1daq 1 . 1 . 269 . 1 1 19 ASP N N -4.956 2.754 -5.156 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . rr_1daq 1 . 1 . 270 . 1 1 19 ASP O O -2.196 1.606 -7.067 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . rr_1daq 1 . 1 . 271 . 1 1 19 ASP OD1 O -3.769 5.328 -4.318 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . rr_1daq 1 . 1 . 272 . 1 1 19 ASP OD2 O -2.151 4.571 -2.988 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . rr_1daq 1 . 1 . 273 . 1 1 20 ALA C C -3.733 0.090 -9.175 . . . 1.0 . . . . . . . . . . . . A . 20 ALA C . . . . . . . . . rr_1daq 1 . 1 . 274 . 1 1 20 ALA CA C -4.138 -0.264 -7.743 . . . 1.0 . . . . . . . . . . . . A . 20 ALA CA . . . . . . . . . rr_1daq 1 . 1 . 275 . 1 1 20 ALA CB C -5.397 -1.133 -7.692 . . . 1.0 . . . . . . . . . . . . A . 20 ALA CB . . . . . . . . . rr_1daq 1 . 1 . 276 . 1 1 20 ALA H H -5.308 1.113 -6.705 . . . 1.0 . . . . . . . . . . . . A . 20 ALA H . . . . . . . . . rr_1daq 1 . 1 . 277 . 1 1 20 ALA HA H -3.320 -0.802 -7.266 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HA . . . . . . . . . rr_1daq 1 . 1 . 278 . 1 1 20 ALA HB1 H -6.262 -0.536 -7.982 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB1 . . . . . . . . . rr_1daq 1 . 1 . 279 . 1 1 20 ALA HB2 H -5.287 -1.972 -8.378 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB2 . . . . . . . . . rr_1daq 1 . 1 . 280 . 1 1 20 ALA HB3 H -5.538 -1.507 -6.678 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB3 . . . . . . . . . rr_1daq 1 . 1 . 281 . 1 1 20 ALA N N -4.362 0.959 -6.991 . . . 1.0 . . . . . . . . . . . . A . 20 ALA N . . . . . . . . . rr_1daq 1 . 1 . 282 . 1 1 20 ALA O O -3.024 -0.672 -9.831 . . . 1.0 . . . . . . . . . . . . A . 20 ALA O . . . . . . . . . rr_1daq 1 . 1 . 283 . 1 1 21 VAL C C -2.376 1.789 -11.137 . . . 1.0 . . . . . . . . . . . . A . 21 VAL C . . . . . . . . . rr_1daq 1 . 1 . 284 . 1 1 21 VAL CA C -3.894 1.713 -10.962 . . . 1.0 . . . . . . . . . . . . A . 21 VAL CA . . . . . . . . . rr_1daq 1 . 1 . 285 . 1 1 21 VAL CB C -4.593 3.049 -11.225 . . . 1.0 . . . . . . . . . . . . A . 21 VAL CB . . . . . . . . . rr_1daq 1 . 1 . 286 . 1 1 21 VAL CG1 C -3.978 3.761 -12.430 . . . 1.0 . . . . . . . . . . . . A . 21 VAL CG1 . . . . . . . . . rr_1daq 1 . 1 . 287 . 1 1 21 VAL CG2 C -6.099 2.851 -11.413 . . . 1.0 . . . . . . . . . . . . A . 21 VAL CG2 . . . . . . . . . rr_1daq 1 . 1 . 288 . 1 1 21 VAL H H -4.775 1.864 -9.079 . . . 1.0 . . . . . . . . . . . . A . 21 VAL H . . . . . . . . . rr_1daq 1 . 1 . 289 . 1 1 21 VAL HA H -4.292 0.980 -11.662 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HA . . . . . . . . . rr_1daq 1 . 1 . 290 . 1 1 21 VAL HB H -4.445 3.682 -10.350 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HB . . . . . . . . . rr_1daq 1 . 1 . 291 . 1 1 21 VAL HG11 H -4.705 4.457 -12.851 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG11 . . . . . . . . . rr_1daq 1 . 1 . 292 . 1 1 21 VAL HG12 H -3.090 4.309 -12.115 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG12 . . . . . . . . . rr_1daq 1 . 1 . 293 . 1 1 21 VAL HG13 H -3.701 3.025 -13.186 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG13 . . . . . . . . . rr_1daq 1 . 1 . 294 . 1 1 21 VAL HG21 H -6.509 2.335 -10.545 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG21 . . . . . . . . . rr_1daq 1 . 1 . 295 . 1 1 21 VAL HG22 H -6.581 3.822 -11.521 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG22 . . . . . . . . . rr_1daq 1 . 1 . 296 . 1 1 21 VAL HG23 H -6.278 2.255 -12.308 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG23 . . . . . . . . . rr_1daq 1 . 1 . 297 . 1 1 21 VAL N N -4.199 1.249 -9.619 . . . 1.0 . . . . . . . . . . . . A . 21 VAL N . . . . . . . . . rr_1daq 1 . 1 . 298 . 1 1 21 VAL O O -1.814 1.118 -12.002 . . . 1.0 . . . . . . . . . . . . A . 21 VAL O . . . . . . . . . rr_1daq 1 . 1 . 299 . 1 1 22 ALA C C 0.367 1.463 -9.987 . . . 1.0 . . . . . . . . . . . . A . 22 ALA C . . . . . . . . . rr_1daq 1 . 1 . 300 . 1 1 22 ALA CA C -0.314 2.782 -10.357 . . . 1.0 . . . . . . . . . . . . A . 22 ALA CA . . . . . . . . . rr_1daq 1 . 1 . 301 . 1 1 22 ALA CB C 0.099 3.930 -9.432 . . . 1.0 . . . . . . . . . . . . A . 22 ALA CB . . . . . . . . . rr_1daq 1 . 1 . 302 . 1 1 22 ALA H H -2.221 3.153 -9.603 . . . 1.0 . . . . . . . . . . . . A . 22 ALA H . . . . . . . . . rr_1daq 1 . 1 . 303 . 1 1 22 ALA HA H -0.048 3.045 -11.381 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HA . . . . . . . . . rr_1daq 1 . 1 . 304 . 1 1 22 ALA HB1 H 0.462 4.765 -10.029 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HB1 . . . . . . . . . rr_1daq 1 . 1 . 305 . 1 1 22 ALA HB2 H -0.762 4.250 -8.845 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HB2 . . . . . . . . . rr_1daq 1 . 1 . 306 . 1 1 22 ALA HB3 H 0.888 3.591 -8.762 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HB3 . . . . . . . . . rr_1daq 1 . 1 . 307 . 1 1 22 ALA N N -1.755 2.611 -10.304 . . . 1.0 . . . . . . . . . . . . A . 22 ALA N . . . . . . . . . rr_1daq 1 . 1 . 308 . 1 1 22 ALA O O 1.523 1.236 -10.340 . . . 1.0 . . . . . . . . . . . . A . 22 ALA O . . . . . . . . . rr_1daq 1 . 1 . 309 . 1 1 23 LEU C C 0.341 -1.553 -10.088 . . . 1.0 . . . . . . . . . . . . A . 23 LEU C . . . . . . . . . rr_1daq 1 . 1 . 310 . 1 1 23 LEU CA C 0.137 -0.665 -8.860 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CA . . . . . . . . . rr_1daq 1 . 1 . 311 . 1 1 23 LEU CB C -0.772 -1.284 -7.797 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CB . . . . . . . . . rr_1daq 1 . 1 . 312 . 1 1 23 LEU CD1 C -0.201 -2.438 -5.628 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CD1 . . . . . . . . . rr_1daq 1 . 1 . 313 . 1 1 23 LEU CD2 C -1.111 -3.775 -7.583 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CD2 . . . . . . . . . rr_1daq 1 . 1 . 314 . 1 1 23 LEU CG C -0.265 -2.575 -7.151 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CG . . . . . . . . . rr_1daq 1 . 1 . 315 . 1 1 23 LEU H H -1.320 0.818 -8.998 . . . 1.0 . . . . . . . . . . . . A . 23 LEU H . . . . . . . . . rr_1daq 1 . 1 . 316 . 1 1 23 LEU HA H 1.107 -0.491 -8.393 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HA . . . . . . . . . rr_1daq 1 . 1 . 317 . 1 1 23 LEU HB2 H -0.934 -0.547 -7.010 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HB2 . . . . . . . . . rr_1daq 1 . 1 . 318 . 1 1 23 LEU HB3 H -1.743 -1.486 -8.250 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HB3 . . . . . . . . . rr_1daq 1 . 1 . 319 . 1 1 23 LEU HD11 H -0.568 -3.354 -5.164 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD11 . . . . . . . . . rr_1daq 1 . 1 . 320 . 1 1 23 LEU HD12 H 0.830 -2.263 -5.321 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD12 . . . . . . . . . rr_1daq 1 . 1 . 321 . 1 1 23 LEU HD13 H -0.822 -1.598 -5.313 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD13 . . . . . . . . . rr_1daq 1 . 1 . 322 . 1 1 23 LEU HD21 H -1.480 -3.612 -8.595 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD21 . . . . . . . . . rr_1daq 1 . 1 . 323 . 1 1 23 LEU HD22 H -0.501 -4.677 -7.559 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD22 . . . . . . . . . rr_1daq 1 . 1 . 324 . 1 1 23 LEU HD23 H -1.955 -3.888 -6.903 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD23 . . . . . . . . . rr_1daq 1 . 1 . 325 . 1 1 23 LEU HG H 0.752 -2.755 -7.500 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HG . . . . . . . . . rr_1daq 1 . 1 . 326 . 1 1 23 LEU N N -0.380 0.627 -9.281 . . . 1.0 . . . . . . . . . . . . A . 23 LEU N . . . . . . . . . rr_1daq 1 . 1 . 327 . 1 1 23 LEU O O 1.458 -1.987 -10.366 . . . 1.0 . . . . . . . . . . . . A . 23 LEU O . . . . . . . . . rr_1daq 1 . 1 . 328 . 1 1 24 LYS C C 0.488 -2.213 -12.843 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . rr_1daq 1 . 1 . 329 . 1 1 24 LYS CA C -0.710 -2.625 -11.985 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . rr_1daq 1 . 1 . 330 . 1 1 24 LYS CB C -2.047 -2.568 -12.727 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . rr_1daq 1 . 1 . 331 . 1 1 24 LYS CD C -3.526 -3.706 -14.422 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . rr_1daq 1 . 1 . 332 . 1 1 24 LYS CE C -3.729 -4.987 -15.235 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . rr_1daq 1 . 1 . 333 . 1 1 24 LYS CG C -2.144 -3.685 -13.768 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . rr_1daq 1 . 1 . 334 . 1 1 24 LYS H H -1.659 -1.438 -10.560 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . rr_1daq 1 . 1 . 335 . 1 1 24 LYS HA H -0.565 -3.656 -11.661 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . rr_1daq 1 . 1 . 336 . 1 1 24 LYS HB2 H -2.867 -2.657 -12.015 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . rr_1daq 1 . 1 . 337 . 1 1 24 LYS HB3 H -2.154 -1.600 -13.217 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . rr_1daq 1 . 1 . 338 . 1 1 24 LYS HD2 H -4.297 -3.633 -13.655 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . rr_1daq 1 . 1 . 339 . 1 1 24 LYS HD3 H -3.639 -2.838 -15.071 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . rr_1daq 1 . 1 . 340 . 1 1 24 LYS HE2 H -3.089 -4.969 -16.117 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . rr_1daq 1 . 1 . 341 . 1 1 24 LYS HE3 H -3.431 -5.851 -14.643 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . rr_1daq 1 . 1 . 342 . 1 1 24 LYS HG2 H -1.379 -3.544 -14.531 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . rr_1daq 1 . 1 . 343 . 1 1 24 LYS HG3 H -1.947 -4.647 -13.294 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . rr_1daq 1 . 1 . 344 . 1 1 24 LYS HZ1 H -5.683 -4.388 -15.231 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . rr_1daq 1 . 1 . 345 . 1 1 24 LYS HZ2 H -5.211 -5.064 -16.640 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . rr_1daq 1 . 1 . 346 . 1 1 24 LYS HZ3 H -5.497 -6.007 -15.337 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . rr_1daq 1 . 1 . 347 . 1 1 24 LYS N N -0.755 -1.796 -10.792 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . rr_1daq 1 . 1 . 348 . 1 1 24 LYS NZ N -5.145 -5.123 -15.645 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . rr_1daq 1 . 1 . 349 . 1 1 24 LYS O O 1.180 -3.063 -13.398 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . rr_1daq 1 . 1 . 350 . 1 1 25 ARG C C 3.131 -0.671 -13.015 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . rr_1daq 1 . 1 . 351 . 1 1 25 ARG CA C 1.798 -0.370 -13.703 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . rr_1daq 1 . 1 . 352 . 1 1 25 ARG CB C 1.658 1.142 -13.890 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . rr_1daq 1 . 1 . 353 . 1 1 25 ARG CD C -0.560 2.189 -14.478 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . rr_1daq 1 . 1 . 354 . 1 1 25 ARG CG C 0.676 1.467 -15.017 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . rr_1daq 1 . 1 . 355 . 1 1 25 ARG CZ C -2.347 3.220 -15.875 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . rr_1daq 1 . 1 . 356 . 1 1 25 ARG H H 0.128 -0.220 -12.468 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . rr_1daq 1 . 1 . 357 . 1 1 25 ARG HA H 1.730 -0.878 -14.665 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . rr_1daq 1 . 1 . 358 . 1 1 25 ARG HB2 H 1.312 1.595 -12.960 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . rr_1daq 1 . 1 . 359 . 1 1 25 ARG HB3 H 2.632 1.576 -14.113 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . rr_1daq 1 . 1 . 360 . 1 1 25 ARG HD2 H -1.335 1.465 -14.229 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . rr_1daq 1 . 1 . 361 . 1 1 25 ARG HD3 H -0.310 2.716 -13.558 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . rr_1daq 1 . 1 . 362 . 1 1 25 ARG HE H -0.413 3.777 -15.905 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . rr_1daq 1 . 1 . 363 . 1 1 25 ARG HG2 H 1.169 2.088 -15.765 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . rr_1daq 1 . 1 . 364 . 1 1 25 ARG HG3 H 0.374 0.546 -15.518 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . rr_1daq 1 . 1 . 365 . 1 1 25 ARG HH11 H -2.982 1.723 -14.654 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . rr_1daq 1 . 1 . 366 . 1 1 25 ARG HH12 H -4.213 2.450 -15.631 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . rr_1daq 1 . 1 . 367 . 1 1 25 ARG HH21 H -2.038 4.736 -17.194 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . rr_1daq 1 . 1 . 368 . 1 1 25 ARG HH22 H -3.673 4.175 -17.086 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . rr_1daq 1 . 1 . 369 . 1 1 25 ARG N N 0.696 -0.906 -12.923 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . rr_1daq 1 . 1 . 370 . 1 1 25 ARG NE N -1.067 3.146 -15.487 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . rr_1daq 1 . 1 . 371 . 1 1 25 ARG NH1 N -3.258 2.394 -15.342 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . rr_1daq 1 . 1 . 372 . 1 1 25 ARG NH2 N -2.717 4.120 -16.797 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . rr_1daq 1 . 1 . 373 . 1 1 25 ARG O O 4.139 -0.900 -13.681 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . rr_1daq 1 . 1 . 374 . 1 1 26 TYR C C 4.614 -2.423 -10.900 . . . 1.0 . . . . . . . . . . . . A . 26 TYR C . . . . . . . . . rr_1daq 1 . 1 . 375 . 1 1 26 TYR CA C 4.285 -0.928 -10.906 . . . 1.0 . . . . . . . . . . . . A . 26 TYR CA . . . . . . . . . rr_1daq 1 . 1 . 376 . 1 1 26 TYR CB C 3.958 -0.486 -9.478 . . . 1.0 . . . . . . . . . . . . A . 26 TYR CB . . . . . . . . . rr_1daq 1 . 1 . 377 . 1 1 26 TYR CD1 C 5.831 -1.507 -8.134 . . . 1.0 . . . . . . . . . . . . A . 26 TYR CD1 . . . . . . . . . rr_1daq 1 . 1 . 378 . 1 1 26 TYR CD2 C 5.636 0.875 -8.177 . . . 1.0 . . . . . . . . . . . . A . 26 TYR CD2 . . . . . . . . . rr_1daq 1 . 1 . 379 . 1 1 26 TYR CE1 C 6.983 -1.397 -7.277 . . . 1.0 . . . . . . . . . . . . A . 26 TYR CE1 . . . . . . . . . rr_1daq 1 . 1 . 380 . 1 1 26 TYR CE2 C 6.787 0.986 -7.320 . . . 1.0 . . . . . . . . . . . . A . 26 TYR CE2 . . . . . . . . . rr_1daq 1 . 1 . 381 . 1 1 26 TYR CG C 5.182 -0.369 -8.566 . . . 1.0 . . . . . . . . . . . . A . 26 TYR CG . . . . . . . . . rr_1daq 1 . 1 . 382 . 1 1 26 TYR CZ C 7.405 -0.156 -6.912 . . . 1.0 . . . . . . . . . . . . A . 26 TYR CZ . . . . . . . . . rr_1daq 1 . 1 . 383 . 1 1 26 TYR H H 2.268 -0.472 -11.157 . . . 1.0 . . . . . . . . . . . . A . 26 TYR H . . . . . . . . . rr_1daq 1 . 1 . 384 . 1 1 26 TYR HA H 5.114 -0.383 -11.356 . . . 1.0 . . . . . . . . . . . . A . 26 TYR HA . . . . . . . . . rr_1daq 1 . 1 . 385 . 1 1 26 TYR HB2 H 3.451 0.478 -9.514 . . . 1.0 . . . . . . . . . . . . A . 26 TYR HB2 . . . . . . . . . rr_1daq 1 . 1 . 386 . 1 1 26 TYR HB3 H 3.258 -1.197 -9.039 . . . 1.0 . . . . . . . . . . . . A . 26 TYR HB3 . . . . . . . . . rr_1daq 1 . 1 . 387 . 1 1 26 TYR HD1 H 5.473 -2.489 -8.442 . . . 1.0 . . . . . . . . . . . . A . 26 TYR HD1 . . . . . . . . . rr_1daq 1 . 1 . 388 . 1 1 26 TYR HD2 H 5.122 1.774 -8.520 . . . 1.0 . . . . . . . . . . . . A . 26 TYR HD2 . . . . . . . . . rr_1daq 1 . 1 . 389 . 1 1 26 TYR HE1 H 7.506 -2.287 -6.927 . . . 1.0 . . . . . . . . . . . . A . 26 TYR HE1 . . . . . . . . . rr_1daq 1 . 1 . 390 . 1 1 26 TYR HE2 H 7.156 1.962 -7.006 . . . 1.0 . . . . . . . . . . . . A . 26 TYR HE2 . . . . . . . . . rr_1daq 1 . 1 . 391 . 1 1 26 TYR HH H 8.577 -0.872 -5.537 . . . 1.0 . . . . . . . . . . . . A . 26 TYR HH . . . . . . . . . rr_1daq 1 . 1 . 392 . 1 1 26 TYR N N 3.092 -0.660 -11.691 . . . 1.0 . . . . . . . . . . . . A . 26 TYR N . . . . . . . . . rr_1daq 1 . 1 . 393 . 1 1 26 TYR O O 5.775 -2.807 -11.033 . . . 1.0 . . . . . . . . . . . . A . 26 TYR O . . . . . . . . . rr_1daq 1 . 1 . 394 . 1 1 26 TYR OH O 8.492 -0.052 -6.103 . . . 1.0 . . . . . . . . . . . . A . 26 TYR OH . . . . . . . . . rr_1daq 1 . 1 . 395 . 1 1 27 VAL C C 4.345 -5.130 -12.047 . . . 1.0 . . . . . . . . . . . . A . 27 VAL C . . . . . . . . . rr_1daq 1 . 1 . 396 . 1 1 27 VAL CA C 3.733 -4.669 -10.724 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CA . . . . . . . . . rr_1daq 1 . 1 . 397 . 1 1 27 VAL CB C 2.394 -5.342 -10.417 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CB . . . . . . . . . rr_1daq 1 . 1 . 398 . 1 1 27 VAL CG1 C 2.598 -6.792 -9.973 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CG1 . . . . . . . . . rr_1daq 1 . 1 . 399 . 1 1 27 VAL CG2 C 1.611 -4.552 -9.367 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CG2 . . . . . . . . . rr_1daq 1 . 1 . 400 . 1 1 27 VAL H H 2.629 -2.904 -10.640 . . . 1.0 . . . . . . . . . . . . A . 27 VAL H . . . . . . . . . rr_1daq 1 . 1 . 401 . 1 1 27 VAL HA H 4.424 -4.909 -9.915 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HA . . . . . . . . . rr_1daq 1 . 1 . 402 . 1 1 27 VAL HB H 1.807 -5.353 -11.335 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HB . . . . . . . . . rr_1daq 1 . 1 . 403 . 1 1 27 VAL HG11 H 1.629 -7.284 -9.886 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG11 . . . . . . . . . rr_1daq 1 . 1 . 404 . 1 1 27 VAL HG12 H 3.207 -7.315 -10.709 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG12 . . . . . . . . . rr_1daq 1 . 1 . 405 . 1 1 27 VAL HG13 H 3.102 -6.808 -9.007 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG13 . . . . . . . . . rr_1daq 1 . 1 . 406 . 1 1 27 VAL HG21 H 1.272 -5.227 -8.582 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG21 . . . . . . . . . rr_1daq 1 . 1 . 407 . 1 1 27 VAL HG22 H 2.253 -3.785 -8.935 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG22 . . . . . . . . . rr_1daq 1 . 1 . 408 . 1 1 27 VAL HG23 H 0.747 -4.080 -9.837 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG23 . . . . . . . . . rr_1daq 1 . 1 . 409 . 1 1 27 VAL N N 3.570 -3.225 -10.747 . . . 1.0 . . . . . . . . . . . . A . 27 VAL N . . . . . . . . . rr_1daq 1 . 1 . 410 . 1 1 27 VAL O O 5.263 -5.950 -12.059 . . . 1.0 . . . . . . . . . . . . A . 27 VAL O . . . . . . . . . rr_1daq 1 . 1 . 411 . 1 1 28 LEU C C 5.769 -4.531 -14.579 . . . 1.0 . . . . . . . . . . . . A . 28 LEU C . . . . . . . . . rr_1daq 1 . 1 . 412 . 1 1 28 LEU CA C 4.296 -4.929 -14.457 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CA . . . . . . . . . rr_1daq 1 . 1 . 413 . 1 1 28 LEU CB C 3.401 -4.308 -15.531 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CB . . . . . . . . . rr_1daq 1 . 1 . 414 . 1 1 28 LEU CD1 C 1.379 -5.319 -16.650 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CD1 . . . . . . . . . rr_1daq 1 . 1 . 415 . 1 1 28 LEU CD2 C 3.489 -4.876 -17.987 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CD2 . . . . . . . . . rr_1daq 1 . 1 . 416 . 1 1 28 LEU CG C 2.908 -5.259 -16.624 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CG . . . . . . . . . rr_1daq 1 . 1 . 417 . 1 1 28 LEU H H 3.068 -3.917 -13.113 . . . 1.0 . . . . . . . . . . . . A . 28 LEU H . . . . . . . . . rr_1daq 1 . 1 . 418 . 1 1 28 LEU HA H 4.221 -6.012 -14.561 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HA . . . . . . . . . rr_1daq 1 . 1 . 419 . 1 1 28 LEU HB2 H 2.532 -3.867 -15.042 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HB2 . . . . . . . . . rr_1daq 1 . 1 . 420 . 1 1 28 LEU HB3 H 3.948 -3.494 -16.006 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HB3 . . . . . . . . . rr_1daq 1 . 1 . 421 . 1 1 28 LEU HD11 H 1.010 -5.603 -15.666 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD11 . . . . . . . . . rr_1daq 1 . 1 . 422 . 1 1 28 LEU HD12 H 0.982 -4.340 -16.918 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD12 . . . . . . . . . rr_1daq 1 . 1 . 423 . 1 1 28 LEU HD13 H 1.057 -6.055 -17.386 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD13 . . . . . . . . . rr_1daq 1 . 1 . 424 . 1 1 28 LEU HD21 H 4.405 -5.441 -18.162 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD21 . . . . . . . . . rr_1daq 1 . 1 . 425 . 1 1 28 LEU HD22 H 2.765 -5.107 -18.768 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD22 . . . . . . . . . rr_1daq 1 . 1 . 426 . 1 1 28 LEU HD23 H 3.712 -3.810 -18.001 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD23 . . . . . . . . . rr_1daq 1 . 1 . 427 . 1 1 28 LEU HG H 3.265 -6.262 -16.392 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HG . . . . . . . . . rr_1daq 1 . 1 . 428 . 1 1 28 LEU N N 3.814 -4.583 -13.131 . . . 1.0 . . . . . . . . . . . . A . 28 LEU N . . . . . . . . . rr_1daq 1 . 1 . 429 . 1 1 28 LEU O O 6.576 -5.284 -15.123 . . . 1.0 . . . . . . . . . . . . A . 28 LEU O . . . . . . . . . rr_1daq 1 . 1 . 430 . 1 1 29 ARG C C 7.512 -1.468 -13.439 . . . 1.0 . . . . . . . . . . . . A . 29 ARG C . . . . . . . . . rr_1daq 1 . 1 . 431 . 1 1 29 ARG CA C 7.435 -2.842 -14.109 . . . 1.0 . . . . . . . . . . . . A . 29 ARG CA . . . . . . . . . rr_1daq 1 . 1 . 432 . 1 1 29 ARG CB C 7.933 -2.728 -15.550 . . . 1.0 . . . . . . . . . . . . A . 29 ARG CB . . . . . . . . . rr_1daq 1 . 1 . 433 . 1 1 29 ARG CD C 6.210 -0.968 -16.092 . . . 1.0 . . . . . . . . . . . . A . 29 ARG CD . . . . . . . . . rr_1daq 1 . 1 . 434 . 1 1 29 ARG CG C 6.798 -2.323 -16.493 . . . 1.0 . . . . . . . . . . . . A . 29 ARG CG . . . . . . . . . rr_1daq 1 . 1 . 435 . 1 1 29 ARG CZ C 5.326 0.034 -18.196 . . . 1.0 . . . . . . . . . . . . A . 29 ARG CZ . . . . . . . . . rr_1daq 1 . 1 . 436 . 1 1 29 ARG H H 5.411 -2.743 -13.624 . . . 1.0 . . . . . . . . . . . . A . 29 ARG H . . . . . . . . . rr_1daq 1 . 1 . 437 . 1 1 29 ARG HA H 8.024 -3.578 -13.562 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HA . . . . . . . . . rr_1daq 1 . 1 . 438 . 1 1 29 ARG HB2 H 8.735 -1.992 -15.605 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HB2 . . . . . . . . . rr_1daq 1 . 1 . 439 . 1 1 29 ARG HB3 H 8.354 -3.681 -15.871 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HB3 . . . . . . . . . rr_1daq 1 . 1 . 440 . 1 1 29 ARG HD2 H 5.824 -1.016 -15.075 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HD2 . . . . . . . . . rr_1daq 1 . 1 . 441 . 1 1 29 ARG HD3 H 6.990 -0.207 -16.101 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HD3 . . . . . . . . . rr_1daq 1 . 1 . 442 . 1 1 29 ARG HE H 4.187 -0.814 -16.770 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HE . . . . . . . . . rr_1daq 1 . 1 . 443 . 1 1 29 ARG HG2 H 7.170 -2.274 -17.516 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HG2 . . . . . . . . . rr_1daq 1 . 1 . 444 . 1 1 29 ARG HG3 H 6.016 -3.082 -16.474 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HG3 . . . . . . . . . rr_1daq 1 . 1 . 445 . 1 1 29 ARG HH11 H 7.348 0.127 -17.997 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HH11 . . . . . . . . . rr_1daq 1 . 1 . 446 . 1 1 29 ARG HH12 H 6.718 0.820 -19.454 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HH12 . . . . . . . . . rr_1daq 1 . 1 . 447 . 1 1 29 ARG HH21 H 3.356 0.099 -18.693 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HH21 . . . . . . . . . rr_1daq 1 . 1 . 448 . 1 1 29 ARG HH22 H 4.432 0.804 -19.853 . . . 1.0 . . . . . . . . . . . . A . 29 ARG HH22 . . . . . . . . . rr_1daq 1 . 1 . 449 . 1 1 29 ARG N N 6.073 -3.349 -14.064 . . . 1.0 . . . . . . . . . . . . A . 29 ARG N . . . . . . . . . rr_1daq 1 . 1 . 450 . 1 1 29 ARG NE N 5.127 -0.590 -17.027 . . . 1.0 . . . . . . . . . . . . A . 29 ARG NE . . . . . . . . . rr_1daq 1 . 1 . 451 . 1 1 29 ARG NH1 N 6.569 0.354 -18.582 . . . 1.0 . . . . . . . . . . . . A . 29 ARG NH1 . . . . . . . . . rr_1daq 1 . 1 . 452 . 1 1 29 ARG NH2 N 4.283 0.338 -18.981 . . . 1.0 . . . . . . . . . . . . A . 29 ARG NH2 . . . . . . . . . rr_1daq 1 . 1 . 453 . 1 1 29 ARG O O 6.507 -0.956 -12.950 . . . 1.0 . . . . . . . . . . . . A . 29 ARG O . . . . . . . . . rr_1daq 1 . 1 . 454 . 1 1 30 SER C C 8.980 1.468 -13.923 . . . 1.0 . . . . . . . . . . . . A . 30 SER C . . . . . . . . . rr_1daq 1 . 1 . 455 . 1 1 30 SER CA C 8.936 0.391 -12.837 . . . 1.0 . . . . . . . . . . . . A . 30 SER CA . . . . . . . . . rr_1daq 1 . 1 . 456 . 1 1 30 SER CB C 10.229 0.408 -12.019 . . . 1.0 . . . . . . . . . . . . A . 30 SER CB . . . . . . . . . rr_1daq 1 . 1 . 457 . 1 1 30 SER H H 9.527 -1.337 -13.838 . . . 1.0 . . . . . . . . . . . . A . 30 SER H . . . . . . . . . rr_1daq 1 . 1 . 458 . 1 1 30 SER HA H 8.086 0.552 -12.174 . . . 1.0 . . . . . . . . . . . . A . 30 SER HA . . . . . . . . . rr_1daq 1 . 1 . 459 . 1 1 30 SER HB2 H 11.058 0.078 -12.646 . . . 1.0 . . . . . . . . . . . . A . 30 SER HB2 . . . . . . . . . rr_1daq 1 . 1 . 460 . 1 1 30 SER HB3 H 10.451 1.431 -11.712 . . . 1.0 . . . . . . . . . . . . A . 30 SER HB3 . . . . . . . . . rr_1daq 1 . 1 . 461 . 1 1 30 SER HG H 9.220 -0.799 -10.784 . . . 1.0 . . . . . . . . . . . . A . 30 SER HG . . . . . . . . . rr_1daq 1 . 1 . 462 . 1 1 30 SER N N 8.715 -0.912 -13.438 . . . 1.0 . . . . . . . . . . . . A . 30 SER N . . . . . . . . . rr_1daq 1 . 1 . 463 . 1 1 30 SER O O 10.041 1.752 -14.477 . . . 1.0 . . . . . . . . . . . . A . 30 SER O . . . . . . . . . rr_1daq 1 . 1 . 464 . 1 1 30 SER OG O 10.143 -0.425 -10.867 . . . 1.0 . . . . . . . . . . . . A . 30 SER OG . . . . . . . . . rr_1daq 1 . 1 . 465 . 1 1 31 GLY C C 7.119 4.358 -14.613 . . . 1.0 . . . . . . . . . . . . A . 31 GLY C . . . . . . . . . rr_1daq 1 . 1 . 466 . 1 1 31 GLY CA C 7.708 3.076 -15.205 . . . 1.0 . . . . . . . . . . . . A . 31 GLY CA . . . . . . . . . rr_1daq 1 . 1 . 467 . 1 1 31 GLY H H 6.957 1.800 -13.740 . . . 1.0 . . . . . . . . . . . . A . 31 GLY H . . . . . . . . . rr_1daq 1 . 1 . 468 . 1 1 31 GLY HA2 H 8.692 3.284 -15.624 . . . 1.0 . . . . . . . . . . . . A . 31 GLY HA2 . . . . . . . . . rr_1daq 1 . 1 . 469 . 1 1 31 GLY HA3 H 7.078 2.728 -16.024 . . . 1.0 . . . . . . . . . . . . A . 31 GLY HA3 . . . . . . . . . rr_1daq 1 . 1 . 470 . 1 1 31 GLY N N 7.815 2.037 -14.195 . . . 1.0 . . . . . . . . . . . . A . 31 GLY N . . . . . . . . . rr_1daq 1 . 1 . 471 . 1 1 31 GLY O O 7.551 5.459 -14.952 . . . 1.0 . . . . . . . . . . . . A . 31 GLY O . . . . . . . . . rr_1daq 1 . 1 . 472 . 1 1 32 ILE C C 6.326 5.755 -11.898 . . . 1.0 . . . . . . . . . . . . A . 32 ILE C . . . . . . . . . rr_1daq 1 . 1 . 473 . 1 1 32 ILE CA C 5.488 5.300 -13.094 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CA . . . . . . . . . rr_1daq 1 . 1 . 474 . 1 1 32 ILE CB C 4.043 4.949 -12.735 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CB . . . . . . . . . rr_1daq 1 . 1 . 475 . 1 1 32 ILE CD1 C 2.661 3.755 -10.997 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CD1 . . . . . . . . . rr_1daq 1 . 1 . 476 . 1 1 32 ILE CG1 C 3.919 4.587 -11.255 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CG1 . . . . . . . . . rr_1daq 1 . 1 . 477 . 1 1 32 ILE CG2 C 3.506 3.841 -13.643 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CG2 . . . . . . . . . rr_1daq 1 . 1 . 478 . 1 1 32 ILE H H 5.795 3.275 -13.468 . . . 1.0 . . . . . . . . . . . . A . 32 ILE H . . . . . . . . . rr_1daq 1 . 1 . 479 . 1 1 32 ILE HA H 5.452 6.113 -13.820 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HA . . . . . . . . . rr_1daq 1 . 1 . 480 . 1 1 32 ILE HB H 3.426 5.831 -12.904 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HB . . . . . . . . . rr_1daq 1 . 1 . 481 . 1 1 32 ILE HD11 H 2.774 2.774 -11.460 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HD11 . . . . . . . . . rr_1daq 1 . 1 . 482 . 1 1 32 ILE HD12 H 2.518 3.635 -9.923 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HD12 . . . . . . . . . rr_1daq 1 . 1 . 483 . 1 1 32 ILE HD13 H 1.796 4.261 -11.425 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HD13 . . . . . . . . . rr_1daq 1 . 1 . 484 . 1 1 32 ILE HG12 H 4.800 4.028 -10.938 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG12 . . . . . . . . . rr_1daq 1 . 1 . 485 . 1 1 32 ILE HG13 H 3.886 5.497 -10.655 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG13 . . . . . . . . . rr_1daq 1 . 1 . 486 . 1 1 32 ILE HG21 H 3.822 4.027 -14.670 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG21 . . . . . . . . . rr_1daq 1 . 1 . 487 . 1 1 32 ILE HG22 H 3.894 2.879 -13.312 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG22 . . . . . . . . . rr_1daq 1 . 1 . 488 . 1 1 32 ILE HG23 H 2.416 3.829 -13.597 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG23 . . . . . . . . . rr_1daq 1 . 1 . 489 . 1 1 32 ILE N N 6.141 4.173 -13.738 . . . 1.0 . . . . . . . . . . . . A . 32 ILE N . . . . . . . . . rr_1daq 1 . 1 . 490 . 1 1 32 ILE O O 7.371 5.172 -11.610 . . . 1.0 . . . . . . . . . . . . A . 32 ILE O . . . . . . . . . rr_1daq 1 . 1 . 491 . 1 1 33 SER C C 5.630 7.239 -8.840 . . . 1.0 . . . . . . . . . . . . A . 33 SER C . . . . . . . . . rr_1daq 1 . 1 . 492 . 1 1 33 SER CA C 6.529 7.331 -10.074 . . . 1.0 . . . . . . . . . . . . A . 33 SER CA . . . . . . . . . rr_1daq 1 . 1 . 493 . 1 1 33 SER CB C 6.956 8.780 -10.314 . . . 1.0 . . . . . . . . . . . . A . 33 SER CB . . . . . . . . . rr_1daq 1 . 1 . 494 . 1 1 33 SER H H 4.987 7.259 -11.474 . . . 1.0 . . . . . . . . . . . . A . 33 SER H . . . . . . . . . rr_1daq 1 . 1 . 495 . 1 1 33 SER HA H 7.414 6.707 -9.951 . . . 1.0 . . . . . . . . . . . . A . 33 SER HA . . . . . . . . . rr_1daq 1 . 1 . 496 . 1 1 33 SER HB2 H 6.370 9.201 -11.132 . . . 1.0 . . . . . . . . . . . . A . 33 SER HB2 . . . . . . . . . rr_1daq 1 . 1 . 497 . 1 1 33 SER HB3 H 6.736 9.374 -9.426 . . . 1.0 . . . . . . . . . . . . A . 33 SER HB3 . . . . . . . . . rr_1daq 1 . 1 . 498 . 1 1 33 SER HG H 8.721 7.976 -10.805 . . . 1.0 . . . . . . . . . . . . A . 33 SER HG . . . . . . . . . rr_1daq 1 . 1 . 499 . 1 1 33 SER N N 5.837 6.791 -11.234 . . . 1.0 . . . . . . . . . . . . A . 33 SER N . . . . . . . . . rr_1daq 1 . 1 . 500 . 1 1 33 SER O O 4.543 7.815 -8.814 . . . 1.0 . . . . . . . . . . . . A . 33 SER O . . . . . . . . . rr_1daq 1 . 1 . 501 . 1 1 33 SER OG O 8.343 8.883 -10.623 . . . 1.0 . . . . . . . . . . . . A . 33 SER OG . . . . . . . . . rr_1daq 1 . 1 . 502 . 1 1 34 ILE C C 6.337 6.369 -5.427 . . . 1.0 . . . . . . . . . . . . A . 34 ILE C . . . . . . . . . rr_1daq 1 . 1 . 503 . 1 1 34 ILE CA C 5.370 6.336 -6.612 . . . 1.0 . . . . . . . . . . . . A . 34 ILE CA . . . . . . . . . rr_1daq 1 . 1 . 504 . 1 1 34 ILE CB C 4.519 5.066 -6.674 . . . 1.0 . . . . . . . . . . . . A . 34 ILE CB . . . . . . . . . rr_1daq 1 . 1 . 505 . 1 1 34 ILE CD1 C 4.671 2.741 -5.708 . . . 1.0 . . . . . . . . . . . . A . 34 ILE CD1 . . . . . . . . . rr_1daq 1 . 1 . 506 . 1 1 34 ILE CG1 C 5.389 3.816 -6.528 . . . 1.0 . . . . . . . . . . . . A . 34 ILE CG1 . . . . . . . . . rr_1daq 1 . 1 . 507 . 1 1 34 ILE CG2 C 3.677 5.032 -7.951 . . . 1.0 . . . . . . . . . . . . A . 34 ILE CG2 . . . . . . . . . rr_1daq 1 . 1 . 508 . 1 1 34 ILE H H 7.000 6.044 -7.875 . . . 1.0 . . . . . . . . . . . . A . 34 ILE H . . . . . . . . . rr_1daq 1 . 1 . 509 . 1 1 34 ILE HA H 4.684 7.179 -6.522 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HA . . . . . . . . . rr_1daq 1 . 1 . 510 . 1 1 34 ILE HB H 3.826 5.076 -5.832 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HB . . . . . . . . . rr_1daq 1 . 1 . 511 . 1 1 34 ILE HD11 H 3.660 2.607 -6.091 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HD11 . . . . . . . . . rr_1daq 1 . 1 . 512 . 1 1 34 ILE HD12 H 5.217 1.801 -5.784 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HD12 . . . . . . . . . rr_1daq 1 . 1 . 513 . 1 1 34 ILE HD13 H 4.626 3.051 -4.663 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HD13 . . . . . . . . . rr_1daq 1 . 1 . 514 . 1 1 34 ILE HG12 H 5.634 3.422 -7.514 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HG12 . . . . . . . . . rr_1daq 1 . 1 . 515 . 1 1 34 ILE HG13 H 6.330 4.077 -6.046 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HG13 . . . . . . . . . rr_1daq 1 . 1 . 516 . 1 1 34 ILE HG21 H 3.147 5.979 -8.062 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HG21 . . . . . . . . . rr_1daq 1 . 1 . 517 . 1 1 34 ILE HG22 H 4.328 4.878 -8.812 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HG22 . . . . . . . . . rr_1daq 1 . 1 . 518 . 1 1 34 ILE HG23 H 2.956 4.217 -7.890 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HG23 . . . . . . . . . rr_1daq 1 . 1 . 519 . 1 1 34 ILE N N 6.116 6.510 -7.846 . . . 1.0 . . . . . . . . . . . . A . 34 ILE N . . . . . . . . . rr_1daq 1 . 1 . 520 . 1 1 34 ILE O O 7.537 6.153 -5.594 . . . 1.0 . . . . . . . . . . . . A . 34 ILE O . . . . . . . . . rr_1daq 1 . 1 . 521 . 1 1 35 ASN C C 6.879 5.289 -2.559 . . . 1.0 . . . . . . . . . . . . A . 35 ASN C . . . . . . . . . rr_1daq 1 . 1 . 522 . 1 1 35 ASN CA C 6.579 6.709 -3.045 . . . 1.0 . . . . . . . . . . . . A . 35 ASN CA . . . . . . . . . rr_1daq 1 . 1 . 523 . 1 1 35 ASN CB C 5.830 7.442 -1.930 . . . 1.0 . . . . . . . . . . . . A . 35 ASN CB . . . . . . . . . rr_1daq 1 . 1 . 524 . 1 1 35 ASN CG C 4.979 8.580 -2.496 . . . 1.0 . . . . . . . . . . . . A . 35 ASN CG . . . . . . . . . rr_1daq 1 . 1 . 525 . 1 1 35 ASN H H 4.805 6.819 -4.129 . . . 1.0 . . . . . . . . . . . . A . 35 ASN H . . . . . . . . . rr_1daq 1 . 1 . 526 . 1 1 35 ASN HA H 7.482 7.254 -3.325 . . . 1.0 . . . . . . . . . . . . A . 35 ASN HA . . . . . . . . . rr_1daq 1 . 1 . 527 . 1 1 35 ASN HB2 H 5.193 6.739 -1.394 . . . 1.0 . . . . . . . . . . . . A . 35 ASN HB2 . . . . . . . . . rr_1daq 1 . 1 . 528 . 1 1 35 ASN HB3 H 6.544 7.839 -1.208 . . . 1.0 . . . . . . . . . . . . A . 35 ASN HB3 . . . . . . . . . rr_1daq 1 . 1 . 529 . 1 1 35 ASN HD21 H 3.508 7.238 -2.860 . . . 1.0 . . . . . . . . . . . . A . 35 ASN HD21 . . . . . . . . . rr_1daq 1 . 1 . 530 . 1 1 35 ASN HD22 H 3.151 8.870 -3.314 . . . 1.0 . . . . . . . . . . . . A . 35 ASN HD22 . . . . . . . . . rr_1daq 1 . 1 . 531 . 1 1 35 ASN N N 5.780 6.644 -4.256 . . . 1.0 . . . . . . . . . . . . A . 35 ASN N . . . . . . . . . rr_1daq 1 . 1 . 532 . 1 1 35 ASN ND2 N 3.780 8.198 -2.926 . . . 1.0 . . . . . . . . . . . . A . 35 ASN ND2 . . . . . . . . . rr_1daq 1 . 1 . 533 . 1 1 35 ASN O O 6.469 4.904 -1.467 . . . 1.0 . . . . . . . . . . . . A . 35 ASN O . . . . . . . . . rr_1daq 1 . 1 . 534 . 1 1 35 ASN OD1 O 5.386 9.730 -2.541 . . . 1.0 . . . . . . . . . . . . A . 35 ASN OD1 . . . . . . . . . rr_1daq 1 . 1 . 535 . 1 1 36 THR C C 8.900 3.155 -1.865 . . . 1.0 . . . . . . . . . . . . A . 36 THR C . . . . . . . . . rr_1daq 1 . 1 . 536 . 1 1 36 THR CA C 7.953 3.183 -3.067 . . . 1.0 . . . . . . . . . . . . A . 36 THR CA . . . . . . . . . rr_1daq 1 . 1 . 537 . 1 1 36 THR CB C 8.544 2.534 -4.320 . . . 1.0 . . . . . . . . . . . . A . 36 THR CB . . . . . . . . . rr_1daq 1 . 1 . 538 . 1 1 36 THR CG2 C 9.898 3.130 -4.705 . . . 1.0 . . . . . . . . . . . . A . 36 THR CG2 . . . . . . . . . rr_1daq 1 . 1 . 539 . 1 1 36 THR H H 7.924 4.872 -4.284 . . . 1.0 . . . . . . . . . . . . A . 36 THR H . . . . . . . . . rr_1daq 1 . 1 . 540 . 1 1 36 THR HA H 7.048 2.651 -2.773 . . . 1.0 . . . . . . . . . . . . A . 36 THR HA . . . . . . . . . rr_1daq 1 . 1 . 541 . 1 1 36 THR HB H 7.843 2.588 -5.154 . . . 1.0 . . . . . . . . . . . . A . 36 THR HB . . . . . . . . . rr_1daq 1 . 1 . 542 . 1 1 36 THR HG1 H 9.524 1.223 -3.169 . . . 1.0 . . . . . . . . . . . . A . 36 THR HG1 . . . . . . . . . rr_1daq 1 . 1 . 543 . 1 1 36 THR HG21 H 10.615 2.326 -4.875 . . . 1.0 . . . . . . . . . . . . A . 36 THR HG21 . . . . . . . . . rr_1daq 1 . 1 . 544 . 1 1 36 THR HG22 H 9.791 3.717 -5.618 . . . 1.0 . . . . . . . . . . . . A . 36 THR HG22 . . . . . . . . . rr_1daq 1 . 1 . 545 . 1 1 36 THR HG23 H 10.255 3.771 -3.900 . . . 1.0 . . . . . . . . . . . . A . 36 THR HG23 . . . . . . . . . rr_1daq 1 . 1 . 546 . 1 1 36 THR N N 7.593 4.551 -3.397 . . . 1.0 . . . . . . . . . . . . A . 36 THR N . . . . . . . . . rr_1daq 1 . 1 . 547 . 1 1 36 THR O O 9.183 2.090 -1.318 . . . 1.0 . . . . . . . . . . . . A . 36 THR O . . . . . . . . . rr_1daq 1 . 1 . 548 . 1 1 36 THR OG1 O 8.853 1.204 -3.911 . . . 1.0 . . . . . . . . . . . . A . 36 THR OG1 . . . . . . . . . rr_1daq 1 . 1 . 549 . 1 1 37 ASP C C 9.781 3.578 0.783 . . . 1.0 . . . . . . . . . . . . A . 37 ASP C . . . . . . . . . rr_1daq 1 . 1 . 550 . 1 1 37 ASP CA C 10.272 4.462 -0.364 . . . 1.0 . . . . . . . . . . . . A . 37 ASP CA . . . . . . . . . rr_1daq 1 . 1 . 551 . 1 1 37 ASP CB C 10.327 5.905 0.143 . . . 1.0 . . . . . . . . . . . . A . 37 ASP CB . . . . . . . . . rr_1daq 1 . 1 . 552 . 1 1 37 ASP CG C 11.545 6.707 -0.318 . . . 1.0 . . . . . . . . . . . . A . 37 ASP CG . . . . . . . . . rr_1daq 1 . 1 . 553 . 1 1 37 ASP H H 9.128 5.199 -1.941 . . . 1.0 . . . . . . . . . . . . A . 37 ASP H . . . . . . . . . rr_1daq 1 . 1 . 554 . 1 1 37 ASP HA H 11.245 4.151 -0.744 . . . 1.0 . . . . . . . . . . . . A . 37 ASP HA . . . . . . . . . rr_1daq 1 . 1 . 555 . 1 1 37 ASP HB2 H 9.424 6.423 -0.183 . . . 1.0 . . . . . . . . . . . . A . 37 ASP HB2 . . . . . . . . . rr_1daq 1 . 1 . 556 . 1 1 37 ASP HB3 H 10.311 5.893 1.233 . . . 1.0 . . . . . . . . . . . . A . 37 ASP HB3 . . . . . . . . . rr_1daq 1 . 1 . 557 . 1 1 37 ASP N N 9.364 4.337 -1.490 . . . 1.0 . . . . . . . . . . . . A . 37 ASP N . . . . . . . . . rr_1daq 1 . 1 . 558 . 1 1 37 ASP O O 10.413 2.576 1.113 . . . 1.0 . . . . . . . . . . . . A . 37 ASP O . . . . . . . . . rr_1daq 1 . 1 . 559 . 1 1 37 ASP OD1 O 12.318 6.150 -1.128 . . . 1.0 . . . . . . . . . . . . A . 37 ASP OD1 . . . . . . . . . rr_1daq 1 . 1 . 560 . 1 1 37 ASP OD2 O 11.676 7.860 0.146 . . . 1.0 . . . . . . . . . . . . A . 37 ASP OD2 . . . . . . . . . rr_1daq 1 . 1 . 561 . 1 1 38 ASN C C 6.726 2.655 2.024 . . . 1.0 . . . . . . . . . . . . A . 38 ASN C . . . . . . . . . rr_1daq 1 . 1 . 562 . 1 1 38 ASN CA C 8.074 3.235 2.462 . . . 1.0 . . . . . . . . . . . . A . 38 ASN CA . . . . . . . . . rr_1daq 1 . 1 . 563 . 1 1 38 ASN CB C 7.828 4.141 3.669 . . . 1.0 . . . . . . . . . . . . A . 38 ASN CB . . . . . . . . . rr_1daq 1 . 1 . 564 . 1 1 38 ASN CG C 7.683 5.602 3.238 . . . 1.0 . . . . . . . . . . . . A . 38 ASN CG . . . . . . . . . rr_1daq 1 . 1 . 565 . 1 1 38 ASN H H 8.149 4.795 1.084 . . . 1.0 . . . . . . . . . . . . A . 38 ASN H . . . . . . . . . rr_1daq 1 . 1 . 566 . 1 1 38 ASN HA H 8.801 2.460 2.702 . . . 1.0 . . . . . . . . . . . . A . 38 ASN HA . . . . . . . . . rr_1daq 1 . 1 . 567 . 1 1 38 ASN HB2 H 6.927 3.821 4.192 . . . 1.0 . . . . . . . . . . . . A . 38 ASN HB2 . . . . . . . . . rr_1daq 1 . 1 . 568 . 1 1 38 ASN HB3 H 8.655 4.046 4.373 . . . 1.0 . . . . . . . . . . . . A . 38 ASN HB3 . . . . . . . . . rr_1daq 1 . 1 . 569 . 1 1 38 ASN HD21 H 5.823 5.604 4.039 . . . 1.0 . . . . . . . . . . . . A . 38 ASN HD21 . . . . . . . . . rr_1daq 1 . 1 . 570 . 1 1 38 ASN HD22 H 6.320 7.098 3.319 . . . 1.0 . . . . . . . . . . . . A . 38 ASN HD22 . . . . . . . . . rr_1daq 1 . 1 . 571 . 1 1 38 ASN N N 8.657 3.979 1.358 . . . 1.0 . . . . . . . . . . . . A . 38 ASN N . . . . . . . . . rr_1daq 1 . 1 . 572 . 1 1 38 ASN ND2 N 6.512 6.146 3.558 . . . 1.0 . . . . . . . . . . . . A . 38 ASN ND2 . . . . . . . . . rr_1daq 1 . 1 . 573 . 1 1 38 ASN O O 5.747 2.723 2.766 . . . 1.0 . . . . . . . . . . . . A . 38 ASN O . . . . . . . . . rr_1daq 1 . 1 . 574 . 1 1 38 ASN OD1 O 8.574 6.195 2.653 . . . 1.0 . . . . . . . . . . . . A . 38 ASN OD1 . . . . . . . . . rr_1daq 1 . 1 . 575 . 1 1 39 ALA C C 5.505 0.007 0.565 . . . 1.0 . . . . . . . . . . . . A . 39 ALA C . . . . . . . . . rr_1daq 1 . 1 . 576 . 1 1 39 ALA CA C 5.509 1.509 0.276 . . . 1.0 . . . . . . . . . . . . A . 39 ALA CA . . . . . . . . . rr_1daq 1 . 1 . 577 . 1 1 39 ALA CB C 5.421 1.815 -1.221 . . . 1.0 . . . . . . . . . . . . A . 39 ALA CB . . . . . . . . . rr_1daq 1 . 1 . 578 . 1 1 39 ALA H H 7.520 2.049 0.225 . . . 1.0 . . . . . . . . . . . . A . 39 ALA H . . . . . . . . . rr_1daq 1 . 1 . 579 . 1 1 39 ALA HA H 4.659 1.970 0.779 . . . 1.0 . . . . . . . . . . . . A . 39 ALA HA . . . . . . . . . rr_1daq 1 . 1 . 580 . 1 1 39 ALA HB1 H 5.639 2.870 -1.389 . . . 1.0 . . . . . . . . . . . . A . 39 ALA HB1 . . . . . . . . . rr_1daq 1 . 1 . 581 . 1 1 39 ALA HB2 H 6.144 1.204 -1.760 . . . 1.0 . . . . . . . . . . . . A . 39 ALA HB2 . . . . . . . . . rr_1daq 1 . 1 . 582 . 1 1 39 ALA HB3 H 4.417 1.590 -1.579 . . . 1.0 . . . . . . . . . . . . A . 39 ALA HB3 . . . . . . . . . rr_1daq 1 . 1 . 583 . 1 1 39 ALA N N 6.720 2.100 0.821 . . . 1.0 . . . . . . . . . . . . A . 39 ALA N . . . . . . . . . rr_1daq 1 . 1 . 584 . 1 1 39 ALA O O 4.457 -0.572 0.848 . . . 1.0 . . . . . . . . . . . . A . 39 ALA O . . . . . . . . . rr_1daq 1 . 1 . 585 . 1 1 40 ASP C C 7.305 -2.222 2.173 . . . 1.0 . . . . . . . . . . . . A . 40 ASP C . . . . . . . . . rr_1daq 1 . 1 . 586 . 1 1 40 ASP CA C 6.835 -2.007 0.733 . . . 1.0 . . . . . . . . . . . . A . 40 ASP CA . . . . . . . . . rr_1daq 1 . 1 . 587 . 1 1 40 ASP CB C 7.875 -2.626 -0.203 . . . 1.0 . . . . . . . . . . . . A . 40 ASP CB . . . . . . . . . rr_1daq 1 . 1 . 588 . 1 1 40 ASP CG C 8.438 -3.972 0.258 . . . 1.0 . . . . . . . . . . . . A . 40 ASP CG . . . . . . . . . rr_1daq 1 . 1 . 589 . 1 1 40 ASP H H 7.536 -0.104 0.253 . . . 1.0 . . . . . . . . . . . . A . 40 ASP H . . . . . . . . . rr_1daq 1 . 1 . 590 . 1 1 40 ASP HA H 5.848 -2.432 0.549 . . . 1.0 . . . . . . . . . . . . A . 40 ASP HA . . . . . . . . . rr_1daq 1 . 1 . 591 . 1 1 40 ASP HB2 H 7.425 -2.755 -1.187 . . . 1.0 . . . . . . . . . . . . A . 40 ASP HB2 . . . . . . . . . rr_1daq 1 . 1 . 592 . 1 1 40 ASP HB3 H 8.701 -1.923 -0.319 . . . 1.0 . . . . . . . . . . . . A . 40 ASP HB3 . . . . . . . . . rr_1daq 1 . 1 . 593 . 1 1 40 ASP N N 6.689 -0.583 0.484 . . . 1.0 . . . . . . . . . . . . A . 40 ASP N . . . . . . . . . rr_1daq 1 . 1 . 594 . 1 1 40 ASP O O 8.023 -1.391 2.726 . . . 1.0 . . . . . . . . . . . . A . 40 ASP O . . . . . . . . . rr_1daq 1 . 1 . 595 . 1 1 40 ASP OD1 O 7.612 -4.861 0.558 . . . 1.0 . . . . . . . . . . . . A . 40 ASP OD1 . . . . . . . . . rr_1daq 1 . 1 . 596 . 1 1 40 ASP OD2 O 9.683 -4.081 0.299 . . . 1.0 . . . . . . . . . . . . A . 40 ASP OD2 . . . . . . . . . rr_1daq 1 . 1 . 597 . 1 1 41 LEU C C 7.353 -5.199 4.240 . . . 1.0 . . . . . . . . . . . . A . 41 LEU C . . . . . . . . . rr_1daq 1 . 1 . 598 . 1 1 41 LEU CA C 7.251 -3.678 4.103 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CA . . . . . . . . . rr_1daq 1 . 1 . 599 . 1 1 41 LEU CB C 6.279 -3.036 5.095 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CB . . . . . . . . . rr_1daq 1 . 1 . 600 . 1 1 41 LEU CD1 C 4.877 -1.539 3.626 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CD1 . . . . . . . . . rr_1daq 1 . 1 . 601 . 1 1 41 LEU CD2 C 5.317 -0.905 6.042 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CD2 . . . . . . . . . rr_1daq 1 . 1 . 602 . 1 1 41 LEU CG C 5.867 -1.594 4.791 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CG . . . . . . . . . rr_1daq 1 . 1 . 603 . 1 1 41 LEU H H 6.297 -4.013 2.282 . . . 1.0 . . . . . . . . . . . . A . 41 LEU H . . . . . . . . . rr_1daq 1 . 1 . 604 . 1 1 41 LEU HA H 8.234 -3.248 4.291 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HA . . . . . . . . . rr_1daq 1 . 1 . 605 . 1 1 41 LEU HB2 H 5.378 -3.648 5.140 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HB2 . . . . . . . . . rr_1daq 1 . 1 . 606 . 1 1 41 LEU HB3 H 6.732 -3.061 6.086 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HB3 . . . . . . . . . rr_1daq 1 . 1 . 607 . 1 1 41 LEU HD11 H 4.780 -2.532 3.185 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD11 . . . . . . . . . rr_1daq 1 . 1 . 608 . 1 1 41 LEU HD12 H 3.906 -1.207 3.989 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD12 . . . . . . . . . rr_1daq 1 . 1 . 609 . 1 1 41 LEU HD13 H 5.242 -0.842 2.872 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD13 . . . . . . . . . rr_1daq 1 . 1 . 610 . 1 1 41 LEU HD21 H 6.143 -0.615 6.691 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD21 . . . . . . . . . rr_1daq 1 . 1 . 611 . 1 1 41 LEU HD22 H 4.755 -0.018 5.752 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD22 . . . . . . . . . rr_1daq 1 . 1 . 612 . 1 1 41 LEU HD23 H 4.661 -1.593 6.576 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD23 . . . . . . . . . rr_1daq 1 . 1 . 613 . 1 1 41 LEU HG H 6.755 -1.042 4.484 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HG . . . . . . . . . rr_1daq 1 . 1 . 614 . 1 1 41 LEU N N 6.881 -3.343 2.738 . . . 1.0 . . . . . . . . . . . . A . 41 LEU N . . . . . . . . . rr_1daq 1 . 1 . 615 . 1 1 41 LEU O O 7.301 -5.730 5.348 . . . 1.0 . . . . . . . . . . . . A . 41 LEU O . . . . . . . . . rr_1daq 1 . 1 . 616 . 1 1 42 ASN C C 8.388 -7.733 1.835 . . . 1.0 . . . . . . . . . . . . A . 42 ASN C . . . . . . . . . rr_1daq 1 . 1 . 617 . 1 1 42 ASN CA C 7.606 -7.304 3.077 . . . 1.0 . . . . . . . . . . . . A . 42 ASN CA . . . . . . . . . rr_1daq 1 . 1 . 618 . 1 1 42 ASN CB C 6.225 -7.961 3.017 . . . 1.0 . . . . . . . . . . . . A . 42 ASN CB . . . . . . . . . rr_1daq 1 . 1 . 619 . 1 1 42 ASN CG C 5.158 -7.050 3.628 . . . 1.0 . . . . . . . . . . . . A . 42 ASN CG . . . . . . . . . rr_1daq 1 . 1 . 620 . 1 1 42 ASN H H 7.537 -5.415 2.201 . . . 1.0 . . . . . . . . . . . . A . 42 ASN H . . . . . . . . . rr_1daq 1 . 1 . 621 . 1 1 42 ASN HA H 8.117 -7.566 4.003 . . . 1.0 . . . . . . . . . . . . A . 42 ASN HA . . . . . . . . . rr_1daq 1 . 1 . 622 . 1 1 42 ASN HB2 H 5.969 -8.182 1.981 . . . 1.0 . . . . . . . . . . . . A . 42 ASN HB2 . . . . . . . . . rr_1daq 1 . 1 . 623 . 1 1 42 ASN HB3 H 6.247 -8.910 3.550 . . . 1.0 . . . . . . . . . . . . A . 42 ASN HB3 . . . . . . . . . rr_1daq 1 . 1 . 624 . 1 1 42 ASN HD21 H 4.558 -8.604 4.778 . . . 1.0 . . . . . . . . . . . . A . 42 ASN HD21 . . . . . . . . . rr_1daq 1 . 1 . 625 . 1 1 42 ASN HD22 H 3.674 -7.131 5.003 . . . 1.0 . . . . . . . . . . . . A . 42 ASN HD22 . . . . . . . . . rr_1daq 1 . 1 . 626 . 1 1 42 ASN N N 7.496 -5.855 3.099 . . . 1.0 . . . . . . . . . . . . A . 42 ASN N . . . . . . . . . rr_1daq 1 . 1 . 627 . 1 1 42 ASN ND2 N 4.401 -7.644 4.545 . . . 1.0 . . . . . . . . . . . . A . 42 ASN ND2 . . . . . . . . . rr_1daq 1 . 1 . 628 . 1 1 42 ASN O O 8.286 -8.878 1.397 . . . 1.0 . . . . . . . . . . . . A . 42 ASN O . . . . . . . . . rr_1daq 1 . 1 . 629 . 1 1 42 ASN OD1 O 5.030 -5.885 3.287 . . . 1.0 . . . . . . . . . . . . A . 42 ASN OD1 . . . . . . . . . rr_1daq 1 . 1 . 630 . 1 1 43 GLU C C 9.058 -7.529 -1.032 . . . 1.0 . . . . . . . . . . . . A . 43 GLU C . . . . . . . . . rr_1daq 1 . 1 . 631 . 1 1 43 GLU CA C 9.952 -7.058 0.116 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CA . . . . . . . . . rr_1daq 1 . 1 . 632 . 1 1 43 GLU CB C 11.048 -8.084 0.415 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CB . . . . . . . . . rr_1daq 1 . 1 . 633 . 1 1 43 GLU CD C 13.536 -8.473 0.537 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CD . . . . . . . . . rr_1daq 1 . 1 . 634 . 1 1 43 GLU CG C 12.428 -7.424 0.424 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CG . . . . . . . . . rr_1daq 1 . 1 . 635 . 1 1 43 GLU H H 9.230 -5.863 1.662 . . . 1.0 . . . . . . . . . . . . A . 43 GLU H . . . . . . . . . rr_1daq 1 . 1 . 636 . 1 1 43 GLU HA H 10.415 -6.106 -0.140 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HA . . . . . . . . . rr_1daq 1 . 1 . 637 . 1 1 43 GLU HB2 H 10.859 -8.554 1.381 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HB2 . . . . . . . . . rr_1daq 1 . 1 . 638 . 1 1 43 GLU HB3 H 11.024 -8.875 -0.334 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HB3 . . . . . . . . . rr_1daq 1 . 1 . 639 . 1 1 43 GLU HG2 H 12.563 -6.843 -0.487 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HG2 . . . . . . . . . rr_1daq 1 . 1 . 640 . 1 1 43 GLU HG3 H 12.496 -6.727 1.260 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HG3 . . . . . . . . . rr_1daq 1 . 1 . 641 . 1 1 43 GLU N N 9.152 -6.792 1.301 . . . 1.0 . . . . . . . . . . . . A . 43 GLU N . . . . . . . . . rr_1daq 1 . 1 . 642 . 1 1 43 GLU O O 9.347 -8.538 -1.675 . . . 1.0 . . . . . . . . . . . . A . 43 GLU O . . . . . . . . . rr_1daq 1 . 1 . 643 . 1 1 43 GLU OE1 O 13.803 -8.897 1.682 . . . 1.0 . . . . . . . . . . . . A . 43 GLU OE1 . . . . . . . . . rr_1daq 1 . 1 . 644 . 1 1 43 GLU OE2 O 14.091 -8.827 -0.525 . . . 1.0 . . . . . . . . . . . . A . 43 GLU OE2 . . . . . . . . . rr_1daq 1 . 1 . 645 . 1 1 44 ASP C C 7.006 -5.955 -3.323 . . . 1.0 . . . . . . . . . . . . A . 44 ASP C . . . . . . . . . rr_1daq 1 . 1 . 646 . 1 1 44 ASP CA C 7.053 -7.105 -2.316 . . . 1.0 . . . . . . . . . . . . A . 44 ASP CA . . . . . . . . . rr_1daq 1 . 1 . 647 . 1 1 44 ASP CB C 5.641 -7.305 -1.760 . . . 1.0 . . . . . . . . . . . . A . 44 ASP CB . . . . . . . . . rr_1daq 1 . 1 . 648 . 1 1 44 ASP CG C 5.578 -7.900 -0.352 . . . 1.0 . . . . . . . . . . . . A . 44 ASP CG . . . . . . . . . rr_1daq 1 . 1 . 649 . 1 1 44 ASP H H 7.762 -5.959 -0.728 . . . 1.0 . . . . . . . . . . . . A . 44 ASP H . . . . . . . . . rr_1daq 1 . 1 . 650 . 1 1 44 ASP HA H 7.428 -8.030 -2.755 . . . 1.0 . . . . . . . . . . . . A . 44 ASP HA . . . . . . . . . rr_1daq 1 . 1 . 651 . 1 1 44 ASP HB2 H 5.129 -6.342 -1.755 . . . 1.0 . . . . . . . . . . . . A . 44 ASP HB2 . . . . . . . . . rr_1daq 1 . 1 . 652 . 1 1 44 ASP HB3 H 5.089 -7.955 -2.439 . . . 1.0 . . . . . . . . . . . . A . 44 ASP HB3 . . . . . . . . . rr_1daq 1 . 1 . 653 . 1 1 44 ASP N N 7.991 -6.777 -1.256 . . . 1.0 . . . . . . . . . . . . A . 44 ASP N . . . . . . . . . rr_1daq 1 . 1 . 654 . 1 1 44 ASP O O 6.876 -6.183 -4.525 . . . 1.0 . . . . . . . . . . . . A . 44 ASP O . . . . . . . . . rr_1daq 1 . 1 . 655 . 1 1 44 ASP OD1 O 6.414 -8.786 -0.072 . . . 1.0 . . . . . . . . . . . . A . 44 ASP OD1 . . . . . . . . . rr_1daq 1 . 1 . 656 . 1 1 44 ASP OD2 O 4.696 -7.454 0.413 . . . 1.0 . . . . . . . . . . . . A . 44 ASP OD2 . . . . . . . . . rr_1daq 1 . 1 . 657 . 1 1 45 GLY C C 6.030 -2.565 -3.145 . . . 1.0 . . . . . . . . . . . . A . 45 GLY C . . . . . . . . . rr_1daq 1 . 1 . 658 . 1 1 45 GLY CA C 7.088 -3.558 -3.634 . . . 1.0 . . . . . . . . . . . . A . 45 GLY CA . . . . . . . . . rr_1daq 1 . 1 . 659 . 1 1 45 GLY H H 7.221 -4.567 -1.817 . . . 1.0 . . . . . . . . . . . . A . 45 GLY H . . . . . . . . . rr_1daq 1 . 1 . 660 . 1 1 45 GLY HA2 H 8.068 -3.082 -3.630 . . . 1.0 . . . . . . . . . . . . A . 45 GLY HA2 . . . . . . . . . rr_1daq 1 . 1 . 661 . 1 1 45 GLY HA3 H 6.875 -3.841 -4.665 . . . 1.0 . . . . . . . . . . . . A . 45 GLY HA3 . . . . . . . . . rr_1daq 1 . 1 . 662 . 1 1 45 GLY N N 7.115 -4.744 -2.796 . . . 1.0 . . . . . . . . . . . . A . 45 GLY N . . . . . . . . . rr_1daq 1 . 1 . 663 . 1 1 45 GLY O O 6.344 -1.412 -2.856 . . . 1.0 . . . . . . . . . . . . A . 45 GLY O . . . . . . . . . rr_1daq 1 . 1 . 664 . 1 1 46 ARG C C 2.685 -3.061 -1.836 . . . 1.0 . . . . . . . . . . . . A . 46 ARG C . . . . . . . . . rr_1daq 1 . 1 . 665 . 1 1 46 ARG CA C 3.695 -2.221 -2.620 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CA . . . . . . . . . rr_1daq 1 . 1 . 666 . 1 1 46 ARG CB C 2.987 -1.558 -3.803 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CB . . . . . . . . . rr_1daq 1 . 1 . 667 . 1 1 46 ARG CD C 4.336 -0.850 -5.814 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CD . . . . . . . . . rr_1daq 1 . 1 . 668 . 1 1 46 ARG CG C 3.857 -0.457 -4.414 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CG . . . . . . . . . rr_1daq 1 . 1 . 669 . 1 1 46 ARG CZ C 4.109 -3.298 -6.223 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CZ . . . . . . . . . rr_1daq 1 . 1 . 670 . 1 1 46 ARG H H 4.553 -3.991 -3.306 . . . 1.0 . . . . . . . . . . . . A . 46 ARG H . . . . . . . . . rr_1daq 1 . 1 . 671 . 1 1 46 ARG HA H 4.154 -1.465 -1.982 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HA . . . . . . . . . rr_1daq 1 . 1 . 672 . 1 1 46 ARG HB2 H 2.758 -2.307 -4.560 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HB2 . . . . . . . . . rr_1daq 1 . 1 . 673 . 1 1 46 ARG HB3 H 2.038 -1.136 -3.474 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HB3 . . . . . . . . . rr_1daq 1 . 1 . 674 . 1 1 46 ARG HD2 H 3.519 -0.748 -6.529 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HD2 . . . . . . . . . rr_1daq 1 . 1 . 675 . 1 1 46 ARG HD3 H 5.130 -0.178 -6.138 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HD3 . . . . . . . . . rr_1daq 1 . 1 . 676 . 1 1 46 ARG HE H 5.754 -2.415 -5.470 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HE . . . . . . . . . rr_1daq 1 . 1 . 677 . 1 1 46 ARG HG2 H 3.289 0.471 -4.469 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HG2 . . . . . . . . . rr_1daq 1 . 1 . 678 . 1 1 46 ARG HG3 H 4.716 -0.269 -3.772 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HG3 . . . . . . . . . rr_1daq 1 . 1 . 679 . 1 1 46 ARG HH11 H 2.469 -2.201 -6.713 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH11 . . . . . . . . . rr_1daq 1 . 1 . 680 . 1 1 46 ARG HH12 H 2.327 -3.904 -6.992 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH12 . . . . . . . . . rr_1daq 1 . 1 . 681 . 1 1 46 ARG HH21 H 5.567 -4.663 -5.837 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH21 . . . . . . . . . rr_1daq 1 . 1 . 682 . 1 1 46 ARG HH22 H 4.101 -5.314 -6.491 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH22 . . . . . . . . . rr_1daq 1 . 1 . 683 . 1 1 46 ARG N N 4.800 -3.051 -3.068 . . . 1.0 . . . . . . . . . . . . A . 46 ARG N . . . . . . . . . rr_1daq 1 . 1 . 684 . 1 1 46 ARG NE N 4.828 -2.246 -5.807 . . . 1.0 . . . . . . . . . . . . A . 46 ARG NE . . . . . . . . . rr_1daq 1 . 1 . 685 . 1 1 46 ARG NH1 N 2.862 -3.120 -6.682 . . . 1.0 . . . . . . . . . . . . A . 46 ARG NH1 . . . . . . . . . rr_1daq 1 . 1 . 686 . 1 1 46 ARG NH2 N 4.637 -4.529 -6.180 . . . 1.0 . . . . . . . . . . . . A . 46 ARG NH2 . . . . . . . . . rr_1daq 1 . 1 . 687 . 1 1 46 ARG O O 2.829 -3.246 -0.629 . . . 1.0 . . . . . . . . . . . . A . 46 ARG O . . . . . . . . . rr_1daq 1 . 1 . 688 . 1 1 47 VAL C C 0.164 -5.406 -2.952 . . . 1.0 . . . . . . . . . . . . A . 47 VAL C . . . . . . . . . rr_1daq 1 . 1 . 689 . 1 1 47 VAL CA C 0.649 -4.364 -1.942 . . . 1.0 . . . . . . . . . . . . A . 47 VAL CA . . . . . . . . . rr_1daq 1 . 1 . 690 . 1 1 47 VAL CB C -0.477 -3.472 -1.415 . . . 1.0 . . . . . . . . . . . . A . 47 VAL CB . . . . . . . . . rr_1daq 1 . 1 . 691 . 1 1 47 VAL CG1 C 0.039 -2.517 -0.337 . . . 1.0 . . . . . . . . . . . . A . 47 VAL CG1 . . . . . . . . . rr_1daq 1 . 1 . 692 . 1 1 47 VAL CG2 C -1.147 -2.703 -2.556 . . . 1.0 . . . . . . . . . . . . A . 47 VAL CG2 . . . . . . . . . rr_1daq 1 . 1 . 693 . 1 1 47 VAL H H 1.573 -3.392 -3.537 . . . 1.0 . . . . . . . . . . . . A . 47 VAL H . . . . . . . . . rr_1daq 1 . 1 . 694 . 1 1 47 VAL HA H 1.097 -4.879 -1.092 . . . 1.0 . . . . . . . . . . . . A . 47 VAL HA . . . . . . . . . rr_1daq 1 . 1 . 695 . 1 1 47 VAL HB H -1.229 -4.117 -0.959 . . . 1.0 . . . . . . . . . . . . A . 47 VAL HB . . . . . . . . . rr_1daq 1 . 1 . 696 . 1 1 47 VAL HG11 H 0.757 -1.825 -0.779 . . . 1.0 . . . . . . . . . . . . A . 47 VAL HG11 . . . . . . . . . rr_1daq 1 . 1 . 697 . 1 1 47 VAL HG12 H -0.796 -1.955 0.080 . . . 1.0 . . . . . . . . . . . . A . 47 VAL HG12 . . . . . . . . . rr_1daq 1 . 1 . 698 . 1 1 47 VAL HG13 H 0.525 -3.088 0.453 . . . 1.0 . . . . . . . . . . . . A . 47 VAL HG13 . . . . . . . . . rr_1daq 1 . 1 . 699 . 1 1 47 VAL HG21 H -1.854 -3.355 -3.068 . . . 1.0 . . . . . . . . . . . . A . 47 VAL HG21 . . . . . . . . . rr_1daq 1 . 1 . 700 . 1 1 47 VAL HG22 H -1.676 -1.840 -2.150 . . . 1.0 . . . . . . . . . . . . A . 47 VAL HG22 . . . . . . . . . rr_1daq 1 . 1 . 701 . 1 1 47 VAL HG23 H -0.388 -2.364 -3.261 . . . 1.0 . . . . . . . . . . . . A . 47 VAL HG23 . . . . . . . . . rr_1daq 1 . 1 . 702 . 1 1 47 VAL N N 1.684 -3.547 -2.555 . . . 1.0 . . . . . . . . . . . . A . 47 VAL N . . . . . . . . . rr_1daq 1 . 1 . 703 . 1 1 47 VAL O O -0.808 -5.175 -3.669 . . . 1.0 . . . . . . . . . . . . A . 47 VAL O . . . . . . . . . rr_1daq 1 . 1 . 704 . 1 1 48 ASN C C -0.802 -8.247 -3.433 . . . 1.0 . . . . . . . . . . . . A . 48 ASN C . . . . . . . . . rr_1daq 1 . 1 . 705 . 1 1 48 ASN CA C 0.515 -7.611 -3.883 . . . 1.0 . . . . . . . . . . . . A . 48 ASN CA . . . . . . . . . rr_1daq 1 . 1 . 706 . 1 1 48 ASN CB C 1.590 -8.699 -3.883 . . . 1.0 . . . . . . . . . . . . A . 48 ASN CB . . . . . . . . . rr_1daq 1 . 1 . 707 . 1 1 48 ASN CG C 2.794 -8.280 -4.729 . . . 1.0 . . . . . . . . . . . . A . 48 ASN CG . . . . . . . . . rr_1daq 1 . 1 . 708 . 1 1 48 ASN H H 1.651 -6.711 -2.386 . . . 1.0 . . . . . . . . . . . . A . 48 ASN H . . . . . . . . . rr_1daq 1 . 1 . 709 . 1 1 48 ASN HA H 0.438 -7.143 -4.865 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HA . . . . . . . . . rr_1daq 1 . 1 . 710 . 1 1 48 ASN HB2 H 1.911 -8.897 -2.860 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HB2 . . . . . . . . . rr_1daq 1 . 1 . 711 . 1 1 48 ASN HB3 H 1.172 -9.628 -4.272 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HB3 . . . . . . . . . rr_1daq 1 . 1 . 712 . 1 1 48 ASN HD21 H 2.582 -6.398 -4.014 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HD21 . . . . . . . . . rr_1daq 1 . 1 . 713 . 1 1 48 ASN HD22 H 3.888 -6.624 -5.130 . . . 1.0 . . . . . . . . . . . . A . 48 ASN HD22 . . . . . . . . . rr_1daq 1 . 1 . 714 . 1 1 48 ASN N N 0.862 -6.531 -2.974 . . . 1.0 . . . . . . . . . . . . A . 48 ASN N . . . . . . . . . rr_1daq 1 . 1 . 715 . 1 1 48 ASN ND2 N 3.115 -6.994 -4.615 . . . 1.0 . . . . . . . . . . . . A . 48 ASN ND2 . . . . . . . . . rr_1daq 1 . 1 . 716 . 1 1 48 ASN O O -1.585 -8.712 -4.259 . . . 1.0 . . . . . . . . . . . . A . 48 ASN O . . . . . . . . . rr_1daq 1 . 1 . 717 . 1 1 48 ASN OD1 O 3.391 -9.071 -5.440 . . . 1.0 . . . . . . . . . . . . A . 48 ASN OD1 . . . . . . . . . rr_1daq 1 . 1 . 718 . 1 1 49 SER C C -2.048 -8.990 -0.041 . . . 1.0 . . . . . . . . . . . . A . 49 SER C . . . . . . . . . rr_1daq 1 . 1 . 719 . 1 1 49 SER CA C -2.213 -8.819 -1.553 . . . 1.0 . . . . . . . . . . . . A . 49 SER CA . . . . . . . . . rr_1daq 1 . 1 . 720 . 1 1 49 SER CB C -2.548 -10.161 -2.206 . . . 1.0 . . . . . . . . . . . . A . 49 SER CB . . . . . . . . . rr_1daq 1 . 1 . 721 . 1 1 49 SER H H -0.363 -7.867 -1.458 . . . 1.0 . . . . . . . . . . . . A . 49 SER H . . . . . . . . . rr_1daq 1 . 1 . 722 . 1 1 49 SER HA H -3.003 -8.101 -1.773 . . . 1.0 . . . . . . . . . . . . A . 49 SER HA . . . . . . . . . rr_1daq 1 . 1 . 723 . 1 1 49 SER HB2 H -1.751 -10.438 -2.896 . . . 1.0 . . . . . . . . . . . . A . 49 SER HB2 . . . . . . . . . rr_1daq 1 . 1 . 724 . 1 1 49 SER HB3 H -2.591 -10.936 -1.441 . . . 1.0 . . . . . . . . . . . . A . 49 SER HB3 . . . . . . . . . rr_1daq 1 . 1 . 725 . 1 1 49 SER HG H -3.649 -9.744 -3.825 . . . 1.0 . . . . . . . . . . . . A . 49 SER HG . . . . . . . . . rr_1daq 1 . 1 . 726 . 1 1 49 SER N N -1.005 -8.247 -2.123 . . . 1.0 . . . . . . . . . . . . A . 49 SER N . . . . . . . . . rr_1daq 1 . 1 . 727 . 1 1 49 SER O O -3.021 -8.908 0.706 . . . 1.0 . . . . . . . . . . . . A . 49 SER O . . . . . . . . . rr_1daq 1 . 1 . 728 . 1 1 49 SER OG O -3.788 -10.119 -2.908 . . . 1.0 . . . . . . . . . . . . A . 49 SER OG . . . . . . . . . rr_1daq 1 . 1 . 729 . 1 1 50 THR C C -0.600 -8.076 2.517 . . . 1.0 . . . . . . . . . . . . A . 50 THR C . . . . . . . . . rr_1daq 1 . 1 . 730 . 1 1 50 THR CA C -0.503 -9.410 1.772 . . . 1.0 . . . . . . . . . . . . A . 50 THR CA . . . . . . . . . rr_1daq 1 . 1 . 731 . 1 1 50 THR CB C 0.876 -10.065 1.875 . . . 1.0 . . . . . . . . . . . . A . 50 THR CB . . . . . . . . . rr_1daq 1 . 1 . 732 . 1 1 50 THR CG2 C 1.377 -10.149 3.318 . . . 1.0 . . . . . . . . . . . . A . 50 THR CG2 . . . . . . . . . rr_1daq 1 . 1 . 733 . 1 1 50 THR H H -0.022 -9.291 -0.252 . . . 1.0 . . . . . . . . . . . . A . 50 THR H . . . . . . . . . rr_1daq 1 . 1 . 734 . 1 1 50 THR HA H -1.254 -10.073 2.202 . . . 1.0 . . . . . . . . . . . . A . 50 THR HA . . . . . . . . . rr_1daq 1 . 1 . 735 . 1 1 50 THR HB H 1.599 -9.552 1.241 . . . 1.0 . . . . . . . . . . . . A . 50 THR HB . . . . . . . . . rr_1daq 1 . 1 . 736 . 1 1 50 THR HG1 H 0.673 -11.516 0.513 . . . 1.0 . . . . . . . . . . . . A . 50 THR HG1 . . . . . . . . . rr_1daq 1 . 1 . 737 . 1 1 50 THR HG21 H 2.047 -9.313 3.520 . . . 1.0 . . . . . . . . . . . . A . 50 THR HG21 . . . . . . . . . rr_1daq 1 . 1 . 738 . 1 1 50 THR HG22 H 0.527 -10.108 4.001 . . . 1.0 . . . . . . . . . . . . A . 50 THR HG22 . . . . . . . . . rr_1daq 1 . 1 . 739 . 1 1 50 THR HG23 H 1.913 -11.087 3.462 . . . 1.0 . . . . . . . . . . . . A . 50 THR HG23 . . . . . . . . . rr_1daq 1 . 1 . 740 . 1 1 50 THR N N -0.809 -9.226 0.363 . . . 1.0 . . . . . . . . . . . . A . 50 THR N . . . . . . . . . rr_1daq 1 . 1 . 741 . 1 1 50 THR O O -1.253 -7.989 3.556 . . . 1.0 . . . . . . . . . . . . A . 50 THR O . . . . . . . . . rr_1daq 1 . 1 . 742 . 1 1 50 THR OG1 O 0.644 -11.422 1.508 . . . 1.0 . . . . . . . . . . . . A . 50 THR OG1 . . . . . . . . . rr_1daq 1 . 1 . 743 . 1 1 51 ASP C C -1.284 -5.066 2.264 . . . 1.0 . . . . . . . . . . . . A . 51 ASP C . . . . . . . . . rr_1daq 1 . 1 . 744 . 1 1 51 ASP CA C 0.055 -5.749 2.555 . . . 1.0 . . . . . . . . . . . . A . 51 ASP CA . . . . . . . . . rr_1daq 1 . 1 . 745 . 1 1 51 ASP CB C 1.167 -4.877 1.970 . . . 1.0 . . . . . . . . . . . . A . 51 ASP CB . . . . . . . . . rr_1daq 1 . 1 . 746 . 1 1 51 ASP CG C 2.581 -5.244 2.423 . . . 1.0 . . . . . . . . . . . . A . 51 ASP CG . . . . . . . . . rr_1daq 1 . 1 . 747 . 1 1 51 ASP H H 0.586 -7.153 1.111 . . . 1.0 . . . . . . . . . . . . A . 51 ASP H . . . . . . . . . rr_1daq 1 . 1 . 748 . 1 1 51 ASP HA H 0.214 -5.916 3.621 . . . 1.0 . . . . . . . . . . . . A . 51 ASP HA . . . . . . . . . rr_1daq 1 . 1 . 749 . 1 1 51 ASP HB2 H 1.122 -4.937 0.883 . . . 1.0 . . . . . . . . . . . . A . 51 ASP HB2 . . . . . . . . . rr_1daq 1 . 1 . 750 . 1 1 51 ASP HB3 H 0.973 -3.839 2.239 . . . 1.0 . . . . . . . . . . . . A . 51 ASP HB3 . . . . . . . . . rr_1daq 1 . 1 . 751 . 1 1 51 ASP N N 0.058 -7.073 1.957 . . . 1.0 . . . . . . . . . . . . A . 51 ASP N . . . . . . . . . rr_1daq 1 . 1 . 752 . 1 1 51 ASP O O -1.865 -4.431 3.142 . . . 1.0 . . . . . . . . . . . . A . 51 ASP O . . . . . . . . . rr_1daq 1 . 1 . 753 . 1 1 51 ASP OD1 O 2.860 -6.461 2.483 . . . 1.0 . . . . . . . . . . . . A . 51 ASP OD1 . . . . . . . . . rr_1daq 1 . 1 . 754 . 1 1 51 ASP OD2 O 3.353 -4.299 2.698 . . . 1.0 . . . . . . . . . . . . A . 51 ASP OD2 . . . . . . . . . rr_1daq 1 . 1 . 755 . 1 1 52 LEU C C -4.012 -4.753 1.742 . . . 1.0 . . . . . . . . . . . . A . 52 LEU C . . . . . . . . . rr_1daq 1 . 1 . 756 . 1 1 52 LEU CA C -2.992 -4.626 0.609 . . . 1.0 . . . . . . . . . . . . A . 52 LEU CA . . . . . . . . . rr_1daq 1 . 1 . 757 . 1 1 52 LEU CB C -3.461 -5.240 -0.713 . . . 1.0 . . . . . . . . . . . . A . 52 LEU CB . . . . . . . . . rr_1daq 1 . 1 . 758 . 1 1 52 LEU CD1 C -5.886 -4.586 -0.490 . . . 1.0 . . . . . . . . . . . . A . 52 LEU CD1 . . . . . . . . . rr_1daq 1 . 1 . 759 . 1 1 52 LEU CD2 C -5.209 -6.462 -2.058 . . . 1.0 . . . . . . . . . . . . A . 52 LEU CD2 . . . . . . . . . rr_1daq 1 . 1 . 760 . 1 1 52 LEU CG C -4.908 -5.734 -0.746 . . . 1.0 . . . . . . . . . . . . A . 52 LEU CG . . . . . . . . . rr_1daq 1 . 1 . 761 . 1 1 52 LEU H H -1.254 -5.739 0.318 . . . 1.0 . . . . . . . . . . . . A . 52 LEU H . . . . . . . . . rr_1daq 1 . 1 . 762 . 1 1 52 LEU HA H -2.808 -3.568 0.425 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HA . . . . . . . . . rr_1daq 1 . 1 . 763 . 1 1 52 LEU HB2 H -3.333 -4.497 -1.501 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HB2 . . . . . . . . . rr_1daq 1 . 1 . 764 . 1 1 52 LEU HB3 H -2.806 -6.077 -0.954 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HB3 . . . . . . . . . rr_1daq 1 . 1 . 765 . 1 1 52 LEU HD11 H -6.666 -4.919 0.194 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HD11 . . . . . . . . . rr_1daq 1 . 1 . 766 . 1 1 52 LEU HD12 H -5.351 -3.744 -0.050 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HD12 . . . . . . . . . rr_1daq 1 . 1 . 767 . 1 1 52 LEU HD13 H -6.338 -4.276 -1.433 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HD13 . . . . . . . . . rr_1daq 1 . 1 . 768 . 1 1 52 LEU HD21 H -4.273 -6.754 -2.534 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HD21 . . . . . . . . . rr_1daq 1 . 1 . 769 . 1 1 52 LEU HD22 H -5.805 -7.351 -1.852 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HD22 . . . . . . . . . rr_1daq 1 . 1 . 770 . 1 1 52 LEU HD23 H -5.763 -5.799 -2.722 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HD23 . . . . . . . . . rr_1daq 1 . 1 . 771 . 1 1 52 LEU HG H -5.041 -6.456 0.060 . . . 1.0 . . . . . . . . . . . . A . 52 LEU HG . . . . . . . . . rr_1daq 1 . 1 . 772 . 1 1 52 LEU N N -1.733 -5.220 1.027 . . . 1.0 . . . . . . . . . . . . A . 52 LEU N . . . . . . . . . rr_1daq 1 . 1 . 773 . 1 1 52 LEU O O -4.655 -3.773 2.115 . . . 1.0 . . . . . . . . . . . . A . 52 LEU O . . . . . . . . . rr_1daq 1 . 1 . 774 . 1 1 53 GLY C C -4.742 -5.372 4.562 . . . 1.0 . . . . . . . . . . . . A . 53 GLY C . . . . . . . . . rr_1daq 1 . 1 . 775 . 1 1 53 GLY CA C -5.059 -6.236 3.340 . . . 1.0 . . . . . . . . . . . . A . 53 GLY CA . . . . . . . . . rr_1daq 1 . 1 . 776 . 1 1 53 GLY H H -3.602 -6.760 1.948 . . . 1.0 . . . . . . . . . . . . A . 53 GLY H . . . . . . . . . rr_1daq 1 . 1 . 777 . 1 1 53 GLY HA2 H -6.078 -6.039 3.006 . . . 1.0 . . . . . . . . . . . . A . 53 GLY HA2 . . . . . . . . . rr_1daq 1 . 1 . 778 . 1 1 53 GLY HA3 H -5.012 -7.289 3.613 . . . 1.0 . . . . . . . . . . . . A . 53 GLY HA3 . . . . . . . . . rr_1daq 1 . 1 . 779 . 1 1 53 GLY N N -4.129 -5.968 2.257 . . . 1.0 . . . . . . . . . . . . A . 53 GLY N . . . . . . . . . rr_1daq 1 . 1 . 780 . 1 1 53 GLY O O -5.548 -4.533 4.960 . . . 1.0 . . . . . . . . . . . . A . 53 GLY O . . . . . . . . . rr_1daq 1 . 1 . 781 . 1 1 54 ILE C C -3.369 -3.367 6.056 . . . 1.0 . . . . . . . . . . . . A . 54 ILE C . . . . . . . . . rr_1daq 1 . 1 . 782 . 1 1 54 ILE CA C -3.130 -4.860 6.292 . . . 1.0 . . . . . . . . . . . . A . 54 ILE CA . . . . . . . . . rr_1daq 1 . 1 . 783 . 1 1 54 ILE CB C -1.681 -5.204 6.639 . . . 1.0 . . . . . . . . . . . . A . 54 ILE CB . . . . . . . . . rr_1daq 1 . 1 . 784 . 1 1 54 ILE CD1 C -1.898 -5.387 9.144 . . . 1.0 . . . . . . . . . . . . A . 54 ILE CD1 . . . . . . . . . rr_1daq 1 . 1 . 785 . 1 1 54 ILE CG1 C -1.613 -6.143 7.845 . . . 1.0 . . . . . . . . . . . . A . 54 ILE CG1 . . . . . . . . . rr_1daq 1 . 1 . 786 . 1 1 54 ILE CG2 C -0.853 -3.935 6.852 . . . 1.0 . . . . . . . . . . . . A . 54 ILE CG2 . . . . . . . . . rr_1daq 1 . 1 . 787 . 1 1 54 ILE H H -2.914 -6.291 4.792 . . . 1.0 . . . . . . . . . . . . A . 54 ILE H . . . . . . . . . rr_1daq 1 . 1 . 788 . 1 1 54 ILE HA H -3.747 -5.180 7.132 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HA . . . . . . . . . rr_1daq 1 . 1 . 789 . 1 1 54 ILE HB H -1.244 -5.735 5.793 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HB . . . . . . . . . rr_1daq 1 . 1 . 790 . 1 1 54 ILE HD11 H -1.680 -6.033 9.995 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HD11 . . . . . . . . . rr_1daq 1 . 1 . 791 . 1 1 54 ILE HD12 H -1.271 -4.498 9.192 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HD12 . . . . . . . . . rr_1daq 1 . 1 . 792 . 1 1 54 ILE HD13 H -2.948 -5.094 9.171 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HD13 . . . . . . . . . rr_1daq 1 . 1 . 793 . 1 1 54 ILE HG12 H -2.336 -6.950 7.722 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HG12 . . . . . . . . . rr_1daq 1 . 1 . 794 . 1 1 54 ILE HG13 H -0.627 -6.603 7.897 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HG13 . . . . . . . . . rr_1daq 1 . 1 . 795 . 1 1 54 ILE HG21 H -0.616 -3.489 5.888 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HG21 . . . . . . . . . rr_1daq 1 . 1 . 796 . 1 1 54 ILE HG22 H -1.423 -3.225 7.451 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HG22 . . . . . . . . . rr_1daq 1 . 1 . 797 . 1 1 54 ILE HG23 H 0.072 -4.188 7.372 . . . 1.0 . . . . . . . . . . . . A . 54 ILE HG23 . . . . . . . . . rr_1daq 1 . 1 . 798 . 1 1 54 ILE N N -3.565 -5.607 5.123 . . . 1.0 . . . . . . . . . . . . A . 54 ILE N . . . . . . . . . rr_1daq 1 . 1 . 799 . 1 1 54 ILE O O -3.655 -2.626 6.995 . . . 1.0 . . . . . . . . . . . . A . 54 ILE O . . . . . . . . . rr_1daq 1 . 1 . 800 . 1 1 55 LEU C C -4.901 -1.196 4.672 . . . 1.0 . . . . . . . . . . . . A . 55 LEU C . . . . . . . . . rr_1daq 1 . 1 . 801 . 1 1 55 LEU CA C -3.442 -1.582 4.427 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CA . . . . . . . . . rr_1daq 1 . 1 . 802 . 1 1 55 LEU CB C -2.974 -1.337 2.991 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CB . . . . . . . . . rr_1daq 1 . 1 . 803 . 1 1 55 LEU CD1 C -1.432 0.656 3.067 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CD1 . . . . . . . . . rr_1daq 1 . 1 . 804 . 1 1 55 LEU CD2 C -0.583 -1.640 3.733 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CD2 . . . . . . . . . rr_1daq 1 . 1 . 805 . 1 1 55 LEU CG C -1.532 -0.852 2.828 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CG . . . . . . . . . rr_1daq 1 . 1 . 806 . 1 1 55 LEU H H -3.010 -3.583 4.040 . . . 1.0 . . . . . . . . . . . . A . 55 LEU H . . . . . . . . . rr_1daq 1 . 1 . 807 . 1 1 55 LEU HA H -2.811 -0.976 5.079 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HA . . . . . . . . . rr_1daq 1 . 1 . 808 . 1 1 55 LEU HB2 H -3.089 -2.265 2.430 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HB2 . . . . . . . . . rr_1daq 1 . 1 . 809 . 1 1 55 LEU HB3 H -3.638 -0.604 2.533 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HB3 . . . . . . . . . rr_1daq 1 . 1 . 810 . 1 1 55 LEU HD11 H -0.429 0.902 3.418 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD11 . . . . . . . . . rr_1daq 1 . 1 . 811 . 1 1 55 LEU HD12 H -1.630 1.185 2.135 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD12 . . . . . . . . . rr_1daq 1 . 1 . 812 . 1 1 55 LEU HD13 H -2.163 0.955 3.817 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD13 . . . . . . . . . rr_1daq 1 . 1 . 813 . 1 1 55 LEU HD21 H -0.025 -2.361 3.134 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD21 . . . . . . . . . rr_1daq 1 . 1 . 814 . 1 1 55 LEU HD22 H 0.112 -0.954 4.216 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD22 . . . . . . . . . rr_1daq 1 . 1 . 815 . 1 1 55 LEU HD23 H -1.159 -2.167 4.493 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD23 . . . . . . . . . rr_1daq 1 . 1 . 816 . 1 1 55 LEU HG H -1.224 -1.037 1.799 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HG . . . . . . . . . rr_1daq 1 . 1 . 817 . 1 1 55 LEU N N -3.243 -2.972 4.798 . . . 1.0 . . . . . . . . . . . . A . 55 LEU N . . . . . . . . . rr_1daq 1 . 1 . 818 . 1 1 55 LEU O O -5.188 -0.314 5.480 . . . 1.0 . . . . . . . . . . . . A . 55 LEU O . . . . . . . . . rr_1daq 1 . 1 . 819 . 1 1 56 LYS C C -7.669 -2.001 5.497 . . . 1.0 . . . . . . . . . . . . A . 56 LYS C . . . . . . . . . rr_1daq 1 . 1 . 820 . 1 1 56 LYS CA C -7.211 -1.617 4.089 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CA . . . . . . . . . rr_1daq 1 . 1 . 821 . 1 1 56 LYS CB C -7.988 -2.321 2.975 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CB . . . . . . . . . rr_1daq 1 . 1 . 822 . 1 1 56 LYS CD C -9.599 -4.216 3.391 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CD . . . . . . . . . rr_1daq 1 . 1 . 823 . 1 1 56 LYS CE C -9.809 -5.185 4.557 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CE . . . . . . . . . rr_1daq 1 . 1 . 824 . 1 1 56 LYS CG C -8.128 -3.817 3.267 . . . 1.0 . . . . . . . . . . . . A . 56 LYS CG . . . . . . . . . rr_1daq 1 . 1 . 825 . 1 1 56 LYS H H -5.547 -2.592 3.303 . . . 1.0 . . . . . . . . . . . . A . 56 LYS H . . . . . . . . . rr_1daq 1 . 1 . 826 . 1 1 56 LYS HA H -7.361 -0.545 3.957 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HA . . . . . . . . . rr_1daq 1 . 1 . 827 . 1 1 56 LYS HB2 H -8.976 -1.873 2.875 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HB2 . . . . . . . . . rr_1daq 1 . 1 . 828 . 1 1 56 LYS HB3 H -7.477 -2.179 2.023 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HB3 . . . . . . . . . rr_1daq 1 . 1 . 829 . 1 1 56 LYS HD2 H -10.211 -3.326 3.539 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HD2 . . . . . . . . . rr_1daq 1 . 1 . 830 . 1 1 56 LYS HD3 H -9.934 -4.681 2.462 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HD3 . . . . . . . . . rr_1daq 1 . 1 . 831 . 1 1 56 LYS HE2 H -8.876 -5.701 4.779 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HE2 . . . . . . . . . rr_1daq 1 . 1 . 832 . 1 1 56 LYS HE3 H -10.089 -4.629 5.452 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HE3 . . . . . . . . . rr_1daq 1 . 1 . 833 . 1 1 56 LYS HG2 H -7.658 -4.392 2.470 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HG2 . . . . . . . . . rr_1daq 1 . 1 . 834 . 1 1 56 LYS HG3 H -7.602 -4.062 4.189 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HG3 . . . . . . . . . rr_1daq 1 . 1 . 835 . 1 1 56 LYS HZ1 H -10.720 -7.002 4.765 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HZ1 . . . . . . . . . rr_1daq 1 . 1 . 836 . 1 1 56 LYS HZ2 H -11.760 -5.785 4.444 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HZ2 . . . . . . . . . rr_1daq 1 . 1 . 837 . 1 1 56 LYS HZ3 H -10.821 -6.391 3.254 . . . 1.0 . . . . . . . . . . . . A . 56 LYS HZ3 . . . . . . . . . rr_1daq 1 . 1 . 838 . 1 1 56 LYS N N -5.787 -1.876 3.959 . . . 1.0 . . . . . . . . . . . . A . 56 LYS N . . . . . . . . . rr_1daq 1 . 1 . 839 . 1 1 56 LYS NZ N -10.863 -6.171 4.229 . . . 1.0 . . . . . . . . . . . . A . 56 LYS NZ . . . . . . . . . rr_1daq 1 . 1 . 840 . 1 1 56 LYS O O -8.824 -1.782 5.859 . . . 1.0 . . . . . . . . . . . . A . 56 LYS O . . . . . . . . . rr_1daq 1 . 1 . 841 . 1 1 57 ARG C C -6.704 -1.859 8.596 . . . 1.0 . . . . . . . . . . . . A . 57 ARG C . . . . . . . . . rr_1daq 1 . 1 . 842 . 1 1 57 ARG CA C -7.034 -2.985 7.613 . . . 1.0 . . . . . . . . . . . . A . 57 ARG CA . . . . . . . . . rr_1daq 1 . 1 . 843 . 1 1 57 ARG CB C -6.235 -4.233 7.991 . . . 1.0 . . . . . . . . . . . . A . 57 ARG CB . . . . . . . . . rr_1daq 1 . 1 . 844 . 1 1 57 ARG CD C -6.536 -6.239 9.491 . . . 1.0 . . . . . . . . . . . . A . 57 ARG CD . . . . . . . . . rr_1daq 1 . 1 . 845 . 1 1 57 ARG CG C -7.167 -5.380 8.393 . . . 1.0 . . . . . . . . . . . . A . 57 ARG CG . . . . . . . . . rr_1daq 1 . 1 . 846 . 1 1 57 ARG CZ C -7.206 -8.255 10.793 . . . 1.0 . . . . . . . . . . . . A . 57 ARG CZ . . . . . . . . . rr_1daq 1 . 1 . 847 . 1 1 57 ARG H H -5.803 -2.743 5.950 . . . 1.0 . . . . . . . . . . . . A . 57 ARG H . . . . . . . . . rr_1daq 1 . 1 . 848 . 1 1 57 ARG HA H -8.101 -3.204 7.613 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HA . . . . . . . . . rr_1daq 1 . 1 . 849 . 1 1 57 ARG HB2 H -5.615 -4.542 7.149 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HB2 . . . . . . . . . rr_1daq 1 . 1 . 850 . 1 1 57 ARG HB3 H -5.560 -4.002 8.815 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HB3 . . . . . . . . . rr_1daq 1 . 1 . 851 . 1 1 57 ARG HD2 H -5.542 -6.564 9.183 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HD2 . . . . . . . . . rr_1daq 1 . 1 . 852 . 1 1 57 ARG HD3 H -6.412 -5.650 10.399 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HD3 . . . . . . . . . rr_1daq 1 . 1 . 853 . 1 1 57 ARG HE H -8.150 -7.599 9.141 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HE . . . . . . . . . rr_1daq 1 . 1 . 854 . 1 1 57 ARG HG2 H -8.116 -4.975 8.744 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HG2 . . . . . . . . . rr_1daq 1 . 1 . 855 . 1 1 57 ARG HG3 H -7.385 -5.997 7.522 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HG3 . . . . . . . . . rr_1daq 1 . 1 . 856 . 1 1 57 ARG HH11 H -5.584 -7.271 11.526 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HH11 . . . . . . . . . rr_1daq 1 . 1 . 857 . 1 1 57 ARG HH12 H -6.063 -8.675 12.421 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HH12 . . . . . . . . . rr_1daq 1 . 1 . 858 . 1 1 57 ARG HH21 H -8.782 -9.451 10.320 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HH21 . . . . . . . . . rr_1daq 1 . 1 . 859 . 1 1 57 ARG HH22 H -7.894 -9.923 11.731 . . . 1.0 . . . . . . . . . . . . A . 57 ARG HH22 . . . . . . . . . rr_1daq 1 . 1 . 860 . 1 1 57 ARG N N -6.740 -2.567 6.253 . . . 1.0 . . . . . . . . . . . . A . 57 ARG N . . . . . . . . . rr_1daq 1 . 1 . 861 . 1 1 57 ARG NE N -7.389 -7.417 9.763 . . . 1.0 . . . . . . . . . . . . A . 57 ARG NE . . . . . . . . . rr_1daq 1 . 1 . 862 . 1 1 57 ARG NH1 N -6.199 -8.049 11.653 . . . 1.0 . . . . . . . . . . . . A . 57 ARG NH1 . . . . . . . . . rr_1daq 1 . 1 . 863 . 1 1 57 ARG NH2 N -8.030 -9.298 10.962 . . . 1.0 . . . . . . . . . . . . A . 57 ARG NH2 . . . . . . . . . rr_1daq 1 . 1 . 864 . 1 1 57 ARG O O -7.503 -1.546 9.478 . . . 1.0 . . . . . . . . . . . . A . 57 ARG O . . . . . . . . . rr_1daq 1 . 1 . 865 . 1 1 58 TYR C C -5.500 1.158 8.706 . . . 1.0 . . . . . . . . . . . . A . 58 TYR C . . . . . . . . . rr_1daq 1 . 1 . 866 . 1 1 58 TYR CA C -5.080 -0.200 9.272 . . . 1.0 . . . . . . . . . . . . A . 58 TYR CA . . . . . . . . . rr_1daq 1 . 1 . 867 . 1 1 58 TYR CB C -3.552 -0.279 9.292 . . . 1.0 . . . . . . . . . . . . A . 58 TYR CB . . . . . . . . . rr_1daq 1 . 1 . 868 . 1 1 58 TYR CD1 C -2.941 1.980 8.352 . . . 1.0 . . . . . . . . . . . . A . 58 TYR CD1 . . . . . . . . . rr_1daq 1 . 1 . 869 . 1 1 58 TYR CD2 C -2.181 0.029 7.198 . . . 1.0 . . . . . . . . . . . . A . 58 TYR CD2 . . . . . . . . . rr_1daq 1 . 1 . 870 . 1 1 58 TYR CE1 C -2.298 2.812 7.368 . . . 1.0 . . . . . . . . . . . . A . 58 TYR CE1 . . . . . . . . . rr_1daq 1 . 1 . 871 . 1 1 58 TYR CE2 C -1.538 0.861 6.214 . . . 1.0 . . . . . . . . . . . . A . 58 TYR CE2 . . . . . . . . . rr_1daq 1 . 1 . 872 . 1 1 58 TYR CG C -2.869 0.605 8.246 . . . 1.0 . . . . . . . . . . . . A . 58 TYR CG . . . . . . . . . rr_1daq 1 . 1 . 873 . 1 1 58 TYR CZ C -1.629 2.212 6.347 . . . 1.0 . . . . . . . . . . . . A . 58 TYR CZ . . . . . . . . . rr_1daq 1 . 1 . 874 . 1 1 58 TYR H H -4.881 -1.544 7.693 . . . 1.0 . . . . . . . . . . . . A . 58 TYR H . . . . . . . . . rr_1daq 1 . 1 . 875 . 1 1 58 TYR HA H -5.540 -0.336 10.250 . . . 1.0 . . . . . . . . . . . . A . 58 TYR HA . . . . . . . . . rr_1daq 1 . 1 . 876 . 1 1 58 TYR HB2 H -3.196 0.006 10.282 . . . 1.0 . . . . . . . . . . . . A . 58 TYR HB2 . . . . . . . . . rr_1daq 1 . 1 . 877 . 1 1 58 TYR HB3 H -3.249 -1.314 9.131 . . . 1.0 . . . . . . . . . . . . A . 58 TYR HB3 . . . . . . . . . rr_1daq 1 . 1 . 878 . 1 1 58 TYR HD1 H -3.484 2.435 9.180 . . . 1.0 . . . . . . . . . . . . A . 58 TYR HD1 . . . . . . . . . rr_1daq 1 . 1 . 879 . 1 1 58 TYR HD2 H -2.124 -1.056 7.115 . . . 1.0 . . . . . . . . . . . . A . 58 TYR HD2 . . . . . . . . . rr_1daq 1 . 1 . 880 . 1 1 58 TYR HE1 H -2.347 3.898 7.439 . . . 1.0 . . . . . . . . . . . . A . 58 TYR HE1 . . . . . . . . . rr_1daq 1 . 1 . 881 . 1 1 58 TYR HE2 H -0.992 0.419 5.381 . . . 1.0 . . . . . . . . . . . . A . 58 TYR HE2 . . . . . . . . . rr_1daq 1 . 1 . 882 . 1 1 58 TYR HH H -1.149 3.962 5.651 . . . 1.0 . . . . . . . . . . . . A . 58 TYR HH . . . . . . . . . rr_1daq 1 . 1 . 883 . 1 1 58 TYR N N -5.525 -1.284 8.412 . . . 1.0 . . . . . . . . . . . . A . 58 TYR N . . . . . . . . . rr_1daq 1 . 1 . 884 . 1 1 58 TYR O O -5.793 2.085 9.460 . . . 1.0 . . . . . . . . . . . . A . 58 TYR O . . . . . . . . . rr_1daq 1 . 1 . 885 . 1 1 58 TYR OH O -1.022 2.998 5.418 . . . 1.0 . . . . . . . . . . . . A . 58 TYR OH . . . . . . . . . rr_1daq 1 . 1 . 886 . 1 1 59 ILE C C -7.388 2.724 6.937 . . . 1.0 . . . . . . . . . . . . A . 59 ILE C . . . . . . . . . rr_1daq 1 . 1 . 887 . 1 1 59 ILE CA C -5.898 2.461 6.709 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CA . . . . . . . . . rr_1daq 1 . 1 . 888 . 1 1 59 ILE CB C -5.505 2.404 5.230 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CB . . . . . . . . . rr_1daq 1 . 1 . 889 . 1 1 59 ILE CD1 C -7.383 2.523 3.552 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CD1 . . . . . . . . . rr_1daq 1 . 1 . 890 . 1 1 59 ILE CG1 C -6.525 1.601 4.421 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CG1 . . . . . . . . . rr_1daq 1 . 1 . 891 . 1 1 59 ILE CG2 C -4.084 1.862 5.062 . . . 1.0 . . . . . . . . . . . . A . 59 ILE CG2 . . . . . . . . . rr_1daq 1 . 1 . 892 . 1 1 59 ILE H H -5.279 0.474 6.778 . . . 1.0 . . . . . . . . . . . . A . 59 ILE H . . . . . . . . . rr_1daq 1 . 1 . 893 . 1 1 59 ILE HA H -5.331 3.273 7.162 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HA . . . . . . . . . rr_1daq 1 . 1 . 894 . 1 1 59 ILE HB H -5.509 3.420 4.837 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HB . . . . . . . . . rr_1daq 1 . 1 . 895 . 1 1 59 ILE HD11 H -7.755 1.968 2.690 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HD11 . . . . . . . . . rr_1daq 1 . 1 . 896 . 1 1 59 ILE HD12 H -8.226 2.893 4.136 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HD12 . . . . . . . . . rr_1daq 1 . 1 . 897 . 1 1 59 ILE HD13 H -6.780 3.365 3.210 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HD13 . . . . . . . . . rr_1daq 1 . 1 . 898 . 1 1 59 ILE HG12 H -6.007 0.880 3.791 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG12 . . . . . . . . . rr_1daq 1 . 1 . 899 . 1 1 59 ILE HG13 H -7.165 1.034 5.097 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG13 . . . . . . . . . rr_1daq 1 . 1 . 900 . 1 1 59 ILE HG21 H -4.062 1.153 4.234 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG21 . . . . . . . . . rr_1daq 1 . 1 . 901 . 1 1 59 ILE HG22 H -3.402 2.685 4.853 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG22 . . . . . . . . . rr_1daq 1 . 1 . 902 . 1 1 59 ILE HG23 H -3.777 1.358 5.979 . . . 1.0 . . . . . . . . . . . . A . 59 ILE HG23 . . . . . . . . . rr_1daq 1 . 1 . 903 . 1 1 59 ILE N N -5.518 1.232 7.384 . . . 1.0 . . . . . . . . . . . . A . 59 ILE N . . . . . . . . . rr_1daq 1 . 1 . 904 . 1 1 59 ILE O O -7.893 3.792 6.597 . . . 1.0 . . . . . . . . . . . . A . 59 ILE O . . . . . . . . . rr_1daq 1 . 1 . 905 . 1 1 60 LEU C C -9.721 3.075 8.664 . . . 1.0 . . . . . . . . . . . . A . 60 LEU C . . . . . . . . . rr_1daq 1 . 1 . 906 . 1 1 60 LEU CA C -9.471 1.842 7.793 . . . 1.0 . . . . . . . . . . . . A . 60 LEU CA . . . . . . . . . rr_1daq 1 . 1 . 907 . 1 1 60 LEU CB C -10.001 0.542 8.402 . . . 1.0 . . . . . . . . . . . . A . 60 LEU CB . . . . . . . . . rr_1daq 1 . 1 . 908 . 1 1 60 LEU CD1 C -11.709 -0.548 6.900 . . . 1.0 . . . . . . . . . . . . A . 60 LEU CD1 . . . . . . . . . rr_1daq 1 . 1 . 909 . 1 1 60 LEU CD2 C -12.098 -0.436 9.404 . . . 1.0 . . . . . . . . . . . . A . 60 LEU CD2 . . . . . . . . . rr_1daq 1 . 1 . 910 . 1 1 60 LEU CG C -11.487 0.255 8.184 . . . 1.0 . . . . . . . . . . . . A . 60 LEU CG . . . . . . . . . rr_1daq 1 . 1 . 911 . 1 1 60 LEU H H -7.631 0.866 7.788 . . . 1.0 . . . . . . . . . . . . A . 60 LEU H . . . . . . . . . rr_1daq 1 . 1 . 912 . 1 1 60 LEU HA H -9.982 1.982 6.840 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HA . . . . . . . . . rr_1daq 1 . 1 . 913 . 1 1 60 LEU HB2 H -9.426 -0.289 7.991 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HB2 . . . . . . . . . rr_1daq 1 . 1 . 914 . 1 1 60 LEU HB3 H -9.809 0.562 9.475 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HB3 . . . . . . . . . rr_1daq 1 . 1 . 915 . 1 1 60 LEU HD11 H -12.644 -1.102 6.974 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HD11 . . . . . . . . . rr_1daq 1 . 1 . 916 . 1 1 60 LEU HD12 H -11.754 0.132 6.049 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HD12 . . . . . . . . . rr_1daq 1 . 1 . 917 . 1 1 60 LEU HD13 H -10.883 -1.247 6.762 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HD13 . . . . . . . . . rr_1daq 1 . 1 . 918 . 1 1 60 LEU HD21 H -11.327 -1.007 9.922 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HD21 . . . . . . . . . rr_1daq 1 . 1 . 919 . 1 1 60 LEU HD22 H -12.508 0.315 10.079 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HD22 . . . . . . . . . rr_1daq 1 . 1 . 920 . 1 1 60 LEU HD23 H -12.893 -1.108 9.081 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HD23 . . . . . . . . . rr_1daq 1 . 1 . 921 . 1 1 60 LEU HG H -12.004 1.207 8.060 . . . 1.0 . . . . . . . . . . . . A . 60 LEU HG . . . . . . . . . rr_1daq 1 . 1 . 922 . 1 1 60 LEU N N -8.050 1.731 7.514 . . . 1.0 . . . . . . . . . . . . A . 60 LEU N . . . . . . . . . rr_1daq 1 . 1 . 923 . 1 1 60 LEU O O -10.729 3.760 8.502 . . . 1.0 . . . . . . . . . . . . A . 60 LEU O . . . . . . . . . rr_1daq 1 . 1 . 924 . 1 1 61 LYS C C -7.641 4.529 11.345 . . . 1.0 . . . . . . . . . . . . A . 61 LYS C . . . . . . . . . rr_1daq 1 . 1 . 925 . 1 1 61 LYS CA C -8.892 4.458 10.466 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CA . . . . . . . . . rr_1daq 1 . 1 . 926 . 1 1 61 LYS CB C -10.198 4.397 11.258 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CB . . . . . . . . . rr_1daq 1 . 1 . 927 . 1 1 61 LYS CD C -10.297 1.900 11.595 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CD . . . . . . . . . rr_1daq 1 . 1 . 928 . 1 1 61 LYS CE C -10.952 0.876 12.525 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CE . . . . . . . . . rr_1daq 1 . 1 . 929 . 1 1 61 LYS CG C -10.166 3.260 12.281 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CG . . . . . . . . . rr_1daq 1 . 1 . 930 . 1 1 61 LYS H H -7.968 2.759 9.695 . . . 1.0 . . . . . . . . . . . . A . 61 LYS H . . . . . . . . . rr_1daq 1 . 1 . 931 . 1 1 61 LYS HA H -8.931 5.357 9.850 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HA . . . . . . . . . rr_1daq 1 . 1 . 932 . 1 1 61 LYS HB2 H -10.365 5.346 11.767 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HB2 . . . . . . . . . rr_1daq 1 . 1 . 933 . 1 1 61 LYS HB3 H -11.036 4.252 10.575 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HB3 . . . . . . . . . rr_1daq 1 . 1 . 934 . 1 1 61 LYS HD2 H -10.890 2.003 10.686 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HD2 . . . . . . . . . rr_1daq 1 . 1 . 935 . 1 1 61 LYS HD3 H -9.312 1.544 11.294 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HD3 . . . . . . . . . rr_1daq 1 . 1 . 936 . 1 1 61 LYS HE2 H -11.255 1.362 13.453 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HE2 . . . . . . . . . rr_1daq 1 . 1 . 937 . 1 1 61 LYS HE3 H -11.857 0.482 12.062 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HE3 . . . . . . . . . rr_1daq 1 . 1 . 938 . 1 1 61 LYS HG2 H -9.233 3.299 12.844 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HG2 . . . . . . . . . rr_1daq 1 . 1 . 939 . 1 1 61 LYS HG3 H -10.977 3.389 12.999 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HG3 . . . . . . . . . rr_1daq 1 . 1 . 940 . 1 1 61 LYS HZ1 H -9.742 -0.672 11.964 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ1 . . . . . . . . . rr_1daq 1 . 1 . 941 . 1 1 61 LYS HZ2 H -9.205 0.131 13.281 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ2 . . . . . . . . . rr_1daq 1 . 1 . 942 . 1 1 61 LYS HZ3 H -10.465 -0.900 13.411 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ3 . . . . . . . . . rr_1daq 1 . 1 . 943 . 1 1 61 LYS N N -8.786 3.320 9.569 . . . 1.0 . . . . . . . . . . . . A . 61 LYS N . . . . . . . . . rr_1daq 1 . 1 . 944 . 1 1 61 LYS NZ N -10.015 -0.231 12.819 . . . 1.0 . . . . . . . . . . . . A . 61 LYS NZ . . . . . . . . . rr_1daq 1 . 1 . 945 . 1 1 61 LYS O O -7.159 5.615 11.660 . . . 1.0 . . . . . . . . . . . . A . 61 LYS O . . . . . . . . . rr_1daq 1 . 1 . 946 . 1 1 62 GLU C C -4.809 4.035 11.915 . . . 1.0 . . . . . . . . . . . . A . 62 GLU C . . . . . . . . . rr_1daq 1 . 1 . 947 . 1 1 62 GLU CA C -5.968 3.267 12.554 . . . 1.0 . . . . . . . . . . . . A . 62 GLU CA . . . . . . . . . rr_1daq 1 . 1 . 948 . 1 1 62 GLU CB C -5.585 1.809 12.813 . . . 1.0 . . . . . . . . . . . . A . 62 GLU CB . . . . . . . . . rr_1daq 1 . 1 . 949 . 1 1 62 GLU CD C -5.893 -0.148 14.373 . . . 1.0 . . . . . . . . . . . . A . 62 GLU CD . . . . . . . . . rr_1daq 1 . 1 . 950 . 1 1 62 GLU CG C -6.015 1.369 14.213 . . . 1.0 . . . . . . . . . . . . A . 62 GLU CG . . . . . . . . . rr_1daq 1 . 1 . 951 . 1 1 62 GLU H H -7.551 2.475 11.457 . . . 1.0 . . . . . . . . . . . . A . 62 GLU H . . . . . . . . . rr_1daq 1 . 1 . 952 . 1 1 62 GLU HA H -6.246 3.736 13.499 . . . 1.0 . . . . . . . . . . . . A . 62 GLU HA . . . . . . . . . rr_1daq 1 . 1 . 953 . 1 1 62 GLU HB2 H -6.053 1.168 12.067 . . . 1.0 . . . . . . . . . . . . A . 62 GLU HB2 . . . . . . . . . rr_1daq 1 . 1 . 954 . 1 1 62 GLU HB3 H -4.507 1.688 12.705 . . . 1.0 . . . . . . . . . . . . A . 62 GLU HB3 . . . . . . . . . rr_1daq 1 . 1 . 955 . 1 1 62 GLU HG2 H -5.398 1.868 14.962 . . . 1.0 . . . . . . . . . . . . A . 62 GLU HG2 . . . . . . . . . rr_1daq 1 . 1 . 956 . 1 1 62 GLU HG3 H -7.046 1.676 14.394 . . . 1.0 . . . . . . . . . . . . A . 62 GLU HG3 . . . . . . . . . rr_1daq 1 . 1 . 957 . 1 1 62 GLU N N -7.153 3.354 11.717 . . . 1.0 . . . . . . . . . . . . A . 62 GLU N . . . . . . . . . rr_1daq 1 . 1 . 958 . 1 1 62 GLU O O -3.815 4.329 12.576 . . . 1.0 . . . . . . . . . . . . A . 62 GLU O . . . . . . . . . rr_1daq 1 . 1 . 959 . 1 1 62 GLU OE1 O -6.712 -0.852 13.744 . . . 1.0 . . . . . . . . . . . . A . 62 GLU OE1 . . . . . . . . . rr_1daq 1 . 1 . 960 . 1 1 62 GLU OE2 O -4.985 -0.569 15.122 . . . 1.0 . . . . . . . . . . . . A . 62 GLU OE2 . . . . . . . . . rr_1daq 1 . 1 . 961 . 1 1 63 ILE C C -3.252 6.041 10.841 . . . 1.0 . . . . . . . . . . . . A . 63 ILE C . . . . . . . . . rr_1daq 1 . 1 . 962 . 1 1 63 ILE CA C -3.955 5.062 9.898 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CA . . . . . . . . . rr_1daq 1 . 1 . 963 . 1 1 63 ILE CB C -4.559 5.726 8.660 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CB . . . . . . . . . rr_1daq 1 . 1 . 964 . 1 1 63 ILE CD1 C -2.437 6.294 7.420 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CD1 . . . . . . . . . rr_1daq 1 . 1 . 965 . 1 1 63 ILE CG1 C -3.660 6.854 8.149 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CG1 . . . . . . . . . rr_1daq 1 . 1 . 966 . 1 1 63 ILE CG2 C -5.985 6.209 8.936 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CG2 . . . . . . . . . rr_1daq 1 . 1 . 967 . 1 1 63 ILE H H -5.786 4.092 10.104 . . . 1.0 . . . . . . . . . . . . A . 63 ILE H . . . . . . . . . rr_1daq 1 . 1 . 968 . 1 1 63 ILE HA H -3.223 4.333 9.549 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HA . . . . . . . . . rr_1daq 1 . 1 . 969 . 1 1 63 ILE HB H -4.620 4.980 7.867 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HB . . . . . . . . . rr_1daq 1 . 1 . 970 . 1 1 63 ILE HD11 H -2.764 5.658 6.597 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HD11 . . . . . . . . . rr_1daq 1 . 1 . 971 . 1 1 63 ILE HD12 H -1.839 7.116 7.029 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HD12 . . . . . . . . . rr_1daq 1 . 1 . 972 . 1 1 63 ILE HD13 H -1.837 5.708 8.117 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HD13 . . . . . . . . . rr_1daq 1 . 1 . 973 . 1 1 63 ILE HG12 H -4.226 7.498 7.475 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG12 . . . . . . . . . rr_1daq 1 . 1 . 974 . 1 1 63 ILE HG13 H -3.337 7.474 8.986 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG13 . . . . . . . . . rr_1daq 1 . 1 . 975 . 1 1 63 ILE HG21 H -6.677 5.373 8.835 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG21 . . . . . . . . . rr_1daq 1 . 1 . 976 . 1 1 63 ILE HG22 H -6.042 6.608 9.949 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG22 . . . . . . . . . rr_1daq 1 . 1 . 977 . 1 1 63 ILE HG23 H -6.249 6.990 8.223 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG23 . . . . . . . . . rr_1daq 1 . 1 . 978 . 1 1 63 ILE N N -4.976 4.336 10.635 . . . 1.0 . . . . . . . . . . . . A . 63 ILE N . . . . . . . . . rr_1daq 1 . 1 . 979 . 1 1 63 ILE O O -3.766 7.126 11.109 . . . 1.0 . . . . . . . . . . . . A . 63 ILE O . . . . . . . . . rr_1daq 1 . 1 . 980 . 1 1 64 ASP C C -0.093 5.661 12.710 . . . 1.0 . . . . . . . . . . . . A . 64 ASP C . . . . . . . . . rr_1daq 1 . 1 . 981 . 1 1 64 ASP CA C -1.311 6.450 12.224 . . . 1.0 . . . . . . . . . . . . A . 64 ASP CA . . . . . . . . . rr_1daq 1 . 1 . 982 . 1 1 64 ASP CB C -2.135 6.849 13.450 . . . 1.0 . . . . . . . . . . . . A . 64 ASP CB . . . . . . . . . rr_1daq 1 . 1 . 983 . 1 1 64 ASP CG C -1.783 8.212 14.050 . . . 1.0 . . . . . . . . . . . . A . 64 ASP CG . . . . . . . . . rr_1daq 1 . 1 . 984 . 1 1 64 ASP H H -1.679 4.738 11.095 . . . 1.0 . . . . . . . . . . . . A . 64 ASP H . . . . . . . . . rr_1daq 1 . 1 . 985 . 1 1 64 ASP HA H -1.034 7.328 11.643 . . . 1.0 . . . . . . . . . . . . A . 64 ASP HA . . . . . . . . . rr_1daq 1 . 1 . 986 . 1 1 64 ASP HB2 H -3.190 6.851 13.175 . . . 1.0 . . . . . . . . . . . . A . 64 ASP HB2 . . . . . . . . . rr_1daq 1 . 1 . 987 . 1 1 64 ASP HB3 H -2.007 6.087 14.219 . . . 1.0 . . . . . . . . . . . . A . 64 ASP HB3 . . . . . . . . . rr_1daq 1 . 1 . 988 . 1 1 64 ASP N N -2.089 5.623 11.318 . . . 1.0 . . . . . . . . . . . . A . 64 ASP N . . . . . . . . . rr_1daq 1 . 1 . 989 . 1 1 64 ASP O O 0.975 6.231 12.922 . . . 1.0 . . . . . . . . . . . . A . 64 ASP O . . . . . . . . . rr_1daq 1 . 1 . 990 . 1 1 64 ASP OD1 O -1.073 8.971 13.356 . . . 1.0 . . . . . . . . . . . . A . 64 ASP OD1 . . . . . . . . . rr_1daq 1 . 1 . 991 . 1 1 64 ASP OD2 O -2.233 8.464 15.188 . . . 1.0 . . . . . . . . . . . . A . 64 ASP OD2 . . . . . . . . . rr_1daq 1 . 1 . 992 . 1 1 65 THR C C 0.881 2.261 12.421 . . . 1.0 . . . . . . . . . . . . A . 65 THR C . . . . . . . . . rr_1daq 1 . 1 . 993 . 1 1 65 THR CA C 0.772 3.488 13.327 . . . 1.0 . . . . . . . . . . . . A . 65 THR CA . . . . . . . . . rr_1daq 1 . 1 . 994 . 1 1 65 THR CB C 0.502 3.139 14.792 . . . 1.0 . . . . . . . . . . . . A . 65 THR CB . . . . . . . . . rr_1daq 1 . 1 . 995 . 1 1 65 THR CG2 C 0.284 1.639 15.006 . . . 1.0 . . . . . . . . . . . . A . 65 THR CG2 . . . . . . . . . rr_1daq 1 . 1 . 996 . 1 1 65 THR H H -1.170 3.906 12.697 . . . 1.0 . . . . . . . . . . . . A . 65 THR H . . . . . . . . . rr_1daq 1 . 1 . 997 . 1 1 65 THR HA H 1.715 4.030 13.250 . . . 1.0 . . . . . . . . . . . . A . 65 THR HA . . . . . . . . . rr_1daq 1 . 1 . 998 . 1 1 65 THR HB H -0.336 3.714 15.183 . . . 1.0 . . . . . . . . . . . . A . 65 THR HB . . . . . . . . . rr_1daq 1 . 1 . 999 . 1 1 65 THR HG1 H 2.064 4.320 15.206 . . . 1.0 . . . . . . . . . . . . A . 65 THR HG1 . . . . . . . . . rr_1daq 1 . 1 . 1000 . 1 1 65 THR HG21 H 1.071 1.081 14.500 . . . 1.0 . . . . . . . . . . . . A . 65 THR HG21 . . . . . . . . . rr_1daq 1 . 1 . 1001 . 1 1 65 THR HG22 H 0.310 1.417 16.073 . . . 1.0 . . . . . . . . . . . . A . 65 THR HG22 . . . . . . . . . rr_1daq 1 . 1 . 1002 . 1 1 65 THR HG23 H -0.685 1.352 14.599 . . . 1.0 . . . . . . . . . . . . A . 65 THR HG23 . . . . . . . . . rr_1daq 1 . 1 . 1003 . 1 1 65 THR N N -0.296 4.361 12.872 . . . 1.0 . . . . . . . . . . . . A . 65 THR N . . . . . . . . . rr_1daq 1 . 1 . 1004 . 1 1 65 THR O O 1.983 1.837 12.074 . . . 1.0 . . . . . . . . . . . . A . 65 THR O . . . . . . . . . rr_1daq 1 . 1 . 1005 . 1 1 65 THR OG1 O 1.741 3.405 15.446 . . . 1.0 . . . . . . . . . . . . A . 65 THR OG1 . . . . . . . . . rr_1daq 1 . 1 . 1006 . 1 1 66 LEU C C 0.237 -0.652 11.958 . . . 1.0 . . . . . . . . . . . . A . 66 LEU C . . . . . . . . . rr_1daq 1 . 1 . 1007 . 1 1 66 LEU CA C -0.323 0.554 11.202 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CA . . . . . . . . . rr_1daq 1 . 1 . 1008 . 1 1 66 LEU CB C 0.387 0.834 9.877 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CB . . . . . . . . . rr_1daq 1 . 1 . 1009 . 1 1 66 LEU CD1 C 0.722 -0.047 7.538 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CD1 . . . . . . . . . rr_1daq 1 . 1 . 1010 . 1 1 66 LEU CD2 C 2.063 -1.005 9.466 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CD2 . . . . . . . . . rr_1daq 1 . 1 . 1011 . 1 1 66 LEU CG C 0.732 -0.392 9.029 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CG . . . . . . . . . rr_1daq 1 . 1 . 1012 . 1 1 66 LEU H H -1.167 2.075 12.349 . . . 1.0 . . . . . . . . . . . . A . 66 LEU H . . . . . . . . . rr_1daq 1 . 1 . 1013 . 1 1 66 LEU HA H -1.371 0.361 10.972 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HA . . . . . . . . . rr_1daq 1 . 1 . 1014 . 1 1 66 LEU HB2 H -0.242 1.498 9.283 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HB2 . . . . . . . . . rr_1daq 1 . 1 . 1015 . 1 1 66 LEU HB3 H 1.310 1.375 10.089 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HB3 . . . . . . . . . rr_1daq 1 . 1 . 1016 . 1 1 66 LEU HD11 H 0.429 0.994 7.408 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD11 . . . . . . . . . rr_1daq 1 . 1 . 1017 . 1 1 66 LEU HD12 H 1.719 -0.198 7.123 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD12 . . . . . . . . . rr_1daq 1 . 1 . 1018 . 1 1 66 LEU HD13 H 0.013 -0.692 7.020 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD13 . . . . . . . . . rr_1daq 1 . 1 . 1019 . 1 1 66 LEU HD21 H 2.545 -0.348 10.189 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD21 . . . . . . . . . rr_1daq 1 . 1 . 1020 . 1 1 66 LEU HD22 H 1.881 -1.978 9.924 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD22 . . . . . . . . . rr_1daq 1 . 1 . 1021 . 1 1 66 LEU HD23 H 2.710 -1.127 8.598 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD23 . . . . . . . . . rr_1daq 1 . 1 . 1022 . 1 1 66 LEU HG H -0.038 -1.146 9.189 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HG . . . . . . . . . rr_1daq 1 . 1 . 1023 . 1 1 66 LEU N N -0.276 1.724 12.062 . . . 1.0 . . . . . . . . . . . . A . 66 LEU N . . . . . . . . . rr_1daq 1 . 1 . 1024 . 1 1 66 LEU O O 1.447 -0.867 11.979 . . . 1.0 . . . . . . . . . . . . A . 66 LEU O . . . . . . . . . rr_1daq 1 . 1 . 1025 . 1 1 67 PRO C C 0.080 -3.754 12.395 . . . 1.0 . . . . . . . . . . . . A . 67 PRO C . . . . . . . . . rr_1daq 1 . 1 . 1026 . 1 1 67 PRO CA C -0.306 -2.607 13.330 . . . 1.0 . . . . . . . . . . . . A . 67 PRO CA . . . . . . . . . rr_1daq 1 . 1 . 1027 . 1 1 67 PRO CB C -1.508 -2.929 14.202 . . . 1.0 . . . . . . . . . . . . A . 67 PRO CB . . . . . . . . . rr_1daq 1 . 1 . 1028 . 1 1 67 PRO CD C -2.137 -1.203 12.570 . . . 1.0 . . . . . . . . . . . . A . 67 PRO CD . . . . . . . . . rr_1daq 1 . 1 . 1029 . 1 1 67 PRO CG C -2.687 -2.207 13.571 . . . 1.0 . . . . . . . . . . . . A . 67 PRO CG . . . . . . . . . rr_1daq 1 . 1 . 1030 . 1 1 67 PRO HA H 0.508 -2.415 13.877 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HA . . . . . . . . . rr_1daq 1 . 1 . 1031 . 1 1 67 PRO HB2 H -1.685 -4.004 14.242 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HB2 . . . . . . . . . rr_1daq 1 . 1 . 1032 . 1 1 67 PRO HB3 H -1.348 -2.595 15.227 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HB3 . . . . . . . . . rr_1daq 1 . 1 . 1033 . 1 1 67 PRO HD2 H -2.559 -1.360 11.578 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HD2 . . . . . . . . . rr_1daq 1 . 1 . 1034 . 1 1 67 PRO HD3 H -2.380 -0.181 12.862 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HD3 . . . . . . . . . rr_1daq 1 . 1 . 1035 . 1 1 67 PRO HG2 H -3.349 -2.918 13.074 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HG2 . . . . . . . . . rr_1daq 1 . 1 . 1036 . 1 1 67 PRO HG3 H -3.278 -1.701 14.335 . . . 1.0 . . . . . . . . . . . . A . 67 PRO HG3 . . . . . . . . . rr_1daq 1 . 1 . 1037 . 1 1 67 PRO N N -0.695 -1.427 12.575 . . . 1.0 . . . . . . . . . . . . A . 67 PRO N . . . . . . . . . rr_1daq 1 . 1 . 1038 . 1 1 67 PRO O O -0.582 -4.791 12.372 . . . 1.0 . . . . . . . . . . . . A . 67 PRO O . . . . . . . . . rr_1daq 1 . 1 . 1039 . 1 1 68 TYR C C 1.494 -5.939 11.295 . . . 1.0 . . . . . . . . . . . . A . 68 TYR C . . . . . . . . . rr_1daq 1 . 1 . 1040 . 1 1 68 TYR CA C 1.631 -4.532 10.710 . . . 1.0 . . . . . . . . . . . . A . 68 TYR CA . . . . . . . . . rr_1daq 1 . 1 . 1041 . 1 1 68 TYR CB C 3.113 -4.227 10.490 . . . 1.0 . . . . . . . . . . . . A . 68 TYR CB . . . . . . . . . rr_1daq 1 . 1 . 1042 . 1 1 68 TYR CD1 C 4.357 -4.679 12.636 . . . 1.0 . . . . . . . . . . . . A . 68 TYR CD1 . . . . . . . . . rr_1daq 1 . 1 . 1043 . 1 1 68 TYR CD2 C 3.992 -2.405 11.997 . . . 1.0 . . . . . . . . . . . . A . 68 TYR CD2 . . . . . . . . . rr_1daq 1 . 1 . 1044 . 1 1 68 TYR CE1 C 5.046 -4.236 13.820 . . . 1.0 . . . . . . . . . . . . A . 68 TYR CE1 . . . . . . . . . rr_1daq 1 . 1 . 1045 . 1 1 68 TYR CE2 C 4.679 -1.962 13.181 . . . 1.0 . . . . . . . . . . . . A . 68 TYR CE2 . . . . . . . . . rr_1daq 1 . 1 . 1046 . 1 1 68 TYR CG C 3.845 -3.755 11.748 . . . 1.0 . . . . . . . . . . . . A . 68 TYR CG . . . . . . . . . rr_1daq 1 . 1 . 1047 . 1 1 68 TYR CZ C 5.173 -2.899 14.035 . . . 1.0 . . . . . . . . . . . . A . 68 TYR CZ . . . . . . . . . rr_1daq 1 . 1 . 1048 . 1 1 68 TYR H H 1.682 -2.685 11.669 . . . 1.0 . . . . . . . . . . . . A . 68 TYR H . . . . . . . . . rr_1daq 1 . 1 . 1049 . 1 1 68 TYR HA H 1.029 -4.465 9.803 . . . 1.0 . . . . . . . . . . . . A . 68 TYR HA . . . . . . . . . rr_1daq 1 . 1 . 1050 . 1 1 68 TYR HB2 H 3.606 -5.121 10.109 . . . 1.0 . . . . . . . . . . . . A . 68 TYR HB2 . . . . . . . . . rr_1daq 1 . 1 . 1051 . 1 1 68 TYR HB3 H 3.206 -3.460 9.721 . . . 1.0 . . . . . . . . . . . . A . 68 TYR HB3 . . . . . . . . . rr_1daq 1 . 1 . 1052 . 1 1 68 TYR HD1 H 4.241 -5.746 12.440 . . . 1.0 . . . . . . . . . . . . A . 68 TYR HD1 . . . . . . . . . rr_1daq 1 . 1 . 1053 . 1 1 68 TYR HD2 H 3.586 -1.675 11.296 . . . 1.0 . . . . . . . . . . . . A . 68 TYR HD2 . . . . . . . . . rr_1daq 1 . 1 . 1054 . 1 1 68 TYR HE1 H 5.455 -4.956 14.529 . . . 1.0 . . . . . . . . . . . . A . 68 TYR HE1 . . . . . . . . . rr_1daq 1 . 1 . 1055 . 1 1 68 TYR HE2 H 4.802 -0.899 13.389 . . . 1.0 . . . . . . . . . . . . A . 68 TYR HE2 . . . . . . . . . rr_1daq 1 . 1 . 1056 . 1 1 68 TYR HH H 5.204 -2.509 15.939 . . . 1.0 . . . . . . . . . . . . A . 68 TYR HH . . . . . . . . . rr_1daq 1 . 1 . 1057 . 1 1 68 TYR N N 1.149 -3.530 11.645 . . . 1.0 . . . . . . . . . . . . A . 68 TYR N . . . . . . . . . rr_1daq 1 . 1 . 1058 . 1 1 68 TYR O O 2.102 -6.252 12.318 . . . 1.0 . . . . . . . . . . . . A . 68 TYR O . . . . . . . . . rr_1daq 1 . 1 . 1059 . 1 1 68 TYR OH O 5.823 -2.480 15.153 . . . 1.0 . . . . . . . . . . . . A . 68 TYR OH . . . . . . . . . rr_1daq 1 . 1 . 1060 . 1 1 69 LYS C C 0.302 -9.022 9.840 . . . 1.0 . . . . . . . . . . . . A . 69 LYS C . . . . . . . . . rr_1daq 1 . 1 . 1061 . 1 1 69 LYS CA C 0.467 -8.118 11.063 . . . 1.0 . . . . . . . . . . . . A . 69 LYS CA . . . . . . . . . rr_1daq 1 . 1 . 1062 . 1 1 69 LYS CB C -0.710 -8.179 12.037 . . . 1.0 . . . . . . . . . . . . A . 69 LYS CB . . . . . . . . . rr_1daq 1 . 1 . 1063 . 1 1 69 LYS CD C -1.754 -9.584 13.854 . . . 1.0 . . . . . . . . . . . . A . 69 LYS CD . . . . . . . . . rr_1daq 1 . 1 . 1064 . 1 1 69 LYS CE C -1.610 -10.917 14.589 . . . 1.0 . . . . . . . . . . . . A . 69 LYS CE . . . . . . . . . rr_1daq 1 . 1 . 1065 . 1 1 69 LYS CG C -0.453 -9.206 13.143 . . . 1.0 . . . . . . . . . . . . A . 69 LYS CG . . . . . . . . . rr_1daq 1 . 1 . 1066 . 1 1 69 LYS H H 0.201 -6.489 9.791 . . . 1.0 . . . . . . . . . . . . A . 69 LYS H . . . . . . . . . rr_1daq 1 . 1 . 1067 . 1 1 69 LYS HA H 1.356 -8.434 11.609 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HA . . . . . . . . . rr_1daq 1 . 1 . 1068 . 1 1 69 LYS HB2 H -0.873 -7.197 12.481 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HB2 . . . . . . . . . rr_1daq 1 . 1 . 1069 . 1 1 69 LYS HB3 H -1.620 -8.440 11.498 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HB3 . . . . . . . . . rr_1daq 1 . 1 . 1070 . 1 1 69 LYS HD2 H -2.026 -8.801 14.561 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HD2 . . . . . . . . . rr_1daq 1 . 1 . 1071 . 1 1 69 LYS HD3 H -2.564 -9.651 13.127 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HD3 . . . . . . . . . rr_1daq 1 . 1 . 1072 . 1 1 69 LYS HE2 H -1.732 -11.742 13.887 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HE2 . . . . . . . . . rr_1daq 1 . 1 . 1073 . 1 1 69 LYS HE3 H -0.608 -11.002 15.009 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HE3 . . . . . . . . . rr_1daq 1 . 1 . 1074 . 1 1 69 LYS HG2 H 0.004 -10.099 12.715 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HG2 . . . . . . . . . rr_1daq 1 . 1 . 1075 . 1 1 69 LYS HG3 H 0.255 -8.800 13.864 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HG3 . . . . . . . . . rr_1daq 1 . 1 . 1076 . 1 1 69 LYS HZ1 H -3.373 -10.396 15.484 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HZ1 . . . . . . . . . rr_1daq 1 . 1 . 1077 . 1 1 69 LYS HZ2 H -2.966 -11.961 15.707 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HZ2 . . . . . . . . . rr_1daq 1 . 1 . 1078 . 1 1 69 LYS HZ3 H -2.195 -10.790 16.544 . . . 1.0 . . . . . . . . . . . . A . 69 LYS HZ3 . . . . . . . . . rr_1daq 1 . 1 . 1079 . 1 1 69 LYS N N 0.692 -6.751 10.622 . . . 1.0 . . . . . . . . . . . . A . 69 LYS N . . . . . . . . . rr_1daq 1 . 1 . 1080 . 1 1 69 LYS NZ N -2.618 -11.025 15.669 . . . 1.0 . . . . . . . . . . . . A . 69 LYS NZ . . . . . . . . . rr_1daq 1 . 1 . 1081 . 1 1 69 LYS O O -0.082 -8.558 8.767 . . . 1.0 . . . . . . . . . . . . A . 69 LYS O . . . . . . . . . rr_1daq 1 . 1 . 1082 . 1 1 70 ASN C C -0.951 -11.788 8.904 . . . 1.0 . . . . . . . . . . . . A . 70 ASN C . . . . . . . . . rr_1daq 1 . 1 . 1083 . 1 1 70 ASN CA C 0.487 -11.272 8.970 . . . 1.0 . . . . . . . . . . . . A . 70 ASN CA . . . . . . . . . rr_1daq 1 . 1 . 1084 . 1 1 70 ASN CB C 1.409 -12.468 9.215 . . . 1.0 . . . . . . . . . . . . A . 70 ASN CB . . . . . . . . . rr_1daq 1 . 1 . 1085 . 1 1 70 ASN CG C 2.191 -12.826 7.951 . . . 1.0 . . . . . . . . . . . . A . 70 ASN CG . . . . . . . . . rr_1daq 1 . 1 . 1086 . 1 1 70 ASN H H 0.909 -10.667 10.918 . . . 1.0 . . . . . . . . . . . . A . 70 ASN H . . . . . . . . . rr_1daq 1 . 1 . 1087 . 1 1 70 ASN HA H 0.781 -10.737 8.067 . . . 1.0 . . . . . . . . . . . . A . 70 ASN HA . . . . . . . . . rr_1daq 1 . 1 . 1088 . 1 1 70 ASN HB2 H 2.102 -12.238 10.024 . . . 1.0 . . . . . . . . . . . . A . 70 ASN HB2 . . . . . . . . . rr_1daq 1 . 1 . 1089 . 1 1 70 ASN HB3 H 0.818 -13.326 9.538 . . . 1.0 . . . . . . . . . . . . A . 70 ASN HB3 . . . . . . . . . rr_1daq 1 . 1 . 1090 . 1 1 70 ASN HD21 H 3.842 -13.064 9.097 . . . 1.0 . . . . . . . . . . . . A . 70 ASN HD21 . . . . . . . . . rr_1daq 1 . 1 . 1091 . 1 1 70 ASN HD22 H 4.069 -13.348 7.403 . . . 1.0 . . . . . . . . . . . . A . 70 ASN HD22 . . . . . . . . . rr_1daq 1 . 1 . 1092 . 1 1 70 ASN N N 0.599 -10.297 10.042 . . . 1.0 . . . . . . . . . . . . A . 70 ASN N . . . . . . . . . rr_1daq 1 . 1 . 1093 . 1 1 70 ASN ND2 N 3.473 -13.102 8.168 . . . 1.0 . . . . . . . . . . . . A . 70 ASN ND2 . . . . . . . . . rr_1daq 1 . 1 . 1094 . 1 1 70 ASN O O -1.736 -11.570 9.826 . . . 1.0 . . . . . . . . . . . . A . 70 ASN O . . . . . . . . . rr_1daq 1 . 1 . 1095 . 1 1 70 ASN OD1 O 1.665 -12.849 6.850 . . . 1.0 . . . . . . . . . . . . A . 70 ASN OD1 . . . . . . . . . rr_1daq 1 . 1 . 1096 . 1 1 71 GLY C C -2.791 -13.433 6.149 . . . 1.0 . . . . . . . . . . . . A . 71 GLY C . . . . . . . . . rr_1daq 1 . 1 . 1097 . 1 1 71 GLY CA C -2.584 -13.011 7.605 . . . 1.0 . . . . . . . . . . . . A . 71 GLY CA . . . . . . . . . rr_1daq 1 . 1 . 1098 . 1 1 71 GLY H H -0.610 -12.634 7.059 . . . 1.0 . . . . . . . . . . . . A . 71 GLY H . . . . . . . . . rr_1daq 1 . 1 . 1099 . 1 1 71 GLY HA2 H -2.729 -13.870 8.260 . . . 1.0 . . . . . . . . . . . . A . 71 GLY HA2 . . . . . . . . . rr_1daq 1 . 1 . 1100 . 1 1 71 GLY HA3 H -3.332 -12.269 7.882 . . . 1.0 . . . . . . . . . . . . A . 71 GLY HA3 . . . . . . . . . rr_1daq 1 . 1 . 1101 . 1 1 71 GLY N N -1.254 -12.462 7.804 . . . 1.0 . . . . . . . . . . . . A . 71 GLY N . . . . . . . . . rr_1daq 1 . 1 . 1102 . 1 1 71 GLY O O -3.784 -14.081 5.822 . . . 1.0 . . . . . . . . . . . . A . 71 GLY O . . . . . . . . . rr_1daq 1 . 1 . 1103 . 2 2 1 CA CA Ca -3.579 6.768 -1.954 . . . 1.0 . . . . . . . . . . . . A . 72 CA CA . . . . . . . . . rr_1daq 1 . 1 . 1104 . 3 2 1 CA CA Ca 4.588 -4.757 1.033 . . . 1.0 . . . . . . . . . . . . A . 73 CA CA . . . . . . . . . rr_1daq 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1daq _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1daq.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1daq 1 1 1daq.mr . . DYANA/DIANA 2 distance NOE simple 850 rr_1daq 1 1 1daq.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1daq 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1daq _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1daq 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 4 4 LYS H H . . . 1 1 5 5 LEU H H . . . . . . . 5.57 . . . . . A . 4 LYS H . . A . 5 LEU H . . . 4 LYS+ HN . . . . . 5 LEU HN . . rr_1daq 1 2 1 . . 1 1 5 5 LEU H H . . . 1 1 4 4 LYS HA H . . . . . . . 2.72 . . . . . A . 5 LEU H . . A . 4 LYS HA . . . 5 LEU HN . . . . . 4 LYS+ HA . . rr_1daq 1 3 1 OR . 1 1 4 4 LYS HA H . . . 1 1 5 5 LEU MD2 H . . . . . . . 8.60 . . . . . A . 4 LYS HA . . A . 5 LEU MD2 . . . 4 LYS+ HA . . . . . 5 LEU QQD . . rr_1daq 1 3 2 OR . 1 1 4 4 LYS HA H . . . 1 1 5 5 LEU MD1 H . . . . . . . 8.60 . . . . . A . 4 LYS HA . . A . 5 LEU MD1 . . . 4 LYS+ HA . . . . . 5 LEU QQD . . rr_1daq 1 4 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HG H . . . . . . . 4.24 . . . . . A . 5 LEU H . . A . 5 LEU HG . . . 5 LEU HN . . . . . 5 LEU HG . . rr_1daq 1 5 1 OR . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU MD2 H . . . . . . . 8.60 . . . . . A . 5 LEU H . . A . 5 LEU MD2 . . . 5 LEU HN . . . . . 5 LEU QQD . . rr_1daq 1 5 2 OR . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU MD1 H . . . . . . . 8.60 . . . . . A . 5 LEU H . . A . 5 LEU MD1 . . . 5 LEU HN . . . . . 5 LEU QQD . . rr_1daq 1 6 1 . . 1 1 5 5 LEU H H . . . 1 1 8 8 ASP HB2 H . . . . . . . 5.21 . . . . . A . 5 LEU H . . A . 8 ASP HB2 . . . 5 LEU HN . . . . . 8 ASP- HB2 . . rr_1daq 1 7 1 . . 1 1 5 5 LEU H H . . . 1 1 8 8 ASP HB3 H . . . . . . . 5.21 . . . . . A . 5 LEU H . . A . 8 ASP HB3 . . . 5 LEU HN . . . . . 8 ASP- HB3 . . rr_1daq 1 8 1 OR . 1 1 5 5 LEU H H . . . 1 1 8 8 ASP HB2 H . . . . . . . 4.92 . . . . . A . 5 LEU H . . A . 8 ASP HB2 . . . 5 LEU HN . . . . . 8 ASP- QB . . rr_1daq 1 8 2 OR . 1 1 5 5 LEU H H . . . 1 1 8 8 ASP HB3 H . . . . . . . 4.92 . . . . . A . 5 LEU H . . A . 8 ASP HB3 . . . 5 LEU HN . . . . . 8 ASP- QB . . rr_1daq 1 9 1 OR . 1 1 5 5 LEU H H . . . 1 1 38 38 ASN HD21 H . . . . . . . 6.87 . . . . . A . 5 LEU H . . A . 38 ASN HD21 . . . 5 LEU HN . . . . . 38 ASN QD2 . . rr_1daq 1 9 2 OR . 1 1 5 5 LEU H H . . . 1 1 38 38 ASN HD22 H . . . . . . . 6.87 . . . . . A . 5 LEU H . . A . 38 ASN HD22 . . . 5 LEU HN . . . . . 38 ASN QD2 . . rr_1daq 1 10 1 OR . 1 1 5 5 LEU H H . . . 1 1 63 63 ILE HG12 H . . . . . . . 6.88 . . . . . A . 5 LEU H . . A . 63 ILE HG12 . . . 5 LEU HN . . . . . 63 ILE QG1 . . rr_1daq 1 10 2 OR . 1 1 5 5 LEU H H . . . 1 1 63 63 ILE HG13 H . . . . . . . 6.88 . . . . . A . 5 LEU H . . A . 63 ILE HG13 . . . 5 LEU HN . . . . . 63 ILE QG1 . . rr_1daq 1 11 1 . . 1 1 5 5 LEU HG H . . . 1 1 5 5 LEU HA H . . . . . . . 3.77 . . . . . A . 5 LEU HG . . A . 5 LEU HA . . . 5 LEU HG . . . . . 5 LEU HA . . rr_1daq 1 12 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU HA H . . . . . . . 6.31 . . . . . A . 5 LEU MD1 . . A . 5 LEU HA . . . 5 LEU QD1 . . . . . 5 LEU HA . . rr_1daq 1 13 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU MD2 H . . . . . . . 6.31 . . . . . A . 5 LEU HA . . A . 5 LEU MD2 . . . 5 LEU HA . . . . . 5 LEU QD2 . . rr_1daq 1 14 1 . . 1 1 5 5 LEU HA H . . . 1 1 63 63 ILE HB H . . . . . . . 6.00 . . . . . A . 5 LEU HA . . A . 63 ILE HB . . . 5 LEU HA . . . . . 63 ILE HB . . rr_1daq 1 15 1 . . 1 1 5 5 LEU HA H . . . 1 1 63 63 ILE MG H . . . . . . . 7.03 . . . . . A . 5 LEU HA . . A . 63 ILE MG . . . 5 LEU HA . . . . . 63 ILE QG2 . . rr_1daq 1 16 1 OR . 1 1 5 5 LEU HA H . . . 1 1 63 63 ILE HG12 H . . . . . . . 6.88 . . . . . A . 5 LEU HA . . A . 63 ILE HG12 . . . 5 LEU HA . . . . . 63 ILE QG1 . . rr_1daq 1 16 2 OR . 1 1 63 63 ILE HG13 H . . . 1 1 5 5 LEU HA H . . . . . . . 6.88 . . . . . A . 63 ILE HG13 . . A . 5 LEU HA . . . 63 ILE QG1 . . . . . 5 LEU HA . . rr_1daq 1 17 1 . . 1 1 5 5 LEU HA H . . . 1 1 63 63 ILE MD H . . . . . . . 7.03 . . . . . A . 5 LEU HA . . A . 63 ILE MD . . . 5 LEU HA . . . . . 63 ILE QD1 . . rr_1daq 1 18 1 OR . 1 1 6 6 TYR H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.19 . . . . . A . 6 TYR H . . A . 5 LEU HB2 . . . 6 TYR HN . . . . . 5 LEU QB . . rr_1daq 1 18 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 TYR H H . . . . . . . 6.19 . . . . . A . 5 LEU HB3 . . A . 6 TYR H . . . 5 LEU QB . . . . . 6 TYR HN . . rr_1daq 1 19 1 OR . 1 1 8 8 ASP H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.76 . . . . . A . 8 ASP H . . A . 5 LEU HB2 . . . 8 ASP- HN . . . . . 5 LEU QB . . rr_1daq 1 19 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 8 8 ASP H H . . . . . . . 5.76 . . . . . A . 5 LEU HB3 . . A . 8 ASP H . . . 5 LEU QB . . . . . 8 ASP- HN . . rr_1daq 1 20 1 OR . 1 1 5 5 LEU HB2 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 7.54 . . . . . A . 5 LEU HB2 . . A . 8 ASP HB2 . . . 5 LEU QB . . . . . 8 ASP- QB . . rr_1daq 1 20 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 7.54 . . . . . A . 5 LEU HB3 . . A . 8 ASP HB2 . . . 5 LEU QB . . . . . 8 ASP- QB . . rr_1daq 1 20 3 OR . 1 1 8 8 ASP HB3 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 7.54 . . . . . A . 8 ASP HB3 . . A . 5 LEU HB2 . . . 8 ASP- QB . . . . . 5 LEU QB . . rr_1daq 1 20 4 OR . 1 1 8 8 ASP HB3 H . . . 1 1 5 5 LEU HB3 H . . . . . . . 7.54 . . . . . A . 8 ASP HB3 . . A . 5 LEU HB3 . . . 8 ASP- QB . . . . . 5 LEU QB . . rr_1daq 1 21 1 OR . 1 1 38 38 ASN HD21 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.88 . . . . . A . 38 ASN HD21 . . A . 5 LEU HB2 . . . 38 ASN HD21 . . . . . 5 LEU QB . . rr_1daq 1 21 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 38 38 ASN HD21 H . . . . . . . 6.88 . . . . . A . 5 LEU HB3 . . A . 38 ASN HD21 . . . 5 LEU QB . . . . . 38 ASN HD21 . . rr_1daq 1 22 1 OR . 1 1 38 38 ASN HD22 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.88 . . . . . A . 38 ASN HD22 . . A . 5 LEU HB2 . . . 38 ASN HD22 . . . . . 5 LEU QB . . rr_1daq 1 22 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 38 38 ASN HD22 H . . . . . . . 6.88 . . . . . A . 5 LEU HB3 . . A . 38 ASN HD22 . . . 5 LEU QB . . . . . 38 ASN HD22 . . rr_1daq 1 23 1 . . 1 1 5 5 LEU HG H . . . 1 1 6 6 TYR H H . . . . . . . 5.35 . . . . . A . 5 LEU HG . . A . 6 TYR H . . . 5 LEU HG . . . . . 6 TYR HN . . rr_1daq 1 24 1 . . 1 1 5 5 LEU HG H . . . 1 1 8 8 ASP H H . . . . . . . 4.92 . . . . . A . 5 LEU HG . . A . 8 ASP H . . . 5 LEU HG . . . . . 8 ASP- HN . . rr_1daq 1 25 1 . . 1 1 5 5 LEU HG H . . . 1 1 14 14 LYS HA H . . . . . . . 5.53 . . . . . A . 5 LEU HG . . A . 14 LYS HA . . . 5 LEU HG . . . . . 14 LYS+ HA . . rr_1daq 1 26 1 OR . 1 1 5 5 LEU HG H . . . 1 1 38 38 ASN HD21 H . . . . . . . 6.87 . . . . . A . 5 LEU HG . . A . 38 ASN HD21 . . . 5 LEU HG . . . . . 38 ASN QD2 . . rr_1daq 1 26 2 OR . 1 1 5 5 LEU HG H . . . 1 1 38 38 ASN HD22 H . . . . . . . 6.87 . . . . . A . 5 LEU HG . . A . 38 ASN HD22 . . . 5 LEU HG . . . . . 38 ASN QD2 . . rr_1daq 1 27 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 9.19 . . . . . A . 5 LEU MD1 . . A . 8 ASP HB2 . . . 5 LEU QD1 . . . . . 8 ASP- HB2 . . rr_1daq 1 28 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 8 8 ASP HB3 H . . . . . . . 9.19 . . . . . A . 5 LEU MD1 . . A . 8 ASP HB3 . . . 5 LEU QD1 . . . . . 8 ASP- HB3 . . rr_1daq 1 29 1 . . 1 1 5 5 LEU MD2 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 9.19 . . . . . A . 5 LEU MD2 . . A . 8 ASP HB2 . . . 5 LEU QD2 . . . . . 8 ASP- HB2 . . rr_1daq 1 30 1 . . 1 1 8 8 ASP HB3 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 9.19 . . . . . A . 8 ASP HB3 . . A . 5 LEU MD2 . . . 8 ASP- HB3 . . . . . 5 LEU QD2 . . rr_1daq 1 31 1 OR . 1 1 6 6 TYR H H . . . 1 1 5 5 LEU MD2 H . . . . . . . 7.66 . . . . . A . 6 TYR H . . A . 5 LEU MD2 . . . 6 TYR HN . . . . . 5 LEU QQD . . rr_1daq 1 31 2 OR . 1 1 5 5 LEU MD1 H . . . 1 1 6 6 TYR H H . . . . . . . 7.66 . . . . . A . 5 LEU MD1 . . A . 6 TYR H . . . 5 LEU QQD . . . . . 6 TYR HN . . rr_1daq 1 32 1 OR . 1 1 6 6 TYR HA H . . . 1 1 5 5 LEU MD2 H . . . . . . . 8.60 . . . . . A . 6 TYR HA . . A . 5 LEU MD2 . . . 6 TYR HA . . . . . 5 LEU QQD . . rr_1daq 1 32 2 OR . 1 1 5 5 LEU MD1 H . . . 1 1 6 6 TYR HA H . . . . . . . 8.60 . . . . . A . 5 LEU MD1 . . A . 6 TYR HA . . . 5 LEU QQD . . . . . 6 TYR HA . . rr_1daq 1 33 1 OR . 1 1 5 5 LEU MD2 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 9.47 . . . . . A . 5 LEU MD2 . . A . 6 TYR HB2 . . . 5 LEU QQD . . . . . 6 TYR QB . . rr_1daq 1 33 2 OR . 1 1 5 5 LEU MD1 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 9.47 . . . . . A . 5 LEU MD1 . . A . 6 TYR HB2 . . . 5 LEU QQD . . . . . 6 TYR QB . . rr_1daq 1 33 3 OR . 1 1 6 6 TYR HB3 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 9.47 . . . . . A . 6 TYR HB3 . . A . 5 LEU MD2 . . . 6 TYR QB . . . . . 5 LEU QQD . . rr_1daq 1 33 4 OR . 1 1 5 5 LEU MD1 H . . . 1 1 6 6 TYR HB3 H . . . . . . . 9.47 . . . . . A . 5 LEU MD1 . . A . 6 TYR HB3 . . . 5 LEU QQD . . . . . 6 TYR QB . . rr_1daq 1 34 1 OR . 1 1 6 6 TYR QD H . . . 1 1 5 5 LEU MD2 H . . . . . . . 10.74 . . . . . A . 6 TYR QD . . A . 5 LEU MD2 . . . 6 TYR QD . . . . . 5 LEU QQD . . rr_1daq 1 34 2 OR . 1 1 5 5 LEU MD1 H . . . 1 1 6 6 TYR QD H . . . . . . . 10.74 . . . . . A . 5 LEU MD1 . . A . 6 TYR QD . . . 5 LEU QQD . . . . . 6 TYR QD . . rr_1daq 1 35 1 OR . 1 1 5 5 LEU MD2 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 9.47 . . . . . A . 5 LEU MD2 . . A . 7 GLY HA3 . . . 5 LEU QQD . . . . . 7 GLY QA . . rr_1daq 1 35 2 OR . 1 1 7 7 GLY HA2 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 9.47 . . . . . A . 7 GLY HA2 . . A . 5 LEU MD2 . . . 7 GLY QA . . . . . 5 LEU QQD . . rr_1daq 1 35 3 OR . 1 1 5 5 LEU MD1 H . . . 1 1 7 7 GLY HA2 H . . . . . . . 9.47 . . . . . A . 5 LEU MD1 . . A . 7 GLY HA2 . . . 5 LEU QQD . . . . . 7 GLY QA . . rr_1daq 1 35 4 OR . 1 1 5 5 LEU MD1 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 9.47 . . . . . A . 5 LEU MD1 . . A . 7 GLY HA3 . . . 5 LEU QQD . . . . . 7 GLY QA . . rr_1daq 1 36 1 OR . 1 1 8 8 ASP H H . . . 1 1 5 5 LEU MD2 H . . . . . . . 6.73 . . . . . A . 8 ASP H . . A . 5 LEU MD2 . . . 8 ASP- HN . . . . . 5 LEU QQD . . rr_1daq 1 36 2 OR . 1 1 5 5 LEU MD1 H . . . 1 1 8 8 ASP H H . . . . . . . 6.73 . . . . . A . 5 LEU MD1 . . A . 8 ASP H . . . 5 LEU QQD . . . . . 8 ASP- HN . . rr_1daq 1 37 1 OR . 1 1 5 5 LEU MD2 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 7.36 . . . . . A . 5 LEU MD2 . . A . 8 ASP HB2 . . . 5 LEU QQD . . . . . 8 ASP- QB . . rr_1daq 1 37 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 7.36 . . . . . A . 8 ASP HB3 . . A . 5 LEU MD2 . . . 8 ASP- QB . . . . . 5 LEU QQD . . rr_1daq 1 37 3 OR . 1 1 5 5 LEU MD1 H . . . 1 1 8 8 ASP HB3 H . . . . . . . 7.36 . . . . . A . 5 LEU MD1 . . A . 8 ASP HB3 . . . 5 LEU QQD . . . . . 8 ASP- QB . . rr_1daq 1 37 4 OR . 1 1 5 5 LEU MD1 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 7.36 . . . . . A . 5 LEU MD1 . . A . 8 ASP HB2 . . . 5 LEU QQD . . . . . 8 ASP- QB . . rr_1daq 1 38 1 OR . 1 1 13 13 GLY H H . . . 1 1 5 5 LEU MD2 H . . . . . . . 8.38 . . . . . A . 13 GLY H . . A . 5 LEU MD2 . . . 13 GLY HN . . . . . 5 LEU QQD . . rr_1daq 1 38 2 OR . 1 1 5 5 LEU MD1 H . . . 1 1 13 13 GLY H H . . . . . . . 8.38 . . . . . A . 5 LEU MD1 . . A . 13 GLY H . . . 5 LEU QQD . . . . . 13 GLY HN . . rr_1daq 1 39 1 OR . 1 1 5 5 LEU MD2 H . . . 1 1 13 13 GLY HA2 H . . . . . . . 9.47 . . . . . A . 5 LEU MD2 . . A . 13 GLY HA2 . . . 5 LEU QQD . . . . . 13 GLY QA . . rr_1daq 1 39 2 OR . 1 1 5 5 LEU MD1 H . . . 1 1 13 13 GLY HA2 H . . . . . . . 9.47 . . . . . A . 5 LEU MD1 . . A . 13 GLY HA2 . . . 5 LEU QQD . . . . . 13 GLY QA . . rr_1daq 1 39 3 OR . 1 1 13 13 GLY HA3 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 9.47 . . . . . A . 13 GLY HA3 . . A . 5 LEU MD2 . . . 13 GLY QA . . . . . 5 LEU QQD . . rr_1daq 1 39 4 OR . 1 1 5 5 LEU MD1 H . . . 1 1 13 13 GLY HA3 H . . . . . . . 9.47 . . . . . A . 5 LEU MD1 . . A . 13 GLY HA3 . . . 5 LEU QQD . . . . . 13 GLY QA . . rr_1daq 1 40 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR QE H . . . . . . . 6.87 . . . . . A . 6 TYR H . . A . 6 TYR QE . . . 6 TYR HN . . . . . 6 TYR QE . . rr_1daq 1 41 1 . . 1 1 6 6 TYR H H . . . 1 1 7 7 GLY H H . . . . . . . 4.24 . . . . . A . 6 TYR H . . A . 7 GLY H . . . 6 TYR HN . . . . . 7 GLY HN . . rr_1daq 1 42 1 OR . 1 1 6 6 TYR H H . . . 1 1 14 14 LYS HG2 H . . . . . . . 6.88 . . . . . A . 6 TYR H . . A . 14 LYS HG2 . . . 6 TYR HN . . . . . 14 LYS+ QG . . rr_1daq 1 42 2 OR . 1 1 6 6 TYR H H . . . 1 1 14 14 LYS HG3 H . . . . . . . 6.88 . . . . . A . 6 TYR H . . A . 14 LYS HG3 . . . 6 TYR HN . . . . . 14 LYS+ QG . . rr_1daq 1 43 1 OR . 1 1 6 6 TYR H H . . . 1 1 15 15 VAL MG1 H . . . . . . . 8.59 . . . . . A . 6 TYR H . . A . 15 VAL MG1 . . . 6 TYR HN . . . . . 15 VAL QQG . . rr_1daq 1 43 2 OR . 1 1 6 6 TYR H H . . . 1 1 15 15 VAL MG2 H . . . . . . . 8.59 . . . . . A . 6 TYR H . . A . 15 VAL MG2 . . . 6 TYR HN . . . . . 15 VAL QQG . . rr_1daq 1 44 1 OR . 1 1 6 6 TYR H H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.60 . . . . . A . 6 TYR H . . A . 66 LEU MD2 . . . 6 TYR HN . . . . . 66 LEU QQD . . rr_1daq 1 44 2 OR . 1 1 6 6 TYR H H . . . 1 1 66 66 LEU MD1 H . . . . . . . 8.60 . . . . . A . 6 TYR H . . A . 66 LEU MD1 . . . 6 TYR HN . . . . . 66 LEU QQD . . rr_1daq 1 45 1 . . 1 1 6 6 TYR HA H . . . 1 1 7 7 GLY H H . . . . . . . 2.76 . . . . . A . 6 TYR HA . . A . 7 GLY H . . . 6 TYR HA . . . . . 7 GLY HN . . rr_1daq 1 46 1 . . 1 1 8 8 ASP H H . . . 1 1 6 6 TYR HA H . . . . . . . 4.27 . . . . . A . 8 ASP H . . A . 6 TYR HA . . . 8 ASP- HN . . . . . 6 TYR HA . . rr_1daq 1 47 1 OR . 1 1 6 6 TYR HA H . . . 1 1 38 38 ASN HB2 H . . . . . . . 6.88 . . . . . A . 6 TYR HA . . A . 38 ASN HB2 . . . 6 TYR HA . . . . . 38 ASN QB . . rr_1daq 1 47 2 OR . 1 1 6 6 TYR HA H . . . 1 1 38 38 ASN HB3 H . . . . . . . 6.88 . . . . . A . 6 TYR HA . . A . 38 ASN HB3 . . . 6 TYR HA . . . . . 38 ASN QB . . rr_1daq 1 48 1 OR . 1 1 38 38 ASN HD21 H . . . 1 1 6 6 TYR HA H . . . . . . . 6.87 . . . . . A . 38 ASN HD21 . . A . 6 TYR HA . . . 38 ASN QD2 . . . . . 6 TYR HA . . rr_1daq 1 48 2 OR . 1 1 38 38 ASN HD22 H . . . 1 1 6 6 TYR HA H . . . . . . . 6.87 . . . . . A . 38 ASN HD22 . . A . 6 TYR HA . . . 38 ASN QD2 . . . . . 6 TYR HA . . rr_1daq 1 49 1 OR . 1 1 6 6 TYR HA H . . . 1 1 41 41 LEU MD2 H . . . . . . . 8.60 . . . . . A . 6 TYR HA . . A . 41 LEU MD2 . . . 6 TYR HA . . . . . 41 LEU QQD . . rr_1daq 1 49 2 OR . 1 1 6 6 TYR HA H . . . 1 1 41 41 LEU MD1 H . . . . . . . 8.60 . . . . . A . 6 TYR HA . . A . 41 LEU MD1 . . . 6 TYR HA . . . . . 41 LEU QQD . . rr_1daq 1 50 1 OR . 1 1 38 38 ASN HD21 H . . . 1 1 6 6 TYR HB3 H . . . . . . . 7.74 . . . . . A . 38 ASN HD21 . . A . 6 TYR HB3 . . . 38 ASN QD2 . . . . . 6 TYR QB . . rr_1daq 1 50 2 OR . 1 1 38 38 ASN HD22 H . . . 1 1 6 6 TYR HB3 H . . . . . . . 7.74 . . . . . A . 38 ASN HD22 . . A . 6 TYR HB3 . . . 38 ASN QD2 . . . . . 6 TYR QB . . rr_1daq 1 50 3 OR . 1 1 38 38 ASN HD22 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 7.74 . . . . . A . 38 ASN HD22 . . A . 6 TYR HB2 . . . 38 ASN QD2 . . . . . 6 TYR QB . . rr_1daq 1 50 4 OR . 1 1 38 38 ASN HD21 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 7.74 . . . . . A . 38 ASN HD21 . . A . 6 TYR HB2 . . . 38 ASN QD2 . . . . . 6 TYR QB . . rr_1daq 1 51 1 OR . 1 1 6 6 TYR HB3 H . . . 1 1 41 41 LEU MD1 H . . . . . . . 7.90 . . . . . A . 6 TYR HB3 . . A . 41 LEU MD1 . . . 6 TYR QB . . . . . 41 LEU QD1 . . rr_1daq 1 51 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 7.90 . . . . . A . 41 LEU MD1 . . A . 6 TYR HB2 . . . 41 LEU QD1 . . . . . 6 TYR QB . . rr_1daq 1 52 1 OR . 1 1 6 6 TYR HB2 H . . . 1 1 41 41 LEU MD2 H . . . . . . . 7.90 . . . . . A . 6 TYR HB2 . . A . 41 LEU MD2 . . . 6 TYR QB . . . . . 41 LEU QD2 . . rr_1daq 1 52 2 OR . 1 1 6 6 TYR HB3 H . . . 1 1 41 41 LEU MD2 H . . . . . . . 7.90 . . . . . A . 6 TYR HB3 . . A . 41 LEU MD2 . . . 6 TYR QB . . . . . 41 LEU QD2 . . rr_1daq 1 53 1 OR . 1 1 6 6 TYR HB2 H . . . 1 1 41 41 LEU MD2 H . . . . . . . 7.44 . . . . . A . 6 TYR HB2 . . A . 41 LEU MD2 . . . 6 TYR QB . . . . . 41 LEU QQD . . rr_1daq 1 53 2 OR . 1 1 6 6 TYR HB3 H . . . 1 1 41 41 LEU MD2 H . . . . . . . 7.44 . . . . . A . 6 TYR HB3 . . A . 41 LEU MD2 . . . 6 TYR QB . . . . . 41 LEU QQD . . rr_1daq 1 53 3 OR . 1 1 41 41 LEU MD1 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 7.44 . . . . . A . 41 LEU MD1 . . A . 6 TYR HB2 . . . 41 LEU QQD . . . . . 6 TYR QB . . rr_1daq 1 53 4 OR . 1 1 6 6 TYR HB3 H . . . 1 1 41 41 LEU MD1 H . . . . . . . 7.44 . . . . . A . 6 TYR HB3 . . A . 41 LEU MD1 . . . 6 TYR QB . . . . . 41 LEU QQD . . rr_1daq 1 54 1 OR . 1 1 6 6 TYR HB3 H . . . 1 1 66 66 LEU HB2 H . . . . . . . 7.75 . . . . . A . 6 TYR HB3 . . A . 66 LEU HB2 . . . 6 TYR QB . . . . . 66 LEU QB . . rr_1daq 1 54 2 OR . 1 1 6 6 TYR HB2 H . . . 1 1 66 66 LEU HB2 H . . . . . . . 7.75 . . . . . A . 6 TYR HB2 . . A . 66 LEU HB2 . . . 6 TYR QB . . . . . 66 LEU QB . . rr_1daq 1 54 3 OR . 1 1 66 66 LEU HB3 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 7.75 . . . . . A . 66 LEU HB3 . . A . 6 TYR HB2 . . . 66 LEU QB . . . . . 6 TYR QB . . rr_1daq 1 54 4 OR . 1 1 6 6 TYR HB3 H . . . 1 1 66 66 LEU HB3 H . . . . . . . 7.75 . . . . . A . 6 TYR HB3 . . A . 66 LEU HB3 . . . 6 TYR QB . . . . . 66 LEU QB . . rr_1daq 1 55 1 OR . 1 1 66 66 LEU HG H . . . 1 1 6 6 TYR HB2 H . . . . . . . 6.88 . . . . . A . 66 LEU HG . . A . 6 TYR HB2 . . . 66 LEU HG . . . . . 6 TYR QB . . rr_1daq 1 55 2 OR . 1 1 6 6 TYR HB3 H . . . 1 1 66 66 LEU HG H . . . . . . . 6.88 . . . . . A . 6 TYR HB3 . . A . 66 LEU HG . . . 6 TYR QB . . . . . 66 LEU HG . . rr_1daq 1 56 1 OR . 1 1 6 6 TYR HB3 H . . . 1 1 66 66 LEU MD1 H . . . . . . . 7.90 . . . . . A . 6 TYR HB3 . . A . 66 LEU MD1 . . . 6 TYR QB . . . . . 66 LEU QD1 . . rr_1daq 1 56 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 7.90 . . . . . A . 66 LEU MD1 . . A . 6 TYR HB2 . . . 66 LEU QD1 . . . . . 6 TYR QB . . rr_1daq 1 57 1 OR . 1 1 6 6 TYR HB3 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 7.90 . . . . . A . 6 TYR HB3 . . A . 66 LEU MD2 . . . 6 TYR QB . . . . . 66 LEU QD2 . . rr_1daq 1 57 2 OR . 1 1 6 6 TYR HB2 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 7.90 . . . . . A . 6 TYR HB2 . . A . 66 LEU MD2 . . . 6 TYR QB . . . . . 66 LEU QD2 . . rr_1daq 1 58 1 OR . 1 1 6 6 TYR HB3 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 7.55 . . . . . A . 6 TYR HB3 . . A . 66 LEU MD2 . . . 6 TYR QB . . . . . 66 LEU QQD . . rr_1daq 1 58 2 OR . 1 1 6 6 TYR HB2 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 7.55 . . . . . A . 6 TYR HB2 . . A . 66 LEU MD2 . . . 6 TYR QB . . . . . 66 LEU QQD . . rr_1daq 1 58 3 OR . 1 1 66 66 LEU MD1 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 7.55 . . . . . A . 66 LEU MD1 . . A . 6 TYR HB2 . . . 66 LEU QQD . . . . . 6 TYR QB . . rr_1daq 1 58 4 OR . 1 1 6 6 TYR HB3 H . . . 1 1 66 66 LEU MD1 H . . . . . . . 7.55 . . . . . A . 6 TYR HB3 . . A . 66 LEU MD1 . . . 6 TYR QB . . . . . 66 LEU QQD . . rr_1daq 1 59 1 OR . 1 1 68 68 TYR QE H . . . 1 1 6 6 TYR HB2 H . . . . . . . 9.01 . . . . . A . 68 TYR QE . . A . 6 TYR HB2 . . . 68 TYR QE . . . . . 6 TYR QB . . rr_1daq 1 59 2 OR . 1 1 6 6 TYR HB3 H . . . 1 1 68 68 TYR QE H . . . . . . . 9.01 . . . . . A . 6 TYR HB3 . . A . 68 TYR QE . . . 6 TYR QB . . . . . 68 TYR QE . . rr_1daq 1 60 1 . . 1 1 6 6 TYR QD H . . . 1 1 7 7 GLY H H . . . . . . . 8.14 . . . . . A . 6 TYR QD . . A . 7 GLY H . . . 6 TYR QD . . . . . 7 GLY HN . . rr_1daq 1 61 1 OR . 1 1 6 6 TYR QD H . . . 1 1 14 14 LYS HB2 H . . . . . . . 9.02 . . . . . A . 6 TYR QD . . A . 14 LYS HB2 . . . 6 TYR QD . . . . . 14 LYS+ QB . . rr_1daq 1 61 2 OR . 1 1 6 6 TYR QD H . . . 1 1 14 14 LYS HB3 H . . . . . . . 9.02 . . . . . A . 6 TYR QD . . A . 14 LYS HB3 . . . 6 TYR QD . . . . . 14 LYS+ QB . . rr_1daq 1 62 1 . . 1 1 6 6 TYR QD H . . . 1 1 38 38 ASN HA H . . . . . . . 8.14 . . . . . A . 6 TYR QD . . A . 38 ASN HA . . . 6 TYR QD . . . . . 38 ASN HA . . rr_1daq 1 63 1 . . 1 1 6 6 TYR QD H . . . 1 1 39 39 ALA MB H . . . . . . . 9.17 . . . . . A . 6 TYR QD . . A . 39 ALA MB . . . 6 TYR QD . . . . . 39 ALA QB . . rr_1daq 1 64 1 . . 1 1 6 6 TYR QD H . . . 1 1 41 41 LEU HA H . . . . . . . 8.14 . . . . . A . 6 TYR QD . . A . 41 LEU HA . . . 6 TYR QD . . . . . 41 LEU HA . . rr_1daq 1 65 1 OR . 1 1 6 6 TYR QD H . . . 1 1 41 41 LEU HB2 H . . . . . . . 9.02 . . . . . A . 6 TYR QD . . A . 41 LEU HB2 . . . 6 TYR QD . . . . . 41 LEU QB . . rr_1daq 1 65 2 OR . 1 1 6 6 TYR QD H . . . 1 1 41 41 LEU HB3 H . . . . . . . 9.02 . . . . . A . 6 TYR QD . . A . 41 LEU HB3 . . . 6 TYR QD . . . . . 41 LEU QB . . rr_1daq 1 66 1 OR . 1 1 6 6 TYR QD H . . . 1 1 41 41 LEU MD2 H . . . . . . . 10.27 . . . . . A . 6 TYR QD . . A . 41 LEU MD2 . . . 6 TYR QD . . . . . 41 LEU QQD . . rr_1daq 1 66 2 OR . 1 1 6 6 TYR QD H . . . 1 1 41 41 LEU MD1 H . . . . . . . 10.27 . . . . . A . 6 TYR QD . . A . 41 LEU MD1 . . . 6 TYR QD . . . . . 41 LEU QQD . . rr_1daq 1 67 1 . . 1 1 6 6 TYR QE H . . . 1 1 7 7 GLY H H . . . . . . . 8.13 . . . . . A . 6 TYR QE . . A . 7 GLY H . . . 6 TYR QE . . . . . 7 GLY HN . . rr_1daq 1 68 1 OR . 1 1 6 6 TYR QE H . . . 1 1 14 14 LYS HB2 H . . . . . . . 9.01 . . . . . A . 6 TYR QE . . A . 14 LYS HB2 . . . 6 TYR QE . . . . . 14 LYS+ QB . . rr_1daq 1 68 2 OR . 1 1 6 6 TYR QE H . . . 1 1 14 14 LYS HB3 H . . . . . . . 9.01 . . . . . A . 6 TYR QE . . A . 14 LYS HB3 . . . 6 TYR QE . . . . . 14 LYS+ QB . . rr_1daq 1 69 1 . . 1 1 6 6 TYR QE H . . . 1 1 38 38 ASN HB2 H . . . . . . . 8.13 . . . . . A . 6 TYR QE . . A . 38 ASN HB2 . . . 6 TYR QE . . . . . 38 ASN HB2 . . rr_1daq 1 70 1 . . 1 1 6 6 TYR QE H . . . 1 1 38 38 ASN HB3 H . . . . . . . 8.13 . . . . . A . 6 TYR QE . . A . 38 ASN HB3 . . . 6 TYR QE . . . . . 38 ASN HB3 . . rr_1daq 1 71 1 OR . 1 1 6 6 TYR QE H . . . 1 1 40 40 ASP HB2 H . . . . . . . 9.01 . . . . . A . 6 TYR QE . . A . 40 ASP HB2 . . . 6 TYR QE . . . . . 40 ASP- QB . . rr_1daq 1 71 2 OR . 1 1 6 6 TYR QE H . . . 1 1 40 40 ASP HB3 H . . . . . . . 9.01 . . . . . A . 6 TYR QE . . A . 40 ASP HB3 . . . 6 TYR QE . . . . . 40 ASP- QB . . rr_1daq 1 72 1 . . 1 1 6 6 TYR QE H . . . 1 1 41 41 LEU HA H . . . . . . . 8.13 . . . . . A . 6 TYR QE . . A . 41 LEU HA . . . 6 TYR QE . . . . . 41 LEU HA . . rr_1daq 1 73 1 OR . 1 1 6 6 TYR QE H . . . 1 1 41 41 LEU MD2 H . . . . . . . 10.73 . . . . . A . 6 TYR QE . . A . 41 LEU MD2 . . . 6 TYR QE . . . . . 41 LEU QQD . . rr_1daq 1 73 2 OR . 1 1 6 6 TYR QE H . . . 1 1 41 41 LEU MD1 H . . . . . . . 10.73 . . . . . A . 6 TYR QE . . A . 41 LEU MD1 . . . 6 TYR QE . . . . . 41 LEU QQD . . rr_1daq 1 74 1 OR . 1 1 6 6 TYR QE H . . . 1 1 55 55 LEU HB2 H . . . . . . . 9.01 . . . . . A . 6 TYR QE . . A . 55 LEU HB2 . . . 6 TYR QE . . . . . 55 LEU QB . . rr_1daq 1 74 2 OR . 1 1 6 6 TYR QE H . . . 1 1 55 55 LEU HB3 H . . . . . . . 9.01 . . . . . A . 6 TYR QE . . A . 55 LEU HB3 . . . 6 TYR QE . . . . . 55 LEU QB . . rr_1daq 1 75 1 . . 1 1 8 8 ASP H H . . . 1 1 7 7 GLY H H . . . . . . . 3.34 . . . . . A . 8 ASP H . . A . 7 GLY H . . . 8 ASP- HN . . . . . 7 GLY HN . . rr_1daq 1 76 1 OR . 1 1 7 7 GLY H H . . . 1 1 37 37 ASP HB2 H . . . . . . . 6.73 . . . . . A . 7 GLY H . . A . 37 ASP HB2 . . . 7 GLY HN . . . . . 37 ASP- QB . . rr_1daq 1 76 2 OR . 1 1 7 7 GLY H H . . . 1 1 37 37 ASP HB3 H . . . . . . . 6.73 . . . . . A . 7 GLY H . . A . 37 ASP HB3 . . . 7 GLY HN . . . . . 37 ASP- QB . . rr_1daq 1 77 1 . . 1 1 7 7 GLY H H . . . 1 1 38 38 ASN HB2 H . . . . . . . 6.00 . . . . . A . 7 GLY H . . A . 38 ASN HB2 . . . 7 GLY HN . . . . . 38 ASN HB2 . . rr_1daq 1 78 1 . . 1 1 7 7 GLY H H . . . 1 1 38 38 ASN HB3 H . . . . . . . 6.00 . . . . . A . 7 GLY H . . A . 38 ASN HB3 . . . 7 GLY HN . . . . . 38 ASN HB3 . . rr_1daq 1 79 1 OR . 1 1 7 7 GLY H H . . . 1 1 38 38 ASN HB2 H . . . . . . . 5.21 . . . . . A . 7 GLY H . . A . 38 ASN HB2 . . . 7 GLY HN . . . . . 38 ASN QB . . rr_1daq 1 79 2 OR . 1 1 7 7 GLY H H . . . 1 1 38 38 ASN HB3 H . . . . . . . 5.21 . . . . . A . 7 GLY H . . A . 38 ASN HB3 . . . 7 GLY HN . . . . . 38 ASN QB . . rr_1daq 1 80 1 . . 1 1 7 7 GLY H H . . . 1 1 39 39 ALA HA H . . . . . . . 5.06 . . . . . A . 7 GLY H . . A . 39 ALA HA . . . 7 GLY HN . . . . . 39 ALA HA . . rr_1daq 1 81 1 . . 1 1 7 7 GLY H H . . . 1 1 41 41 LEU MD1 H . . . . . . . 7.03 . . . . . A . 7 GLY H . . A . 41 LEU MD1 . . . 7 GLY HN . . . . . 41 LEU QD1 . . rr_1daq 1 82 1 . . 1 1 7 7 GLY H H . . . 1 1 41 41 LEU MD2 H . . . . . . . 7.03 . . . . . A . 7 GLY H . . A . 41 LEU MD2 . . . 7 GLY HN . . . . . 41 LEU QD2 . . rr_1daq 1 83 1 OR . 1 1 7 7 GLY H H . . . 1 1 41 41 LEU MD2 H . . . . . . . 6.70 . . . . . A . 7 GLY H . . A . 41 LEU MD2 . . . 7 GLY HN . . . . . 41 LEU QQD . . rr_1daq 1 83 2 OR . 1 1 7 7 GLY H H . . . 1 1 41 41 LEU MD1 H . . . . . . . 6.70 . . . . . A . 7 GLY H . . A . 41 LEU MD1 . . . 7 GLY HN . . . . . 41 LEU QQD . . rr_1daq 1 84 1 OR . 1 1 7 7 GLY H H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.60 . . . . . A . 7 GLY H . . A . 66 LEU MD2 . . . 7 GLY HN . . . . . 66 LEU QQD . . rr_1daq 1 84 2 OR . 1 1 7 7 GLY H H . . . 1 1 66 66 LEU MD1 H . . . . . . . 8.60 . . . . . A . 7 GLY H . . A . 66 LEU MD1 . . . 7 GLY HN . . . . . 66 LEU QQD . . rr_1daq 1 85 1 . . 1 1 7 7 GLY HA2 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.48 . . . . . A . 7 GLY HA2 . . A . 15 VAL MG1 . . . 7 GLY HA1 . . . . . 15 VAL QG1 . . rr_1daq 1 86 1 . . 1 1 7 7 GLY HA2 H . . . 1 1 15 15 VAL MG2 H . . . . . . . 7.48 . . . . . A . 7 GLY HA2 . . A . 15 VAL MG2 . . . 7 GLY HA1 . . . . . 15 VAL QG2 . . rr_1daq 1 87 1 . . 1 1 7 7 GLY HA3 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.48 . . . . . A . 7 GLY HA3 . . A . 15 VAL MG1 . . . 7 GLY HA2 . . . . . 15 VAL QG1 . . rr_1daq 1 88 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 7.48 . . . . . A . 15 VAL MG2 . . A . 7 GLY HA3 . . . 15 VAL QG2 . . . . . 7 GLY HA2 . . rr_1daq 1 89 1 OR . 1 1 7 7 GLY HA3 H . . . 1 1 9 9 VAL MG1 H . . . . . . . 9.36 . . . . . A . 7 GLY HA3 . . A . 9 VAL MG1 . . . 7 GLY QA . . . . . 9 VAL QQG . . rr_1daq 1 89 2 OR . 1 1 7 7 GLY HA2 H . . . 1 1 9 9 VAL MG1 H . . . . . . . 9.36 . . . . . A . 7 GLY HA2 . . A . 9 VAL MG1 . . . 7 GLY QA . . . . . 9 VAL QQG . . rr_1daq 1 89 3 OR . 1 1 9 9 VAL MG2 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 9.36 . . . . . A . 9 VAL MG2 . . A . 7 GLY HA3 . . . 9 VAL QQG . . . . . 7 GLY QA . . rr_1daq 1 89 4 OR . 1 1 7 7 GLY HA2 H . . . 1 1 9 9 VAL MG2 H . . . . . . . 9.36 . . . . . A . 7 GLY HA2 . . A . 9 VAL MG2 . . . 7 GLY QA . . . . . 9 VAL QQG . . rr_1daq 1 90 1 OR . 1 1 7 7 GLY HA2 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 6.37 . . . . . A . 7 GLY HA2 . . A . 15 VAL MG1 . . . 7 GLY QA . . . . . 15 VAL QQG . . rr_1daq 1 90 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 6.37 . . . . . A . 7 GLY HA3 . . A . 15 VAL MG1 . . . 7 GLY QA . . . . . 15 VAL QQG . . rr_1daq 1 90 3 OR . 1 1 15 15 VAL MG2 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 6.37 . . . . . A . 15 VAL MG2 . . A . 7 GLY HA3 . . . 15 VAL QQG . . . . . 7 GLY QA . . rr_1daq 1 90 4 OR . 1 1 7 7 GLY HA2 H . . . 1 1 15 15 VAL MG2 H . . . . . . . 6.37 . . . . . A . 7 GLY HA2 . . A . 15 VAL MG2 . . . 7 GLY QA . . . . . 15 VAL QQG . . rr_1daq 1 91 1 OR . 1 1 7 7 GLY HA2 H . . . 1 1 41 41 LEU MD2 H . . . . . . . 8.90 . . . . . A . 7 GLY HA2 . . A . 41 LEU MD2 . . . 7 GLY QA . . . . . 41 LEU QQD . . rr_1daq 1 91 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 41 41 LEU MD2 H . . . . . . . 8.90 . . . . . A . 7 GLY HA3 . . A . 41 LEU MD2 . . . 7 GLY QA . . . . . 41 LEU QQD . . rr_1daq 1 91 3 OR . 1 1 41 41 LEU MD1 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 8.90 . . . . . A . 41 LEU MD1 . . A . 7 GLY HA3 . . . 41 LEU QQD . . . . . 7 GLY QA . . rr_1daq 1 91 4 OR . 1 1 7 7 GLY HA2 H . . . 1 1 41 41 LEU MD1 H . . . . . . . 8.90 . . . . . A . 7 GLY HA2 . . A . 41 LEU MD1 . . . 7 GLY QA . . . . . 41 LEU QQD . . rr_1daq 1 92 1 OR . 1 1 7 7 GLY HA3 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 9.47 . . . . . A . 7 GLY HA3 . . A . 66 LEU MD2 . . . 7 GLY QA . . . . . 66 LEU QQD . . rr_1daq 1 92 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 9.47 . . . . . A . 66 LEU MD1 . . A . 7 GLY HA3 . . . 66 LEU QQD . . . . . 7 GLY QA . . rr_1daq 1 92 3 OR . 1 1 7 7 GLY HA2 H . . . 1 1 66 66 LEU MD1 H . . . . . . . 9.47 . . . . . A . 7 GLY HA2 . . A . 66 LEU MD1 . . . 7 GLY QA . . . . . 66 LEU QQD . . rr_1daq 1 92 4 OR . 1 1 7 7 GLY HA2 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 9.47 . . . . . A . 7 GLY HA2 . . A . 66 LEU MD2 . . . 7 GLY QA . . . . . 66 LEU QQD . . rr_1daq 1 93 1 . . 1 1 8 8 ASP H H . . . 1 1 8 8 ASP HB2 H . . . . . . . 3.41 . . . . . A . 8 ASP H . . A . 8 ASP HB2 . . . 8 ASP- HN . . . . . 8 ASP- HB2 . . rr_1daq 1 94 1 . . 1 1 8 8 ASP HB3 H . . . 1 1 8 8 ASP H H . . . . . . . 3.41 . . . . . A . 8 ASP HB3 . . A . 8 ASP H . . . 8 ASP- HB3 . . . . . 8 ASP- HN . . rr_1daq 1 95 1 OR . 1 1 8 8 ASP H H . . . 1 1 8 8 ASP HB2 H . . . . . . . 3.20 . . . . . A . 8 ASP H . . A . 8 ASP HB2 . . . 8 ASP- HN . . . . . 8 ASP- QB . . rr_1daq 1 95 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 8 8 ASP H H . . . . . . . 3.20 . . . . . A . 8 ASP HB3 . . A . 8 ASP H . . . 8 ASP- QB . . . . . 8 ASP- HN . . rr_1daq 1 96 1 OR . 1 1 8 8 ASP H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 8.59 . . . . . A . 8 ASP H . . A . 9 VAL MG1 . . . 8 ASP- HN . . . . . 9 VAL QQG . . rr_1daq 1 96 2 OR . 1 1 8 8 ASP H H . . . 1 1 9 9 VAL MG2 H . . . . . . . 8.59 . . . . . A . 8 ASP H . . A . 9 VAL MG2 . . . 8 ASP- HN . . . . . 9 VAL QQG . . rr_1daq 1 97 1 OR . 1 1 8 8 ASP H H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.62 . . . . . A . 8 ASP H . . A . 15 VAL MG1 . . . 8 ASP- HN . . . . . 15 VAL QQG . . rr_1daq 1 97 2 OR . 1 1 8 8 ASP H H . . . 1 1 15 15 VAL MG2 H . . . . . . . 7.62 . . . . . A . 8 ASP H . . A . 15 VAL MG2 . . . 8 ASP- HN . . . . . 15 VAL QQG . . rr_1daq 1 98 1 OR . 1 1 8 8 ASP H H . . . 1 1 35 35 ASN HB2 H . . . . . . . 4.54 . . . . . A . 8 ASP H . . A . 35 ASN HB2 . . . 8 ASP- HN . . . . . 35 ASN QB . . rr_1daq 1 98 2 OR . 1 1 8 8 ASP H H . . . 1 1 35 35 ASN HB3 H . . . . . . . 4.54 . . . . . A . 8 ASP H . . A . 35 ASN HB3 . . . 8 ASP- HN . . . . . 35 ASN QB . . rr_1daq 1 99 1 OR . 1 1 8 8 ASP H H . . . 1 1 38 38 ASN HB2 H . . . . . . . 6.08 . . . . . A . 8 ASP H . . A . 38 ASN HB2 . . . 8 ASP- HN . . . . . 38 ASN QB . . rr_1daq 1 99 2 OR . 1 1 8 8 ASP H H . . . 1 1 38 38 ASN HB3 H . . . . . . . 6.08 . . . . . A . 8 ASP H . . A . 38 ASN HB3 . . . 8 ASP- HN . . . . . 38 ASN QB . . rr_1daq 1 100 1 . . 1 1 8 8 ASP HA H . . . 1 1 9 9 VAL H H . . . . . . . 3.05 . . . . . A . 8 ASP HA . . A . 9 VAL H . . . 8 ASP- HA . . . . . 9 VAL HN . . rr_1daq 1 101 1 OR . 1 1 8 8 ASP HA H . . . 1 1 9 9 VAL MG1 H . . . . . . . 8.59 . . . . . A . 8 ASP HA . . A . 9 VAL MG1 . . . 8 ASP- HA . . . . . 9 VAL QQG . . rr_1daq 1 101 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 8 8 ASP HA H . . . . . . . 8.59 . . . . . A . 9 VAL MG2 . . A . 8 ASP HA . . . 9 VAL QQG . . . . . 8 ASP- HA . . rr_1daq 1 102 1 . . 1 1 8 8 ASP HA H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.03 . . . . . A . 8 ASP HA . . A . 15 VAL MG1 . . . 8 ASP- HA . . . . . 15 VAL QG1 . . rr_1daq 1 103 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 8 8 ASP HA H . . . . . . . 7.03 . . . . . A . 15 VAL MG2 . . A . 8 ASP HA . . . 15 VAL QG2 . . . . . 8 ASP- HA . . rr_1daq 1 104 1 OR . 1 1 8 8 ASP HA H . . . 1 1 15 15 VAL MG1 H . . . . . . . 6.35 . . . . . A . 8 ASP HA . . A . 15 VAL MG1 . . . 8 ASP- HA . . . . . 15 VAL QQG . . rr_1daq 1 104 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 8 8 ASP HA H . . . . . . . 6.35 . . . . . A . 15 VAL MG2 . . A . 8 ASP HA . . . 15 VAL QQG . . . . . 8 ASP- HA . . rr_1daq 1 105 1 . . 1 1 8 8 ASP HB2 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 10.15 . . . . . A . 8 ASP HB2 . . A . 15 VAL MG1 . . . 8 ASP- HB2 . . . . . 15 VAL QG1 . . rr_1daq 1 106 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 10.15 . . . . . A . 15 VAL MG2 . . A . 8 ASP HB2 . . . 15 VAL QG2 . . . . . 8 ASP- HB2 . . rr_1daq 1 107 1 . . 1 1 38 38 ASN HD21 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 7.39 . . . . . A . 38 ASN HD21 . . A . 8 ASP HB2 . . . 38 ASN HD21 . . . . . 8 ASP- HB2 . . rr_1daq 1 108 1 . . 1 1 38 38 ASN HD22 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 7.39 . . . . . A . 38 ASN HD22 . . A . 8 ASP HB2 . . . 38 ASN HD22 . . . . . 8 ASP- HB2 . . rr_1daq 1 109 1 . . 1 1 8 8 ASP HB3 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 10.15 . . . . . A . 8 ASP HB3 . . A . 15 VAL MG1 . . . 8 ASP- HB3 . . . . . 15 VAL QG1 . . rr_1daq 1 110 1 . . 1 1 8 8 ASP HB3 H . . . 1 1 15 15 VAL MG2 H . . . . . . . 10.15 . . . . . A . 8 ASP HB3 . . A . 15 VAL MG2 . . . 8 ASP- HB3 . . . . . 15 VAL QG2 . . rr_1daq 1 111 1 . . 1 1 8 8 ASP HB3 H . . . 1 1 38 38 ASN HD21 H . . . . . . . 7.39 . . . . . A . 8 ASP HB3 . . A . 38 ASN HD21 . . . 8 ASP- HB3 . . . . . 38 ASN HD21 . . rr_1daq 1 112 1 . . 1 1 8 8 ASP HB3 H . . . 1 1 38 38 ASN HD22 H . . . . . . . 7.39 . . . . . A . 8 ASP HB3 . . A . 38 ASN HD22 . . . 8 ASP- HB3 . . . . . 38 ASN HD22 . . rr_1daq 1 113 1 OR . 1 1 13 13 GLY H H . . . 1 1 8 8 ASP HB2 H . . . . . . . 6.88 . . . . . A . 13 GLY H . . A . 8 ASP HB2 . . . 13 GLY HN . . . . . 8 ASP- QB . . rr_1daq 1 113 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 13 13 GLY H H . . . . . . . 6.88 . . . . . A . 8 ASP HB3 . . A . 13 GLY H . . . 8 ASP- QB . . . . . 13 GLY HN . . rr_1daq 1 114 1 OR . 1 1 14 14 LYS H H . . . 1 1 8 8 ASP HB2 H . . . . . . . 6.88 . . . . . A . 14 LYS H . . A . 8 ASP HB2 . . . 14 LYS+ HN . . . . . 8 ASP- QB . . rr_1daq 1 114 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 14 14 LYS H H . . . . . . . 6.88 . . . . . A . 8 ASP HB3 . . A . 14 LYS H . . . 8 ASP- QB . . . . . 14 LYS+ HN . . rr_1daq 1 115 1 OR . 1 1 8 8 ASP HB3 H . . . 1 1 14 14 LYS HG2 H . . . . . . . 7.75 . . . . . A . 8 ASP HB3 . . A . 14 LYS HG2 . . . 8 ASP- QB . . . . . 14 LYS+ QG . . rr_1daq 1 115 2 OR . 1 1 8 8 ASP HB2 H . . . 1 1 14 14 LYS HG2 H . . . . . . . 7.75 . . . . . A . 8 ASP HB2 . . A . 14 LYS HG2 . . . 8 ASP- QB . . . . . 14 LYS+ QG . . rr_1daq 1 115 3 OR . 1 1 14 14 LYS HG3 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 7.75 . . . . . A . 14 LYS HG3 . . A . 8 ASP HB2 . . . 14 LYS+ QG . . . . . 8 ASP- QB . . rr_1daq 1 115 4 OR . 1 1 8 8 ASP HB3 H . . . 1 1 14 14 LYS HG3 H . . . . . . . 7.75 . . . . . A . 8 ASP HB3 . . A . 14 LYS HG3 . . . 8 ASP- QB . . . . . 14 LYS+ QG . . rr_1daq 1 116 1 OR . 1 1 8 8 ASP HB2 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.74 . . . . . A . 8 ASP HB2 . . A . 15 VAL MG1 . . . 8 ASP- QB . . . . . 15 VAL QQG . . rr_1daq 1 116 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.74 . . . . . A . 8 ASP HB3 . . A . 15 VAL MG1 . . . 8 ASP- QB . . . . . 15 VAL QQG . . rr_1daq 1 116 3 OR . 1 1 15 15 VAL MG2 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 7.74 . . . . . A . 15 VAL MG2 . . A . 8 ASP HB2 . . . 15 VAL QQG . . . . . 8 ASP- QB . . rr_1daq 1 116 4 OR . 1 1 8 8 ASP HB3 H . . . 1 1 15 15 VAL MG2 H . . . . . . . 7.74 . . . . . A . 8 ASP HB3 . . A . 15 VAL MG2 . . . 8 ASP- QB . . . . . 15 VAL QQG . . rr_1daq 1 117 1 OR . 1 1 38 38 ASN HD22 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 6.42 . . . . . A . 38 ASN HD22 . . A . 8 ASP HB2 . . . 38 ASN QD2 . . . . . 8 ASP- QB . . rr_1daq 1 117 2 OR . 1 1 8 8 ASP HB3 H . . . 1 1 38 38 ASN HD22 H . . . . . . . 6.42 . . . . . A . 8 ASP HB3 . . A . 38 ASN HD22 . . . 8 ASP- QB . . . . . 38 ASN QD2 . . rr_1daq 1 117 3 OR . 1 1 8 8 ASP HB3 H . . . 1 1 38 38 ASN HD21 H . . . . . . . 6.42 . . . . . A . 8 ASP HB3 . . A . 38 ASN HD21 . . . 8 ASP- QB . . . . . 38 ASN QD2 . . rr_1daq 1 117 4 OR . 1 1 38 38 ASN HD21 H . . . 1 1 8 8 ASP HB2 H . . . . . . . 6.42 . . . . . A . 38 ASN HD21 . . A . 8 ASP HB2 . . . 38 ASN QD2 . . . . . 8 ASP- QB . . rr_1daq 1 118 1 . . 1 1 8 8 ASP CG C . . . 2 2 1 1 CA CA Ca . . . . . . . 4.00 . . . . . A . 8 ASP CG . . A . 72 CA CA . . . 8 ASP- CG . . . . . 84 CA CA . . rr_1daq 1 119 1 . . 1 1 9 9 VAL H H . . . 1 1 9 9 VAL HB H . . . . . . . 3.66 . . . . . A . 9 VAL H . . A . 9 VAL HB . . . 9 VAL HN . . . . . 9 VAL HB . . rr_1daq 1 120 1 . . 1 1 9 9 VAL H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 4.76 . . . . . A . 9 VAL H . . A . 9 VAL MG1 . . . 9 VAL HN . . . . . 9 VAL QG1 . . rr_1daq 1 121 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 9 9 VAL H H . . . . . . . 4.76 . . . . . A . 9 VAL MG2 . . A . 9 VAL H . . . 9 VAL QG2 . . . . . 9 VAL HN . . rr_1daq 1 122 1 . . 1 1 9 9 VAL H H . . . 1 1 11 11 ASP H H . . . . . . . 4.24 . . . . . A . 9 VAL H . . A . 11 ASP H . . . 9 VAL HN . . . . . 11 ASP- HN . . rr_1daq 1 123 1 . . 1 1 14 14 LYS HA H . . . 1 1 9 9 VAL H H . . . . . . . 6.00 . . . . . A . 14 LYS HA . . A . 9 VAL H . . . 14 LYS+ HA . . . . . 9 VAL HN . . rr_1daq 1 124 1 . . 1 1 9 9 VAL H H . . . 1 1 19 19 ASP HB2 H . . . . . . . 6.00 . . . . . A . 9 VAL H . . A . 19 ASP HB2 . . . 9 VAL HN . . . . . 19 ASP- HB2 . . rr_1daq 1 125 1 . . 1 1 9 9 VAL H H . . . 1 1 19 19 ASP HB3 H . . . . . . . 6.00 . . . . . A . 9 VAL H . . A . 19 ASP HB3 . . . 9 VAL HN . . . . . 19 ASP- HB3 . . rr_1daq 1 126 1 OR . 1 1 9 9 VAL H H . . . 1 1 19 19 ASP HB2 H . . . . . . . 5.27 . . . . . A . 9 VAL H . . A . 19 ASP HB2 . . . 9 VAL HN . . . . . 19 ASP- QB . . rr_1daq 1 126 2 OR . 1 1 9 9 VAL H H . . . 1 1 19 19 ASP HB3 H . . . . . . . 5.27 . . . . . A . 9 VAL H . . A . 19 ASP HB3 . . . 9 VAL HN . . . . . 19 ASP- QB . . rr_1daq 1 127 1 . . 1 1 9 9 VAL HA H . . . 1 1 10 10 ASN HA H . . . . . . . 5.28 . . . . . A . 9 VAL HA . . A . 10 ASN HA . . . 9 VAL HA . . . . . 10 ASN HA . . rr_1daq 1 128 1 . . 1 1 11 11 ASP H H . . . 1 1 9 9 VAL HA H . . . . . . . 5.21 . . . . . A . 11 ASP H . . A . 9 VAL HA . . . 11 ASP- HN . . . . . 9 VAL HA . . rr_1daq 1 129 1 . . 1 1 9 9 VAL HA H . . . 1 1 15 15 VAL HB H . . . . . . . 6.00 . . . . . A . 9 VAL HA . . A . 15 VAL HB . . . 9 VAL HA . . . . . 15 VAL HB . . rr_1daq 1 130 1 . . 1 1 9 9 VAL HA H . . . 1 1 34 34 ILE H H . . . . . . . 6.00 . . . . . A . 9 VAL HA . . A . 34 ILE H . . . 9 VAL HA . . . . . 34 ILE HN . . rr_1daq 1 131 1 . . 1 1 9 9 VAL HA H . . . 1 1 34 34 ILE MD H . . . . . . . 7.03 . . . . . A . 9 VAL HA . . A . 34 ILE MD . . . 9 VAL HA . . . . . 34 ILE QD1 . . rr_1daq 1 132 1 . . 1 1 9 9 VAL HA H . . . 1 1 35 35 ASN H H . . . . . . . 4.02 . . . . . A . 9 VAL HA . . A . 35 ASN H . . . 9 VAL HA . . . . . 35 ASN HN . . rr_1daq 1 133 1 . . 1 1 9 9 VAL HA H . . . 1 1 35 35 ASN HB2 H . . . . . . . 5.39 . . . . . A . 9 VAL HA . . A . 35 ASN HB2 . . . 9 VAL HA . . . . . 35 ASN HB2 . . rr_1daq 1 134 1 . . 1 1 35 35 ASN HB3 H . . . 1 1 9 9 VAL HA H . . . . . . . 5.39 . . . . . A . 35 ASN HB3 . . A . 9 VAL HA . . . 35 ASN HB3 . . . . . 9 VAL HA . . rr_1daq 1 135 1 OR . 1 1 9 9 VAL HA H . . . 1 1 35 35 ASN HB2 H . . . . . . . 5.00 . . . . . A . 9 VAL HA . . A . 35 ASN HB2 . . . 9 VAL HA . . . . . 35 ASN QB . . rr_1daq 1 135 2 OR . 1 1 35 35 ASN HB3 H . . . 1 1 9 9 VAL HA H . . . . . . . 5.00 . . . . . A . 35 ASN HB3 . . A . 9 VAL HA . . . 35 ASN QB . . . . . 9 VAL HA . . rr_1daq 1 136 1 . . 1 1 9 9 VAL HB H . . . 1 1 19 19 ASP H H . . . . . . . 5.06 . . . . . A . 9 VAL HB . . A . 19 ASP H . . . 9 VAL HB . . . . . 19 ASP- HN . . rr_1daq 1 137 1 . . 1 1 9 9 VAL HB H . . . 1 1 19 19 ASP HA H . . . . . . . 5.60 . . . . . A . 9 VAL HB . . A . 19 ASP HA . . . 9 VAL HB . . . . . 19 ASP- HA . . rr_1daq 1 138 1 OR . 1 1 9 9 VAL HB H . . . 1 1 19 19 ASP HB2 H . . . . . . . 6.88 . . . . . A . 9 VAL HB . . A . 19 ASP HB2 . . . 9 VAL HB . . . . . 19 ASP- QB . . rr_1daq 1 138 2 OR . 1 1 9 9 VAL HB H . . . 1 1 19 19 ASP HB3 H . . . . . . . 6.88 . . . . . A . 9 VAL HB . . A . 19 ASP HB3 . . . 9 VAL HB . . . . . 19 ASP- QB . . rr_1daq 1 139 1 . . 1 1 9 9 VAL HB H . . . 1 1 22 22 ALA MB H . . . . . . . 6.24 . . . . . A . 9 VAL HB . . A . 22 ALA MB . . . 9 VAL HB . . . . . 22 ALA QB . . rr_1daq 1 140 1 . . 1 1 9 9 VAL HB H . . . 1 1 26 26 TYR QD H . . . . . . . 8.14 . . . . . A . 9 VAL HB . . A . 26 TYR QD . . . 9 VAL HB . . . . . 26 TYR QD . . rr_1daq 1 141 1 . . 1 1 9 9 VAL HB H . . . 1 1 34 34 ILE HA H . . . . . . . 6.00 . . . . . A . 9 VAL HB . . A . 34 ILE HA . . . 9 VAL HB . . . . . 34 ILE HA . . rr_1daq 1 142 1 . . 1 1 9 9 VAL HB H . . . 1 1 34 34 ILE MG H . . . . . . . 6.60 . . . . . A . 9 VAL HB . . A . 34 ILE MG . . . 9 VAL HB . . . . . 34 ILE QG2 . . rr_1daq 1 143 1 . . 1 1 9 9 VAL HB H . . . 1 1 34 34 ILE MD H . . . . . . . 6.09 . . . . . A . 9 VAL HB . . A . 34 ILE MD . . . 9 VAL HB . . . . . 34 ILE QD1 . . rr_1daq 1 144 1 . . 1 1 9 9 VAL HB H . . . 1 1 35 35 ASN H H . . . . . . . 5.93 . . . . . A . 9 VAL HB . . A . 35 ASN H . . . 9 VAL HB . . . . . 35 ASN HN . . rr_1daq 1 145 1 . . 1 1 10 10 ASN H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 6.67 . . . . . A . 10 ASN H . . A . 9 VAL MG1 . . . 10 ASN HN . . . . . 9 VAL QG1 . . rr_1daq 1 146 1 . . 1 1 19 19 ASP HA H . . . 1 1 9 9 VAL MG1 H . . . . . . . 7.03 . . . . . A . 19 ASP HA . . A . 9 VAL MG1 . . . 19 ASP- HA . . . . . 9 VAL QG1 . . rr_1daq 1 147 1 . . 1 1 9 9 VAL MG1 H . . . 1 1 19 19 ASP HB2 H . . . . . . . 7.03 . . . . . A . 9 VAL MG1 . . A . 19 ASP HB2 . . . 9 VAL QG1 . . . . . 19 ASP- HB2 . . rr_1daq 1 148 1 . . 1 1 19 19 ASP HB3 H . . . 1 1 9 9 VAL MG1 H . . . . . . . 7.03 . . . . . A . 19 ASP HB3 . . A . 9 VAL MG1 . . . 19 ASP- HB3 . . . . . 9 VAL QG1 . . rr_1daq 1 149 1 . . 1 1 20 20 ALA H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 6.60 . . . . . A . 20 ALA H . . A . 9 VAL MG1 . . . 20 ALA HN . . . . . 9 VAL QG1 . . rr_1daq 1 150 1 . . 1 1 22 22 ALA MB H . . . 1 1 9 9 VAL MG1 H . . . . . . . 8.06 . . . . . A . 22 ALA MB . . A . 9 VAL MG1 . . . 22 ALA QB . . . . . 9 VAL QG1 . . rr_1daq 1 151 1 . . 1 1 23 23 LEU H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 6.34 . . . . . A . 23 LEU H . . A . 9 VAL MG1 . . . 23 LEU HN . . . . . 9 VAL QG1 . . rr_1daq 1 152 1 . . 1 1 34 34 ILE HA H . . . 1 1 9 9 VAL MG1 H . . . . . . . 7.03 . . . . . A . 34 ILE HA . . A . 9 VAL MG1 . . . 34 ILE HA . . . . . 9 VAL QG1 . . rr_1daq 1 153 1 . . 1 1 35 35 ASN H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 7.03 . . . . . A . 35 ASN H . . A . 9 VAL MG1 . . . 35 ASN HN . . . . . 9 VAL QG1 . . rr_1daq 1 154 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 10 10 ASN H H . . . . . . . 6.67 . . . . . A . 9 VAL MG2 . . A . 10 ASN H . . . 9 VAL QG2 . . . . . 10 ASN HN . . rr_1daq 1 155 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 19 19 ASP HA H . . . . . . . 7.03 . . . . . A . 9 VAL MG2 . . A . 19 ASP HA . . . 9 VAL QG2 . . . . . 19 ASP- HA . . rr_1daq 1 156 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 19 19 ASP HB2 H . . . . . . . 7.03 . . . . . A . 9 VAL MG2 . . A . 19 ASP HB2 . . . 9 VAL QG2 . . . . . 19 ASP- HB2 . . rr_1daq 1 157 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 19 19 ASP HB3 H . . . . . . . 7.03 . . . . . A . 9 VAL MG2 . . A . 19 ASP HB3 . . . 9 VAL QG2 . . . . . 19 ASP- HB3 . . rr_1daq 1 158 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 20 20 ALA H H . . . . . . . 6.60 . . . . . A . 9 VAL MG2 . . A . 20 ALA H . . . 9 VAL QG2 . . . . . 20 ALA HN . . rr_1daq 1 159 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 22 22 ALA MB H . . . . . . . 8.06 . . . . . A . 9 VAL MG2 . . A . 22 ALA MB . . . 9 VAL QG2 . . . . . 22 ALA QB . . rr_1daq 1 160 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 23 23 LEU H H . . . . . . . 6.34 . . . . . A . 9 VAL MG2 . . A . 23 LEU H . . . 9 VAL QG2 . . . . . 23 LEU HN . . rr_1daq 1 161 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 34 34 ILE HA H . . . . . . . 7.03 . . . . . A . 9 VAL MG2 . . A . 34 ILE HA . . . 9 VAL QG2 . . . . . 34 ILE HA . . rr_1daq 1 162 1 . . 1 1 9 9 VAL MG2 H . . . 1 1 35 35 ASN H H . . . . . . . 7.03 . . . . . A . 9 VAL MG2 . . A . 35 ASN H . . . 9 VAL QG2 . . . . . 35 ASN HN . . rr_1daq 1 163 1 OR . 1 1 10 10 ASN H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 6.02 . . . . . A . 10 ASN H . . A . 9 VAL MG1 . . . 10 ASN HN . . . . . 9 VAL QQG . . rr_1daq 1 163 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 10 10 ASN H H . . . . . . . 6.02 . . . . . A . 9 VAL MG2 . . A . 10 ASN H . . . 9 VAL QQG . . . . . 10 ASN HN . . rr_1daq 1 164 1 OR . 1 1 10 10 ASN HA H . . . 1 1 9 9 VAL MG1 H . . . . . . . 8.59 . . . . . A . 10 ASN HA . . A . 9 VAL MG1 . . . 10 ASN HA . . . . . 9 VAL QQG . . rr_1daq 1 164 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 10 10 ASN HA H . . . . . . . 8.59 . . . . . A . 9 VAL MG2 . . A . 10 ASN HA . . . 9 VAL QQG . . . . . 10 ASN HA . . rr_1daq 1 165 1 OR . 1 1 16 16 ASN H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 8.59 . . . . . A . 16 ASN H . . A . 9 VAL MG1 . . . 16 ASN HN . . . . . 9 VAL QQG . . rr_1daq 1 165 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 16 16 ASN H H . . . . . . . 8.59 . . . . . A . 9 VAL MG2 . . A . 16 ASN H . . . 9 VAL QQG . . . . . 16 ASN HN . . rr_1daq 1 166 1 OR . 1 1 19 19 ASP H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 8.59 . . . . . A . 19 ASP H . . A . 9 VAL MG1 . . . 19 ASP- HN . . . . . 9 VAL QQG . . rr_1daq 1 166 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 19 19 ASP H H . . . . . . . 8.59 . . . . . A . 9 VAL MG2 . . A . 19 ASP H . . . 9 VAL QQG . . . . . 19 ASP- HN . . rr_1daq 1 167 1 OR . 1 1 19 19 ASP HA H . . . 1 1 9 9 VAL MG1 H . . . . . . . 5.92 . . . . . A . 19 ASP HA . . A . 9 VAL MG1 . . . 19 ASP- HA . . . . . 9 VAL QQG . . rr_1daq 1 167 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 19 19 ASP HA H . . . . . . . 5.92 . . . . . A . 9 VAL MG2 . . A . 19 ASP HA . . . 9 VAL QQG . . . . . 19 ASP- HA . . rr_1daq 1 168 1 OR . 1 1 9 9 VAL MG2 H . . . 1 1 19 19 ASP HB2 H . . . . . . . 6.02 . . . . . A . 9 VAL MG2 . . A . 19 ASP HB2 . . . 9 VAL QQG . . . . . 19 ASP- QB . . rr_1daq 1 168 2 OR . 1 1 9 9 VAL MG1 H . . . 1 1 19 19 ASP HB2 H . . . . . . . 6.02 . . . . . A . 9 VAL MG1 . . A . 19 ASP HB2 . . . 9 VAL QQG . . . . . 19 ASP- QB . . rr_1daq 1 168 3 OR . 1 1 19 19 ASP HB3 H . . . 1 1 9 9 VAL MG1 H . . . . . . . 6.02 . . . . . A . 19 ASP HB3 . . A . 9 VAL MG1 . . . 19 ASP- QB . . . . . 9 VAL QQG . . rr_1daq 1 168 4 OR . 1 1 9 9 VAL MG2 H . . . 1 1 19 19 ASP HB3 H . . . . . . . 6.02 . . . . . A . 9 VAL MG2 . . A . 19 ASP HB3 . . . 9 VAL QQG . . . . . 19 ASP- QB . . rr_1daq 1 169 1 OR . 1 1 20 20 ALA MB H . . . 1 1 9 9 VAL MG1 H . . . . . . . 9.08 . . . . . A . 20 ALA MB . . A . 9 VAL MG1 . . . 20 ALA QB . . . . . 9 VAL QQG . . rr_1daq 1 169 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 20 20 ALA MB H . . . . . . . 9.08 . . . . . A . 9 VAL MG2 . . A . 20 ALA MB . . . 9 VAL QQG . . . . . 20 ALA QB . . rr_1daq 1 170 1 OR . 1 1 22 22 ALA MB H . . . 1 1 9 9 VAL MG1 H . . . . . . . 7.37 . . . . . A . 22 ALA MB . . A . 9 VAL MG1 . . . 22 ALA QB . . . . . 9 VAL QQG . . rr_1daq 1 170 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 22 22 ALA MB H . . . . . . . 7.37 . . . . . A . 9 VAL MG2 . . A . 22 ALA MB . . . 9 VAL QQG . . . . . 22 ALA QB . . rr_1daq 1 171 1 OR . 1 1 23 23 LEU H H . . . 1 1 9 9 VAL MG1 H . . . . . . . 5.60 . . . . . A . 23 LEU H . . A . 9 VAL MG1 . . . 23 LEU HN . . . . . 9 VAL QQG . . rr_1daq 1 171 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 23 23 LEU H H . . . . . . . 5.60 . . . . . A . 9 VAL MG2 . . A . 23 LEU H . . . 9 VAL QQG . . . . . 23 LEU HN . . rr_1daq 1 172 1 OR . 1 1 34 34 ILE MG H . . . 1 1 9 9 VAL MG1 H . . . . . . . 9.44 . . . . . A . 34 ILE MG . . A . 9 VAL MG1 . . . 34 ILE QG2 . . . . . 9 VAL QQG . . rr_1daq 1 172 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 34 34 ILE MG H . . . . . . . 9.44 . . . . . A . 9 VAL MG2 . . A . 34 ILE MG . . . 9 VAL QQG . . . . . 34 ILE QG2 . . rr_1daq 1 173 1 OR . 1 1 10 10 ASN H H . . . 1 1 10 10 ASN HB2 H . . . . . . . 3.81 . . . . . A . 10 ASN H . . A . 10 ASN HB2 . . . 10 ASN HN . . . . . 10 ASN QB . . rr_1daq 1 173 2 OR . 1 1 10 10 ASN H H . . . 1 1 10 10 ASN HB3 H . . . . . . . 3.81 . . . . . A . 10 ASN H . . A . 10 ASN HB3 . . . 10 ASN HN . . . . . 10 ASN QB . . rr_1daq 1 174 1 . . 1 1 11 11 ASP H H . . . 1 1 10 10 ASN H H . . . . . . . 3.34 . . . . . A . 11 ASP H . . A . 10 ASN H . . . 11 ASP- HN . . . . . 10 ASN HN . . rr_1daq 1 175 1 OR . 1 1 10 10 ASN HA H . . . 1 1 11 11 ASP HB2 H . . . . . . . 6.08 . . . . . A . 10 ASN HA . . A . 11 ASP HB2 . . . 10 ASN HA . . . . . 11 ASP- QB . . rr_1daq 1 175 2 OR . 1 1 10 10 ASN HA H . . . 1 1 11 11 ASP HB3 H . . . . . . . 6.08 . . . . . A . 10 ASN HA . . A . 11 ASP HB3 . . . 10 ASN HA . . . . . 11 ASP- QB . . rr_1daq 1 176 1 . . 1 1 10 10 ASN HA H . . . 1 1 22 22 ALA MB H . . . . . . . 7.03 . . . . . A . 10 ASN HA . . A . 22 ALA MB . . . 10 ASN HA . . . . . 22 ALA QB . . rr_1daq 1 177 1 . . 1 1 10 10 ASN HA H . . . 1 1 34 34 ILE HA H . . . . . . . 4.31 . . . . . A . 10 ASN HA . . A . 34 ILE HA . . . 10 ASN HA . . . . . 34 ILE HA . . rr_1daq 1 178 1 . . 1 1 10 10 ASN HA H . . . 1 1 34 34 ILE MG H . . . . . . . 7.03 . . . . . A . 10 ASN HA . . A . 34 ILE MG . . . 10 ASN HA . . . . . 34 ILE QG2 . . rr_1daq 1 179 1 . . 1 1 10 10 ASN HA H . . . 1 1 35 35 ASN H H . . . . . . . 5.06 . . . . . A . 10 ASN HA . . A . 35 ASN H . . . 10 ASN HA . . . . . 35 ASN HN . . rr_1daq 1 180 1 OR . 1 1 22 22 ALA MB H . . . 1 1 10 10 ASN HB2 H . . . . . . . 7.90 . . . . . A . 22 ALA MB . . A . 10 ASN HB2 . . . 22 ALA QB . . . . . 10 ASN QB . . rr_1daq 1 180 2 OR . 1 1 22 22 ALA MB H . . . 1 1 10 10 ASN HB3 H . . . . . . . 7.90 . . . . . A . 22 ALA MB . . A . 10 ASN HB3 . . . 22 ALA QB . . . . . 10 ASN QB . . rr_1daq 1 181 1 OR . 1 1 35 35 ASN H H . . . 1 1 10 10 ASN HB2 H . . . . . . . 6.88 . . . . . A . 35 ASN H . . A . 10 ASN HB2 . . . 35 ASN HN . . . . . 10 ASN QB . . rr_1daq 1 181 2 OR . 1 1 35 35 ASN H H . . . 1 1 10 10 ASN HB3 H . . . . . . . 6.88 . . . . . A . 35 ASN H . . A . 10 ASN HB3 . . . 35 ASN HN . . . . . 10 ASN QB . . rr_1daq 1 182 1 . . 2 2 1 1 CA CA Ca . . . 1 1 10 10 ASN OD1 O . . . . . . . 2.80 . . . . . A . 72 CA CA . . A . 10 ASN OD1 . . . 84 CA CA . . . . . 10 ASN OD1 . . rr_1daq 1 183 1 . . 1 1 10 10 ASN HD21 H . . . 1 1 18 18 THR MG H . . . . . . . 6.60 . . . . . A . 10 ASN HD21 . . A . 18 THR MG . . . 10 ASN HD21 . . . . . 18 THR QG2 . . rr_1daq 1 184 1 . . 1 1 18 18 THR MG H . . . 1 1 10 10 ASN HD22 H . . . . . . . 6.60 . . . . . A . 18 THR MG . . A . 10 ASN HD22 . . . 18 THR QG2 . . . . . 10 ASN HD22 . . rr_1daq 1 185 1 OR . 1 1 10 10 ASN HD21 H . . . 1 1 12 12 ASP HB2 H . . . . . . . 7.74 . . . . . A . 10 ASN HD21 . . A . 12 ASP HB2 . . . 10 ASN QD2 . . . . . 12 ASP- QB . . rr_1daq 1 185 2 OR . 1 1 10 10 ASN HD21 H . . . 1 1 12 12 ASP HB3 H . . . . . . . 7.74 . . . . . A . 10 ASN HD21 . . A . 12 ASP HB3 . . . 10 ASN QD2 . . . . . 12 ASP- QB . . rr_1daq 1 185 3 OR . 1 1 10 10 ASN HD22 H . . . 1 1 12 12 ASP HB3 H . . . . . . . 7.74 . . . . . A . 10 ASN HD22 . . A . 12 ASP HB3 . . . 10 ASN QD2 . . . . . 12 ASP- QB . . rr_1daq 1 185 4 OR . 1 1 10 10 ASN HD22 H . . . 1 1 12 12 ASP HB2 H . . . . . . . 7.74 . . . . . A . 10 ASN HD22 . . A . 12 ASP HB2 . . . 10 ASN QD2 . . . . . 12 ASP- QB . . rr_1daq 1 186 1 OR . 1 1 10 10 ASN HD21 H . . . 1 1 18 18 THR HA H . . . . . . . 6.87 . . . . . A . 10 ASN HD21 . . A . 18 THR HA . . . 10 ASN QD2 . . . . . 18 THR HA . . rr_1daq 1 186 2 OR . 1 1 10 10 ASN HD22 H . . . 1 1 18 18 THR HA H . . . . . . . 6.87 . . . . . A . 10 ASN HD22 . . A . 18 THR HA . . . 10 ASN QD2 . . . . . 18 THR HA . . rr_1daq 1 187 1 OR . 1 1 10 10 ASN HD21 H . . . 1 1 18 18 THR MG H . . . . . . . 5.95 . . . . . A . 10 ASN HD21 . . A . 18 THR MG . . . 10 ASN QD2 . . . . . 18 THR QG2 . . rr_1daq 1 187 2 OR . 1 1 18 18 THR MG H . . . 1 1 10 10 ASN HD22 H . . . . . . . 5.95 . . . . . A . 18 THR MG . . A . 10 ASN HD22 . . . 18 THR QG2 . . . . . 10 ASN QD2 . . rr_1daq 1 188 1 . . 1 1 11 11 ASP H H . . . 1 1 11 11 ASP HA H . . . . . . . 2.87 . . . . . A . 11 ASP H . . A . 11 ASP HA . . . 11 ASP- HN . . . . . 11 ASP- HA . . rr_1daq 1 189 1 . . 1 1 11 11 ASP H H . . . 1 1 12 12 ASP H H . . . . . . . 3.48 . . . . . A . 11 ASP H . . A . 12 ASP H . . . 11 ASP- HN . . . . . 12 ASP- HN . . rr_1daq 1 190 1 OR . 1 1 11 11 ASP H H . . . 1 1 35 35 ASN HB2 H . . . . . . . 6.88 . . . . . A . 11 ASP H . . A . 35 ASN HB2 . . . 11 ASP- HN . . . . . 35 ASN QB . . rr_1daq 1 190 2 OR . 1 1 35 35 ASN HB3 H . . . 1 1 11 11 ASP H H . . . . . . . 6.88 . . . . . A . 35 ASN HB3 . . A . 11 ASP H . . . 35 ASN QB . . . . . 11 ASP- HN . . rr_1daq 1 191 1 . . 1 1 11 11 ASP HA H . . . 1 1 12 12 ASP H H . . . . . . . 3.30 . . . . . A . 11 ASP HA . . A . 12 ASP H . . . 11 ASP- HA . . . . . 12 ASP- HN . . rr_1daq 1 192 1 . . 1 1 13 13 GLY H H . . . 1 1 11 11 ASP HA H . . . . . . . 4.27 . . . . . A . 13 GLY H . . A . 11 ASP HA . . . 13 GLY HN . . . . . 11 ASP- HA . . rr_1daq 1 193 1 . . 1 1 12 12 ASP H H . . . 1 1 12 12 ASP HB2 H . . . . . . . 4.16 . . . . . A . 12 ASP H . . A . 12 ASP HB2 . . . 12 ASP- HN . . . . . 12 ASP- HB2 . . rr_1daq 1 194 1 . . 1 1 12 12 ASP HB3 H . . . 1 1 12 12 ASP H H . . . . . . . 4.16 . . . . . A . 12 ASP HB3 . . A . 12 ASP H . . . 12 ASP- HB3 . . . . . 12 ASP- HN . . rr_1daq 1 195 1 OR . 1 1 12 12 ASP H H . . . 1 1 12 12 ASP HB2 H . . . . . . . 3.86 . . . . . A . 12 ASP H . . A . 12 ASP HB2 . . . 12 ASP- HN . . . . . 12 ASP- QB . . rr_1daq 1 195 2 OR . 1 1 12 12 ASP HB3 H . . . 1 1 12 12 ASP H H . . . . . . . 3.86 . . . . . A . 12 ASP HB3 . . A . 12 ASP H . . . 12 ASP- QB . . . . . 12 ASP- HN . . rr_1daq 1 196 1 . . 1 1 13 13 GLY H H . . . 1 1 12 12 ASP H H . . . . . . . 2.98 . . . . . A . 13 GLY H . . A . 12 ASP H . . . 13 GLY HN . . . . . 12 ASP- HN . . rr_1daq 1 197 1 OR . 1 1 12 12 ASP H H . . . 1 1 13 13 GLY HA2 H . . . . . . . 5.29 . . . . . A . 12 ASP H . . A . 13 GLY HA2 . . . 12 ASP- HN . . . . . 13 GLY QA . . rr_1daq 1 197 2 OR . 1 1 13 13 GLY HA3 H . . . 1 1 12 12 ASP H H . . . . . . . 5.29 . . . . . A . 13 GLY HA3 . . A . 12 ASP H . . . 13 GLY QA . . . . . 12 ASP- HN . . rr_1daq 1 198 1 . . 1 1 14 14 LYS H H . . . 1 1 12 12 ASP H H . . . . . . . 3.88 . . . . . A . 14 LYS H . . A . 12 ASP H . . . 14 LYS+ HN . . . . . 12 ASP- HN . . rr_1daq 1 199 1 . . 2 2 1 1 CA CA Ca . . . 1 1 12 12 ASP CG C . . . . . . . 4.00 . . . . . A . 72 CA CA . . A . 12 ASP CG . . . 84 CA CA . . . . . 12 ASP- CG . . rr_1daq 1 200 1 . . 1 1 13 13 GLY H H . . . 1 1 14 14 LYS H H . . . . . . . 3.16 . . . . . A . 13 GLY H . . A . 14 LYS H . . . 13 GLY HN . . . . . 14 LYS+ HN . . rr_1daq 1 201 1 OR . 1 1 13 13 GLY HA3 H . . . 1 1 59 59 ILE HG13 H . . . . . . . 7.75 . . . . . A . 13 GLY HA3 . . A . 59 ILE HG13 . . . 13 GLY QA . . . . . 59 ILE QG1 . . rr_1daq 1 201 2 OR . 1 1 13 13 GLY HA2 H . . . 1 1 59 59 ILE HG13 H . . . . . . . 7.75 . . . . . A . 13 GLY HA2 . . A . 59 ILE HG13 . . . 13 GLY QA . . . . . 59 ILE QG1 . . rr_1daq 1 201 3 OR . 1 1 59 59 ILE HG12 H . . . 1 1 13 13 GLY HA2 H . . . . . . . 7.75 . . . . . A . 59 ILE HG12 . . A . 13 GLY HA2 . . . 59 ILE QG1 . . . . . 13 GLY QA . . rr_1daq 1 201 4 OR . 1 1 13 13 GLY HA3 H . . . 1 1 59 59 ILE HG12 H . . . . . . . 7.75 . . . . . A . 13 GLY HA3 . . A . 59 ILE HG12 . . . 13 GLY QA . . . . . 59 ILE QG1 . . rr_1daq 1 202 1 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HG2 H . . . . . . . 6.12 . . . . . A . 14 LYS H . . A . 14 LYS HG2 . . . 14 LYS+ HN . . . . . 14 LYS+ QG . . rr_1daq 1 202 2 OR . 1 1 14 14 LYS HG3 H . . . 1 1 14 14 LYS H H . . . . . . . 6.12 . . . . . A . 14 LYS HG3 . . A . 14 LYS H . . . 14 LYS+ QG . . . . . 14 LYS+ HN . . rr_1daq 1 203 1 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HE2 H . . . . . . . 6.88 . . . . . A . 14 LYS H . . A . 14 LYS HE2 . . . 14 LYS+ HN . . . . . 14 LYS+ QE . . rr_1daq 1 203 2 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HE3 H . . . . . . . 6.88 . . . . . A . 14 LYS H . . A . 14 LYS HE3 . . . 14 LYS+ HN . . . . . 14 LYS+ QE . . rr_1daq 1 204 1 OR . 1 1 14 14 LYS H H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.87 . . . . . A . 14 LYS H . . A . 15 VAL MG1 . . . 14 LYS+ HN . . . . . 15 VAL QQG . . rr_1daq 1 204 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 14 14 LYS H H . . . . . . . 7.87 . . . . . A . 15 VAL MG2 . . A . 14 LYS H . . . 15 VAL QQG . . . . . 14 LYS+ HN . . rr_1daq 1 205 1 . . 1 1 14 14 LYS H H . . . 1 1 59 59 ILE HB H . . . . . . . 6.00 . . . . . A . 14 LYS H . . A . 59 ILE HB . . . 14 LYS+ HN . . . . . 59 ILE HB . . rr_1daq 1 206 1 OR . 1 1 14 14 LYS HA H . . . 1 1 15 15 VAL MG1 H . . . . . . . 8.59 . . . . . A . 14 LYS HA . . A . 15 VAL MG1 . . . 14 LYS+ HA . . . . . 15 VAL QQG . . rr_1daq 1 206 2 OR . 1 1 14 14 LYS HA H . . . 1 1 15 15 VAL MG2 H . . . . . . . 8.59 . . . . . A . 14 LYS HA . . A . 15 VAL MG2 . . . 14 LYS+ HA . . . . . 15 VAL QQG . . rr_1daq 1 207 1 . . 1 1 14 14 LYS HA H . . . 1 1 16 16 ASN H H . . . . . . . 5.57 . . . . . A . 14 LYS HA . . A . 16 ASN H . . . 14 LYS+ HA . . . . . 16 ASN HN . . rr_1daq 1 208 1 OR . 1 1 14 14 LYS HA H . . . 1 1 16 16 ASN HD21 H . . . . . . . 6.87 . . . . . A . 14 LYS HA . . A . 16 ASN HD21 . . . 14 LYS+ HA . . . . . 16 ASN QD2 . . rr_1daq 1 208 2 OR . 1 1 14 14 LYS HA H . . . 1 1 16 16 ASN HD22 H . . . . . . . 6.87 . . . . . A . 14 LYS HA . . A . 16 ASN HD22 . . . 14 LYS+ HA . . . . . 16 ASN QD2 . . rr_1daq 1 209 1 OR . 1 1 16 16 ASN H H . . . 1 1 14 14 LYS HB2 H . . . . . . . 6.84 . . . . . A . 16 ASN H . . A . 14 LYS HB2 . . . 16 ASN HN . . . . . 14 LYS+ QB . . rr_1daq 1 209 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 16 16 ASN H H . . . . . . . 6.84 . . . . . A . 14 LYS HB3 . . A . 16 ASN H . . . 14 LYS+ QB . . . . . 16 ASN HN . . rr_1daq 1 210 1 OR . 1 1 18 18 THR HB H . . . 1 1 14 14 LYS HB2 H . . . . . . . 5.94 . . . . . A . 18 THR HB . . A . 14 LYS HB2 . . . 18 THR HB . . . . . 14 LYS+ QB . . rr_1daq 1 210 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 18 18 THR HB H . . . . . . . 5.94 . . . . . A . 14 LYS HB3 . . A . 18 THR HB . . . 14 LYS+ QB . . . . . 18 THR HB . . rr_1daq 1 211 1 OR . 1 1 16 16 ASN H H . . . 1 1 14 14 LYS HG2 H . . . . . . . 6.88 . . . . . A . 16 ASN H . . A . 14 LYS HG2 . . . 16 ASN HN . . . . . 14 LYS+ QG . . rr_1daq 1 211 2 OR . 1 1 14 14 LYS HG3 H . . . 1 1 16 16 ASN H H . . . . . . . 6.88 . . . . . A . 14 LYS HG3 . . A . 16 ASN H . . . 14 LYS+ QG . . . . . 16 ASN HN . . rr_1daq 1 212 1 OR . 1 1 63 63 ILE MG H . . . 1 1 14 14 LYS HD2 H . . . . . . . 7.90 . . . . . A . 63 ILE MG . . A . 14 LYS HD2 . . . 63 ILE QG2 . . . . . 14 LYS+ QD . . rr_1daq 1 212 2 OR . 1 1 63 63 ILE MG H . . . 1 1 14 14 LYS HD3 H . . . . . . . 7.90 . . . . . A . 63 ILE MG . . A . 14 LYS HD3 . . . 63 ILE QG2 . . . . . 14 LYS+ QD . . rr_1daq 1 213 1 . . 2 2 1 1 CA CA Ca . . . 1 1 14 14 LYS O O . . . . . . . 2.80 . . . . . A . 72 CA CA . . A . 14 LYS O . . . 84 CA CA . . . . . 14 LYS+ O . . rr_1daq 1 214 1 . . 1 1 15 15 VAL HB H . . . 1 1 15 15 VAL H H . . . . . . . 3.91 . . . . . A . 15 VAL HB . . A . 15 VAL H . . . 15 VAL HB . . . . . 15 VAL HN . . rr_1daq 1 215 1 . . 1 1 16 16 ASN H H . . . 1 1 15 15 VAL HA H . . . . . . . 2.69 . . . . . A . 16 ASN H . . A . 15 VAL HA . . . 16 ASN HN . . . . . 15 VAL HA . . rr_1daq 1 216 1 . . 1 1 19 19 ASP H H . . . 1 1 15 15 VAL HA H . . . . . . . 4.67 . . . . . A . 19 ASP H . . A . 15 VAL HA . . . 19 ASP- HN . . . . . 15 VAL HA . . rr_1daq 1 217 1 . . 1 1 15 15 VAL HB H . . . 1 1 16 16 ASN H H . . . . . . . 4.70 . . . . . A . 15 VAL HB . . A . 16 ASN H . . . 15 VAL HB . . . . . 16 ASN HN . . rr_1daq 1 218 1 . . 1 1 15 15 VAL HB H . . . 1 1 26 26 TYR QE H . . . . . . . 7.77 . . . . . A . 15 VAL HB . . A . 26 TYR QE . . . 15 VAL HB . . . . . 26 TYR QE . . rr_1daq 1 219 1 OR . 1 1 15 15 VAL HB H . . . 1 1 35 35 ASN HD21 H . . . . . . . 5.97 . . . . . A . 15 VAL HB . . A . 35 ASN HD21 . . . 15 VAL HB . . . . . 35 ASN QD2 . . rr_1daq 1 219 2 OR . 1 1 15 15 VAL HB H . . . 1 1 35 35 ASN HD22 H . . . . . . . 5.97 . . . . . A . 15 VAL HB . . A . 35 ASN HD22 . . . 15 VAL HB . . . . . 35 ASN QD2 . . rr_1daq 1 220 1 . . 1 1 15 15 VAL HB H . . . 1 1 46 46 ARG HA H . . . . . . . 4.70 . . . . . A . 15 VAL HB . . A . 46 ARG HA . . . 15 VAL HB . . . . . 46 ARG+ HA . . rr_1daq 1 221 1 . . 1 1 15 15 VAL HB H . . . 1 1 58 58 TYR QE H . . . . . . . 8.13 . . . . . A . 15 VAL HB . . A . 58 TYR QE . . . 15 VAL HB . . . . . 58 TYR QE . . rr_1daq 1 222 1 . . 1 1 16 16 ASN H H . . . 1 1 15 15 VAL MG1 H . . . . . . . 5.88 . . . . . A . 16 ASN H . . A . 15 VAL MG1 . . . 16 ASN HN . . . . . 15 VAL QG1 . . rr_1daq 1 223 1 . . 1 1 15 15 VAL MG1 H . . . 1 1 19 19 ASP HB2 H . . . . . . . 8.74 . . . . . A . 15 VAL MG1 . . A . 19 ASP HB2 . . . 15 VAL QG1 . . . . . 19 ASP- HB2 . . rr_1daq 1 224 1 . . 1 1 19 19 ASP HB3 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 8.74 . . . . . A . 19 ASP HB3 . . A . 15 VAL MG1 . . . 19 ASP- HB3 . . . . . 15 VAL QG1 . . rr_1daq 1 225 1 . . 1 1 46 46 ARG HA H . . . 1 1 15 15 VAL MG1 H . . . . . . . 5.08 . . . . . A . 46 ARG HA . . A . 15 VAL MG1 . . . 46 ARG+ HA . . . . . 15 VAL QG1 . . rr_1daq 1 226 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 16 16 ASN H H . . . . . . . 5.88 . . . . . A . 15 VAL MG2 . . A . 16 ASN H . . . 15 VAL QG2 . . . . . 16 ASN HN . . rr_1daq 1 227 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 19 19 ASP HB2 H . . . . . . . 8.74 . . . . . A . 15 VAL MG2 . . A . 19 ASP HB2 . . . 15 VAL QG2 . . . . . 19 ASP- HB2 . . rr_1daq 1 228 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 19 19 ASP HB3 H . . . . . . . 8.74 . . . . . A . 15 VAL MG2 . . A . 19 ASP HB3 . . . 15 VAL QG2 . . . . . 19 ASP- HB3 . . rr_1daq 1 229 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 46 46 ARG HA H . . . . . . . 5.08 . . . . . A . 15 VAL MG2 . . A . 46 ARG HA . . . 15 VAL QG2 . . . . . 46 ARG+ HA . . rr_1daq 1 230 1 OR . 1 1 16 16 ASN H H . . . 1 1 15 15 VAL MG1 H . . . . . . . 5.27 . . . . . A . 16 ASN H . . A . 15 VAL MG1 . . . 16 ASN HN . . . . . 15 VAL QQG . . rr_1daq 1 230 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 16 16 ASN H H . . . . . . . 5.27 . . . . . A . 15 VAL MG2 . . A . 16 ASN H . . . 15 VAL QQG . . . . . 16 ASN HN . . rr_1daq 1 231 1 OR . 1 1 16 16 ASN HA H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.18 . . . . . A . 16 ASN HA . . A . 15 VAL MG1 . . . 16 ASN HA . . . . . 15 VAL QQG . . rr_1daq 1 231 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 16 16 ASN HA H . . . . . . . 7.18 . . . . . A . 15 VAL MG2 . . A . 16 ASN HA . . . 15 VAL QQG . . . . . 16 ASN HA . . rr_1daq 1 232 1 OR . 1 1 18 18 THR H H . . . 1 1 15 15 VAL MG1 H . . . . . . . 8.59 . . . . . A . 18 THR H . . A . 15 VAL MG1 . . . 18 THR HN . . . . . 15 VAL QQG . . rr_1daq 1 232 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 18 18 THR H H . . . . . . . 8.59 . . . . . A . 15 VAL MG2 . . A . 18 THR H . . . 15 VAL QQG . . . . . 18 THR HN . . rr_1daq 1 233 1 OR . 1 1 19 19 ASP H H . . . 1 1 15 15 VAL MG1 H . . . . . . . 8.19 . . . . . A . 19 ASP H . . A . 15 VAL MG1 . . . 19 ASP- HN . . . . . 15 VAL QQG . . rr_1daq 1 233 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 19 19 ASP H H . . . . . . . 8.19 . . . . . A . 15 VAL MG2 . . A . 19 ASP H . . . 15 VAL QQG . . . . . 19 ASP- HN . . rr_1daq 1 234 1 OR . 1 1 15 15 VAL MG1 H . . . 1 1 19 19 ASP HB2 H . . . . . . . 6.99 . . . . . A . 15 VAL MG1 . . A . 19 ASP HB2 . . . 15 VAL QQG . . . . . 19 ASP- QB . . rr_1daq 1 234 2 OR . 1 1 19 19 ASP HB3 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 6.99 . . . . . A . 19 ASP HB3 . . A . 15 VAL MG1 . . . 19 ASP- QB . . . . . 15 VAL QQG . . rr_1daq 1 234 3 OR . 1 1 15 15 VAL MG2 H . . . 1 1 19 19 ASP HB3 H . . . . . . . 6.99 . . . . . A . 15 VAL MG2 . . A . 19 ASP HB3 . . . 15 VAL QQG . . . . . 19 ASP- QB . . rr_1daq 1 234 4 OR . 1 1 15 15 VAL MG2 H . . . 1 1 19 19 ASP HB2 H . . . . . . . 6.99 . . . . . A . 15 VAL MG2 . . A . 19 ASP HB2 . . . 15 VAL QQG . . . . . 19 ASP- QB . . rr_1daq 1 235 1 OR . 1 1 15 15 VAL MG1 H . . . 1 1 35 35 ASN HD21 H . . . . . . . 7.80 . . . . . A . 15 VAL MG1 . . A . 35 ASN HD21 . . . 15 VAL QQG . . . . . 35 ASN QD2 . . rr_1daq 1 235 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 35 35 ASN HD21 H . . . . . . . 7.80 . . . . . A . 15 VAL MG2 . . A . 35 ASN HD21 . . . 15 VAL QQG . . . . . 35 ASN QD2 . . rr_1daq 1 235 3 OR . 1 1 35 35 ASN HD22 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.80 . . . . . A . 35 ASN HD22 . . A . 15 VAL MG1 . . . 35 ASN QD2 . . . . . 15 VAL QQG . . rr_1daq 1 235 4 OR . 1 1 15 15 VAL MG2 H . . . 1 1 35 35 ASN HD22 H . . . . . . . 7.80 . . . . . A . 15 VAL MG2 . . A . 35 ASN HD22 . . . 15 VAL QQG . . . . . 35 ASN QD2 . . rr_1daq 1 236 1 OR . 1 1 39 39 ALA H H . . . 1 1 15 15 VAL MG1 H . . . . . . . 7.36 . . . . . A . 39 ALA H . . A . 15 VAL MG1 . . . 39 ALA HN . . . . . 15 VAL QQG . . rr_1daq 1 236 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 39 39 ALA H H . . . . . . . 7.36 . . . . . A . 15 VAL MG2 . . A . 39 ALA H . . . 15 VAL QQG . . . . . 39 ALA HN . . rr_1daq 1 237 1 OR . 1 1 46 46 ARG HA H . . . 1 1 15 15 VAL MG1 H . . . . . . . 4.67 . . . . . A . 46 ARG HA . . A . 15 VAL MG1 . . . 46 ARG+ HA . . . . . 15 VAL QQG . . rr_1daq 1 237 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 46 46 ARG HA H . . . . . . . 4.67 . . . . . A . 15 VAL MG2 . . A . 46 ARG HA . . . 15 VAL QQG . . . . . 46 ARG+ HA . . rr_1daq 1 238 1 OR . 1 1 15 15 VAL MG2 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 11.19 . . . . . A . 15 VAL MG2 . . A . 66 LEU MD2 . . . 15 VAL QQG . . . . . 66 LEU QQD . . rr_1daq 1 238 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 15 15 VAL MG1 H . . . . . . . 11.19 . . . . . A . 66 LEU MD1 . . A . 15 VAL MG1 . . . 66 LEU QQD . . . . . 15 VAL QQG . . rr_1daq 1 238 3 OR . 1 1 15 15 VAL MG2 H . . . 1 1 66 66 LEU MD1 H . . . . . . . 11.19 . . . . . A . 15 VAL MG2 . . A . 66 LEU MD1 . . . 15 VAL QQG . . . . . 66 LEU QQD . . rr_1daq 1 238 4 OR . 1 1 15 15 VAL MG1 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 11.19 . . . . . A . 15 VAL MG1 . . A . 66 LEU MD2 . . . 15 VAL QQG . . . . . 66 LEU QQD . . rr_1daq 1 239 1 . . 1 1 19 19 ASP H H . . . 1 1 16 16 ASN H H . . . . . . . 3.70 . . . . . A . 19 ASP H . . A . 16 ASN H . . . 19 ASP- HN . . . . . 16 ASN HN . . rr_1daq 1 240 1 . . 1 1 16 16 ASN H H . . . 1 1 19 19 ASP HB2 H . . . . . . . 4.16 . . . . . A . 16 ASN H . . A . 19 ASP HB2 . . . 16 ASN HN . . . . . 19 ASP- HB2 . . rr_1daq 1 241 1 . . 1 1 19 19 ASP HB3 H . . . 1 1 16 16 ASN H H . . . . . . . 4.16 . . . . . A . 19 ASP HB3 . . A . 16 ASN H . . . 19 ASP- HB3 . . . . . 16 ASN HN . . rr_1daq 1 242 1 OR . 1 1 16 16 ASN H H . . . 1 1 19 19 ASP HB2 H . . . . . . . 3.70 . . . . . A . 16 ASN H . . A . 19 ASP HB2 . . . 16 ASN HN . . . . . 19 ASP- QB . . rr_1daq 1 242 2 OR . 1 1 19 19 ASP HB3 H . . . 1 1 16 16 ASN H H . . . . . . . 3.70 . . . . . A . 19 ASP HB3 . . A . 16 ASN H . . . 19 ASP- QB . . . . . 16 ASN HN . . rr_1daq 1 243 1 OR . 1 1 16 16 ASN H H . . . 1 1 47 47 VAL MG1 H . . . . . . . 8.12 . . . . . A . 16 ASN H . . A . 47 VAL MG1 . . . 16 ASN HN . . . . . 47 VAL QQG . . rr_1daq 1 243 2 OR . 1 1 16 16 ASN H H . . . 1 1 47 47 VAL MG2 H . . . . . . . 8.12 . . . . . A . 16 ASN H . . A . 47 VAL MG2 . . . 16 ASN HN . . . . . 47 VAL QQG . . rr_1daq 1 244 1 OR . 1 1 16 16 ASN HA H . . . 1 1 46 46 ARG HB3 H . . . . . . . 6.88 . . . . . A . 16 ASN HA . . A . 46 ARG HB3 . . . 16 ASN HA . . . . . 46 ARG+ QB . . rr_1daq 1 244 2 OR . 1 1 16 16 ASN HA H . . . 1 1 46 46 ARG HB2 H . . . . . . . 6.88 . . . . . A . 16 ASN HA . . A . 46 ARG HB2 . . . 16 ASN HA . . . . . 46 ARG+ QB . . rr_1daq 1 245 1 . . 1 1 16 16 ASN HA H . . . 1 1 47 47 VAL HB H . . . . . . . 5.06 . . . . . A . 16 ASN HA . . A . 47 VAL HB . . . 16 ASN HA . . . . . 47 VAL HB . . rr_1daq 1 246 1 OR . 1 1 16 16 ASN HA H . . . 1 1 47 47 VAL MG1 H . . . . . . . 6.07 . . . . . A . 16 ASN HA . . A . 47 VAL MG1 . . . 16 ASN HA . . . . . 47 VAL QQG . . rr_1daq 1 246 2 OR . 1 1 16 16 ASN HA H . . . 1 1 47 47 VAL MG2 H . . . . . . . 6.07 . . . . . A . 16 ASN HA . . A . 47 VAL MG2 . . . 16 ASN HA . . . . . 47 VAL QQG . . rr_1daq 1 247 1 . . 1 1 16 16 ASN HA H . . . 1 1 52 52 LEU HG H . . . . . . . 5.60 . . . . . A . 16 ASN HA . . A . 52 LEU HG . . . 16 ASN HA . . . . . 52 LEU HG . . rr_1daq 1 248 1 OR . 1 1 16 16 ASN HA H . . . 1 1 59 59 ILE HG13 H . . . . . . . 6.88 . . . . . A . 16 ASN HA . . A . 59 ILE HG13 . . . 16 ASN HA . . . . . 59 ILE QG1 . . rr_1daq 1 248 2 OR . 1 1 59 59 ILE HG12 H . . . 1 1 16 16 ASN HA H . . . . . . . 6.88 . . . . . A . 59 ILE HG12 . . A . 16 ASN HA . . . 59 ILE QG1 . . . . . 16 ASN HA . . rr_1daq 1 249 1 OR . 1 1 57 57 ARG H H . . . 1 1 16 16 ASN HB2 H . . . . . . . 6.88 . . . . . A . 57 ARG H . . A . 16 ASN HB2 . . . 57 ARG+ HN . . . . . 16 ASN QB . . rr_1daq 1 249 2 OR . 1 1 16 16 ASN HB3 H . . . 1 1 57 57 ARG H H . . . . . . . 6.88 . . . . . A . 16 ASN HB3 . . A . 57 ARG H . . . 16 ASN QB . . . . . 57 ARG+ HN . . rr_1daq 1 250 1 OR . 1 1 18 18 THR HA H . . . 1 1 16 16 ASN HD21 H . . . . . . . 6.87 . . . . . A . 18 THR HA . . A . 16 ASN HD21 . . . 18 THR HA . . . . . 16 ASN QD2 . . rr_1daq 1 250 2 OR . 1 1 18 18 THR HA H . . . 1 1 16 16 ASN HD22 H . . . . . . . 6.87 . . . . . A . 18 THR HA . . A . 16 ASN HD22 . . . 18 THR HA . . . . . 16 ASN QD2 . . rr_1daq 1 251 1 . . 1 1 17 17 SER H H . . . 1 1 56 56 LYS HA H . . . . . . . 6.00 . . . . . A . 17 SER H . . A . 56 LYS HA . . . 17 SER HN . . . . . 56 LYS+ HA . . rr_1daq 1 252 1 OR . 1 1 56 56 LYS H H . . . 1 1 17 17 SER HB2 H . . . . . . . 6.88 . . . . . A . 56 LYS H . . A . 17 SER HB2 . . . 56 LYS+ HN . . . . . 17 SER QB . . rr_1daq 1 252 2 OR . 1 1 17 17 SER HB3 H . . . 1 1 56 56 LYS H H . . . . . . . 6.88 . . . . . A . 17 SER HB3 . . A . 56 LYS H . . . 17 SER QB . . . . . 56 LYS+ HN . . rr_1daq 1 253 1 . . 1 1 18 18 THR HB H . . . 1 1 18 18 THR H H . . . . . . . 3.34 . . . . . A . 18 THR HB . . A . 18 THR H . . . 18 THR HB . . . . . 18 THR HN . . rr_1daq 1 254 1 OR . 1 1 18 18 THR H H . . . 1 1 56 56 LYS HB2 H . . . . . . . 6.80 . . . . . A . 18 THR H . . A . 56 LYS HB2 . . . 18 THR HN . . . . . 56 LYS+ QB . . rr_1daq 1 254 2 OR . 1 1 18 18 THR H H . . . 1 1 56 56 LYS HB3 H . . . . . . . 6.80 . . . . . A . 18 THR H . . A . 56 LYS HB3 . . . 18 THR HN . . . . . 56 LYS+ QB . . rr_1daq 1 255 1 OR . 1 1 18 18 THR H H . . . 1 1 59 59 ILE HG13 H . . . . . . . 6.88 . . . . . A . 18 THR H . . A . 59 ILE HG13 . . . 18 THR HN . . . . . 59 ILE QG1 . . rr_1daq 1 255 2 OR . 1 1 59 59 ILE HG12 H . . . 1 1 18 18 THR H H . . . . . . . 6.88 . . . . . A . 59 ILE HG12 . . A . 18 THR H . . . 59 ILE QG1 . . . . . 18 THR HN . . rr_1daq 1 256 1 . . 1 1 19 19 ASP H H . . . 1 1 18 18 THR HA H . . . . . . . 3.62 . . . . . A . 19 ASP H . . A . 18 THR HA . . . 19 ASP- HN . . . . . 18 THR HA . . rr_1daq 1 257 1 . . 1 1 20 20 ALA MB H . . . 1 1 18 18 THR HA H . . . . . . . 7.03 . . . . . A . 20 ALA MB . . A . 18 THR HA . . . 20 ALA QB . . . . . 18 THR HA . . rr_1daq 1 258 1 . . 1 1 19 19 ASP H H . . . 1 1 18 18 THR MG H . . . . . . . 5.34 . . . . . A . 19 ASP H . . A . 18 THR MG . . . 19 ASP- HN . . . . . 18 THR QG2 . . rr_1daq 1 259 1 . . 1 1 19 19 ASP H H . . . 1 1 19 19 ASP HB2 H . . . . . . . 3.73 . . . . . A . 19 ASP H . . A . 19 ASP HB2 . . . 19 ASP- HN . . . . . 19 ASP- HB2 . . rr_1daq 1 260 1 . . 1 1 19 19 ASP HB3 H . . . 1 1 19 19 ASP H H . . . . . . . 3.73 . . . . . A . 19 ASP HB3 . . A . 19 ASP H . . . 19 ASP- HB3 . . . . . 19 ASP- HN . . rr_1daq 1 261 1 OR . 1 1 19 19 ASP H H . . . 1 1 19 19 ASP HB2 H . . . . . . . 3.24 . . . . . A . 19 ASP H . . A . 19 ASP HB2 . . . 19 ASP- HN . . . . . 19 ASP- QB . . rr_1daq 1 261 2 OR . 1 1 19 19 ASP HB3 H . . . 1 1 19 19 ASP H H . . . . . . . 3.24 . . . . . A . 19 ASP HB3 . . A . 19 ASP H . . . 19 ASP- QB . . . . . 19 ASP- HN . . rr_1daq 1 262 1 . . 1 1 19 19 ASP H H . . . 1 1 20 20 ALA H H . . . . . . . 3.12 . . . . . A . 19 ASP H . . A . 20 ALA H . . . 19 ASP- HN . . . . . 20 ALA HN . . rr_1daq 1 263 1 . . 1 1 19 19 ASP HA H . . . 1 1 21 21 VAL H H . . . . . . . 4.70 . . . . . A . 19 ASP HA . . A . 21 VAL H . . . 19 ASP- HA . . . . . 21 VAL HN . . rr_1daq 1 264 1 . . 1 1 19 19 ASP HA H . . . 1 1 22 22 ALA H H . . . . . . . 4.31 . . . . . A . 19 ASP HA . . A . 22 ALA H . . . 19 ASP- HA . . . . . 22 ALA HN . . rr_1daq 1 265 1 . . 1 1 19 19 ASP HA H . . . 1 1 22 22 ALA MB H . . . . . . . 5.30 . . . . . A . 19 ASP HA . . A . 22 ALA MB . . . 19 ASP- HA . . . . . 22 ALA QB . . rr_1daq 1 266 1 . . 1 1 19 19 ASP HA H . . . 1 1 23 23 LEU H H . . . . . . . 4.81 . . . . . A . 19 ASP HA . . A . 23 LEU H . . . 19 ASP- HA . . . . . 23 LEU HN . . rr_1daq 1 267 1 OR . 1 1 19 19 ASP HA H . . . 1 1 23 23 LEU MD2 H . . . . . . . 8.60 . . . . . A . 19 ASP HA . . A . 23 LEU MD2 . . . 19 ASP- HA . . . . . 23 LEU QQD . . rr_1daq 1 267 2 OR . 1 1 19 19 ASP HA H . . . 1 1 23 23 LEU MD1 H . . . . . . . 8.60 . . . . . A . 19 ASP HA . . A . 23 LEU MD1 . . . 19 ASP- HA . . . . . 23 LEU QQD . . rr_1daq 1 268 1 . . 1 1 20 20 ALA H H . . . 1 1 19 19 ASP HB2 H . . . . . . . 4.67 . . . . . A . 20 ALA H . . A . 19 ASP HB2 . . . 20 ALA HN . . . . . 19 ASP- HB2 . . rr_1daq 1 269 1 . . 1 1 19 19 ASP HB3 H . . . 1 1 20 20 ALA H H . . . . . . . 4.67 . . . . . A . 19 ASP HB3 . . A . 20 ALA H . . . 19 ASP- HB3 . . . . . 20 ALA HN . . rr_1daq 1 270 1 OR . 1 1 20 20 ALA H H . . . 1 1 19 19 ASP HB2 H . . . . . . . 4.04 . . . . . A . 20 ALA H . . A . 19 ASP HB2 . . . 20 ALA HN . . . . . 19 ASP- QB . . rr_1daq 1 270 2 OR . 1 1 19 19 ASP HB3 H . . . 1 1 20 20 ALA H H . . . . . . . 4.04 . . . . . A . 19 ASP HB3 . . A . 20 ALA H . . . 19 ASP- QB . . . . . 20 ALA HN . . rr_1daq 1 271 1 OR . 1 1 20 20 ALA MB H . . . 1 1 19 19 ASP HB2 H . . . . . . . 6.86 . . . . . A . 20 ALA MB . . A . 19 ASP HB2 . . . 20 ALA QB . . . . . 19 ASP- QB . . rr_1daq 1 271 2 OR . 1 1 19 19 ASP HB3 H . . . 1 1 20 20 ALA MB H . . . . . . . 6.86 . . . . . A . 19 ASP HB3 . . A . 20 ALA MB . . . 19 ASP- QB . . . . . 20 ALA QB . . rr_1daq 1 272 1 OR . 1 1 22 22 ALA MB H . . . 1 1 19 19 ASP HB2 H . . . . . . . 7.90 . . . . . A . 22 ALA MB . . A . 19 ASP HB2 . . . 22 ALA QB . . . . . 19 ASP- QB . . rr_1daq 1 272 2 OR . 1 1 19 19 ASP HB3 H . . . 1 1 22 22 ALA MB H . . . . . . . 7.90 . . . . . A . 19 ASP HB3 . . A . 22 ALA MB . . . 19 ASP- QB . . . . . 22 ALA QB . . rr_1daq 1 273 1 OR . 1 1 23 23 LEU HG H . . . 1 1 19 19 ASP HB2 H . . . . . . . 6.88 . . . . . A . 23 LEU HG . . A . 19 ASP HB2 . . . 23 LEU HG . . . . . 19 ASP- QB . . rr_1daq 1 273 2 OR . 1 1 19 19 ASP HB3 H . . . 1 1 23 23 LEU HG H . . . . . . . 6.88 . . . . . A . 19 ASP HB3 . . A . 23 LEU HG . . . 19 ASP- QB . . . . . 23 LEU HG . . rr_1daq 1 274 1 . . 2 2 1 1 CA CA Ca . . . 1 1 19 19 ASP OD1 O . . . . . . . 2.80 . . . . . A . 72 CA CA . . A . 19 ASP OD1 . . . 84 CA CA . . . . . 19 ASP- OD1 . . rr_1daq 1 275 1 . . 2 2 1 1 CA CA Ca . . . 1 1 19 19 ASP OD2 O . . . . . . . 2.80 . . . . . A . 72 CA CA . . A . 19 ASP OD2 . . . 84 CA CA . . . . . 19 ASP- OD2 . . rr_1daq 1 276 1 . . 1 1 20 20 ALA H H . . . 1 1 21 21 VAL H H . . . . . . . 4.49 . . . . . A . 20 ALA H . . A . 21 VAL H . . . 20 ALA HN . . . . . 21 VAL HN . . rr_1daq 1 277 1 . . 1 1 20 20 ALA H H . . . 1 1 23 23 LEU HG H . . . . . . . 6.00 . . . . . A . 20 ALA H . . A . 23 LEU HG . . . 20 ALA HN . . . . . 23 LEU HG . . rr_1daq 1 278 1 OR . 1 1 20 20 ALA H H . . . 1 1 23 23 LEU MD2 H . . . . . . . 7.81 . . . . . A . 20 ALA H . . A . 23 LEU MD2 . . . 20 ALA HN . . . . . 23 LEU QQD . . rr_1daq 1 278 2 OR . 1 1 20 20 ALA H H . . . 1 1 23 23 LEU MD1 H . . . . . . . 7.81 . . . . . A . 20 ALA H . . A . 23 LEU MD1 . . . 20 ALA HN . . . . . 23 LEU QQD . . rr_1daq 1 279 1 OR . 1 1 20 20 ALA HA H . . . 1 1 23 23 LEU HB2 H . . . . . . . 4.75 . . . . . A . 20 ALA HA . . A . 23 LEU HB2 . . . 20 ALA HA . . . . . 23 LEU QB . . rr_1daq 1 279 2 OR . 1 1 20 20 ALA HA H . . . 1 1 23 23 LEU HB3 H . . . . . . . 4.75 . . . . . A . 20 ALA HA . . A . 23 LEU HB3 . . . 20 ALA HA . . . . . 23 LEU QB . . rr_1daq 1 280 1 . . 1 1 23 23 LEU HG H . . . 1 1 20 20 ALA HA H . . . . . . . 5.60 . . . . . A . 23 LEU HG . . A . 20 ALA HA . . . 23 LEU HG . . . . . 20 ALA HA . . rr_1daq 1 281 1 . . 1 1 20 20 ALA HA H . . . 1 1 24 24 LYS H H . . . . . . . 4.67 . . . . . A . 20 ALA HA . . A . 24 LYS H . . . 20 ALA HA . . . . . 24 LYS+ HN . . rr_1daq 1 282 1 . . 1 1 20 20 ALA MB H . . . 1 1 21 21 VAL HA H . . . . . . . 7.03 . . . . . A . 20 ALA MB . . A . 21 VAL HA . . . 20 ALA QB . . . . . 21 VAL HA . . rr_1daq 1 283 1 . . 1 1 21 21 VAL H H . . . 1 1 21 21 VAL HB H . . . . . . . 3.23 . . . . . A . 21 VAL H . . A . 21 VAL HB . . . 21 VAL HN . . . . . 21 VAL HB . . rr_1daq 1 284 1 . . 1 1 24 24 LYS H H . . . 1 1 21 21 VAL HA H . . . . . . . 4.02 . . . . . A . 24 LYS H . . A . 21 VAL HA . . . 24 LYS+ HN . . . . . 21 VAL HA . . rr_1daq 1 285 1 OR . 1 1 21 21 VAL HA H . . . 1 1 24 24 LYS HB3 H . . . . . . . 5.51 . . . . . A . 21 VAL HA . . A . 24 LYS HB3 . . . 21 VAL HA . . . . . 24 LYS+ QB . . rr_1daq 1 285 2 OR . 1 1 21 21 VAL HA H . . . 1 1 24 24 LYS HB2 H . . . . . . . 5.51 . . . . . A . 21 VAL HA . . A . 24 LYS HB2 . . . 21 VAL HA . . . . . 24 LYS+ QB . . rr_1daq 1 286 1 OR . 1 1 21 21 VAL HA H . . . 1 1 24 24 LYS HG2 H . . . . . . . 6.88 . . . . . A . 21 VAL HA . . A . 24 LYS HG2 . . . 21 VAL HA . . . . . 24 LYS+ QG . . rr_1daq 1 286 2 OR . 1 1 21 21 VAL HA H . . . 1 1 24 24 LYS HG3 H . . . . . . . 6.88 . . . . . A . 21 VAL HA . . A . 24 LYS HG3 . . . 21 VAL HA . . . . . 24 LYS+ QG . . rr_1daq 1 287 1 . . 1 1 21 21 VAL HA H . . . 1 1 25 25 ARG H H . . . . . . . 4.56 . . . . . A . 21 VAL HA . . A . 25 ARG H . . . 21 VAL HA . . . . . 25 ARG+ HN . . rr_1daq 1 288 1 OR . 1 1 21 21 VAL HA H . . . 1 1 25 25 ARG HG2 H . . . . . . . 6.88 . . . . . A . 21 VAL HA . . A . 25 ARG HG2 . . . 21 VAL HA . . . . . 25 ARG+ QG . . rr_1daq 1 288 2 OR . 1 1 21 21 VAL HA H . . . 1 1 25 25 ARG HG3 H . . . . . . . 6.88 . . . . . A . 21 VAL HA . . A . 25 ARG HG3 . . . 21 VAL HA . . . . . 25 ARG+ QG . . rr_1daq 1 289 1 OR . 1 1 21 21 VAL HA H . . . 1 1 25 25 ARG HD2 H . . . . . . . 5.15 . . . . . A . 21 VAL HA . . A . 25 ARG HD2 . . . 21 VAL HA . . . . . 25 ARG+ QD . . rr_1daq 1 289 2 OR . 1 1 21 21 VAL HA H . . . 1 1 25 25 ARG HD3 H . . . . . . . 5.15 . . . . . A . 21 VAL HA . . A . 25 ARG HD3 . . . 21 VAL HA . . . . . 25 ARG+ QD . . rr_1daq 1 290 1 . . 1 1 22 22 ALA H H . . . 1 1 21 21 VAL HB H . . . . . . . 3.26 . . . . . A . 22 ALA H . . A . 21 VAL HB . . . 22 ALA HN . . . . . 21 VAL HB . . rr_1daq 1 291 1 . . 1 1 22 22 ALA H H . . . 1 1 21 21 VAL MG1 H . . . . . . . 6.70 . . . . . A . 22 ALA H . . A . 21 VAL MG1 . . . 22 ALA HN . . . . . 21 VAL QG1 . . rr_1daq 1 292 1 . . 1 1 22 22 ALA H H . . . 1 1 21 21 VAL MG2 H . . . . . . . 6.70 . . . . . A . 22 ALA H . . A . 21 VAL MG2 . . . 22 ALA HN . . . . . 21 VAL QG2 . . rr_1daq 1 293 1 OR . 1 1 22 22 ALA H H . . . 1 1 21 21 VAL MG1 H . . . . . . . 6.11 . . . . . A . 22 ALA H . . A . 21 VAL MG1 . . . 22 ALA HN . . . . . 21 VAL QQG . . rr_1daq 1 293 2 OR . 1 1 22 22 ALA H H . . . 1 1 21 21 VAL MG2 H . . . . . . . 6.11 . . . . . A . 22 ALA H . . A . 21 VAL MG2 . . . 22 ALA HN . . . . . 21 VAL QQG . . rr_1daq 1 294 1 OR . 1 1 21 21 VAL MG1 H . . . 1 1 24 24 LYS HB3 H . . . . . . . 8.24 . . . . . A . 21 VAL MG1 . . A . 24 LYS HB3 . . . 21 VAL QQG . . . . . 24 LYS+ QB . . rr_1daq 1 294 2 OR . 1 1 21 21 VAL MG2 H . . . 1 1 24 24 LYS HB3 H . . . . . . . 8.24 . . . . . A . 21 VAL MG2 . . A . 24 LYS HB3 . . . 21 VAL QQG . . . . . 24 LYS+ QB . . rr_1daq 1 294 3 OR . 1 1 24 24 LYS HB2 H . . . 1 1 21 21 VAL MG1 H . . . . . . . 8.24 . . . . . A . 24 LYS HB2 . . A . 21 VAL MG1 . . . 24 LYS+ QB . . . . . 21 VAL QQG . . rr_1daq 1 294 4 OR . 1 1 24 24 LYS HB2 H . . . 1 1 21 21 VAL MG2 H . . . . . . . 8.24 . . . . . A . 24 LYS HB2 . . A . 21 VAL MG2 . . . 24 LYS+ QB . . . . . 21 VAL QQG . . rr_1daq 1 295 1 OR . 1 1 21 21 VAL MG1 H . . . 1 1 24 24 LYS HD2 H . . . . . . . 9.46 . . . . . A . 21 VAL MG1 . . A . 24 LYS HD2 . . . 21 VAL QQG . . . . . 24 LYS+ QD . . rr_1daq 1 295 2 OR . 1 1 21 21 VAL MG2 H . . . 1 1 24 24 LYS HD2 H . . . . . . . 9.46 . . . . . A . 21 VAL MG2 . . A . 24 LYS HD2 . . . 21 VAL QQG . . . . . 24 LYS+ QD . . rr_1daq 1 295 3 OR . 1 1 24 24 LYS HD3 H . . . 1 1 21 21 VAL MG1 H . . . . . . . 9.46 . . . . . A . 24 LYS HD3 . . A . 21 VAL MG1 . . . 24 LYS+ QD . . . . . 21 VAL QQG . . rr_1daq 1 295 4 OR . 1 1 21 21 VAL MG2 H . . . 1 1 24 24 LYS HD3 H . . . . . . . 9.46 . . . . . A . 21 VAL MG2 . . A . 24 LYS HD3 . . . 21 VAL QQG . . . . . 24 LYS+ QD . . rr_1daq 1 296 1 OR . 1 1 21 21 VAL MG1 H . . . 1 1 25 25 ARG HD2 H . . . . . . . 9.46 . . . . . A . 21 VAL MG1 . . A . 25 ARG HD2 . . . 21 VAL QQG . . . . . 25 ARG+ QD . . rr_1daq 1 296 2 OR . 1 1 25 25 ARG HD3 H . . . 1 1 21 21 VAL MG1 H . . . . . . . 9.46 . . . . . A . 25 ARG HD3 . . A . 21 VAL MG1 . . . 25 ARG+ QD . . . . . 21 VAL QQG . . rr_1daq 1 296 3 OR . 1 1 25 25 ARG HD3 H . . . 1 1 21 21 VAL MG2 H . . . . . . . 9.46 . . . . . A . 25 ARG HD3 . . A . 21 VAL MG2 . . . 25 ARG+ QD . . . . . 21 VAL QQG . . rr_1daq 1 296 4 OR . 1 1 21 21 VAL MG2 H . . . 1 1 25 25 ARG HD2 H . . . . . . . 9.46 . . . . . A . 21 VAL MG2 . . A . 25 ARG HD2 . . . 21 VAL QQG . . . . . 25 ARG+ QD . . rr_1daq 1 297 1 OR . 1 1 34 34 ILE MG H . . . 1 1 21 21 VAL MG1 H . . . . . . . 9.62 . . . . . A . 34 ILE MG . . A . 21 VAL MG1 . . . 34 ILE QG2 . . . . . 21 VAL QQG . . rr_1daq 1 297 2 OR . 1 1 34 34 ILE MG H . . . 1 1 21 21 VAL MG2 H . . . . . . . 9.62 . . . . . A . 34 ILE MG . . A . 21 VAL MG2 . . . 34 ILE QG2 . . . . . 21 VAL QQG . . rr_1daq 1 298 1 . . 1 1 23 23 LEU H H . . . 1 1 22 22 ALA H H . . . . . . . 3.30 . . . . . A . 23 LEU H . . A . 22 ALA H . . . 23 LEU HN . . . . . 22 ALA HN . . rr_1daq 1 299 1 . . 1 1 22 22 ALA H H . . . 1 1 32 32 ILE MG H . . . . . . . 7.03 . . . . . A . 22 ALA H . . A . 32 ILE MG . . . 22 ALA HN . . . . . 32 ILE QG2 . . rr_1daq 1 300 1 . . 1 1 25 25 ARG H H . . . 1 1 22 22 ALA HA H . . . . . . . 3.98 . . . . . A . 25 ARG H . . A . 22 ALA HA . . . 25 ARG+ HN . . . . . 22 ALA HA . . rr_1daq 1 301 1 OR . 1 1 22 22 ALA HA H . . . 1 1 25 25 ARG HB3 H . . . . . . . 4.32 . . . . . A . 22 ALA HA . . A . 25 ARG HB3 . . . 22 ALA HA . . . . . 25 ARG+ QB . . rr_1daq 1 301 2 OR . 1 1 22 22 ALA HA H . . . 1 1 25 25 ARG HB2 H . . . . . . . 4.32 . . . . . A . 22 ALA HA . . A . 25 ARG HB2 . . . 22 ALA HA . . . . . 25 ARG+ QB . . rr_1daq 1 302 1 OR . 1 1 22 22 ALA HA H . . . 1 1 25 25 ARG HG2 H . . . . . . . 6.55 . . . . . A . 22 ALA HA . . A . 25 ARG HG2 . . . 22 ALA HA . . . . . 25 ARG+ QG . . rr_1daq 1 302 2 OR . 1 1 25 25 ARG HG3 H . . . 1 1 22 22 ALA HA H . . . . . . . 6.55 . . . . . A . 25 ARG HG3 . . A . 22 ALA HA . . . 25 ARG+ QG . . . . . 22 ALA HA . . rr_1daq 1 303 1 . . 1 1 22 22 ALA MB H . . . 1 1 32 32 ILE MD H . . . . . . . 8.06 . . . . . A . 22 ALA MB . . A . 32 ILE MD . . . 22 ALA QB . . . . . 32 ILE QD1 . . rr_1daq 1 304 1 . . 1 1 22 22 ALA MB H . . . 1 1 34 34 ILE MG H . . . . . . . 7.37 . . . . . A . 22 ALA MB . . A . 34 ILE MG . . . 22 ALA QB . . . . . 34 ILE QG2 . . rr_1daq 1 305 1 OR . 1 1 23 23 LEU H H . . . 1 1 23 23 LEU MD2 H . . . . . . . 7.23 . . . . . A . 23 LEU H . . A . 23 LEU MD2 . . . 23 LEU HN . . . . . 23 LEU QQD . . rr_1daq 1 305 2 OR . 1 1 23 23 LEU H H . . . 1 1 23 23 LEU MD1 H . . . . . . . 7.23 . . . . . A . 23 LEU H . . A . 23 LEU MD1 . . . 23 LEU HN . . . . . 23 LEU QQD . . rr_1daq 1 306 1 . . 1 1 23 23 LEU H H . . . 1 1 24 24 LYS H H . . . . . . . 3.19 . . . . . A . 23 LEU H . . A . 24 LYS H . . . 23 LEU HN . . . . . 24 LYS+ HN . . rr_1daq 1 307 1 OR . 1 1 23 23 LEU H H . . . 1 1 26 26 TYR HB3 H . . . . . . . 6.23 . . . . . A . 23 LEU H . . A . 26 TYR HB3 . . . 23 LEU HN . . . . . 26 TYR QB . . rr_1daq 1 307 2 OR . 1 1 23 23 LEU H H . . . 1 1 26 26 TYR HB2 H . . . . . . . 6.23 . . . . . A . 23 LEU H . . A . 26 TYR HB2 . . . 23 LEU HN . . . . . 26 TYR QB . . rr_1daq 1 308 1 . . 1 1 34 34 ILE MD H . . . 1 1 23 23 LEU H H . . . . . . . 7.03 . . . . . A . 34 ILE MD . . A . 23 LEU H . . . 34 ILE QD1 . . . . . 23 LEU HN . . rr_1daq 1 309 1 . . 1 1 23 23 LEU MD1 H . . . 1 1 23 23 LEU HA H . . . . . . . 6.31 . . . . . A . 23 LEU MD1 . . A . 23 LEU HA . . . 23 LEU QD1 . . . . . 23 LEU HA . . rr_1daq 1 310 1 . . 1 1 23 23 LEU HA H . . . 1 1 23 23 LEU MD2 H . . . . . . . 6.31 . . . . . A . 23 LEU HA . . A . 23 LEU MD2 . . . 23 LEU HA . . . . . 23 LEU QD2 . . rr_1daq 1 311 1 . . 1 1 23 23 LEU HA H . . . 1 1 26 26 TYR H H . . . . . . . 3.12 . . . . . A . 23 LEU HA . . A . 26 TYR H . . . 23 LEU HA . . . . . 26 TYR HN . . rr_1daq 1 312 1 . . 1 1 26 26 TYR HB2 H . . . 1 1 23 23 LEU HA H . . . . . . . 4.24 . . . . . A . 26 TYR HB2 . . A . 23 LEU HA . . . 26 TYR HB2 . . . . . 23 LEU HA . . rr_1daq 1 313 1 . . 1 1 23 23 LEU HA H . . . 1 1 26 26 TYR HB3 H . . . . . . . 4.24 . . . . . A . 23 LEU HA . . A . 26 TYR HB3 . . . 23 LEU HA . . . . . 26 TYR HB3 . . rr_1daq 1 314 1 OR . 1 1 23 23 LEU HA H . . . 1 1 26 26 TYR HB3 H . . . . . . . 3.91 . . . . . A . 23 LEU HA . . A . 26 TYR HB3 . . . 23 LEU HA . . . . . 26 TYR QB . . rr_1daq 1 314 2 OR . 1 1 26 26 TYR HB2 H . . . 1 1 23 23 LEU HA H . . . . . . . 3.91 . . . . . A . 26 TYR HB2 . . A . 23 LEU HA . . . 26 TYR QB . . . . . 23 LEU HA . . rr_1daq 1 315 1 . . 1 1 26 26 TYR QD H . . . 1 1 23 23 LEU HA H . . . . . . . 8.14 . . . . . A . 26 TYR QD . . A . 23 LEU HA . . . 26 TYR QD . . . . . 23 LEU HA . . rr_1daq 1 316 1 . . 1 1 23 23 LEU HA H . . . 1 1 27 27 VAL H H . . . . . . . 3.98 . . . . . A . 23 LEU HA . . A . 27 VAL H . . . 23 LEU HA . . . . . 27 VAL HN . . rr_1daq 1 317 1 . . 1 1 34 34 ILE MD H . . . 1 1 23 23 LEU HA H . . . . . . . 6.09 . . . . . A . 34 ILE MD . . A . 23 LEU HA . . . 34 ILE QD1 . . . . . 23 LEU HA . . rr_1daq 1 318 1 OR . 1 1 23 23 LEU HA H . . . 1 1 47 47 VAL MG1 H . . . . . . . 8.12 . . . . . A . 23 LEU HA . . A . 47 VAL MG1 . . . 23 LEU HA . . . . . 47 VAL QQG . . rr_1daq 1 318 2 OR . 1 1 47 47 VAL MG2 H . . . 1 1 23 23 LEU HA H . . . . . . . 8.12 . . . . . A . 47 VAL MG2 . . A . 23 LEU HA . . . 47 VAL QQG . . . . . 23 LEU HA . . rr_1daq 1 319 1 OR . 1 1 23 23 LEU HB2 H . . . 1 1 27 27 VAL MG1 H . . . . . . . 8.78 . . . . . A . 23 LEU HB2 . . A . 27 VAL MG1 . . . 23 LEU QB . . . . . 27 VAL QQG . . rr_1daq 1 319 2 OR . 1 1 23 23 LEU HB3 H . . . 1 1 27 27 VAL MG1 H . . . . . . . 8.78 . . . . . A . 23 LEU HB3 . . A . 27 VAL MG1 . . . 23 LEU QB . . . . . 27 VAL QQG . . rr_1daq 1 319 3 OR . 1 1 27 27 VAL MG2 H . . . 1 1 23 23 LEU HB2 H . . . . . . . 8.78 . . . . . A . 27 VAL MG2 . . A . 23 LEU HB2 . . . 27 VAL QQG . . . . . 23 LEU QB . . rr_1daq 1 319 4 OR . 1 1 23 23 LEU HB3 H . . . 1 1 27 27 VAL MG2 H . . . . . . . 8.78 . . . . . A . 23 LEU HB3 . . A . 27 VAL MG2 . . . 23 LEU QB . . . . . 27 VAL QQG . . rr_1daq 1 320 1 OR . 1 1 23 23 LEU HB3 H . . . 1 1 47 47 VAL MG1 H . . . . . . . 9.00 . . . . . A . 23 LEU HB3 . . A . 47 VAL MG1 . . . 23 LEU QB . . . . . 47 VAL QQG . . rr_1daq 1 320 2 OR . 1 1 23 23 LEU HB2 H . . . 1 1 47 47 VAL MG1 H . . . . . . . 9.00 . . . . . A . 23 LEU HB2 . . A . 47 VAL MG1 . . . 23 LEU QB . . . . . 47 VAL QQG . . rr_1daq 1 320 3 OR . 1 1 47 47 VAL MG2 H . . . 1 1 23 23 LEU HB2 H . . . . . . . 9.00 . . . . . A . 47 VAL MG2 . . A . 23 LEU HB2 . . . 47 VAL QQG . . . . . 23 LEU QB . . rr_1daq 1 320 4 OR . 1 1 47 47 VAL MG2 H . . . 1 1 23 23 LEU HB3 H . . . . . . . 9.00 . . . . . A . 47 VAL MG2 . . A . 23 LEU HB3 . . . 47 VAL QQG . . . . . 23 LEU QB . . rr_1daq 1 321 1 . . 1 1 23 23 LEU HG H . . . 1 1 24 24 LYS H H . . . . . . . 4.88 . . . . . A . 23 LEU HG . . A . 24 LYS H . . . 23 LEU HG . . . . . 24 LYS+ HN . . rr_1daq 1 322 1 . . 1 1 34 34 ILE MD H . . . 1 1 23 23 LEU HG H . . . . . . . 7.03 . . . . . A . 34 ILE MD . . A . 23 LEU HG . . . 34 ILE QD1 . . . . . 23 LEU HG . . rr_1daq 1 323 1 . . 1 1 23 23 LEU HG H . . . 1 1 48 48 ASN HA H . . . . . . . 6.00 . . . . . A . 23 LEU HG . . A . 48 ASN HA . . . 23 LEU HG . . . . . 48 ASN HA . . rr_1daq 1 324 1 OR . 1 1 24 24 LYS H H . . . 1 1 23 23 LEU MD2 H . . . . . . . 7.63 . . . . . A . 24 LYS H . . A . 23 LEU MD2 . . . 24 LYS+ HN . . . . . 23 LEU QQD . . rr_1daq 1 324 2 OR . 1 1 23 23 LEU MD1 H . . . 1 1 24 24 LYS H H . . . . . . . 7.63 . . . . . A . 23 LEU MD1 . . A . 24 LYS H . . . 23 LEU QQD . . . . . 24 LYS+ HN . . rr_1daq 1 325 1 OR . 1 1 26 26 TYR H H . . . 1 1 23 23 LEU MD2 H . . . . . . . 6.51 . . . . . A . 26 TYR H . . A . 23 LEU MD2 . . . 26 TYR HN . . . . . 23 LEU QQD . . rr_1daq 1 325 2 OR . 1 1 23 23 LEU MD1 H . . . 1 1 26 26 TYR H H . . . . . . . 6.51 . . . . . A . 23 LEU MD1 . . A . 26 TYR H . . . 23 LEU QQD . . . . . 26 TYR HN . . rr_1daq 1 326 1 OR . 1 1 26 26 TYR QD H . . . 1 1 23 23 LEU MD2 H . . . . . . . 9.94 . . . . . A . 26 TYR QD . . A . 23 LEU MD2 . . . 26 TYR QD . . . . . 23 LEU QQD . . rr_1daq 1 326 2 OR . 1 1 26 26 TYR QD H . . . 1 1 23 23 LEU MD1 H . . . . . . . 9.94 . . . . . A . 26 TYR QD . . A . 23 LEU MD1 . . . 26 TYR QD . . . . . 23 LEU QQD . . rr_1daq 1 327 1 OR . 1 1 26 26 TYR QE H . . . 1 1 23 23 LEU MD2 H . . . . . . . 10.73 . . . . . A . 26 TYR QE . . A . 23 LEU MD2 . . . 26 TYR QE . . . . . 23 LEU QQD . . rr_1daq 1 327 2 OR . 1 1 26 26 TYR QE H . . . 1 1 23 23 LEU MD1 H . . . . . . . 10.73 . . . . . A . 26 TYR QE . . A . 23 LEU MD1 . . . 26 TYR QE . . . . . 23 LEU QQD . . rr_1daq 1 328 1 OR . 1 1 34 34 ILE MD H . . . 1 1 23 23 LEU MD2 H . . . . . . . 9.01 . . . . . A . 34 ILE MD . . A . 23 LEU MD2 . . . 34 ILE QD1 . . . . . 23 LEU QQD . . rr_1daq 1 328 2 OR . 1 1 34 34 ILE MD H . . . 1 1 23 23 LEU MD1 H . . . . . . . 9.01 . . . . . A . 34 ILE MD . . A . 23 LEU MD1 . . . 34 ILE QD1 . . . . . 23 LEU QQD . . rr_1daq 1 329 1 OR . 1 1 48 48 ASN HA H . . . 1 1 23 23 LEU MD2 H . . . . . . . 8.60 . . . . . A . 48 ASN HA . . A . 23 LEU MD2 . . . 48 ASN HA . . . . . 23 LEU QQD . . rr_1daq 1 329 2 OR . 1 1 23 23 LEU MD1 H . . . 1 1 48 48 ASN HA H . . . . . . . 8.60 . . . . . A . 23 LEU MD1 . . A . 48 ASN HA . . . 23 LEU QQD . . . . . 48 ASN HA . . rr_1daq 1 330 1 . . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HB2 H . . . . . . . 2.90 . . . . . A . 24 LYS H . . A . 24 LYS HB2 . . . 24 LYS+ HN . . . . . 24 LYS+ HB2 . . rr_1daq 1 331 1 . . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HB3 H . . . . . . . 2.90 . . . . . A . 24 LYS H . . A . 24 LYS HB3 . . . 24 LYS+ HN . . . . . 24 LYS+ HB3 . . rr_1daq 1 332 1 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HG2 H . . . . . . . 6.77 . . . . . A . 24 LYS H . . A . 24 LYS HG2 . . . 24 LYS+ HN . . . . . 24 LYS+ QG . . rr_1daq 1 332 2 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HG3 H . . . . . . . 6.77 . . . . . A . 24 LYS H . . A . 24 LYS HG3 . . . 24 LYS+ HN . . . . . 24 LYS+ QG . . rr_1daq 1 333 1 . . 1 1 24 24 LYS H H . . . 1 1 25 25 ARG H H . . . . . . . 3.77 . . . . . A . 24 LYS H . . A . 25 ARG H . . . 24 LYS+ HN . . . . . 25 ARG+ HN . . rr_1daq 1 334 1 OR . 1 1 24 24 LYS H H . . . 1 1 27 27 VAL MG1 H . . . . . . . 6.36 . . . . . A . 24 LYS H . . A . 27 VAL MG1 . . . 24 LYS+ HN . . . . . 27 VAL QQG . . rr_1daq 1 334 2 OR . 1 1 24 24 LYS H H . . . 1 1 27 27 VAL MG2 H . . . . . . . 6.36 . . . . . A . 24 LYS H . . A . 27 VAL MG2 . . . 24 LYS+ HN . . . . . 27 VAL QQG . . rr_1daq 1 335 1 . . 1 1 27 27 VAL H H . . . 1 1 24 24 LYS HA H . . . . . . . 3.77 . . . . . A . 27 VAL H . . A . 24 LYS HA . . . 27 VAL HN . . . . . 24 LYS+ HA . . rr_1daq 1 336 1 . . 1 1 24 24 LYS HA H . . . 1 1 27 27 VAL HB H . . . . . . . 4.06 . . . . . A . 24 LYS HA . . A . 27 VAL HB . . . 24 LYS+ HA . . . . . 27 VAL HB . . rr_1daq 1 337 1 OR . 1 1 24 24 LYS HA H . . . 1 1 27 27 VAL MG1 H . . . . . . . 6.79 . . . . . A . 24 LYS HA . . A . 27 VAL MG1 . . . 24 LYS+ HA . . . . . 27 VAL QQG . . rr_1daq 1 337 2 OR . 1 1 27 27 VAL MG2 H . . . 1 1 24 24 LYS HA H . . . . . . . 6.79 . . . . . A . 27 VAL MG2 . . A . 24 LYS HA . . . 27 VAL QQG . . . . . 24 LYS+ HA . . rr_1daq 1 338 1 . . 1 1 24 24 LYS HA H . . . 1 1 28 28 LEU H H . . . . . . . 3.84 . . . . . A . 24 LYS HA . . A . 28 LEU H . . . 24 LYS+ HA . . . . . 28 LEU HN . . rr_1daq 1 339 1 OR . 1 1 25 25 ARG H H . . . 1 1 24 24 LYS HB3 H . . . . . . . 4.00 . . . . . A . 25 ARG H . . A . 24 LYS HB3 . . . 25 ARG+ HN . . . . . 24 LYS+ QB . . rr_1daq 1 339 2 OR . 1 1 24 24 LYS HB2 H . . . 1 1 25 25 ARG H H . . . . . . . 4.00 . . . . . A . 24 LYS HB2 . . A . 25 ARG H . . . 24 LYS+ QB . . . . . 25 ARG+ HN . . rr_1daq 1 340 1 OR . 1 1 25 25 ARG H H . . . 1 1 24 24 LYS HG2 H . . . . . . . 6.88 . . . . . A . 25 ARG H . . A . 24 LYS HG2 . . . 25 ARG+ HN . . . . . 24 LYS+ QG . . rr_1daq 1 340 2 OR . 1 1 24 24 LYS HG3 H . . . 1 1 25 25 ARG H H . . . . . . . 6.88 . . . . . A . 24 LYS HG3 . . A . 25 ARG H . . . 24 LYS+ QG . . . . . 25 ARG+ HN . . rr_1daq 1 341 1 OR . 1 1 26 26 TYR H H . . . 1 1 24 24 LYS HG2 H . . . . . . . 6.88 . . . . . A . 26 TYR H . . A . 24 LYS HG2 . . . 26 TYR HN . . . . . 24 LYS+ QG . . rr_1daq 1 341 2 OR . 1 1 24 24 LYS HG3 H . . . 1 1 26 26 TYR H H . . . . . . . 6.88 . . . . . A . 24 LYS HG3 . . A . 26 TYR H . . . 24 LYS+ QG . . . . . 26 TYR HN . . rr_1daq 1 342 1 . . 1 1 25 25 ARG H H . . . 1 1 25 25 ARG HB2 H . . . . . . . 3.80 . . . . . A . 25 ARG H . . A . 25 ARG HB2 . . . 25 ARG+ HN . . . . . 25 ARG+ HB2 . . rr_1daq 1 343 1 . . 1 1 25 25 ARG H H . . . 1 1 25 25 ARG HB3 H . . . . . . . 3.80 . . . . . A . 25 ARG H . . A . 25 ARG HB3 . . . 25 ARG+ HN . . . . . 25 ARG+ HB3 . . rr_1daq 1 344 1 OR . 1 1 25 25 ARG H H . . . 1 1 25 25 ARG HB3 H . . . . . . . 3.22 . . . . . A . 25 ARG H . . A . 25 ARG HB3 . . . 25 ARG+ HN . . . . . 25 ARG+ QB . . rr_1daq 1 344 2 OR . 1 1 25 25 ARG H H . . . 1 1 25 25 ARG HB2 H . . . . . . . 3.22 . . . . . A . 25 ARG H . . A . 25 ARG HB2 . . . 25 ARG+ HN . . . . . 25 ARG+ QB . . rr_1daq 1 345 1 OR . 1 1 25 25 ARG H H . . . 1 1 25 25 ARG HD2 H . . . . . . . 6.88 . . . . . A . 25 ARG H . . A . 25 ARG HD2 . . . 25 ARG+ HN . . . . . 25 ARG+ QD . . rr_1daq 1 345 2 OR . 1 1 25 25 ARG H H . . . 1 1 25 25 ARG HD3 H . . . . . . . 6.88 . . . . . A . 25 ARG H . . A . 25 ARG HD3 . . . 25 ARG+ HN . . . . . 25 ARG+ QD . . rr_1daq 1 346 1 . . 1 1 25 25 ARG H H . . . 1 1 26 26 TYR H H . . . . . . . 3.34 . . . . . A . 25 ARG H . . A . 26 TYR H . . . 25 ARG+ HN . . . . . 26 TYR HN . . rr_1daq 1 347 1 . . 1 1 25 25 ARG H H . . . 1 1 32 32 ILE MG H . . . . . . . 6.60 . . . . . A . 25 ARG H . . A . 32 ILE MG . . . 25 ARG+ HN . . . . . 32 ILE QG2 . . rr_1daq 1 348 1 . . 1 1 26 26 TYR H H . . . 1 1 25 25 ARG HA H . . . . . . . 3.48 . . . . . A . 26 TYR H . . A . 25 ARG HA . . . 26 TYR HN . . . . . 25 ARG+ HA . . rr_1daq 1 349 1 . . 1 1 28 28 LEU H H . . . 1 1 25 25 ARG HA H . . . . . . . 3.84 . . . . . A . 28 LEU H . . A . 25 ARG HA . . . 28 LEU HN . . . . . 25 ARG+ HA . . rr_1daq 1 350 1 OR . 1 1 25 25 ARG HA H . . . 1 1 28 28 LEU HB2 H . . . . . . . 4.72 . . . . . A . 25 ARG HA . . A . 28 LEU HB2 . . . 25 ARG+ HA . . . . . 28 LEU QB . . rr_1daq 1 350 2 OR . 1 1 25 25 ARG HA H . . . 1 1 28 28 LEU HB3 H . . . . . . . 4.72 . . . . . A . 25 ARG HA . . A . 28 LEU HB3 . . . 25 ARG+ HA . . . . . 28 LEU QB . . rr_1daq 1 351 1 OR . 1 1 26 26 TYR H H . . . 1 1 25 25 ARG HB3 H . . . . . . . 4.14 . . . . . A . 26 TYR H . . A . 25 ARG HB3 . . . 26 TYR HN . . . . . 25 ARG+ QB . . rr_1daq 1 351 2 OR . 1 1 25 25 ARG HB2 H . . . 1 1 26 26 TYR H H . . . . . . . 4.14 . . . . . A . 25 ARG HB2 . . A . 26 TYR H . . . 25 ARG+ QB . . . . . 26 TYR HN . . rr_1daq 1 352 1 OR . 1 1 25 25 ARG HG3 H . . . 1 1 29 29 ARG HG2 H . . . . . . . 7.75 . . . . . A . 25 ARG HG3 . . A . 29 ARG HG2 . . . 25 ARG+ QG . . . . . 29 ARG+ QG . . rr_1daq 1 352 2 OR . 1 1 25 25 ARG HG2 H . . . 1 1 29 29 ARG HG2 H . . . . . . . 7.75 . . . . . A . 25 ARG HG2 . . A . 29 ARG HG2 . . . 25 ARG+ QG . . . . . 29 ARG+ QG . . rr_1daq 1 352 3 OR . 1 1 29 29 ARG HG3 H . . . 1 1 25 25 ARG HG2 H . . . . . . . 7.75 . . . . . A . 29 ARG HG3 . . A . 25 ARG HG2 . . . 29 ARG+ QG . . . . . 25 ARG+ QG . . rr_1daq 1 352 4 OR . 1 1 25 25 ARG HG3 H . . . 1 1 29 29 ARG HG3 H . . . . . . . 7.75 . . . . . A . 25 ARG HG3 . . A . 29 ARG HG3 . . . 25 ARG+ QG . . . . . 29 ARG+ QG . . rr_1daq 1 353 1 . . 1 1 26 26 TYR HB2 H . . . 1 1 26 26 TYR H H . . . . . . . 3.01 . . . . . A . 26 TYR HB2 . . A . 26 TYR H . . . 26 TYR HB2 . . . . . 26 TYR HN . . rr_1daq 1 354 1 . . 1 1 26 26 TYR H H . . . 1 1 26 26 TYR HB3 H . . . . . . . 3.01 . . . . . A . 26 TYR H . . A . 26 TYR HB3 . . . 26 TYR HN . . . . . 26 TYR HB3 . . rr_1daq 1 355 1 . . 1 1 26 26 TYR H H . . . 1 1 27 27 VAL H H . . . . . . . 3.12 . . . . . A . 26 TYR H . . A . 27 VAL H . . . 26 TYR HN . . . . . 27 VAL HN . . rr_1daq 1 356 1 . . 1 1 26 26 TYR H H . . . 1 1 27 27 VAL HB H . . . . . . . 5.06 . . . . . A . 26 TYR H . . A . 27 VAL HB . . . 26 TYR HN . . . . . 27 VAL HB . . rr_1daq 1 357 1 . . 1 1 34 34 ILE MG H . . . 1 1 26 26 TYR H H . . . . . . . 7.03 . . . . . A . 34 ILE MG . . A . 26 TYR H . . . 34 ILE QG2 . . . . . 26 TYR HN . . rr_1daq 1 358 1 . . 1 1 34 34 ILE MD H . . . 1 1 26 26 TYR H H . . . . . . . 7.03 . . . . . A . 34 ILE MD . . A . 26 TYR H . . . 34 ILE QD1 . . . . . 26 TYR HN . . rr_1daq 1 359 1 . . 1 1 26 26 TYR HA H . . . 1 1 29 29 ARG H H . . . . . . . 3.80 . . . . . A . 26 TYR HA . . A . 29 ARG H . . . 26 TYR HA . . . . . 29 ARG+ HN . . rr_1daq 1 360 1 OR . 1 1 26 26 TYR HA H . . . 1 1 29 29 ARG HD2 H . . . . . . . 4.50 . . . . . A . 26 TYR HA . . A . 29 ARG HD2 . . . 26 TYR HA . . . . . 29 ARG+ QD . . rr_1daq 1 360 2 OR . 1 1 26 26 TYR HA H . . . 1 1 29 29 ARG HD3 H . . . . . . . 4.50 . . . . . A . 26 TYR HA . . A . 29 ARG HD3 . . . 26 TYR HA . . . . . 29 ARG+ QD . . rr_1daq 1 361 1 OR . 1 1 26 26 TYR HA H . . . 1 1 32 32 ILE HG12 H . . . . . . . 6.88 . . . . . A . 26 TYR HA . . A . 32 ILE HG12 . . . 26 TYR HA . . . . . 32 ILE QG1 . . rr_1daq 1 361 2 OR . 1 1 26 26 TYR HA H . . . 1 1 32 32 ILE HG13 H . . . . . . . 6.88 . . . . . A . 26 TYR HA . . A . 32 ILE HG13 . . . 26 TYR HA . . . . . 32 ILE QG1 . . rr_1daq 1 362 1 . . 1 1 34 34 ILE MD H . . . 1 1 26 26 TYR HA H . . . . . . . 6.78 . . . . . A . 34 ILE MD . . A . 26 TYR HA . . . 34 ILE QD1 . . . . . 26 TYR HA . . rr_1daq 1 363 1 . . 1 1 26 26 TYR HB2 H . . . 1 1 27 27 VAL H H . . . . . . . 4.34 . . . . . A . 26 TYR HB2 . . A . 27 VAL H . . . 26 TYR HB2 . . . . . 27 VAL HN . . rr_1daq 1 364 1 . . 1 1 32 32 ILE MD H . . . 1 1 26 26 TYR HB2 H . . . . . . . 6.02 . . . . . A . 32 ILE MD . . A . 26 TYR HB2 . . . 32 ILE QD1 . . . . . 26 TYR HB2 . . rr_1daq 1 365 1 . . 1 1 34 34 ILE MG H . . . 1 1 26 26 TYR HB2 H . . . . . . . 6.99 . . . . . A . 34 ILE MG . . A . 26 TYR HB2 . . . 34 ILE QG2 . . . . . 26 TYR HB2 . . rr_1daq 1 366 1 OR . 1 1 26 26 TYR HB2 H . . . 1 1 34 34 ILE HG13 H . . . . . . . 6.88 . . . . . A . 26 TYR HB2 . . A . 34 ILE HG13 . . . 26 TYR HB2 . . . . . 34 ILE QG1 . . rr_1daq 1 366 2 OR . 1 1 26 26 TYR HB2 H . . . 1 1 34 34 ILE HG12 H . . . . . . . 6.88 . . . . . A . 26 TYR HB2 . . A . 34 ILE HG12 . . . 26 TYR HB2 . . . . . 34 ILE QG1 . . rr_1daq 1 367 1 . . 1 1 34 34 ILE MD H . . . 1 1 26 26 TYR HB2 H . . . . . . . 6.42 . . . . . A . 34 ILE MD . . A . 26 TYR HB2 . . . 34 ILE QD1 . . . . . 26 TYR HB2 . . rr_1daq 1 368 1 . . 1 1 27 27 VAL H H . . . 1 1 26 26 TYR HB3 H . . . . . . . 4.34 . . . . . A . 27 VAL H . . A . 26 TYR HB3 . . . 27 VAL HN . . . . . 26 TYR HB3 . . rr_1daq 1 369 1 . . 1 1 32 32 ILE MD H . . . 1 1 26 26 TYR HB3 H . . . . . . . 6.02 . . . . . A . 32 ILE MD . . A . 26 TYR HB3 . . . 32 ILE QD1 . . . . . 26 TYR HB3 . . rr_1daq 1 370 1 . . 1 1 34 34 ILE MG H . . . 1 1 26 26 TYR HB3 H . . . . . . . 6.99 . . . . . A . 34 ILE MG . . A . 26 TYR HB3 . . . 34 ILE QG2 . . . . . 26 TYR HB3 . . rr_1daq 1 371 1 OR . 1 1 34 34 ILE HG13 H . . . 1 1 26 26 TYR HB3 H . . . . . . . 6.88 . . . . . A . 34 ILE HG13 . . A . 26 TYR HB3 . . . 34 ILE QG1 . . . . . 26 TYR HB3 . . rr_1daq 1 371 2 OR . 1 1 26 26 TYR HB3 H . . . 1 1 34 34 ILE HG12 H . . . . . . . 6.88 . . . . . A . 26 TYR HB3 . . A . 34 ILE HG12 . . . 26 TYR HB3 . . . . . 34 ILE QG1 . . rr_1daq 1 372 1 . . 1 1 34 34 ILE MD H . . . 1 1 26 26 TYR HB3 H . . . . . . . 6.42 . . . . . A . 34 ILE MD . . A . 26 TYR HB3 . . . 34 ILE QD1 . . . . . 26 TYR HB3 . . rr_1daq 1 373 1 OR . 1 1 27 27 VAL H H . . . 1 1 26 26 TYR HB3 H . . . . . . . 3.76 . . . . . A . 27 VAL H . . A . 26 TYR HB3 . . . 27 VAL HN . . . . . 26 TYR QB . . rr_1daq 1 373 2 OR . 1 1 26 26 TYR HB2 H . . . 1 1 27 27 VAL H H . . . . . . . 3.76 . . . . . A . 26 TYR HB2 . . A . 27 VAL H . . . 26 TYR QB . . . . . 27 VAL HN . . rr_1daq 1 374 1 OR . 1 1 27 27 VAL HB H . . . 1 1 26 26 TYR HB3 H . . . . . . . 6.88 . . . . . A . 27 VAL HB . . A . 26 TYR HB3 . . . 27 VAL HB . . . . . 26 TYR QB . . rr_1daq 1 374 2 OR . 1 1 26 26 TYR HB2 H . . . 1 1 27 27 VAL HB H . . . . . . . 6.88 . . . . . A . 26 TYR HB2 . . A . 27 VAL HB . . . 26 TYR QB . . . . . 27 VAL HB . . rr_1daq 1 375 1 OR . 1 1 26 26 TYR HB2 H . . . 1 1 32 32 ILE HG12 H . . . . . . . 7.75 . . . . . A . 26 TYR HB2 . . A . 32 ILE HG12 . . . 26 TYR QB . . . . . 32 ILE QG1 . . rr_1daq 1 375 2 OR . 1 1 26 26 TYR HB3 H . . . 1 1 32 32 ILE HG12 H . . . . . . . 7.75 . . . . . A . 26 TYR HB3 . . A . 32 ILE HG12 . . . 26 TYR QB . . . . . 32 ILE QG1 . . rr_1daq 1 375 3 OR . 1 1 32 32 ILE HG13 H . . . 1 1 26 26 TYR HB3 H . . . . . . . 7.75 . . . . . A . 32 ILE HG13 . . A . 26 TYR HB3 . . . 32 ILE QG1 . . . . . 26 TYR QB . . rr_1daq 1 375 4 OR . 1 1 26 26 TYR HB2 H . . . 1 1 32 32 ILE HG13 H . . . . . . . 7.75 . . . . . A . 26 TYR HB2 . . A . 32 ILE HG13 . . . 26 TYR QB . . . . . 32 ILE QG1 . . rr_1daq 1 376 1 OR . 1 1 32 32 ILE MD H . . . 1 1 26 26 TYR HB3 H . . . . . . . 5.74 . . . . . A . 32 ILE MD . . A . 26 TYR HB3 . . . 32 ILE QD1 . . . . . 26 TYR QB . . rr_1daq 1 376 2 OR . 1 1 32 32 ILE MD H . . . 1 1 26 26 TYR HB2 H . . . . . . . 5.74 . . . . . A . 32 ILE MD . . A . 26 TYR HB2 . . . 32 ILE QD1 . . . . . 26 TYR QB . . rr_1daq 1 377 1 OR . 1 1 34 34 ILE MG H . . . 1 1 26 26 TYR HB3 H . . . . . . . 6.35 . . . . . A . 34 ILE MG . . A . 26 TYR HB3 . . . 34 ILE QG2 . . . . . 26 TYR QB . . rr_1daq 1 377 2 OR . 1 1 34 34 ILE MG H . . . 1 1 26 26 TYR HB2 H . . . . . . . 6.35 . . . . . A . 34 ILE MG . . A . 26 TYR HB2 . . . 34 ILE QG2 . . . . . 26 TYR QB . . rr_1daq 1 378 1 OR . 1 1 34 34 ILE MD H . . . 1 1 26 26 TYR HB3 H . . . . . . . 6.30 . . . . . A . 34 ILE MD . . A . 26 TYR HB3 . . . 34 ILE QD1 . . . . . 26 TYR QB . . rr_1daq 1 378 2 OR . 1 1 34 34 ILE MD H . . . 1 1 26 26 TYR HB2 H . . . . . . . 6.30 . . . . . A . 34 ILE MD . . A . 26 TYR HB2 . . . 34 ILE QD1 . . . . . 26 TYR QB . . rr_1daq 1 379 1 . . 1 1 26 26 TYR QD H . . . 1 1 27 27 VAL H H . . . . . . . 8.14 . . . . . A . 26 TYR QD . . A . 27 VAL H . . . 26 TYR QD . . . . . 27 VAL HN . . rr_1daq 1 380 1 . . 1 1 26 26 TYR QD H . . . 1 1 27 27 VAL HA H . . . . . . . 8.14 . . . . . A . 26 TYR QD . . A . 27 VAL HA . . . 26 TYR QD . . . . . 27 VAL HA . . rr_1daq 1 381 1 . . 1 1 26 26 TYR QD H . . . 1 1 27 27 VAL MG1 H . . . . . . . 8.92 . . . . . A . 26 TYR QD . . A . 27 VAL MG1 . . . 26 TYR QD . . . . . 27 VAL QG1 . . rr_1daq 1 382 1 . . 1 1 26 26 TYR QD H . . . 1 1 27 27 VAL MG2 H . . . . . . . 8.92 . . . . . A . 26 TYR QD . . A . 27 VAL MG2 . . . 26 TYR QD . . . . . 27 VAL QG2 . . rr_1daq 1 383 1 . . 1 1 26 26 TYR QD H . . . 1 1 32 32 ILE HB H . . . . . . . 8.14 . . . . . A . 26 TYR QD . . A . 32 ILE HB . . . 26 TYR QD . . . . . 32 ILE HB . . rr_1daq 1 384 1 OR . 1 1 26 26 TYR QD H . . . 1 1 32 32 ILE HG12 H . . . . . . . 9.02 . . . . . A . 26 TYR QD . . A . 32 ILE HG12 . . . 26 TYR QD . . . . . 32 ILE QG1 . . rr_1daq 1 384 2 OR . 1 1 26 26 TYR QD H . . . 1 1 32 32 ILE HG13 H . . . . . . . 9.02 . . . . . A . 26 TYR QD . . A . 32 ILE HG13 . . . 26 TYR QD . . . . . 32 ILE QG1 . . rr_1daq 1 385 1 . . 1 1 26 26 TYR QD H . . . 1 1 33 33 SER HA H . . . . . . . 8.14 . . . . . A . 26 TYR QD . . A . 33 SER HA . . . 26 TYR QD . . . . . 33 SER HA . . rr_1daq 1 386 1 . . 1 1 26 26 TYR QD H . . . 1 1 34 34 ILE MG H . . . . . . . 9.13 . . . . . A . 26 TYR QD . . A . 34 ILE MG . . . 26 TYR QD . . . . . 34 ILE QG2 . . rr_1daq 1 387 1 OR . 1 1 26 26 TYR QD H . . . 1 1 34 34 ILE HG12 H . . . . . . . 9.02 . . . . . A . 26 TYR QD . . A . 34 ILE HG12 . . . 26 TYR QD . . . . . 34 ILE QG1 . . rr_1daq 1 387 2 OR . 1 1 26 26 TYR QD H . . . 1 1 34 34 ILE HG13 H . . . . . . . 9.02 . . . . . A . 26 TYR QD . . A . 34 ILE HG13 . . . 26 TYR QD . . . . . 34 ILE QG1 . . rr_1daq 1 388 1 . . 1 1 34 34 ILE MD H . . . 1 1 26 26 TYR QD H . . . . . . . 9.17 . . . . . A . 34 ILE MD . . A . 26 TYR QD . . . 34 ILE QD1 . . . . . 26 TYR QD . . rr_1daq 1 389 1 . . 1 1 39 39 ALA MB H . . . 1 1 26 26 TYR QD H . . . . . . . 9.17 . . . . . A . 39 ALA MB . . A . 26 TYR QD . . . 39 ALA QB . . . . . 26 TYR QD . . rr_1daq 1 390 1 OR . 1 1 26 26 TYR QD H . . . 1 1 40 40 ASP HB2 H . . . . . . . 8.30 . . . . . A . 26 TYR QD . . A . 40 ASP HB2 . . . 26 TYR QD . . . . . 40 ASP- QB . . rr_1daq 1 390 2 OR . 1 1 40 40 ASP HB3 H . . . 1 1 26 26 TYR QD H . . . . . . . 8.30 . . . . . A . 40 ASP HB3 . . A . 26 TYR QD . . . 40 ASP- QB . . . . . 26 TYR QD . . rr_1daq 1 391 1 . . 1 1 26 26 TYR QD H . . . 1 1 46 46 ARG HA H . . . . . . . 8.14 . . . . . A . 26 TYR QD . . A . 46 ARG HA . . . 26 TYR QD . . . . . 46 ARG+ HA . . rr_1daq 1 392 1 OR . 1 1 26 26 TYR QD H . . . 1 1 47 47 VAL MG1 H . . . . . . . 10.26 . . . . . A . 26 TYR QD . . A . 47 VAL MG1 . . . 26 TYR QD . . . . . 47 VAL QQG . . rr_1daq 1 392 2 OR . 1 1 26 26 TYR QD H . . . 1 1 47 47 VAL MG2 H . . . . . . . 10.26 . . . . . A . 26 TYR QD . . A . 47 VAL MG2 . . . 26 TYR QD . . . . . 47 VAL QQG . . rr_1daq 1 393 1 . . 1 1 26 26 TYR QE H . . . 1 1 27 27 VAL HA H . . . . . . . 8.13 . . . . . A . 26 TYR QE . . A . 27 VAL HA . . . 26 TYR QE . . . . . 27 VAL HA . . rr_1daq 1 394 1 . . 1 1 26 26 TYR QE H . . . 1 1 27 27 VAL MG1 H . . . . . . . 9.16 . . . . . A . 26 TYR QE . . A . 27 VAL MG1 . . . 26 TYR QE . . . . . 27 VAL QG1 . . rr_1daq 1 395 1 . . 1 1 26 26 TYR QE H . . . 1 1 27 27 VAL MG2 H . . . . . . . 9.16 . . . . . A . 26 TYR QE . . A . 27 VAL MG2 . . . 26 TYR QE . . . . . 27 VAL QG2 . . rr_1daq 1 396 1 . . 1 1 26 26 TYR QE H . . . 1 1 33 33 SER HA H . . . . . . . 8.13 . . . . . A . 26 TYR QE . . A . 33 SER HA . . . 26 TYR QE . . . . . 33 SER HA . . rr_1daq 1 397 1 . . 1 1 34 34 ILE HA H . . . 1 1 26 26 TYR QE H . . . . . . . 8.13 . . . . . A . 34 ILE HA . . A . 26 TYR QE . . . 34 ILE HA . . . . . 26 TYR QE . . rr_1daq 1 398 1 . . 1 1 34 34 ILE MG H . . . 1 1 26 26 TYR QE H . . . . . . . 9.16 . . . . . A . 34 ILE MG . . A . 26 TYR QE . . . 34 ILE QG2 . . . . . 26 TYR QE . . rr_1daq 1 399 1 OR . 1 1 26 26 TYR QE H . . . 1 1 34 34 ILE HG12 H . . . . . . . 9.01 . . . . . A . 26 TYR QE . . A . 34 ILE HG12 . . . 26 TYR QE . . . . . 34 ILE QG1 . . rr_1daq 1 399 2 OR . 1 1 26 26 TYR QE H . . . 1 1 34 34 ILE HG13 H . . . . . . . 9.01 . . . . . A . 26 TYR QE . . A . 34 ILE HG13 . . . 26 TYR QE . . . . . 34 ILE QG1 . . rr_1daq 1 400 1 . . 1 1 34 34 ILE MD H . . . 1 1 26 26 TYR QE H . . . . . . . 9.16 . . . . . A . 34 ILE MD . . A . 26 TYR QE . . . 34 ILE QD1 . . . . . 26 TYR QE . . rr_1daq 1 401 1 . . 1 1 26 26 TYR QE H . . . 1 1 36 36 THR HB H . . . . . . . 8.13 . . . . . A . 26 TYR QE . . A . 36 THR HB . . . 26 TYR QE . . . . . 36 THR HB . . rr_1daq 1 402 1 . . 1 1 26 26 TYR QE H . . . 1 1 36 36 THR MG H . . . . . . . 9.16 . . . . . A . 26 TYR QE . . A . 36 THR MG . . . 26 TYR QE . . . . . 36 THR QG2 . . rr_1daq 1 403 1 . . 1 1 39 39 ALA MB H . . . 1 1 26 26 TYR QE H . . . . . . . 9.16 . . . . . A . 39 ALA MB . . A . 26 TYR QE . . . 39 ALA QB . . . . . 26 TYR QE . . rr_1daq 1 404 1 . . 1 1 26 26 TYR QE H . . . 1 1 46 46 ARG HA H . . . . . . . 8.13 . . . . . A . 26 TYR QE . . A . 46 ARG HA . . . 26 TYR QE . . . . . 46 ARG+ HA . . rr_1daq 1 405 1 OR . 1 1 26 26 TYR QE H . . . 1 1 47 47 VAL MG1 H . . . . . . . 9.89 . . . . . A . 26 TYR QE . . A . 47 VAL MG1 . . . 26 TYR QE . . . . . 47 VAL QQG . . rr_1daq 1 405 2 OR . 1 1 26 26 TYR QE H . . . 1 1 47 47 VAL MG2 H . . . . . . . 9.89 . . . . . A . 26 TYR QE . . A . 47 VAL MG2 . . . 26 TYR QE . . . . . 47 VAL QQG . . rr_1daq 1 406 1 . . 1 1 27 27 VAL H H . . . 1 1 27 27 VAL HB H . . . . . . . 3.30 . . . . . A . 27 VAL H . . A . 27 VAL HB . . . 27 VAL HN . . . . . 27 VAL HB . . rr_1daq 1 407 1 . . 1 1 27 27 VAL H H . . . 1 1 27 27 VAL MG1 H . . . . . . . 4.83 . . . . . A . 27 VAL H . . A . 27 VAL MG1 . . . 27 VAL HN . . . . . 27 VAL QG1 . . rr_1daq 1 408 1 . . 1 1 27 27 VAL H H . . . 1 1 27 27 VAL MG2 H . . . . . . . 4.83 . . . . . A . 27 VAL H . . A . 27 VAL MG2 . . . 27 VAL HN . . . . . 27 VAL QG2 . . rr_1daq 1 409 1 . . 1 1 27 27 VAL H H . . . 1 1 28 28 LEU H H . . . . . . . 3.16 . . . . . A . 27 VAL H . . A . 28 LEU H . . . 27 VAL HN . . . . . 28 LEU HN . . rr_1daq 1 410 1 . . 1 1 27 27 VAL HA H . . . 1 1 28 28 LEU HA H . . . . . . . 4.60 . . . . . A . 27 VAL HA . . A . 28 LEU HA . . . 27 VAL HA . . . . . 28 LEU HA . . rr_1daq 1 411 1 OR . 1 1 27 27 VAL HA H . . . 1 1 28 28 LEU MD1 H . . . . . . . 8.60 . . . . . A . 27 VAL HA . . A . 28 LEU MD1 . . . 27 VAL HA . . . . . 28 LEU QQD . . rr_1daq 1 411 2 OR . 1 1 27 27 VAL HA H . . . 1 1 28 28 LEU MD2 H . . . . . . . 8.60 . . . . . A . 27 VAL HA . . A . 28 LEU MD2 . . . 27 VAL HA . . . . . 28 LEU QQD . . rr_1daq 1 412 1 . . 1 1 29 29 ARG H H . . . 1 1 27 27 VAL HA H . . . . . . . 4.81 . . . . . A . 29 ARG H . . A . 27 VAL HA . . . 29 ARG+ HN . . . . . 27 VAL HA . . rr_1daq 1 413 1 . . 1 1 27 27 VAL HB H . . . 1 1 28 28 LEU H H . . . . . . . 3.59 . . . . . A . 27 VAL HB . . A . 28 LEU H . . . 27 VAL HB . . . . . 28 LEU HN . . rr_1daq 1 414 1 . . 1 1 27 27 VAL HB H . . . 1 1 29 29 ARG H H . . . . . . . 5.89 . . . . . A . 27 VAL HB . . A . 29 ARG H . . . 27 VAL HB . . . . . 29 ARG+ HN . . rr_1daq 1 415 1 . . 1 1 48 48 ASN HA H . . . 1 1 27 27 VAL MG1 H . . . . . . . 5.34 . . . . . A . 48 ASN HA . . A . 27 VAL MG1 . . . 48 ASN HA . . . . . 27 VAL QG1 . . rr_1daq 1 416 1 . . 1 1 27 27 VAL MG1 H . . . 1 1 48 48 ASN HB2 H . . . . . . . 8.78 . . . . . A . 27 VAL MG1 . . A . 48 ASN HB2 . . . 27 VAL QG1 . . . . . 48 ASN HB2 . . rr_1daq 1 417 1 . . 1 1 48 48 ASN HB3 H . . . 1 1 27 27 VAL MG1 H . . . . . . . 8.78 . . . . . A . 48 ASN HB3 . . A . 27 VAL MG1 . . . 48 ASN HB3 . . . . . 27 VAL QG1 . . rr_1daq 1 418 1 . . 1 1 27 27 VAL MG2 H . . . 1 1 48 48 ASN HA H . . . . . . . 5.34 . . . . . A . 27 VAL MG2 . . A . 48 ASN HA . . . 27 VAL QG2 . . . . . 48 ASN HA . . rr_1daq 1 419 1 . . 1 1 27 27 VAL MG2 H . . . 1 1 48 48 ASN HB2 H . . . . . . . 8.78 . . . . . A . 27 VAL MG2 . . A . 48 ASN HB2 . . . 27 VAL QG2 . . . . . 48 ASN HB2 . . rr_1daq 1 420 1 . . 1 1 27 27 VAL MG2 H . . . 1 1 48 48 ASN HB3 H . . . . . . . 8.78 . . . . . A . 27 VAL MG2 . . A . 48 ASN HB3 . . . 27 VAL QG2 . . . . . 48 ASN HB3 . . rr_1daq 1 421 1 OR . 1 1 28 28 LEU H H . . . 1 1 27 27 VAL MG1 H . . . . . . . 6.90 . . . . . A . 28 LEU H . . A . 27 VAL MG1 . . . 28 LEU HN . . . . . 27 VAL QQG . . rr_1daq 1 421 2 OR . 1 1 27 27 VAL MG2 H . . . 1 1 28 28 LEU H H . . . . . . . 6.90 . . . . . A . 27 VAL MG2 . . A . 28 LEU H . . . 27 VAL QQG . . . . . 28 LEU HN . . rr_1daq 1 422 1 OR . 1 1 27 27 VAL MG1 H . . . 1 1 45 45 GLY HA2 H . . . . . . . 9.46 . . . . . A . 27 VAL MG1 . . A . 45 GLY HA2 . . . 27 VAL QQG . . . . . 45 GLY QA . . rr_1daq 1 422 2 OR . 1 1 27 27 VAL MG2 H . . . 1 1 45 45 GLY HA2 H . . . . . . . 9.46 . . . . . A . 27 VAL MG2 . . A . 45 GLY HA2 . . . 27 VAL QQG . . . . . 45 GLY QA . . rr_1daq 1 422 3 OR . 1 1 45 45 GLY HA3 H . . . 1 1 27 27 VAL MG1 H . . . . . . . 9.46 . . . . . A . 45 GLY HA3 . . A . 27 VAL MG1 . . . 45 GLY QA . . . . . 27 VAL QQG . . rr_1daq 1 422 4 OR . 1 1 27 27 VAL MG2 H . . . 1 1 45 45 GLY HA3 H . . . . . . . 9.46 . . . . . A . 27 VAL MG2 . . A . 45 GLY HA3 . . . 27 VAL QQG . . . . . 45 GLY QA . . rr_1daq 1 423 1 OR . 1 1 48 48 ASN HA H . . . 1 1 27 27 VAL MG1 H . . . . . . . 5.01 . . . . . A . 48 ASN HA . . A . 27 VAL MG1 . . . 48 ASN HA . . . . . 27 VAL QQG . . rr_1daq 1 423 2 OR . 1 1 27 27 VAL MG2 H . . . 1 1 48 48 ASN HA H . . . . . . . 5.01 . . . . . A . 27 VAL MG2 . . A . 48 ASN HA . . . 27 VAL QQG . . . . . 48 ASN HA . . rr_1daq 1 424 1 OR . 1 1 27 27 VAL MG2 H . . . 1 1 48 48 ASN HB2 H . . . . . . . 7.75 . . . . . A . 27 VAL MG2 . . A . 48 ASN HB2 . . . 27 VAL QQG . . . . . 48 ASN QB . . rr_1daq 1 424 2 OR . 1 1 27 27 VAL MG1 H . . . 1 1 48 48 ASN HB2 H . . . . . . . 7.75 . . . . . A . 27 VAL MG1 . . A . 48 ASN HB2 . . . 27 VAL QQG . . . . . 48 ASN QB . . rr_1daq 1 424 3 OR . 1 1 48 48 ASN HB3 H . . . 1 1 27 27 VAL MG1 H . . . . . . . 7.75 . . . . . A . 48 ASN HB3 . . A . 27 VAL MG1 . . . 48 ASN QB . . . . . 27 VAL QQG . . rr_1daq 1 424 4 OR . 1 1 27 27 VAL MG2 H . . . 1 1 48 48 ASN HB3 H . . . . . . . 7.75 . . . . . A . 27 VAL MG2 . . A . 48 ASN HB3 . . . 27 VAL QQG . . . . . 48 ASN QB . . rr_1daq 1 425 1 . . 1 1 28 28 LEU H H . . . 1 1 28 28 LEU HG H . . . . . . . 4.31 . . . . . A . 28 LEU H . . A . 28 LEU HG . . . 28 LEU HN . . . . . 28 LEU HG . . rr_1daq 1 426 1 OR . 1 1 28 28 LEU H H . . . 1 1 28 28 LEU MD1 H . . . . . . . 7.84 . . . . . A . 28 LEU H . . A . 28 LEU MD1 . . . 28 LEU HN . . . . . 28 LEU QQD . . rr_1daq 1 426 2 OR . 1 1 28 28 LEU H H . . . 1 1 28 28 LEU MD2 H . . . . . . . 7.84 . . . . . A . 28 LEU H . . A . 28 LEU MD2 . . . 28 LEU HN . . . . . 28 LEU QQD . . rr_1daq 1 427 1 . . 1 1 29 29 ARG H H . . . 1 1 28 28 LEU HA H . . . . . . . 3.48 . . . . . A . 29 ARG H . . A . 28 LEU HA . . . 29 ARG+ HN . . . . . 28 LEU HA . . rr_1daq 1 428 1 OR . 1 1 28 28 LEU HA H . . . 1 1 29 29 ARG HG2 H . . . . . . . 6.88 . . . . . A . 28 LEU HA . . A . 29 ARG HG2 . . . 28 LEU HA . . . . . 29 ARG+ QG . . rr_1daq 1 428 2 OR . 1 1 29 29 ARG HG3 H . . . 1 1 28 28 LEU HA H . . . . . . . 6.88 . . . . . A . 29 ARG HG3 . . A . 28 LEU HA . . . 29 ARG+ QG . . . . . 28 LEU HA . . rr_1daq 1 429 1 OR . 1 1 29 29 ARG H H . . . 1 1 28 28 LEU HB2 H . . . . . . . 5.65 . . . . . A . 29 ARG H . . A . 28 LEU HB2 . . . 29 ARG+ HN . . . . . 28 LEU QB . . rr_1daq 1 429 2 OR . 1 1 28 28 LEU HB3 H . . . 1 1 29 29 ARG H H . . . . . . . 5.65 . . . . . A . 28 LEU HB3 . . A . 29 ARG H . . . 28 LEU QB . . . . . 29 ARG+ HN . . rr_1daq 1 430 1 OR . 1 1 29 29 ARG H H . . . 1 1 28 28 LEU MD1 H . . . . . . . 8.60 . . . . . A . 29 ARG H . . A . 28 LEU MD1 . . . 29 ARG+ HN . . . . . 28 LEU QQD . . rr_1daq 1 430 2 OR . 1 1 29 29 ARG H H . . . 1 1 28 28 LEU MD2 H . . . . . . . 8.60 . . . . . A . 29 ARG H . . A . 28 LEU MD2 . . . 29 ARG+ HN . . . . . 28 LEU QQD . . rr_1daq 1 431 1 OR . 1 1 29 29 ARG H H . . . 1 1 29 29 ARG HG2 H . . . . . . . 6.59 . . . . . A . 29 ARG H . . A . 29 ARG HG2 . . . 29 ARG+ HN . . . . . 29 ARG+ QG . . rr_1daq 1 431 2 OR . 1 1 29 29 ARG HG3 H . . . 1 1 29 29 ARG H H . . . . . . . 6.59 . . . . . A . 29 ARG HG3 . . A . 29 ARG H . . . 29 ARG+ QG . . . . . 29 ARG+ HN . . rr_1daq 1 432 1 OR . 1 1 29 29 ARG H H . . . 1 1 29 29 ARG HD2 H . . . . . . . 6.88 . . . . . A . 29 ARG H . . A . 29 ARG HD2 . . . 29 ARG+ HN . . . . . 29 ARG+ QD . . rr_1daq 1 432 2 OR . 1 1 29 29 ARG H H . . . 1 1 29 29 ARG HD3 H . . . . . . . 6.88 . . . . . A . 29 ARG H . . A . 29 ARG HD3 . . . 29 ARG+ HN . . . . . 29 ARG+ QD . . rr_1daq 1 433 1 OR . 1 1 29 29 ARG HA H . . . 1 1 29 29 ARG HD2 H . . . . . . . 6.88 . . . . . A . 29 ARG HA . . A . 29 ARG HD2 . . . 29 ARG+ HA . . . . . 29 ARG+ QD . . rr_1daq 1 433 2 OR . 1 1 29 29 ARG HD3 H . . . 1 1 29 29 ARG HA H . . . . . . . 6.88 . . . . . A . 29 ARG HD3 . . A . 29 ARG HA . . . 29 ARG+ QD . . . . . 29 ARG+ HA . . rr_1daq 1 434 1 OR . 1 1 31 31 GLY HA2 H . . . 1 1 32 32 ILE HG12 H . . . . . . . 6.38 . . . . . A . 31 GLY HA2 . . A . 32 ILE HG12 . . . 31 GLY QA . . . . . 32 ILE QG1 . . rr_1daq 1 434 2 OR . 1 1 31 31 GLY HA3 H . . . 1 1 32 32 ILE HG12 H . . . . . . . 6.38 . . . . . A . 31 GLY HA3 . . A . 32 ILE HG12 . . . 31 GLY QA . . . . . 32 ILE QG1 . . rr_1daq 1 434 3 OR . 1 1 32 32 ILE HG13 H . . . 1 1 31 31 GLY HA2 H . . . . . . . 6.38 . . . . . A . 32 ILE HG13 . . A . 31 GLY HA2 . . . 32 ILE QG1 . . . . . 31 GLY QA . . rr_1daq 1 434 4 OR . 1 1 32 32 ILE HG13 H . . . 1 1 31 31 GLY HA3 H . . . . . . . 6.38 . . . . . A . 32 ILE HG13 . . A . 31 GLY HA3 . . . 32 ILE QG1 . . . . . 31 GLY QA . . rr_1daq 1 435 1 . . 1 1 32 32 ILE H H . . . 1 1 32 32 ILE HA H . . . . . . . 2.72 . . . . . A . 32 ILE H . . A . 32 ILE HA . . . 32 ILE HN . . . . . 32 ILE HA . . rr_1daq 1 436 1 . . 1 1 32 32 ILE HB H . . . 1 1 32 32 ILE H H . . . . . . . 3.77 . . . . . A . 32 ILE HB . . A . 32 ILE H . . . 32 ILE HB . . . . . 32 ILE HN . . rr_1daq 1 437 1 OR . 1 1 32 32 ILE H H . . . 1 1 32 32 ILE HG12 H . . . . . . . 6.88 . . . . . A . 32 ILE H . . A . 32 ILE HG12 . . . 32 ILE HN . . . . . 32 ILE QG1 . . rr_1daq 1 437 2 OR . 1 1 32 32 ILE HG13 H . . . 1 1 32 32 ILE H H . . . . . . . 6.88 . . . . . A . 32 ILE HG13 . . A . 32 ILE H . . . 32 ILE QG1 . . . . . 32 ILE HN . . rr_1daq 1 438 1 . . 1 1 32 32 ILE MD H . . . 1 1 32 32 ILE H H . . . . . . . 5.37 . . . . . A . 32 ILE MD . . A . 32 ILE H . . . 32 ILE QD1 . . . . . 32 ILE HN . . rr_1daq 1 439 1 . . 1 1 32 32 ILE HA H . . . 1 1 33 33 SER H H . . . . . . . 3.55 . . . . . A . 32 ILE HA . . A . 33 SER H . . . 32 ILE HA . . . . . 33 SER HN . . rr_1daq 1 440 1 . . 1 1 32 32 ILE HB H . . . 1 1 33 33 SER H H . . . . . . . 4.34 . . . . . A . 32 ILE HB . . A . 33 SER H . . . 32 ILE HB . . . . . 33 SER HN . . rr_1daq 1 441 1 . . 1 1 32 32 ILE MG H . . . 1 1 33 33 SER H H . . . . . . . 6.99 . . . . . A . 32 ILE MG . . A . 33 SER H . . . 32 ILE QG2 . . . . . 33 SER HN . . rr_1daq 1 442 1 OR . 1 1 33 33 SER H H . . . 1 1 32 32 ILE HG12 H . . . . . . . 6.88 . . . . . A . 33 SER H . . A . 32 ILE HG12 . . . 33 SER HN . . . . . 32 ILE QG1 . . rr_1daq 1 442 2 OR . 1 1 32 32 ILE HG13 H . . . 1 1 33 33 SER H H . . . . . . . 6.88 . . . . . A . 32 ILE HG13 . . A . 33 SER H . . . 32 ILE QG1 . . . . . 33 SER HN . . rr_1daq 1 443 1 OR . 1 1 34 34 ILE H H . . . 1 1 32 32 ILE HG12 H . . . . . . . 6.88 . . . . . A . 34 ILE H . . A . 32 ILE HG12 . . . 34 ILE HN . . . . . 32 ILE QG1 . . rr_1daq 1 443 2 OR . 1 1 34 34 ILE H H . . . 1 1 32 32 ILE HG13 H . . . . . . . 6.88 . . . . . A . 34 ILE H . . A . 32 ILE HG13 . . . 34 ILE HN . . . . . 32 ILE QG1 . . rr_1daq 1 444 1 OR . 1 1 34 34 ILE MG H . . . 1 1 32 32 ILE HG12 H . . . . . . . 7.90 . . . . . A . 34 ILE MG . . A . 32 ILE HG12 . . . 34 ILE QG2 . . . . . 32 ILE QG1 . . rr_1daq 1 444 2 OR . 1 1 34 34 ILE MG H . . . 1 1 32 32 ILE HG13 H . . . . . . . 7.90 . . . . . A . 34 ILE MG . . A . 32 ILE HG13 . . . 34 ILE QG2 . . . . . 32 ILE QG1 . . rr_1daq 1 445 1 . . 1 1 32 32 ILE MD H . . . 1 1 33 33 SER H H . . . . . . . 7.03 . . . . . A . 32 ILE MD . . A . 33 SER H . . . 32 ILE QD1 . . . . . 33 SER HN . . rr_1daq 1 446 1 OR . 1 1 32 32 ILE MD H . . . 1 1 33 33 SER HB2 H . . . . . . . 7.54 . . . . . A . 32 ILE MD . . A . 33 SER HB2 . . . 32 ILE QD1 . . . . . 33 SER QB . . rr_1daq 1 446 2 OR . 1 1 32 32 ILE MD H . . . 1 1 33 33 SER HB3 H . . . . . . . 7.54 . . . . . A . 32 ILE MD . . A . 33 SER HB3 . . . 32 ILE QD1 . . . . . 33 SER QB . . rr_1daq 1 447 1 . . 1 1 34 34 ILE HA H . . . 1 1 32 32 ILE MD H . . . . . . . 7.03 . . . . . A . 34 ILE HA . . A . 32 ILE MD . . . 34 ILE HA . . . . . 32 ILE QD1 . . rr_1daq 1 448 1 . . 1 1 34 34 ILE MG H . . . 1 1 32 32 ILE MD H . . . . . . . 6.80 . . . . . A . 34 ILE MG . . A . 32 ILE MD . . . 34 ILE QG2 . . . . . 32 ILE QD1 . . rr_1daq 1 449 1 . . 1 1 34 34 ILE H H . . . 1 1 33 33 SER HA H . . . . . . . 2.87 . . . . . A . 34 ILE H . . A . 33 SER HA . . . 34 ILE HN . . . . . 33 SER HA . . rr_1daq 1 450 1 . . 1 1 34 34 ILE MG H . . . 1 1 33 33 SER HA H . . . . . . . 7.03 . . . . . A . 34 ILE MG . . A . 33 SER HA . . . 34 ILE QG2 . . . . . 33 SER HA . . rr_1daq 1 451 1 OR . 1 1 33 33 SER HA H . . . 1 1 34 34 ILE HG12 H . . . . . . . 6.88 . . . . . A . 33 SER HA . . A . 34 ILE HG12 . . . 33 SER HA . . . . . 34 ILE QG1 . . rr_1daq 1 451 2 OR . 1 1 34 34 ILE HG13 H . . . 1 1 33 33 SER HA H . . . . . . . 6.88 . . . . . A . 34 ILE HG13 . . A . 33 SER HA . . . 34 ILE QG1 . . . . . 33 SER HA . . rr_1daq 1 452 1 OR . 1 1 34 34 ILE H H . . . 1 1 34 34 ILE HG12 H . . . . . . . 5.76 . . . . . A . 34 ILE H . . A . 34 ILE HG12 . . . 34 ILE HN . . . . . 34 ILE QG1 . . rr_1daq 1 452 2 OR . 1 1 34 34 ILE H H . . . 1 1 34 34 ILE HG13 H . . . . . . . 5.76 . . . . . A . 34 ILE H . . A . 34 ILE HG13 . . . 34 ILE HN . . . . . 34 ILE QG1 . . rr_1daq 1 453 1 . . 1 1 34 34 ILE H H . . . 1 1 34 34 ILE MD H . . . . . . . 7.03 . . . . . A . 34 ILE H . . A . 34 ILE MD . . . 34 ILE HN . . . . . 34 ILE QD1 . . rr_1daq 1 454 1 . . 1 1 34 34 ILE H H . . . 1 1 36 36 THR MG H . . . . . . . 7.03 . . . . . A . 34 ILE H . . A . 36 THR MG . . . 34 ILE HN . . . . . 36 THR QG2 . . rr_1daq 1 455 1 . . 1 1 35 35 ASN H H . . . 1 1 34 34 ILE HA H . . . . . . . 3.23 . . . . . A . 35 ASN H . . A . 34 ILE HA . . . 35 ASN HN . . . . . 34 ILE HA . . rr_1daq 1 456 1 . . 1 1 34 34 ILE HA H . . . 1 1 36 36 THR H H . . . . . . . 6.00 . . . . . A . 34 ILE HA . . A . 36 THR H . . . 34 ILE HA . . . . . 36 THR HN . . rr_1daq 1 457 1 . . 1 1 35 35 ASN H H . . . 1 1 34 34 ILE HB H . . . . . . . 3.01 . . . . . A . 35 ASN H . . A . 34 ILE HB . . . 35 ASN HN . . . . . 34 ILE HB . . rr_1daq 1 458 1 . . 1 1 35 35 ASN H H . . . 1 1 34 34 ILE MG H . . . . . . . 5.70 . . . . . A . 35 ASN H . . A . 34 ILE MG . . . 35 ASN HN . . . . . 34 ILE QG2 . . rr_1daq 1 459 1 . . 1 1 34 34 ILE MG H . . . 1 1 36 36 THR H H . . . . . . . 6.63 . . . . . A . 34 ILE MG . . A . 36 THR H . . . 34 ILE QG2 . . . . . 36 THR HN . . rr_1daq 1 460 1 . . 1 1 34 34 ILE MG H . . . 1 1 36 36 THR HA H . . . . . . . 7.03 . . . . . A . 34 ILE MG . . A . 36 THR HA . . . 34 ILE QG2 . . . . . 36 THR HA . . rr_1daq 1 461 1 . . 1 1 34 34 ILE MG H . . . 1 1 36 36 THR HB H . . . . . . . 6.09 . . . . . A . 34 ILE MG . . A . 36 THR HB . . . 34 ILE QG2 . . . . . 36 THR HB . . rr_1daq 1 462 1 . . 1 1 34 34 ILE MG H . . . 1 1 36 36 THR MG H . . . . . . . 7.59 . . . . . A . 34 ILE MG . . A . 36 THR MG . . . 34 ILE QG2 . . . . . 36 THR QG2 . . rr_1daq 1 463 1 OR . 1 1 35 35 ASN H H . . . 1 1 34 34 ILE HG12 H . . . . . . . 6.88 . . . . . A . 35 ASN H . . A . 34 ILE HG12 . . . 35 ASN HN . . . . . 34 ILE QG1 . . rr_1daq 1 463 2 OR . 1 1 35 35 ASN H H . . . 1 1 34 34 ILE HG13 H . . . . . . . 6.88 . . . . . A . 35 ASN H . . A . 34 ILE HG13 . . . 35 ASN HN . . . . . 34 ILE QG1 . . rr_1daq 1 464 1 OR . 1 1 36 36 THR H H . . . 1 1 34 34 ILE HG12 H . . . . . . . 6.88 . . . . . A . 36 THR H . . A . 34 ILE HG12 . . . 36 THR HN . . . . . 34 ILE QG1 . . rr_1daq 1 464 2 OR . 1 1 34 34 ILE HG13 H . . . 1 1 36 36 THR H H . . . . . . . 6.88 . . . . . A . 34 ILE HG13 . . A . 36 THR H . . . 34 ILE QG1 . . . . . 36 THR HN . . rr_1daq 1 465 1 OR . 1 1 36 36 THR HB H . . . 1 1 34 34 ILE HG12 H . . . . . . . 6.88 . . . . . A . 36 THR HB . . A . 34 ILE HG12 . . . 36 THR HB . . . . . 34 ILE QG1 . . rr_1daq 1 465 2 OR . 1 1 34 34 ILE HG13 H . . . 1 1 36 36 THR HB H . . . . . . . 6.88 . . . . . A . 34 ILE HG13 . . A . 36 THR HB . . . 34 ILE QG1 . . . . . 36 THR HB . . rr_1daq 1 466 1 OR . 1 1 36 36 THR MG H . . . 1 1 34 34 ILE HG12 H . . . . . . . 7.90 . . . . . A . 36 THR MG . . A . 34 ILE HG12 . . . 36 THR QG2 . . . . . 34 ILE QG1 . . rr_1daq 1 466 2 OR . 1 1 34 34 ILE HG13 H . . . 1 1 36 36 THR MG H . . . . . . . 7.90 . . . . . A . 34 ILE HG13 . . A . 36 THR MG . . . 34 ILE QG1 . . . . . 36 THR QG2 . . rr_1daq 1 467 1 . . 1 1 34 34 ILE MD H . . . 1 1 35 35 ASN H H . . . . . . . 7.03 . . . . . A . 34 ILE MD . . A . 35 ASN H . . . 34 ILE QD1 . . . . . 35 ASN HN . . rr_1daq 1 468 1 OR . 1 1 34 34 ILE MD H . . . 1 1 35 35 ASN HD21 H . . . . . . . 7.35 . . . . . A . 34 ILE MD . . A . 35 ASN HD21 . . . 34 ILE QD1 . . . . . 35 ASN QD2 . . rr_1daq 1 468 2 OR . 1 1 34 34 ILE MD H . . . 1 1 35 35 ASN HD22 H . . . . . . . 7.35 . . . . . A . 34 ILE MD . . A . 35 ASN HD22 . . . 34 ILE QD1 . . . . . 35 ASN QD2 . . rr_1daq 1 469 1 . . 1 1 34 34 ILE MD H . . . 1 1 36 36 THR H H . . . . . . . 7.03 . . . . . A . 34 ILE MD . . A . 36 THR H . . . 34 ILE QD1 . . . . . 36 THR HN . . rr_1daq 1 470 1 . . 1 1 34 34 ILE MD H . . . 1 1 36 36 THR HB H . . . . . . . 5.41 . . . . . A . 34 ILE MD . . A . 36 THR HB . . . 34 ILE QD1 . . . . . 36 THR HB . . rr_1daq 1 471 1 . . 1 1 34 34 ILE MD H . . . 1 1 36 36 THR MG H . . . . . . . 7.26 . . . . . A . 34 ILE MD . . A . 36 THR MG . . . 34 ILE QD1 . . . . . 36 THR QG2 . . rr_1daq 1 472 1 . . 1 1 34 34 ILE MD H . . . 1 1 39 39 ALA H H . . . . . . . 7.03 . . . . . A . 34 ILE MD . . A . 39 ALA H . . . 34 ILE QD1 . . . . . 39 ALA HN . . rr_1daq 1 473 1 . . 1 1 39 39 ALA HA H . . . 1 1 34 34 ILE MD H . . . . . . . 7.03 . . . . . A . 39 ALA HA . . A . 34 ILE MD . . . 39 ALA HA . . . . . 34 ILE QD1 . . rr_1daq 1 474 1 . . 1 1 34 34 ILE MD H . . . 1 1 40 40 ASP H H . . . . . . . 7.03 . . . . . A . 34 ILE MD . . A . 40 ASP H . . . 34 ILE QD1 . . . . . 40 ASP- HN . . rr_1daq 1 475 1 . . 1 1 35 35 ASN H H . . . 1 1 35 35 ASN HB2 H . . . . . . . 3.55 . . . . . A . 35 ASN H . . A . 35 ASN HB2 . . . 35 ASN HN . . . . . 35 ASN HB2 . . rr_1daq 1 476 1 . . 1 1 35 35 ASN HB3 H . . . 1 1 35 35 ASN H H . . . . . . . 3.55 . . . . . A . 35 ASN HB3 . . A . 35 ASN H . . . 35 ASN HB3 . . . . . 35 ASN HN . . rr_1daq 1 477 1 OR . 1 1 35 35 ASN H H . . . 1 1 35 35 ASN HB2 H . . . . . . . 3.33 . . . . . A . 35 ASN H . . A . 35 ASN HB2 . . . 35 ASN HN . . . . . 35 ASN QB . . rr_1daq 1 477 2 OR . 1 1 35 35 ASN HB3 H . . . 1 1 35 35 ASN H H . . . . . . . 3.33 . . . . . A . 35 ASN HB3 . . A . 35 ASN H . . . 35 ASN QB . . . . . 35 ASN HN . . rr_1daq 1 478 1 OR . 1 1 35 35 ASN H H . . . 1 1 35 35 ASN HD21 H . . . . . . . 3.66 . . . . . A . 35 ASN H . . A . 35 ASN HD21 . . . 35 ASN HN . . . . . 35 ASN QD2 . . rr_1daq 1 478 2 OR . 1 1 35 35 ASN H H . . . 1 1 35 35 ASN HD22 H . . . . . . . 3.66 . . . . . A . 35 ASN H . . A . 35 ASN HD22 . . . 35 ASN HN . . . . . 35 ASN QD2 . . rr_1daq 1 479 1 . . 1 1 35 35 ASN H H . . . 1 1 36 36 THR H H . . . . . . . 4.27 . . . . . A . 35 ASN H . . A . 36 THR H . . . 35 ASN HN . . . . . 36 THR HN . . rr_1daq 1 480 1 . . 1 1 36 36 THR H H . . . 1 1 35 35 ASN HA H . . . . . . . 2.98 . . . . . A . 36 THR H . . A . 35 ASN HA . . . 36 THR HN . . . . . 35 ASN HA . . rr_1daq 1 481 1 . . 1 1 35 35 ASN HA H . . . 1 1 37 37 ASP H H . . . . . . . 4.52 . . . . . A . 35 ASN HA . . A . 37 ASP H . . . 35 ASN HA . . . . . 37 ASP- HN . . rr_1daq 1 482 1 . . 1 1 36 36 THR H H . . . 1 1 35 35 ASN HB2 H . . . . . . . 5.10 . . . . . A . 36 THR H . . A . 35 ASN HB2 . . . 36 THR HN . . . . . 35 ASN HB2 . . rr_1daq 1 483 1 . . 1 1 35 35 ASN HB3 H . . . 1 1 36 36 THR H H . . . . . . . 5.10 . . . . . A . 35 ASN HB3 . . A . 36 THR H . . . 35 ASN HB3 . . . . . 36 THR HN . . rr_1daq 1 484 1 OR . 1 1 37 37 ASP H H . . . 1 1 35 35 ASN HB2 H . . . . . . . 6.37 . . . . . A . 37 ASP H . . A . 35 ASN HB2 . . . 37 ASP- HN . . . . . 35 ASN QB . . rr_1daq 1 484 2 OR . 1 1 35 35 ASN HB3 H . . . 1 1 37 37 ASP H H . . . . . . . 6.37 . . . . . A . 35 ASN HB3 . . A . 37 ASP H . . . 35 ASN QB . . . . . 37 ASP- HN . . rr_1daq 1 485 1 OR . 1 1 38 38 ASN H H . . . 1 1 35 35 ASN HB2 H . . . . . . . 5.18 . . . . . A . 38 ASN H . . A . 35 ASN HB2 . . . 38 ASN HN . . . . . 35 ASN QB . . rr_1daq 1 485 2 OR . 1 1 35 35 ASN HB3 H . . . 1 1 38 38 ASN H H . . . . . . . 5.18 . . . . . A . 35 ASN HB3 . . A . 38 ASN H . . . 35 ASN QB . . . . . 38 ASN HN . . rr_1daq 1 486 1 OR . 1 1 35 35 ASN HB2 H . . . 1 1 38 38 ASN HB2 H . . . . . . . 7.64 . . . . . A . 35 ASN HB2 . . A . 38 ASN HB2 . . . 35 ASN QB . . . . . 38 ASN QB . . rr_1daq 1 486 2 OR . 1 1 35 35 ASN HB3 H . . . 1 1 38 38 ASN HB2 H . . . . . . . 7.64 . . . . . A . 35 ASN HB3 . . A . 38 ASN HB2 . . . 35 ASN QB . . . . . 38 ASN QB . . rr_1daq 1 486 3 OR . 1 1 38 38 ASN HB3 H . . . 1 1 35 35 ASN HB2 H . . . . . . . 7.64 . . . . . A . 38 ASN HB3 . . A . 35 ASN HB2 . . . 38 ASN QB . . . . . 35 ASN QB . . rr_1daq 1 486 4 OR . 1 1 38 38 ASN HB3 H . . . 1 1 35 35 ASN HB3 H . . . . . . . 7.64 . . . . . A . 38 ASN HB3 . . A . 35 ASN HB3 . . . 38 ASN QB . . . . . 35 ASN QB . . rr_1daq 1 487 1 OR . 1 1 38 38 ASN HD21 H . . . 1 1 35 35 ASN HB3 H . . . . . . . 7.74 . . . . . A . 38 ASN HD21 . . A . 35 ASN HB3 . . . 38 ASN QD2 . . . . . 35 ASN QB . . rr_1daq 1 487 2 OR . 1 1 38 38 ASN HD21 H . . . 1 1 35 35 ASN HB2 H . . . . . . . 7.74 . . . . . A . 38 ASN HD21 . . A . 35 ASN HB2 . . . 38 ASN QD2 . . . . . 35 ASN QB . . rr_1daq 1 487 3 OR . 1 1 38 38 ASN HD22 H . . . 1 1 35 35 ASN HB3 H . . . . . . . 7.74 . . . . . A . 38 ASN HD22 . . A . 35 ASN HB3 . . . 38 ASN QD2 . . . . . 35 ASN QB . . rr_1daq 1 487 4 OR . 1 1 38 38 ASN HD22 H . . . 1 1 35 35 ASN HB2 H . . . . . . . 7.74 . . . . . A . 38 ASN HD22 . . A . 35 ASN HB2 . . . 38 ASN QD2 . . . . . 35 ASN QB . . rr_1daq 1 488 1 . . 1 1 36 36 THR HB H . . . 1 1 36 36 THR H H . . . . . . . 3.52 . . . . . A . 36 THR HB . . A . 36 THR H . . . 36 THR HB . . . . . 36 THR HN . . rr_1daq 1 489 1 . . 1 1 36 36 THR MG H . . . 1 1 36 36 THR H H . . . . . . . 4.72 . . . . . A . 36 THR MG . . A . 36 THR H . . . 36 THR QG2 . . . . . 36 THR HN . . rr_1daq 1 490 1 . . 1 1 39 39 ALA MB H . . . 1 1 36 36 THR H H . . . . . . . 7.03 . . . . . A . 39 ALA MB . . A . 36 THR H . . . 39 ALA QB . . . . . 36 THR HN . . rr_1daq 1 491 1 . . 1 1 36 36 THR HB H . . . 1 1 36 36 THR HA H . . . . . . . 2.94 . . . . . A . 36 THR HB . . A . 36 THR HA . . . 36 THR HB . . . . . 36 THR HA . . rr_1daq 1 492 1 . . 1 1 36 36 THR HB H . . . 1 1 37 37 ASP H H . . . . . . . 4.27 . . . . . A . 36 THR HB . . A . 37 ASP H . . . 36 THR HB . . . . . 37 ASP- HN . . rr_1daq 1 493 1 . . 1 1 39 39 ALA MB H . . . 1 1 36 36 THR HB H . . . . . . . 4.18 . . . . . A . 39 ALA MB . . A . 36 THR HB . . . 39 ALA QB . . . . . 36 THR HB . . rr_1daq 1 494 1 . . 1 1 36 36 THR MG H . . . 1 1 37 37 ASP H H . . . . . . . 7.03 . . . . . A . 36 THR MG . . A . 37 ASP H . . . 36 THR QG2 . . . . . 37 ASP- HN . . rr_1daq 1 495 1 . . 1 1 37 37 ASP H H . . . 1 1 37 37 ASP HB2 H . . . . . . . 3.77 . . . . . A . 37 ASP H . . A . 37 ASP HB2 . . . 37 ASP- HN . . . . . 37 ASP- HB2 . . rr_1daq 1 496 1 . . 1 1 37 37 ASP HB3 H . . . 1 1 37 37 ASP H H . . . . . . . 3.77 . . . . . A . 37 ASP HB3 . . A . 37 ASP H . . . 37 ASP- HB3 . . . . . 37 ASP- HN . . rr_1daq 1 497 1 OR . 1 1 37 37 ASP H H . . . 1 1 37 37 ASP HB2 H . . . . . . . 3.33 . . . . . A . 37 ASP H . . A . 37 ASP HB2 . . . 37 ASP- HN . . . . . 37 ASP- QB . . rr_1daq 1 497 2 OR . 1 1 37 37 ASP HB3 H . . . 1 1 37 37 ASP H H . . . . . . . 3.33 . . . . . A . 37 ASP HB3 . . A . 37 ASP H . . . 37 ASP- QB . . . . . 37 ASP- HN . . rr_1daq 1 498 1 . . 1 1 37 37 ASP H H . . . 1 1 38 38 ASN H H . . . . . . . 3.55 . . . . . A . 37 ASP H . . A . 38 ASN H . . . 37 ASP- HN . . . . . 38 ASN HN . . rr_1daq 1 499 1 . . 1 1 39 39 ALA H H . . . 1 1 37 37 ASP HA H . . . . . . . 4.70 . . . . . A . 39 ALA H . . A . 37 ASP HA . . . 39 ALA HN . . . . . 37 ASP- HA . . rr_1daq 1 500 1 OR . 1 1 38 38 ASN H H . . . 1 1 38 38 ASN HB2 H . . . . . . . 3.83 . . . . . A . 38 ASN H . . A . 38 ASN HB2 . . . 38 ASN HN . . . . . 38 ASN QB . . rr_1daq 1 500 2 OR . 1 1 38 38 ASN HB3 H . . . 1 1 38 38 ASN H H . . . . . . . 3.83 . . . . . A . 38 ASN HB3 . . A . 38 ASN H . . . 38 ASN QB . . . . . 38 ASN HN . . rr_1daq 1 501 1 OR . 1 1 38 38 ASN HD21 H . . . 1 1 38 38 ASN H H . . . . . . . 6.43 . . . . . A . 38 ASN HD21 . . A . 38 ASN H . . . 38 ASN QD2 . . . . . 38 ASN HN . . rr_1daq 1 501 2 OR . 1 1 38 38 ASN HD22 H . . . 1 1 38 38 ASN H H . . . . . . . 6.43 . . . . . A . 38 ASN HD22 . . A . 38 ASN H . . . 38 ASN QD2 . . . . . 38 ASN HN . . rr_1daq 1 502 1 . . 1 1 39 39 ALA HA H . . . 1 1 38 38 ASN H H . . . . . . . 5.17 . . . . . A . 39 ALA HA . . A . 38 ASN H . . . 39 ALA HA . . . . . 38 ASN HN . . rr_1daq 1 503 1 . . 1 1 39 39 ALA MB H . . . 1 1 38 38 ASN H H . . . . . . . 7.03 . . . . . A . 39 ALA MB . . A . 38 ASN H . . . 39 ALA QB . . . . . 38 ASN HN . . rr_1daq 1 504 1 OR . 1 1 38 38 ASN H H . . . 1 1 41 41 LEU MD2 H . . . . . . . 8.60 . . . . . A . 38 ASN H . . A . 41 LEU MD2 . . . 38 ASN HN . . . . . 41 LEU QQD . . rr_1daq 1 504 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 38 38 ASN H H . . . . . . . 8.60 . . . . . A . 41 LEU MD1 . . A . 38 ASN H . . . 41 LEU QQD . . . . . 38 ASN HN . . rr_1daq 1 505 1 . . 1 1 39 39 ALA H H . . . 1 1 38 38 ASN HB2 H . . . . . . . 5.03 . . . . . A . 39 ALA H . . A . 38 ASN HB2 . . . 39 ALA HN . . . . . 38 ASN HB2 . . rr_1daq 1 506 1 . . 1 1 38 38 ASN HB3 H . . . 1 1 39 39 ALA H H . . . . . . . 5.03 . . . . . A . 38 ASN HB3 . . A . 39 ALA H . . . 38 ASN HB3 . . . . . 39 ALA HN . . rr_1daq 1 507 1 . . 1 1 41 41 LEU MD1 H . . . 1 1 39 39 ALA H H . . . . . . . 7.03 . . . . . A . 41 LEU MD1 . . A . 39 ALA H . . . 41 LEU QD1 . . . . . 39 ALA HN . . rr_1daq 1 508 1 . . 1 1 39 39 ALA H H . . . 1 1 41 41 LEU MD2 H . . . . . . . 7.03 . . . . . A . 39 ALA H . . A . 41 LEU MD2 . . . 39 ALA HN . . . . . 41 LEU QD2 . . rr_1daq 1 509 1 OR . 1 1 39 39 ALA H H . . . 1 1 41 41 LEU MD2 H . . . . . . . 6.28 . . . . . A . 39 ALA H . . A . 41 LEU MD2 . . . 39 ALA HN . . . . . 41 LEU QQD . . rr_1daq 1 509 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 39 39 ALA H H . . . . . . . 6.28 . . . . . A . 41 LEU MD1 . . A . 39 ALA H . . . 41 LEU QQD . . . . . 39 ALA HN . . rr_1daq 1 510 1 OR . 1 1 39 39 ALA H H . . . 1 1 46 46 ARG HG2 H . . . . . . . 6.88 . . . . . A . 39 ALA H . . A . 46 ARG HG2 . . . 39 ALA HN . . . . . 46 ARG+ QG . . rr_1daq 1 510 2 OR . 1 1 39 39 ALA H H . . . 1 1 46 46 ARG HG3 H . . . . . . . 6.88 . . . . . A . 39 ALA H . . A . 46 ARG HG3 . . . 39 ALA HN . . . . . 46 ARG+ QG . . rr_1daq 1 511 1 OR . 1 1 39 39 ALA HA H . . . 1 1 41 41 LEU MD2 H . . . . . . . 6.69 . . . . . A . 39 ALA HA . . A . 41 LEU MD2 . . . 39 ALA HA . . . . . 41 LEU QQD . . rr_1daq 1 511 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 39 39 ALA HA H . . . . . . . 6.69 . . . . . A . 41 LEU MD1 . . A . 39 ALA HA . . . 41 LEU QQD . . . . . 39 ALA HA . . rr_1daq 1 512 1 . . 1 1 40 40 ASP H H . . . 1 1 40 40 ASP HB2 H . . . . . . . 3.52 . . . . . A . 40 ASP H . . A . 40 ASP HB2 . . . 40 ASP- HN . . . . . 40 ASP- HB2 . . rr_1daq 1 513 1 . . 1 1 40 40 ASP HB3 H . . . 1 1 40 40 ASP H H . . . . . . . 3.52 . . . . . A . 40 ASP HB3 . . A . 40 ASP H . . . 40 ASP- HB3 . . . . . 40 ASP- HN . . rr_1daq 1 514 1 OR . 1 1 40 40 ASP H H . . . 1 1 40 40 ASP HB2 H . . . . . . . 3.33 . . . . . A . 40 ASP H . . A . 40 ASP HB2 . . . 40 ASP- HN . . . . . 40 ASP- QB . . rr_1daq 1 514 2 OR . 1 1 40 40 ASP HB3 H . . . 1 1 40 40 ASP H H . . . . . . . 3.33 . . . . . A . 40 ASP HB3 . . A . 40 ASP H . . . 40 ASP- QB . . . . . 40 ASP- HN . . rr_1daq 1 515 1 . . 1 1 40 40 ASP H H . . . 1 1 41 41 LEU H H . . . . . . . 4.88 . . . . . A . 40 ASP H . . A . 41 LEU H . . . 40 ASP- HN . . . . . 41 LEU HN . . rr_1daq 1 516 1 . . 1 1 40 40 ASP H H . . . 1 1 41 41 LEU HG H . . . . . . . 5.86 . . . . . A . 40 ASP H . . A . 41 LEU HG . . . 40 ASP- HN . . . . . 41 LEU HG . . rr_1daq 1 517 1 OR . 1 1 40 40 ASP H H . . . 1 1 41 41 LEU MD2 H . . . . . . . 7.05 . . . . . A . 40 ASP H . . A . 41 LEU MD2 . . . 40 ASP- HN . . . . . 41 LEU QQD . . rr_1daq 1 517 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 40 40 ASP H H . . . . . . . 7.05 . . . . . A . 41 LEU MD1 . . A . 40 ASP H . . . 41 LEU QQD . . . . . 40 ASP- HN . . rr_1daq 1 518 1 OR . 1 1 40 40 ASP H H . . . 1 1 46 46 ARG HG2 H . . . . . . . 6.88 . . . . . A . 40 ASP H . . A . 46 ARG HG2 . . . 40 ASP- HN . . . . . 46 ARG+ QG . . rr_1daq 1 518 2 OR . 1 1 40 40 ASP H H . . . 1 1 46 46 ARG HG3 H . . . . . . . 6.88 . . . . . A . 40 ASP H . . A . 46 ARG HG3 . . . 40 ASP- HN . . . . . 46 ARG+ QG . . rr_1daq 1 519 1 . . 1 1 40 40 ASP H H . . . 1 1 55 55 LEU HG H . . . . . . . 6.00 . . . . . A . 40 ASP H . . A . 55 LEU HG . . . 40 ASP- HN . . . . . 55 LEU HG . . rr_1daq 1 520 1 . . 1 1 41 41 LEU H H . . . 1 1 40 40 ASP HA H . . . . . . . 3.12 . . . . . A . 41 LEU H . . A . 40 ASP HA . . . 41 LEU HN . . . . . 40 ASP- HA . . rr_1daq 1 521 1 . . 1 1 41 41 LEU HG H . . . 1 1 40 40 ASP HA H . . . . . . . 6.00 . . . . . A . 41 LEU HG . . A . 40 ASP HA . . . 41 LEU HG . . . . . 40 ASP- HA . . rr_1daq 1 522 1 . . 1 1 41 41 LEU H H . . . 1 1 40 40 ASP HB2 H . . . . . . . 5.14 . . . . . A . 41 LEU H . . A . 40 ASP HB2 . . . 41 LEU HN . . . . . 40 ASP- HB2 . . rr_1daq 1 523 1 . . 1 1 40 40 ASP HB3 H . . . 1 1 41 41 LEU H H . . . . . . . 5.14 . . . . . A . 40 ASP HB3 . . A . 41 LEU H . . . 40 ASP- HB3 . . . . . 41 LEU HN . . rr_1daq 1 524 1 OR . 1 1 43 43 GLU H H . . . 1 1 40 40 ASP HB2 H . . . . . . . 5.80 . . . . . A . 43 GLU H . . A . 40 ASP HB2 . . . 43 GLU- HN . . . . . 40 ASP- QB . . rr_1daq 1 524 2 OR . 1 1 40 40 ASP HB3 H . . . 1 1 43 43 GLU H H . . . . . . . 5.80 . . . . . A . 40 ASP HB3 . . A . 43 GLU H . . . 40 ASP- QB . . . . . 43 GLU- HN . . rr_1daq 1 525 1 . . 1 1 40 40 ASP CG C . . . 3 2 1 1 CA CA Ca . . . . . . . 4.00 . . . . . A . 40 ASP CG . . A . 73 CA CA . . . 40 ASP- CG . . . . . 96 CA CA . . rr_1daq 1 526 1 . . 1 1 41 41 LEU H H . . . 1 1 41 41 LEU HG H . . . . . . . 6.00 . . . . . A . 41 LEU H . . A . 41 LEU HG . . . 41 LEU HN . . . . . 41 LEU HG . . rr_1daq 1 527 1 . . 1 1 41 41 LEU MD1 H . . . 1 1 41 41 LEU H H . . . . . . . 6.70 . . . . . A . 41 LEU MD1 . . A . 41 LEU H . . . 41 LEU QD1 . . . . . 41 LEU HN . . rr_1daq 1 528 1 . . 1 1 41 41 LEU H H . . . 1 1 41 41 LEU MD2 H . . . . . . . 6.70 . . . . . A . 41 LEU H . . A . 41 LEU MD2 . . . 41 LEU HN . . . . . 41 LEU QD2 . . rr_1daq 1 529 1 OR . 1 1 41 41 LEU H H . . . 1 1 41 41 LEU MD2 H . . . . . . . 6.41 . . . . . A . 41 LEU H . . A . 41 LEU MD2 . . . 41 LEU HN . . . . . 41 LEU QQD . . rr_1daq 1 529 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 41 41 LEU H H . . . . . . . 6.41 . . . . . A . 41 LEU MD1 . . A . 41 LEU H . . . 41 LEU QQD . . . . . 41 LEU HN . . rr_1daq 1 530 1 . . 1 1 41 41 LEU H H . . . 1 1 42 42 ASN H H . . . . . . . 3.30 . . . . . A . 41 LEU H . . A . 42 ASN H . . . 41 LEU HN . . . . . 42 ASN HN . . rr_1daq 1 531 1 . . 1 1 41 41 LEU H H . . . 1 1 51 51 ASP HB2 H . . . . . . . 6.00 . . . . . A . 41 LEU H . . A . 51 ASP HB2 . . . 41 LEU HN . . . . . 51 ASP- HB2 . . rr_1daq 1 532 1 . . 1 1 41 41 LEU H H . . . 1 1 51 51 ASP HB3 H . . . . . . . 6.00 . . . . . A . 41 LEU H . . A . 51 ASP HB3 . . . 41 LEU HN . . . . . 51 ASP- HB3 . . rr_1daq 1 533 1 OR . 1 1 41 41 LEU H H . . . 1 1 51 51 ASP HB2 H . . . . . . . 5.42 . . . . . A . 41 LEU H . . A . 51 ASP HB2 . . . 41 LEU HN . . . . . 51 ASP- QB . . rr_1daq 1 533 2 OR . 1 1 41 41 LEU H H . . . 1 1 51 51 ASP HB3 H . . . . . . . 5.42 . . . . . A . 41 LEU H . . A . 51 ASP HB3 . . . 41 LEU HN . . . . . 51 ASP- QB . . rr_1daq 1 534 1 OR . 1 1 41 41 LEU H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 8.42 . . . . . A . 41 LEU H . . A . 55 LEU MD2 . . . 41 LEU HN . . . . . 55 LEU QQD . . rr_1daq 1 534 2 OR . 1 1 41 41 LEU H H . . . 1 1 55 55 LEU MD1 H . . . . . . . 8.42 . . . . . A . 41 LEU H . . A . 55 LEU MD1 . . . 41 LEU HN . . . . . 55 LEU QQD . . rr_1daq 1 535 1 . . 1 1 41 41 LEU HA H . . . 1 1 41 41 LEU HG H . . . . . . . 3.91 . . . . . A . 41 LEU HA . . A . 41 LEU HG . . . 41 LEU HA . . . . . 41 LEU HG . . rr_1daq 1 536 1 . . 1 1 41 41 LEU MD1 H . . . 1 1 41 41 LEU HA H . . . . . . . 5.23 . . . . . A . 41 LEU MD1 . . A . 41 LEU HA . . . 41 LEU QD1 . . . . . 41 LEU HA . . rr_1daq 1 537 1 . . 1 1 41 41 LEU HA H . . . 1 1 41 41 LEU MD2 H . . . . . . . 5.23 . . . . . A . 41 LEU HA . . A . 41 LEU MD2 . . . 41 LEU HA . . . . . 41 LEU QD2 . . rr_1daq 1 538 1 . . 1 1 41 41 LEU HA H . . . 1 1 43 43 GLU H H . . . . . . . 4.24 . . . . . A . 41 LEU HA . . A . 43 GLU H . . . 41 LEU HA . . . . . 43 GLU- HN . . rr_1daq 1 539 1 OR . 1 1 41 41 LEU HA H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.60 . . . . . A . 41 LEU HA . . A . 66 LEU MD2 . . . 41 LEU HA . . . . . 66 LEU QQD . . rr_1daq 1 539 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 41 41 LEU HA H . . . . . . . 8.60 . . . . . A . 66 LEU MD1 . . A . 41 LEU HA . . . 66 LEU QQD . . . . . 41 LEU HA . . rr_1daq 1 540 1 OR . 1 1 42 42 ASN H H . . . 1 1 41 41 LEU HB2 H . . . . . . . 5.29 . . . . . A . 42 ASN H . . A . 41 LEU HB2 . . . 42 ASN HN . . . . . 41 LEU QB . . rr_1daq 1 540 2 OR . 1 1 41 41 LEU HB3 H . . . 1 1 42 42 ASN H H . . . . . . . 5.29 . . . . . A . 41 LEU HB3 . . A . 42 ASN H . . . 41 LEU QB . . . . . 42 ASN HN . . rr_1daq 1 541 1 OR . 1 1 51 51 ASP HA H . . . 1 1 41 41 LEU HB2 H . . . . . . . 6.88 . . . . . A . 51 ASP HA . . A . 41 LEU HB2 . . . 51 ASP- HA . . . . . 41 LEU QB . . rr_1daq 1 541 2 OR . 1 1 41 41 LEU HB3 H . . . 1 1 51 51 ASP HA H . . . . . . . 6.88 . . . . . A . 41 LEU HB3 . . A . 51 ASP HA . . . 41 LEU QB . . . . . 51 ASP- HA . . rr_1daq 1 542 1 OR . 1 1 41 41 LEU HB3 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.79 . . . . . A . 41 LEU HB3 . . A . 66 LEU MD2 . . . 41 LEU QB . . . . . 66 LEU QQD . . rr_1daq 1 542 2 OR . 1 1 41 41 LEU HB2 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.79 . . . . . A . 41 LEU HB2 . . A . 66 LEU MD2 . . . 41 LEU QB . . . . . 66 LEU QQD . . rr_1daq 1 542 3 OR . 1 1 66 66 LEU MD1 H . . . 1 1 41 41 LEU HB2 H . . . . . . . 8.79 . . . . . A . 66 LEU MD1 . . A . 41 LEU HB2 . . . 66 LEU QQD . . . . . 41 LEU QB . . rr_1daq 1 542 4 OR . 1 1 66 66 LEU MD1 H . . . 1 1 41 41 LEU HB3 H . . . . . . . 8.79 . . . . . A . 66 LEU MD1 . . A . 41 LEU HB3 . . . 66 LEU QQD . . . . . 41 LEU QB . . rr_1daq 1 543 1 OR . 1 1 51 51 ASP HA H . . . 1 1 41 41 LEU MD2 H . . . . . . . 8.60 . . . . . A . 51 ASP HA . . A . 41 LEU MD2 . . . 51 ASP- HA . . . . . 41 LEU QQD . . rr_1daq 1 543 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 51 51 ASP HA H . . . . . . . 8.60 . . . . . A . 41 LEU MD1 . . A . 51 ASP HA . . . 41 LEU QQD . . . . . 51 ASP- HA . . rr_1daq 1 544 1 OR . 1 1 41 41 LEU MD2 H . . . 1 1 51 51 ASP HB2 H . . . . . . . 9.47 . . . . . A . 41 LEU MD2 . . A . 51 ASP HB2 . . . 41 LEU QQD . . . . . 51 ASP- QB . . rr_1daq 1 544 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 51 51 ASP HB2 H . . . . . . . 9.47 . . . . . A . 41 LEU MD1 . . A . 51 ASP HB2 . . . 41 LEU QQD . . . . . 51 ASP- QB . . rr_1daq 1 544 3 OR . 1 1 51 51 ASP HB3 H . . . 1 1 41 41 LEU MD2 H . . . . . . . 9.47 . . . . . A . 51 ASP HB3 . . A . 41 LEU MD2 . . . 51 ASP- QB . . . . . 41 LEU QQD . . rr_1daq 1 544 4 OR . 1 1 41 41 LEU MD1 H . . . 1 1 51 51 ASP HB3 H . . . . . . . 9.47 . . . . . A . 41 LEU MD1 . . A . 51 ASP HB3 . . . 41 LEU QQD . . . . . 51 ASP- QB . . rr_1daq 1 545 1 OR . 1 1 58 58 TYR QE H . . . 1 1 41 41 LEU MD2 H . . . . . . . 10.73 . . . . . A . 58 TYR QE . . A . 41 LEU MD2 . . . 58 TYR QE . . . . . 41 LEU QQD . . rr_1daq 1 545 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 58 58 TYR QE H . . . . . . . 10.73 . . . . . A . 41 LEU MD1 . . A . 58 TYR QE . . . 41 LEU QQD . . . . . 58 TYR QE . . rr_1daq 1 546 1 . . 1 1 43 43 GLU H H . . . 1 1 42 42 ASN H H . . . . . . . 2.87 . . . . . A . 43 GLU H . . A . 42 ASN H . . . 43 GLU- HN . . . . . 42 ASN HN . . rr_1daq 1 547 1 OR . 1 1 50 50 THR H H . . . 1 1 42 42 ASN HB2 H . . . . . . . 6.88 . . . . . A . 50 THR H . . A . 42 ASN HB2 . . . 50 THR HN . . . . . 42 ASN QB . . rr_1daq 1 547 2 OR . 1 1 42 42 ASN HB3 H . . . 1 1 50 50 THR H H . . . . . . . 6.88 . . . . . A . 42 ASN HB3 . . A . 50 THR H . . . 42 ASN QB . . . . . 50 THR HN . . rr_1daq 1 548 1 . . 3 2 1 1 CA CA Ca . . . 1 1 42 42 ASN OD1 O . . . . . . . 2.80 . . . . . A . 73 CA CA . . A . 42 ASN OD1 . . . 96 CA CA . . . . . 42 ASN OD1 . . rr_1daq 1 549 1 . . 1 1 42 42 ASN HD21 H . . . 1 1 50 50 THR MG H . . . . . . . 7.03 . . . . . A . 42 ASN HD21 . . A . 50 THR MG . . . 42 ASN HD21 . . . . . 50 THR QG2 . . rr_1daq 1 550 1 . . 1 1 50 50 THR MG H . . . 1 1 42 42 ASN HD22 H . . . . . . . 7.03 . . . . . A . 50 THR MG . . A . 42 ASN HD22 . . . 50 THR QG2 . . . . . 42 ASN HD22 . . rr_1daq 1 551 1 OR . 1 1 42 42 ASN HD21 H . . . 1 1 50 50 THR MG H . . . . . . . 6.19 . . . . . A . 42 ASN HD21 . . A . 50 THR MG . . . 42 ASN QD2 . . . . . 50 THR QG2 . . rr_1daq 1 551 2 OR . 1 1 50 50 THR MG H . . . 1 1 42 42 ASN HD22 H . . . . . . . 6.19 . . . . . A . 50 THR MG . . A . 42 ASN HD22 . . . 50 THR QG2 . . . . . 42 ASN QD2 . . rr_1daq 1 552 1 . . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HA H . . . . . . . 2.69 . . . . . A . 43 GLU H . . A . 43 GLU HA . . . 43 GLU- HN . . . . . 43 GLU- HA . . rr_1daq 1 553 1 . . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HB2 H . . . . . . . 4.09 . . . . . A . 43 GLU H . . A . 43 GLU HB2 . . . 43 GLU- HN . . . . . 43 GLU- HB2 . . rr_1daq 1 554 1 . . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HB3 H . . . . . . . 4.09 . . . . . A . 43 GLU H . . A . 43 GLU HB3 . . . 43 GLU- HN . . . . . 43 GLU- HB3 . . rr_1daq 1 555 1 OR . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HG2 H . . . . . . . 6.16 . . . . . A . 43 GLU H . . A . 43 GLU HG2 . . . 43 GLU- HN . . . . . 43 GLU- QG . . rr_1daq 1 555 2 OR . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HG3 H . . . . . . . 6.16 . . . . . A . 43 GLU H . . A . 43 GLU HG3 . . . 43 GLU- HN . . . . . 43 GLU- QG . . rr_1daq 1 556 1 . . 1 1 43 43 GLU H H . . . 1 1 44 44 ASP H H . . . . . . . 3.48 . . . . . A . 43 GLU H . . A . 44 ASP H . . . 43 GLU- HN . . . . . 44 ASP- HN . . rr_1daq 1 557 1 . . 1 1 43 43 GLU H H . . . 1 1 45 45 GLY H H . . . . . . . 6.00 . . . . . A . 43 GLU H . . A . 45 GLY H . . . 43 GLU- HN . . . . . 45 GLY HN . . rr_1daq 1 558 1 . . 1 1 43 43 GLU HA H . . . 1 1 44 44 ASP H H . . . . . . . 3.44 . . . . . A . 43 GLU HA . . A . 44 ASP H . . . 43 GLU- HA . . . . . 44 ASP- HN . . rr_1daq 1 559 1 . . 1 1 43 43 GLU HA H . . . 1 1 45 45 GLY H H . . . . . . . 3.80 . . . . . A . 43 GLU HA . . A . 45 GLY H . . . 43 GLU- HA . . . . . 45 GLY HN . . rr_1daq 1 560 1 OR . 1 1 45 45 GLY H H . . . 1 1 43 43 GLU HB2 H . . . . . . . 6.88 . . . . . A . 45 GLY H . . A . 43 GLU HB2 . . . 45 GLY HN . . . . . 43 GLU- QB . . rr_1daq 1 560 2 OR . 1 1 45 45 GLY H H . . . 1 1 43 43 GLU HB3 H . . . . . . . 6.88 . . . . . A . 45 GLY H . . A . 43 GLU HB3 . . . 45 GLY HN . . . . . 43 GLU- QB . . rr_1daq 1 561 1 OR . 1 1 44 44 ASP H H . . . 1 1 43 43 GLU HG2 H . . . . . . . 6.88 . . . . . A . 44 ASP H . . A . 43 GLU HG2 . . . 44 ASP- HN . . . . . 43 GLU- QG . . rr_1daq 1 561 2 OR . 1 1 43 43 GLU HG3 H . . . 1 1 44 44 ASP H H . . . . . . . 6.88 . . . . . A . 43 GLU HG3 . . A . 44 ASP H . . . 43 GLU- QG . . . . . 44 ASP- HN . . rr_1daq 1 562 1 OR . 1 1 44 44 ASP H H . . . 1 1 44 44 ASP HB2 H . . . . . . . 3.89 . . . . . A . 44 ASP H . . A . 44 ASP HB2 . . . 44 ASP- HN . . . . . 44 ASP- QB . . rr_1daq 1 562 2 OR . 1 1 44 44 ASP H H . . . 1 1 44 44 ASP HB3 H . . . . . . . 3.89 . . . . . A . 44 ASP H . . A . 44 ASP HB3 . . . 44 ASP- HN . . . . . 44 ASP- QB . . rr_1daq 1 563 1 . . 1 1 44 44 ASP H H . . . 1 1 45 45 GLY H H . . . . . . . 2.98 . . . . . A . 44 ASP H . . A . 45 GLY H . . . 44 ASP- HN . . . . . 45 GLY HN . . rr_1daq 1 564 1 OR . 1 1 44 44 ASP H H . . . 1 1 45 45 GLY HA2 H . . . . . . . 6.41 . . . . . A . 44 ASP H . . A . 45 GLY HA2 . . . 44 ASP- HN . . . . . 45 GLY QA . . rr_1daq 1 564 2 OR . 1 1 45 45 GLY HA3 H . . . 1 1 44 44 ASP H H . . . . . . . 6.41 . . . . . A . 45 GLY HA3 . . A . 44 ASP H . . . 45 GLY QA . . . . . 44 ASP- HN . . rr_1daq 1 565 1 OR . 1 1 48 48 ASN HA H . . . 1 1 44 44 ASP HB2 H . . . . . . . 5.36 . . . . . A . 48 ASN HA . . A . 44 ASP HB2 . . . 48 ASN HA . . . . . 44 ASP- QB . . rr_1daq 1 565 2 OR . 1 1 48 48 ASN HA H . . . 1 1 44 44 ASP HB3 H . . . . . . . 5.36 . . . . . A . 48 ASN HA . . A . 44 ASP HB3 . . . 48 ASN HA . . . . . 44 ASP- QB . . rr_1daq 1 566 1 . . 3 2 1 1 CA CA Ca . . . 1 1 44 44 ASP CG C . . . . . . . 4.00 . . . . . A . 73 CA CA . . A . 44 ASP CG . . . 96 CA CA . . . . . 44 ASP- CG . . rr_1daq 1 567 1 . . 1 1 45 45 GLY H H . . . 1 1 46 46 ARG H H . . . . . . . 3.16 . . . . . A . 45 GLY H . . A . 46 ARG H . . . 45 GLY HN . . . . . 46 ARG+ HN . . rr_1daq 1 568 1 OR . 1 1 45 45 GLY H H . . . 1 1 46 46 ARG HB3 H . . . . . . . 6.34 . . . . . A . 45 GLY H . . A . 46 ARG HB3 . . . 45 GLY HN . . . . . 46 ARG+ QB . . rr_1daq 1 568 2 OR . 1 1 46 46 ARG HB2 H . . . 1 1 45 45 GLY H H . . . . . . . 6.34 . . . . . A . 46 ARG HB2 . . A . 45 GLY H . . . 46 ARG+ QB . . . . . 45 GLY HN . . rr_1daq 1 569 1 OR . 1 1 45 45 GLY HA3 H . . . 1 1 47 47 VAL MG1 H . . . . . . . 9.00 . . . . . A . 45 GLY HA3 . . A . 47 VAL MG1 . . . 45 GLY QA . . . . . 47 VAL QQG . . rr_1daq 1 569 2 OR . 1 1 45 45 GLY HA2 H . . . 1 1 47 47 VAL MG1 H . . . . . . . 9.00 . . . . . A . 45 GLY HA2 . . A . 47 VAL MG1 . . . 45 GLY QA . . . . . 47 VAL QQG . . rr_1daq 1 569 3 OR . 1 1 47 47 VAL MG2 H . . . 1 1 45 45 GLY HA2 H . . . . . . . 9.00 . . . . . A . 47 VAL MG2 . . A . 45 GLY HA2 . . . 47 VAL QQG . . . . . 45 GLY QA . . rr_1daq 1 569 4 OR . 1 1 47 47 VAL MG2 H . . . 1 1 45 45 GLY HA3 H . . . . . . . 9.00 . . . . . A . 47 VAL MG2 . . A . 45 GLY HA3 . . . 47 VAL QQG . . . . . 45 GLY QA . . rr_1daq 1 570 1 . . 1 1 46 46 ARG HB2 H . . . 1 1 46 46 ARG H H . . . . . . . 3.95 . . . . . A . 46 ARG HB2 . . A . 46 ARG H . . . 46 ARG+ HB2 . . . . . 46 ARG+ HN . . rr_1daq 1 571 1 . . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HB3 H . . . . . . . 3.95 . . . . . A . 46 ARG H . . A . 46 ARG HB3 . . . 46 ARG+ HN . . . . . 46 ARG+ HB3 . . rr_1daq 1 572 1 OR . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HB3 H . . . . . . . 3.51 . . . . . A . 46 ARG H . . A . 46 ARG HB3 . . . 46 ARG+ HN . . . . . 46 ARG+ QB . . rr_1daq 1 572 2 OR . 1 1 46 46 ARG HB2 H . . . 1 1 46 46 ARG H H . . . . . . . 3.51 . . . . . A . 46 ARG HB2 . . A . 46 ARG H . . . 46 ARG+ QB . . . . . 46 ARG+ HN . . rr_1daq 1 573 1 OR . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HG2 H . . . . . . . 6.88 . . . . . A . 46 ARG H . . A . 46 ARG HG2 . . . 46 ARG+ HN . . . . . 46 ARG+ QG . . rr_1daq 1 573 2 OR . 1 1 46 46 ARG HG3 H . . . 1 1 46 46 ARG H H . . . . . . . 6.88 . . . . . A . 46 ARG HG3 . . A . 46 ARG H . . . 46 ARG+ QG . . . . . 46 ARG+ HN . . rr_1daq 1 574 1 OR . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HD2 H . . . . . . . 6.88 . . . . . A . 46 ARG H . . A . 46 ARG HD2 . . . 46 ARG+ HN . . . . . 46 ARG+ QD . . rr_1daq 1 574 2 OR . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HD3 H . . . . . . . 6.88 . . . . . A . 46 ARG H . . A . 46 ARG HD3 . . . 46 ARG+ HN . . . . . 46 ARG+ QD . . rr_1daq 1 575 1 OR . 1 1 46 46 ARG HB3 H . . . 1 1 47 47 VAL MG1 H . . . . . . . 7.74 . . . . . A . 46 ARG HB3 . . A . 47 VAL MG1 . . . 46 ARG+ QB . . . . . 47 VAL QQG . . rr_1daq 1 575 2 OR . 1 1 47 47 VAL MG2 H . . . 1 1 46 46 ARG HB3 H . . . . . . . 7.74 . . . . . A . 47 VAL MG2 . . A . 46 ARG HB3 . . . 47 VAL QQG . . . . . 46 ARG+ QB . . rr_1daq 1 575 3 OR . 1 1 47 47 VAL MG2 H . . . 1 1 46 46 ARG HB2 H . . . . . . . 7.74 . . . . . A . 47 VAL MG2 . . A . 46 ARG HB2 . . . 47 VAL QQG . . . . . 46 ARG+ QB . . rr_1daq 1 575 4 OR . 1 1 46 46 ARG HB2 H . . . 1 1 47 47 VAL MG1 H . . . . . . . 7.74 . . . . . A . 46 ARG HB2 . . A . 47 VAL MG1 . . . 46 ARG+ QB . . . . . 47 VAL QQG . . rr_1daq 1 576 1 OR . 1 1 46 46 ARG HB2 H . . . 1 1 48 48 ASN HD21 H . . . . . . . 7.74 . . . . . A . 46 ARG HB2 . . A . 48 ASN HD21 . . . 46 ARG+ QB . . . . . 48 ASN QD2 . . rr_1daq 1 576 2 OR . 1 1 46 46 ARG HB3 H . . . 1 1 48 48 ASN HD21 H . . . . . . . 7.74 . . . . . A . 46 ARG HB3 . . A . 48 ASN HD21 . . . 46 ARG+ QB . . . . . 48 ASN QD2 . . rr_1daq 1 576 3 OR . 1 1 48 48 ASN HD22 H . . . 1 1 46 46 ARG HB3 H . . . . . . . 7.74 . . . . . A . 48 ASN HD22 . . A . 46 ARG HB3 . . . 48 ASN QD2 . . . . . 46 ARG+ QB . . rr_1daq 1 576 4 OR . 1 1 46 46 ARG HB2 H . . . 1 1 48 48 ASN HD22 H . . . . . . . 7.74 . . . . . A . 46 ARG HB2 . . A . 48 ASN HD22 . . . 46 ARG+ QB . . . . . 48 ASN QD2 . . rr_1daq 1 577 1 OR . 1 1 46 46 ARG HG3 H . . . 1 1 47 47 VAL MG1 H . . . . . . . 8.49 . . . . . A . 46 ARG HG3 . . A . 47 VAL MG1 . . . 46 ARG+ QG . . . . . 47 VAL QQG . . rr_1daq 1 577 2 OR . 1 1 47 47 VAL MG2 H . . . 1 1 46 46 ARG HG2 H . . . . . . . 8.49 . . . . . A . 47 VAL MG2 . . A . 46 ARG HG2 . . . 47 VAL QQG . . . . . 46 ARG+ QG . . rr_1daq 1 577 3 OR . 1 1 47 47 VAL MG2 H . . . 1 1 46 46 ARG HG3 H . . . . . . . 8.49 . . . . . A . 47 VAL MG2 . . A . 46 ARG HG3 . . . 47 VAL QQG . . . . . 46 ARG+ QG . . rr_1daq 1 577 4 OR . 1 1 46 46 ARG HG2 H . . . 1 1 47 47 VAL MG1 H . . . . . . . 8.49 . . . . . A . 46 ARG HG2 . . A . 47 VAL MG1 . . . 46 ARG+ QG . . . . . 47 VAL QQG . . rr_1daq 1 578 1 . . 3 2 1 1 CA CA Ca . . . 1 1 46 46 ARG O O . . . . . . . 2.80 . . . . . A . 73 CA CA . . A . 46 ARG O . . . 96 CA CA . . . . . 46 ARG+ O . . rr_1daq 1 579 1 . . 1 1 47 47 VAL HA H . . . 1 1 48 48 ASN H H . . . . . . . 2.83 . . . . . A . 47 VAL HA . . A . 48 ASN H . . . 47 VAL HA . . . . . 48 ASN HN . . rr_1daq 1 580 1 . . 1 1 47 47 VAL HA H . . . 1 1 51 51 ASP H H . . . . . . . 4.99 . . . . . A . 47 VAL HA . . A . 51 ASP H . . . 47 VAL HA . . . . . 51 ASP- HN . . rr_1daq 1 581 1 OR . 1 1 48 48 ASN H H . . . 1 1 47 47 VAL MG1 H . . . . . . . 7.11 . . . . . A . 48 ASN H . . A . 47 VAL MG1 . . . 48 ASN HN . . . . . 47 VAL QQG . . rr_1daq 1 581 2 OR . 1 1 47 47 VAL MG2 H . . . 1 1 48 48 ASN H H . . . . . . . 7.11 . . . . . A . 47 VAL MG2 . . A . 48 ASN H . . . 47 VAL QQG . . . . . 48 ASN HN . . rr_1daq 1 582 1 OR . 1 1 48 48 ASN HA H . . . 1 1 47 47 VAL MG1 H . . . . . . . 8.12 . . . . . A . 48 ASN HA . . A . 47 VAL MG1 . . . 48 ASN HA . . . . . 47 VAL QQG . . rr_1daq 1 582 2 OR . 1 1 47 47 VAL MG2 H . . . 1 1 48 48 ASN HA H . . . . . . . 8.12 . . . . . A . 47 VAL MG2 . . A . 48 ASN HA . . . 47 VAL QQG . . . . . 48 ASN HA . . rr_1daq 1 583 1 OR . 1 1 47 47 VAL MG2 H . . . 1 1 56 56 LYS HB2 H . . . . . . . 7.63 . . . . . A . 47 VAL MG2 . . A . 56 LYS HB2 . . . 47 VAL QQG . . . . . 56 LYS+ QB . . rr_1daq 1 583 2 OR . 1 1 47 47 VAL MG1 H . . . 1 1 56 56 LYS HB2 H . . . . . . . 7.63 . . . . . A . 47 VAL MG1 . . A . 56 LYS HB2 . . . 47 VAL QQG . . . . . 56 LYS+ QB . . rr_1daq 1 583 3 OR . 1 1 56 56 LYS HB3 H . . . 1 1 47 47 VAL MG1 H . . . . . . . 7.63 . . . . . A . 56 LYS HB3 . . A . 47 VAL MG1 . . . 56 LYS+ QB . . . . . 47 VAL QQG . . rr_1daq 1 583 4 OR . 1 1 47 47 VAL MG2 H . . . 1 1 56 56 LYS HB3 H . . . . . . . 7.63 . . . . . A . 47 VAL MG2 . . A . 56 LYS HB3 . . . 47 VAL QQG . . . . . 56 LYS+ QB . . rr_1daq 1 584 1 OR . 1 1 48 48 ASN H H . . . 1 1 48 48 ASN HB2 H . . . . . . . 3.76 . . . . . A . 48 ASN H . . A . 48 ASN HB2 . . . 48 ASN HN . . . . . 48 ASN QB . . rr_1daq 1 584 2 OR . 1 1 48 48 ASN HB3 H . . . 1 1 48 48 ASN H H . . . . . . . 3.76 . . . . . A . 48 ASN HB3 . . A . 48 ASN H . . . 48 ASN QB . . . . . 48 ASN HN . . rr_1daq 1 585 1 . . 1 1 48 48 ASN H H . . . 1 1 50 50 THR HB H . . . . . . . 6.00 . . . . . A . 48 ASN H . . A . 50 THR HB . . . 48 ASN HN . . . . . 50 THR HB . . rr_1daq 1 586 1 . . 1 1 48 48 ASN H H . . . 1 1 51 51 ASP H H . . . . . . . 3.62 . . . . . A . 48 ASN H . . A . 51 ASP H . . . 48 ASN HN . . . . . 51 ASP- HN . . rr_1daq 1 587 1 . . 1 1 48 48 ASN H H . . . 1 1 52 52 LEU H H . . . . . . . 5.78 . . . . . A . 48 ASN H . . A . 52 LEU H . . . 48 ASN HN . . . . . 52 LEU HN . . rr_1daq 1 588 1 . . 1 1 48 48 ASN HA H . . . 1 1 50 50 THR H H . . . . . . . 5.17 . . . . . A . 48 ASN HA . . A . 50 THR H . . . 48 ASN HA . . . . . 50 THR HN . . rr_1daq 1 589 1 OR . 1 1 49 49 SER HA H . . . 1 1 48 48 ASN HD21 H . . . . . . . 6.87 . . . . . A . 49 SER HA . . A . 48 ASN HD21 . . . 49 SER HA . . . . . 48 ASN QD2 . . rr_1daq 1 589 2 OR . 1 1 48 48 ASN HD22 H . . . 1 1 49 49 SER HA H . . . . . . . 6.87 . . . . . A . 48 ASN HD22 . . A . 49 SER HA . . . 48 ASN QD2 . . . . . 49 SER HA . . rr_1daq 1 590 1 OR . 1 1 48 48 ASN HD21 H . . . 1 1 51 51 ASP HB2 H . . . . . . . 7.06 . . . . . A . 48 ASN HD21 . . A . 51 ASP HB2 . . . 48 ASN QD2 . . . . . 51 ASP- QB . . rr_1daq 1 590 2 OR . 1 1 48 48 ASN HD22 H . . . 1 1 51 51 ASP HB2 H . . . . . . . 7.06 . . . . . A . 48 ASN HD22 . . A . 51 ASP HB2 . . . 48 ASN QD2 . . . . . 51 ASP- QB . . rr_1daq 1 590 3 OR . 1 1 51 51 ASP HB3 H . . . 1 1 48 48 ASN HD21 H . . . . . . . 7.06 . . . . . A . 51 ASP HB3 . . A . 48 ASN HD21 . . . 51 ASP- QB . . . . . 48 ASN QD2 . . rr_1daq 1 590 4 OR . 1 1 51 51 ASP HB3 H . . . 1 1 48 48 ASN HD22 H . . . . . . . 7.06 . . . . . A . 51 ASP HB3 . . A . 48 ASN HD22 . . . 51 ASP- QB . . . . . 48 ASN QD2 . . rr_1daq 1 591 1 . . 1 1 50 50 THR HB H . . . 1 1 49 49 SER H H . . . . . . . 4.02 . . . . . A . 50 THR HB . . A . 49 SER H . . . 50 THR HB . . . . . 49 SER HN . . rr_1daq 1 592 1 . . 1 1 50 50 THR H H . . . 1 1 50 50 THR HB H . . . . . . . 3.77 . . . . . A . 50 THR H . . A . 50 THR HB . . . 50 THR HN . . . . . 50 THR HB . . rr_1daq 1 593 1 . . 1 1 50 50 THR H H . . . 1 1 51 51 ASP H H . . . . . . . 3.80 . . . . . A . 50 THR H . . A . 51 ASP H . . . 50 THR HN . . . . . 51 ASP- HN . . rr_1daq 1 594 1 . . 1 1 50 50 THR HA H . . . 1 1 53 53 GLY H H . . . . . . . 4.63 . . . . . A . 50 THR HA . . A . 53 GLY H . . . 50 THR HA . . . . . 53 GLY HN . . rr_1daq 1 595 1 . . 1 1 51 51 ASP H H . . . 1 1 50 50 THR HB H . . . . . . . 3.91 . . . . . A . 51 ASP H . . A . 50 THR HB . . . 51 ASP- HN . . . . . 50 THR HB . . rr_1daq 1 596 1 . . 1 1 50 50 THR MG H . . . 1 1 51 51 ASP H H . . . . . . . 5.98 . . . . . A . 50 THR MG . . A . 51 ASP H . . . 50 THR QG2 . . . . . 51 ASP- HN . . rr_1daq 1 597 1 . . 1 1 51 51 ASP H H . . . 1 1 51 51 ASP HB2 H . . . . . . . 3.62 . . . . . A . 51 ASP H . . A . 51 ASP HB2 . . . 51 ASP- HN . . . . . 51 ASP- HB2 . . rr_1daq 1 598 1 . . 1 1 51 51 ASP HB3 H . . . 1 1 51 51 ASP H H . . . . . . . 3.62 . . . . . A . 51 ASP HB3 . . A . 51 ASP H . . . 51 ASP- HB3 . . . . . 51 ASP- HN . . rr_1daq 1 599 1 OR . 1 1 51 51 ASP H H . . . 1 1 51 51 ASP HB2 H . . . . . . . 3.28 . . . . . A . 51 ASP H . . A . 51 ASP HB2 . . . 51 ASP- HN . . . . . 51 ASP- QB . . rr_1daq 1 599 2 OR . 1 1 51 51 ASP HB3 H . . . 1 1 51 51 ASP H H . . . . . . . 3.28 . . . . . A . 51 ASP HB3 . . A . 51 ASP H . . . 51 ASP- QB . . . . . 51 ASP- HN . . rr_1daq 1 600 1 . . 1 1 51 51 ASP H H . . . 1 1 52 52 LEU H H . . . . . . . 3.19 . . . . . A . 51 ASP H . . A . 52 LEU H . . . 51 ASP- HN . . . . . 52 LEU HN . . rr_1daq 1 601 1 OR . 1 1 51 51 ASP H H . . . 1 1 52 52 LEU HB3 H . . . . . . . 5.90 . . . . . A . 51 ASP H . . A . 52 LEU HB3 . . . 51 ASP- HN . . . . . 52 LEU QB . . rr_1daq 1 601 2 OR . 1 1 51 51 ASP H H . . . 1 1 52 52 LEU HB2 H . . . . . . . 5.90 . . . . . A . 51 ASP H . . A . 52 LEU HB2 . . . 51 ASP- HN . . . . . 52 LEU QB . . rr_1daq 1 602 1 OR . 1 1 51 51 ASP H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 8.35 . . . . . A . 51 ASP H . . A . 55 LEU MD2 . . . 51 ASP- HN . . . . . 55 LEU QQD . . rr_1daq 1 602 2 OR . 1 1 55 55 LEU MD1 H . . . 1 1 51 51 ASP H H . . . . . . . 8.35 . . . . . A . 55 LEU MD1 . . A . 51 ASP H . . . 55 LEU QQD . . . . . 51 ASP- HN . . rr_1daq 1 603 1 . . 1 1 51 51 ASP HA H . . . 1 1 54 54 ILE H H . . . . . . . 4.34 . . . . . A . 51 ASP HA . . A . 54 ILE H . . . 51 ASP- HA . . . . . 54 ILE HN . . rr_1daq 1 604 1 . . 1 1 51 51 ASP HA H . . . 1 1 54 54 ILE HB H . . . . . . . 3.73 . . . . . A . 51 ASP HA . . A . 54 ILE HB . . . 51 ASP- HA . . . . . 54 ILE HB . . rr_1daq 1 605 1 . . 1 1 51 51 ASP HA H . . . 1 1 54 54 ILE MG H . . . . . . . 7.03 . . . . . A . 51 ASP HA . . A . 54 ILE MG . . . 51 ASP- HA . . . . . 54 ILE QG2 . . rr_1daq 1 606 1 . . 1 1 52 52 LEU H H . . . 1 1 51 51 ASP HB2 H . . . . . . . 3.98 . . . . . A . 52 LEU H . . A . 51 ASP HB2 . . . 52 LEU HN . . . . . 51 ASP- HB2 . . rr_1daq 1 607 1 . . 1 1 51 51 ASP HB3 H . . . 1 1 52 52 LEU H H . . . . . . . 3.98 . . . . . A . 51 ASP HB3 . . A . 52 LEU H . . . 51 ASP- HB3 . . . . . 52 LEU HN . . rr_1daq 1 608 1 OR . 1 1 52 52 LEU H H . . . 1 1 51 51 ASP HB2 H . . . . . . . 3.59 . . . . . A . 52 LEU H . . A . 51 ASP HB2 . . . 52 LEU HN . . . . . 51 ASP- QB . . rr_1daq 1 608 2 OR . 1 1 51 51 ASP HB3 H . . . 1 1 52 52 LEU H H . . . . . . . 3.59 . . . . . A . 51 ASP HB3 . . A . 52 LEU H . . . 51 ASP- QB . . . . . 52 LEU HN . . rr_1daq 1 609 1 OR . 1 1 51 51 ASP HB2 H . . . 1 1 52 52 LEU MD2 H . . . . . . . 9.47 . . . . . A . 51 ASP HB2 . . A . 52 LEU MD2 . . . 51 ASP- QB . . . . . 52 LEU QQD . . rr_1daq 1 609 2 OR . 1 1 51 51 ASP HB3 H . . . 1 1 52 52 LEU MD2 H . . . . . . . 9.47 . . . . . A . 51 ASP HB3 . . A . 52 LEU MD2 . . . 51 ASP- QB . . . . . 52 LEU QQD . . rr_1daq 1 609 3 OR . 1 1 52 52 LEU MD1 H . . . 1 1 51 51 ASP HB2 H . . . . . . . 9.47 . . . . . A . 52 LEU MD1 . . A . 51 ASP HB2 . . . 52 LEU QQD . . . . . 51 ASP- QB . . rr_1daq 1 609 4 OR . 1 1 51 51 ASP HB3 H . . . 1 1 52 52 LEU MD1 H . . . . . . . 9.47 . . . . . A . 51 ASP HB3 . . A . 52 LEU MD1 . . . 51 ASP- QB . . . . . 52 LEU QQD . . rr_1daq 1 610 1 OR . 1 1 51 51 ASP HB3 H . . . 1 1 55 55 LEU MD2 H . . . . . . . 8.36 . . . . . A . 51 ASP HB3 . . A . 55 LEU MD2 . . . 51 ASP- QB . . . . . 55 LEU QQD . . rr_1daq 1 610 2 OR . 1 1 51 51 ASP HB2 H . . . 1 1 55 55 LEU MD2 H . . . . . . . 8.36 . . . . . A . 51 ASP HB2 . . A . 55 LEU MD2 . . . 51 ASP- QB . . . . . 55 LEU QQD . . rr_1daq 1 610 3 OR . 1 1 55 55 LEU MD1 H . . . 1 1 51 51 ASP HB2 H . . . . . . . 8.36 . . . . . A . 55 LEU MD1 . . A . 51 ASP HB2 . . . 55 LEU QQD . . . . . 51 ASP- QB . . rr_1daq 1 610 4 OR . 1 1 51 51 ASP HB3 H . . . 1 1 55 55 LEU MD1 H . . . . . . . 8.36 . . . . . A . 51 ASP HB3 . . A . 55 LEU MD1 . . . 51 ASP- QB . . . . . 55 LEU QQD . . rr_1daq 1 611 1 . . 3 2 1 1 CA CA Ca . . . 1 1 51 51 ASP OD1 O . . . . . . . 2.80 . . . . . A . 73 CA CA . . A . 51 ASP OD1 . . . 96 CA CA . . . . . 51 ASP- OD1 . . rr_1daq 1 612 1 . . 3 2 1 1 CA CA Ca . . . 1 1 51 51 ASP OD2 O . . . . . . . 2.80 . . . . . A . 73 CA CA . . A . 51 ASP OD2 . . . 96 CA CA . . . . . 51 ASP- OD2 . . rr_1daq 1 613 1 . . 1 1 52 52 LEU H H . . . 1 1 52 52 LEU HB2 H . . . . . . . 4.02 . . . . . A . 52 LEU H . . A . 52 LEU HB2 . . . 52 LEU HN . . . . . 52 LEU HB2 . . rr_1daq 1 614 1 . . 1 1 52 52 LEU H H . . . 1 1 52 52 LEU HB3 H . . . . . . . 4.02 . . . . . A . 52 LEU H . . A . 52 LEU HB3 . . . 52 LEU HN . . . . . 52 LEU HB3 . . rr_1daq 1 615 1 OR . 1 1 52 52 LEU H H . . . 1 1 52 52 LEU HB3 H . . . . . . . 3.40 . . . . . A . 52 LEU H . . A . 52 LEU HB3 . . . 52 LEU HN . . . . . 52 LEU QB . . rr_1daq 1 615 2 OR . 1 1 52 52 LEU H H . . . 1 1 52 52 LEU HB2 H . . . . . . . 3.40 . . . . . A . 52 LEU H . . A . 52 LEU HB2 . . . 52 LEU HN . . . . . 52 LEU QB . . rr_1daq 1 616 1 . . 1 1 52 52 LEU HG H . . . 1 1 52 52 LEU H H . . . . . . . 3.55 . . . . . A . 52 LEU HG . . A . 52 LEU H . . . 52 LEU HG . . . . . 52 LEU HN . . rr_1daq 1 617 1 OR . 1 1 52 52 LEU H H . . . 1 1 52 52 LEU MD2 H . . . . . . . 7.91 . . . . . A . 52 LEU H . . A . 52 LEU MD2 . . . 52 LEU HN . . . . . 52 LEU QQD . . rr_1daq 1 617 2 OR . 1 1 52 52 LEU H H . . . 1 1 52 52 LEU MD1 H . . . . . . . 7.91 . . . . . A . 52 LEU H . . A . 52 LEU MD1 . . . 52 LEU HN . . . . . 52 LEU QQD . . rr_1daq 1 618 1 . . 1 1 52 52 LEU H H . . . 1 1 53 53 GLY H H . . . . . . . 3.19 . . . . . A . 52 LEU H . . A . 53 GLY H . . . 52 LEU HN . . . . . 53 GLY HN . . rr_1daq 1 619 1 OR . 1 1 52 52 LEU H H . . . 1 1 54 54 ILE HG12 H . . . . . . . 5.98 . . . . . A . 52 LEU H . . A . 54 ILE HG12 . . . 52 LEU HN . . . . . 54 ILE QG1 . . rr_1daq 1 619 2 OR . 1 1 52 52 LEU H H . . . 1 1 54 54 ILE HG13 H . . . . . . . 5.98 . . . . . A . 52 LEU H . . A . 54 ILE HG13 . . . 52 LEU HN . . . . . 54 ILE QG1 . . rr_1daq 1 620 1 OR . 1 1 52 52 LEU H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 7.01 . . . . . A . 52 LEU H . . A . 55 LEU MD2 . . . 52 LEU HN . . . . . 55 LEU QQD . . rr_1daq 1 620 2 OR . 1 1 55 55 LEU MD1 H . . . 1 1 52 52 LEU H H . . . . . . . 7.01 . . . . . A . 55 LEU MD1 . . A . 52 LEU H . . . 55 LEU QQD . . . . . 52 LEU HN . . rr_1daq 1 621 1 . . 1 1 52 52 LEU HG H . . . 1 1 52 52 LEU HA H . . . . . . . 4.16 . . . . . A . 52 LEU HG . . A . 52 LEU HA . . . 52 LEU HG . . . . . 52 LEU HA . . rr_1daq 1 622 1 . . 1 1 52 52 LEU MD1 H . . . 1 1 52 52 LEU HA H . . . . . . . 6.52 . . . . . A . 52 LEU MD1 . . A . 52 LEU HA . . . 52 LEU QD1 . . . . . 52 LEU HA . . rr_1daq 1 623 1 . . 1 1 52 52 LEU HA H . . . 1 1 52 52 LEU MD2 H . . . . . . . 6.52 . . . . . A . 52 LEU HA . . A . 52 LEU MD2 . . . 52 LEU HA . . . . . 52 LEU QD2 . . rr_1daq 1 624 1 . . 1 1 52 52 LEU HA H . . . 1 1 55 55 LEU H H . . . . . . . 3.84 . . . . . A . 52 LEU HA . . A . 55 LEU H . . . 52 LEU HA . . . . . 55 LEU HN . . rr_1daq 1 625 1 OR . 1 1 52 52 LEU HA H . . . 1 1 55 55 LEU HB2 H . . . . . . . 5.26 . . . . . A . 52 LEU HA . . A . 55 LEU HB2 . . . 52 LEU HA . . . . . 55 LEU QB . . rr_1daq 1 625 2 OR . 1 1 55 55 LEU HB3 H . . . 1 1 52 52 LEU HA H . . . . . . . 5.26 . . . . . A . 55 LEU HB3 . . A . 52 LEU HA . . . 55 LEU QB . . . . . 52 LEU HA . . rr_1daq 1 626 1 . . 1 1 56 56 LYS H H . . . 1 1 52 52 LEU HA H . . . . . . . 4.85 . . . . . A . 56 LYS H . . A . 52 LEU HA . . . 56 LYS+ HN . . . . . 52 LEU HA . . rr_1daq 1 627 1 . . 1 1 53 53 GLY H H . . . 1 1 52 52 LEU HB2 H . . . . . . . 4.09 . . . . . A . 53 GLY H . . A . 52 LEU HB2 . . . 53 GLY HN . . . . . 52 LEU HB2 . . rr_1daq 1 628 1 . . 1 1 53 53 GLY H H . . . 1 1 52 52 LEU HB3 H . . . . . . . 4.09 . . . . . A . 53 GLY H . . A . 52 LEU HB3 . . . 53 GLY HN . . . . . 52 LEU HB3 . . rr_1daq 1 629 1 OR . 1 1 53 53 GLY H H . . . 1 1 52 52 LEU HB3 H . . . . . . . 3.58 . . . . . A . 53 GLY H . . A . 52 LEU HB3 . . . 53 GLY HN . . . . . 52 LEU QB . . rr_1daq 1 629 2 OR . 1 1 53 53 GLY H H . . . 1 1 52 52 LEU HB2 H . . . . . . . 3.58 . . . . . A . 53 GLY H . . A . 52 LEU HB2 . . . 53 GLY HN . . . . . 52 LEU QB . . rr_1daq 1 630 1 . . 1 1 52 52 LEU HG H . . . 1 1 53 53 GLY H H . . . . . . . 4.63 . . . . . A . 52 LEU HG . . A . 53 GLY H . . . 52 LEU HG . . . . . 53 GLY HN . . rr_1daq 1 631 1 . . 1 1 53 53 GLY H H . . . 1 1 52 52 LEU MD1 H . . . . . . . 7.03 . . . . . A . 53 GLY H . . A . 52 LEU MD1 . . . 53 GLY HN . . . . . 52 LEU QD1 . . rr_1daq 1 632 1 . . 1 1 53 53 GLY H H . . . 1 1 52 52 LEU MD2 H . . . . . . . 7.03 . . . . . A . 53 GLY H . . A . 52 LEU MD2 . . . 53 GLY HN . . . . . 52 LEU QD2 . . rr_1daq 1 633 1 OR . 1 1 52 52 LEU MD1 H . . . 1 1 55 55 LEU HB2 H . . . . . . . 9.47 . . . . . A . 52 LEU MD1 . . A . 55 LEU HB2 . . . 52 LEU QQD . . . . . 55 LEU QB . . rr_1daq 1 633 2 OR . 1 1 52 52 LEU MD2 H . . . 1 1 55 55 LEU HB2 H . . . . . . . 9.47 . . . . . A . 52 LEU MD2 . . A . 55 LEU HB2 . . . 52 LEU QQD . . . . . 55 LEU QB . . rr_1daq 1 633 3 OR . 1 1 55 55 LEU HB3 H . . . 1 1 52 52 LEU MD2 H . . . . . . . 9.47 . . . . . A . 55 LEU HB3 . . A . 52 LEU MD2 . . . 55 LEU QB . . . . . 52 LEU QQD . . rr_1daq 1 633 4 OR . 1 1 55 55 LEU HB3 H . . . 1 1 52 52 LEU MD1 H . . . . . . . 9.47 . . . . . A . 55 LEU HB3 . . A . 52 LEU MD1 . . . 55 LEU QB . . . . . 52 LEU QQD . . rr_1daq 1 634 1 OR . 1 1 56 56 LYS H H . . . 1 1 52 52 LEU MD2 H . . . . . . . 8.60 . . . . . A . 56 LYS H . . A . 52 LEU MD2 . . . 56 LYS+ HN . . . . . 52 LEU QQD . . rr_1daq 1 634 2 OR . 1 1 56 56 LYS H H . . . 1 1 52 52 LEU MD1 H . . . . . . . 8.60 . . . . . A . 56 LYS H . . A . 52 LEU MD1 . . . 56 LYS+ HN . . . . . 52 LEU QQD . . rr_1daq 1 635 1 OR . 1 1 52 52 LEU MD1 H . . . 1 1 56 56 LYS HG2 H . . . . . . . 9.01 . . . . . A . 52 LEU MD1 . . A . 56 LYS HG2 . . . 52 LEU QQD . . . . . 56 LYS+ QG . . rr_1daq 1 635 2 OR . 1 1 52 52 LEU MD2 H . . . 1 1 56 56 LYS HG2 H . . . . . . . 9.01 . . . . . A . 52 LEU MD2 . . A . 56 LYS HG2 . . . 52 LEU QQD . . . . . 56 LYS+ QG . . rr_1daq 1 635 3 OR . 1 1 56 56 LYS HG3 H . . . 1 1 52 52 LEU MD2 H . . . . . . . 9.01 . . . . . A . 56 LYS HG3 . . A . 52 LEU MD2 . . . 56 LYS+ QG . . . . . 52 LEU QQD . . rr_1daq 1 635 4 OR . 1 1 52 52 LEU MD1 H . . . 1 1 56 56 LYS HG3 H . . . . . . . 9.01 . . . . . A . 52 LEU MD1 . . A . 56 LYS HG3 . . . 52 LEU QQD . . . . . 56 LYS+ QG . . rr_1daq 1 636 1 . . 1 1 53 53 GLY H H . . . 1 1 54 54 ILE H H . . . . . . . 3.48 . . . . . A . 53 GLY H . . A . 54 ILE H . . . 53 GLY HN . . . . . 54 ILE HN . . rr_1daq 1 637 1 OR . 1 1 53 53 GLY H H . . . 1 1 54 54 ILE HG12 H . . . . . . . 6.88 . . . . . A . 53 GLY H . . A . 54 ILE HG12 . . . 53 GLY HN . . . . . 54 ILE QG1 . . rr_1daq 1 637 2 OR . 1 1 53 53 GLY H H . . . 1 1 54 54 ILE HG13 H . . . . . . . 6.88 . . . . . A . 53 GLY H . . A . 54 ILE HG13 . . . 53 GLY HN . . . . . 54 ILE QG1 . . rr_1daq 1 638 1 OR . 1 1 53 53 GLY H H . . . 1 1 56 56 LYS HB2 H . . . . . . . 6.12 . . . . . A . 53 GLY H . . A . 56 LYS HB2 . . . 53 GLY HN . . . . . 56 LYS+ QB . . rr_1daq 1 638 2 OR . 1 1 56 56 LYS HB3 H . . . 1 1 53 53 GLY H H . . . . . . . 6.12 . . . . . A . 56 LYS HB3 . . A . 53 GLY H . . . 56 LYS+ QB . . . . . 53 GLY HN . . rr_1daq 1 639 1 OR . 1 1 53 53 GLY HA3 H . . . 1 1 55 55 LEU MD2 H . . . . . . . 6.85 . . . . . A . 53 GLY HA3 . . A . 55 LEU MD2 . . . 53 GLY QA . . . . . 55 LEU QQD . . rr_1daq 1 639 2 OR . 1 1 53 53 GLY HA2 H . . . 1 1 55 55 LEU MD2 H . . . . . . . 6.85 . . . . . A . 53 GLY HA2 . . A . 55 LEU MD2 . . . 53 GLY QA . . . . . 55 LEU QQD . . rr_1daq 1 639 3 OR . 1 1 55 55 LEU MD1 H . . . 1 1 53 53 GLY HA2 H . . . . . . . 6.85 . . . . . A . 55 LEU MD1 . . A . 53 GLY HA2 . . . 55 LEU QQD . . . . . 53 GLY QA . . rr_1daq 1 639 4 OR . 1 1 55 55 LEU MD1 H . . . 1 1 53 53 GLY HA3 H . . . . . . . 6.85 . . . . . A . 55 LEU MD1 . . A . 53 GLY HA3 . . . 55 LEU QQD . . . . . 53 GLY QA . . rr_1daq 1 640 1 OR . 1 1 56 56 LYS H H . . . 1 1 53 53 GLY HA2 H . . . . . . . 5.83 . . . . . A . 56 LYS H . . A . 53 GLY HA2 . . . 56 LYS+ HN . . . . . 53 GLY QA . . rr_1daq 1 640 2 OR . 1 1 56 56 LYS H H . . . 1 1 53 53 GLY HA3 H . . . . . . . 5.83 . . . . . A . 56 LYS H . . A . 53 GLY HA3 . . . 56 LYS+ HN . . . . . 53 GLY QA . . rr_1daq 1 641 1 OR . 1 1 53 53 GLY HA3 H . . . 1 1 56 56 LYS HB2 H . . . . . . . 6.35 . . . . . A . 53 GLY HA3 . . A . 56 LYS HB2 . . . 53 GLY QA . . . . . 56 LYS+ QB . . rr_1daq 1 641 2 OR . 1 1 53 53 GLY HA2 H . . . 1 1 56 56 LYS HB2 H . . . . . . . 6.35 . . . . . A . 53 GLY HA2 . . A . 56 LYS HB2 . . . 53 GLY QA . . . . . 56 LYS+ QB . . rr_1daq 1 641 3 OR . 1 1 56 56 LYS HB3 H . . . 1 1 53 53 GLY HA2 H . . . . . . . 6.35 . . . . . A . 56 LYS HB3 . . A . 53 GLY HA2 . . . 56 LYS+ QB . . . . . 53 GLY QA . . rr_1daq 1 641 4 OR . 1 1 56 56 LYS HB3 H . . . 1 1 53 53 GLY HA3 H . . . . . . . 6.35 . . . . . A . 56 LYS HB3 . . A . 53 GLY HA3 . . . 56 LYS+ QB . . . . . 53 GLY QA . . rr_1daq 1 642 1 OR . 1 1 53 53 GLY HA2 H . . . 1 1 57 57 ARG HG2 H . . . . . . . 7.75 . . . . . A . 53 GLY HA2 . . A . 57 ARG HG2 . . . 53 GLY QA . . . . . 57 ARG+ QG . . rr_1daq 1 642 2 OR . 1 1 53 53 GLY HA3 H . . . 1 1 57 57 ARG HG2 H . . . . . . . 7.75 . . . . . A . 53 GLY HA3 . . A . 57 ARG HG2 . . . 53 GLY QA . . . . . 57 ARG+ QG . . rr_1daq 1 642 3 OR . 1 1 57 57 ARG HG3 H . . . 1 1 53 53 GLY HA2 H . . . . . . . 7.75 . . . . . A . 57 ARG HG3 . . A . 53 GLY HA2 . . . 57 ARG+ QG . . . . . 53 GLY QA . . rr_1daq 1 642 4 OR . 1 1 53 53 GLY HA3 H . . . 1 1 57 57 ARG HG3 H . . . . . . . 7.75 . . . . . A . 53 GLY HA3 . . A . 57 ARG HG3 . . . 53 GLY QA . . . . . 57 ARG+ QG . . rr_1daq 1 643 1 . . 1 1 54 54 ILE H H . . . 1 1 54 54 ILE HB H . . . . . . . 2.80 . . . . . A . 54 ILE H . . A . 54 ILE HB . . . 54 ILE HN . . . . . 54 ILE HB . . rr_1daq 1 644 1 . . 1 1 54 54 ILE H H . . . 1 1 54 54 ILE MD H . . . . . . . 5.34 . . . . . A . 54 ILE H . . A . 54 ILE MD . . . 54 ILE HN . . . . . 54 ILE QD1 . . rr_1daq 1 645 1 . . 1 1 54 54 ILE H H . . . 1 1 55 55 LEU H H . . . . . . . 3.37 . . . . . A . 54 ILE H . . A . 55 LEU H . . . 54 ILE HN . . . . . 55 LEU HN . . rr_1daq 1 646 1 OR . 1 1 54 54 ILE H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 7.52 . . . . . A . 54 ILE H . . A . 55 LEU MD2 . . . 54 ILE HN . . . . . 55 LEU QQD . . rr_1daq 1 646 2 OR . 1 1 55 55 LEU MD1 H . . . 1 1 54 54 ILE H H . . . . . . . 7.52 . . . . . A . 55 LEU MD1 . . A . 54 ILE H . . . 55 LEU QQD . . . . . 54 ILE HN . . rr_1daq 1 647 1 . . 1 1 57 57 ARG H H . . . 1 1 54 54 ILE HA H . . . . . . . 3.91 . . . . . A . 57 ARG H . . A . 54 ILE HA . . . 57 ARG+ HN . . . . . 54 ILE HA . . rr_1daq 1 648 1 OR . 1 1 54 54 ILE HA H . . . 1 1 57 57 ARG HB3 H . . . . . . . 5.94 . . . . . A . 54 ILE HA . . A . 57 ARG HB3 . . . 54 ILE HA . . . . . 57 ARG+ QB . . rr_1daq 1 648 2 OR . 1 1 54 54 ILE HA H . . . 1 1 57 57 ARG HB2 H . . . . . . . 5.94 . . . . . A . 54 ILE HA . . A . 57 ARG HB2 . . . 54 ILE HA . . . . . 57 ARG+ QB . . rr_1daq 1 649 1 . . 1 1 54 54 ILE HA H . . . 1 1 57 57 ARG HG2 H . . . . . . . 6.00 . . . . . A . 54 ILE HA . . A . 57 ARG HG2 . . . 54 ILE HA . . . . . 57 ARG+ HG2 . . rr_1daq 1 650 1 . . 1 1 57 57 ARG HG3 H . . . 1 1 54 54 ILE HA H . . . . . . . 6.00 . . . . . A . 57 ARG HG3 . . A . 54 ILE HA . . . 57 ARG+ HG3 . . . . . 54 ILE HA . . rr_1daq 1 651 1 . . 1 1 54 54 ILE HA H . . . 1 1 58 58 TYR H H . . . . . . . 4.45 . . . . . A . 54 ILE HA . . A . 58 TYR H . . . 54 ILE HA . . . . . 58 TYR HN . . rr_1daq 1 652 1 . . 1 1 54 54 ILE HA H . . . 1 1 58 58 TYR QD H . . . . . . . 8.14 . . . . . A . 54 ILE HA . . A . 58 TYR QD . . . 54 ILE HA . . . . . 58 TYR QD . . rr_1daq 1 653 1 . . 1 1 54 54 ILE HA H . . . 1 1 59 59 ILE MG H . . . . . . . 7.03 . . . . . A . 54 ILE HA . . A . 59 ILE MG . . . 54 ILE HA . . . . . 59 ILE QG2 . . rr_1daq 1 654 1 . . 1 1 66 66 LEU HG H . . . 1 1 54 54 ILE HA H . . . . . . . 5.89 . . . . . A . 66 LEU HG . . A . 54 ILE HA . . . 66 LEU HG . . . . . 54 ILE HA . . rr_1daq 1 655 1 . . 1 1 54 54 ILE HB H . . . 1 1 55 55 LEU H H . . . . . . . 3.05 . . . . . A . 54 ILE HB . . A . 55 LEU H . . . 54 ILE HB . . . . . 55 LEU HN . . rr_1daq 1 656 1 . . 1 1 54 54 ILE MG H . . . 1 1 55 55 LEU H H . . . . . . . 6.02 . . . . . A . 54 ILE MG . . A . 55 LEU H . . . 54 ILE QG2 . . . . . 55 LEU HN . . rr_1daq 1 657 1 . . 1 1 54 54 ILE MG H . . . 1 1 55 55 LEU HA H . . . . . . . 6.99 . . . . . A . 54 ILE MG . . A . 55 LEU HA . . . 54 ILE QG2 . . . . . 55 LEU HA . . rr_1daq 1 658 1 . . 1 1 56 56 LYS H H . . . 1 1 54 54 ILE MG H . . . . . . . 7.03 . . . . . A . 56 LYS H . . A . 54 ILE MG . . . 56 LYS+ HN . . . . . 54 ILE QG2 . . rr_1daq 1 659 1 . . 1 1 57 57 ARG H H . . . 1 1 54 54 ILE MG H . . . . . . . 7.03 . . . . . A . 57 ARG H . . A . 54 ILE MG . . . 57 ARG+ HN . . . . . 54 ILE QG2 . . rr_1daq 1 660 1 OR . 1 1 54 54 ILE MG H . . . 1 1 58 58 TYR HB3 H . . . . . . . 7.90 . . . . . A . 54 ILE MG . . A . 58 TYR HB3 . . . 54 ILE QG2 . . . . . 58 TYR QB . . rr_1daq 1 660 2 OR . 1 1 54 54 ILE MG H . . . 1 1 58 58 TYR HB2 H . . . . . . . 7.90 . . . . . A . 54 ILE MG . . A . 58 TYR HB2 . . . 54 ILE QG2 . . . . . 58 TYR QB . . rr_1daq 1 661 1 . . 1 1 54 54 ILE MG H . . . 1 1 68 68 TYR HB2 H . . . . . . . 6.38 . . . . . A . 54 ILE MG . . A . 68 TYR HB2 . . . 54 ILE QG2 . . . . . 68 TYR HB2 . . rr_1daq 1 662 1 . . 1 1 54 54 ILE MG H . . . 1 1 68 68 TYR HB3 H . . . . . . . 6.38 . . . . . A . 54 ILE MG . . A . 68 TYR HB3 . . . 54 ILE QG2 . . . . . 68 TYR HB3 . . rr_1daq 1 663 1 . . 1 1 54 54 ILE MG H . . . 1 1 68 68 TYR QD H . . . . . . . 9.17 . . . . . A . 54 ILE MG . . A . 68 TYR QD . . . 54 ILE QG2 . . . . . 68 TYR QD . . rr_1daq 1 664 1 OR . 1 1 58 58 TYR H H . . . 1 1 54 54 ILE HG12 H . . . . . . . 6.88 . . . . . A . 58 TYR H . . A . 54 ILE HG12 . . . 58 TYR HN . . . . . 54 ILE QG1 . . rr_1daq 1 664 2 OR . 1 1 54 54 ILE HG13 H . . . 1 1 58 58 TYR H H . . . . . . . 6.88 . . . . . A . 54 ILE HG13 . . A . 58 TYR H . . . 54 ILE QG1 . . . . . 58 TYR HN . . rr_1daq 1 665 1 OR . 1 1 58 58 TYR QE H . . . 1 1 54 54 ILE HG12 H . . . . . . . 9.01 . . . . . A . 58 TYR QE . . A . 54 ILE HG12 . . . 58 TYR QE . . . . . 54 ILE QG1 . . rr_1daq 1 665 2 OR . 1 1 58 58 TYR QE H . . . 1 1 54 54 ILE HG13 H . . . . . . . 9.01 . . . . . A . 58 TYR QE . . A . 54 ILE HG13 . . . 58 TYR QE . . . . . 54 ILE QG1 . . rr_1daq 1 666 1 . . 1 1 54 54 ILE MD H . . . 1 1 58 58 TYR H H . . . . . . . 6.96 . . . . . A . 54 ILE MD . . A . 58 TYR H . . . 54 ILE QD1 . . . . . 58 TYR HN . . rr_1daq 1 667 1 . . 1 1 54 54 ILE MD H . . . 1 1 58 58 TYR QD H . . . . . . . 9.17 . . . . . A . 54 ILE MD . . A . 58 TYR QD . . . 54 ILE QD1 . . . . . 58 TYR QD . . rr_1daq 1 668 1 . . 1 1 58 58 TYR QE H . . . 1 1 54 54 ILE MD H . . . . . . . 9.16 . . . . . A . 58 TYR QE . . A . 54 ILE MD . . . 58 TYR QE . . . . . 54 ILE QD1 . . rr_1daq 1 669 1 . . 1 1 54 54 ILE MD H . . . 1 1 68 68 TYR H H . . . . . . . 7.03 . . . . . A . 54 ILE MD . . A . 68 TYR H . . . 54 ILE QD1 . . . . . 68 TYR HN . . rr_1daq 1 670 1 . . 1 1 54 54 ILE MD H . . . 1 1 68 68 TYR QD H . . . . . . . 9.17 . . . . . A . 54 ILE MD . . A . 68 TYR QD . . . 54 ILE QD1 . . . . . 68 TYR QD . . rr_1daq 1 671 1 . . 1 1 68 68 TYR QE H . . . 1 1 54 54 ILE MD H . . . . . . . 9.16 . . . . . A . 68 TYR QE . . A . 54 ILE MD . . . 68 TYR QE . . . . . 54 ILE QD1 . . rr_1daq 1 672 1 . . 1 1 55 55 LEU HG H . . . 1 1 55 55 LEU H H . . . . . . . 5.78 . . . . . A . 55 LEU HG . . A . 55 LEU H . . . 55 LEU HG . . . . . 55 LEU HN . . rr_1daq 1 673 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 55 55 LEU H H . . . . . . . 4.98 . . . . . A . 55 LEU MD1 . . A . 55 LEU H . . . 55 LEU QD1 . . . . . 55 LEU HN . . rr_1daq 1 674 1 . . 1 1 55 55 LEU H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 4.98 . . . . . A . 55 LEU H . . A . 55 LEU MD2 . . . 55 LEU HN . . . . . 55 LEU QD2 . . rr_1daq 1 675 1 OR . 1 1 55 55 LEU H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 4.63 . . . . . A . 55 LEU H . . A . 55 LEU MD2 . . . 55 LEU HN . . . . . 55 LEU QQD . . rr_1daq 1 675 2 OR . 1 1 55 55 LEU MD1 H . . . 1 1 55 55 LEU H H . . . . . . . 4.63 . . . . . A . 55 LEU MD1 . . A . 55 LEU H . . . 55 LEU QQD . . . . . 55 LEU HN . . rr_1daq 1 676 1 . . 1 1 55 55 LEU HG H . . . 1 1 55 55 LEU HA H . . . . . . . 4.24 . . . . . A . 55 LEU HG . . A . 55 LEU HA . . . 55 LEU HG . . . . . 55 LEU HA . . rr_1daq 1 677 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 55 55 LEU HA H . . . . . . . 6.45 . . . . . A . 55 LEU MD1 . . A . 55 LEU HA . . . 55 LEU QD1 . . . . . 55 LEU HA . . rr_1daq 1 678 1 . . 1 1 55 55 LEU HA H . . . 1 1 55 55 LEU MD2 H . . . . . . . 6.45 . . . . . A . 55 LEU HA . . A . 55 LEU MD2 . . . 55 LEU HA . . . . . 55 LEU QD2 . . rr_1daq 1 679 1 . . 1 1 58 58 TYR H H . . . 1 1 55 55 LEU HA H . . . . . . . 3.41 . . . . . A . 58 TYR H . . A . 55 LEU HA . . . 58 TYR HN . . . . . 55 LEU HA . . rr_1daq 1 680 1 OR . 1 1 55 55 LEU HA H . . . 1 1 58 58 TYR HB3 H . . . . . . . 5.22 . . . . . A . 55 LEU HA . . A . 58 TYR HB3 . . . 55 LEU HA . . . . . 58 TYR QB . . rr_1daq 1 680 2 OR . 1 1 55 55 LEU HA H . . . 1 1 58 58 TYR HB2 H . . . . . . . 5.22 . . . . . A . 55 LEU HA . . A . 58 TYR HB2 . . . 55 LEU HA . . . . . 58 TYR QB . . rr_1daq 1 681 1 . . 1 1 66 66 LEU HG H . . . 1 1 55 55 LEU HA H . . . . . . . 6.00 . . . . . A . 66 LEU HG . . A . 55 LEU HA . . . 66 LEU HG . . . . . 55 LEU HA . . rr_1daq 1 682 1 . . 1 1 66 66 LEU MD1 H . . . 1 1 55 55 LEU HA H . . . . . . . 7.03 . . . . . A . 66 LEU MD1 . . A . 55 LEU HA . . . 66 LEU QD1 . . . . . 55 LEU HA . . rr_1daq 1 683 1 . . 1 1 55 55 LEU HA H . . . 1 1 66 66 LEU MD2 H . . . . . . . 7.03 . . . . . A . 55 LEU HA . . A . 66 LEU MD2 . . . 55 LEU HA . . . . . 66 LEU QD2 . . rr_1daq 1 684 1 OR . 1 1 56 56 LYS H H . . . 1 1 55 55 LEU HB2 H . . . . . . . 4.36 . . . . . A . 56 LYS H . . A . 55 LEU HB2 . . . 56 LYS+ HN . . . . . 55 LEU QB . . rr_1daq 1 684 2 OR . 1 1 55 55 LEU HB3 H . . . 1 1 56 56 LYS H H . . . . . . . 4.36 . . . . . A . 55 LEU HB3 . . A . 56 LYS H . . . 55 LEU QB . . . . . 56 LYS+ HN . . rr_1daq 1 685 1 . . 1 1 56 56 LYS H H . . . 1 1 55 55 LEU MD1 H . . . . . . . 6.49 . . . . . A . 56 LYS H . . A . 55 LEU MD1 . . . 56 LYS+ HN . . . . . 55 LEU QD1 . . rr_1daq 1 686 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 58 58 TYR H H . . . . . . . 7.03 . . . . . A . 55 LEU MD1 . . A . 58 TYR H . . . 55 LEU QD1 . . . . . 58 TYR HN . . rr_1daq 1 687 1 . . 1 1 55 55 LEU MD1 H . . . 1 1 58 58 TYR QD H . . . . . . . 8.92 . . . . . A . 55 LEU MD1 . . A . 58 TYR QD . . . 55 LEU QD1 . . . . . 58 TYR QD . . rr_1daq 1 688 1 . . 1 1 58 58 TYR QE H . . . 1 1 55 55 LEU MD1 H . . . . . . . 9.16 . . . . . A . 58 TYR QE . . A . 55 LEU MD1 . . . 58 TYR QE . . . . . 55 LEU QD1 . . rr_1daq 1 689 1 . . 1 1 56 56 LYS H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 6.49 . . . . . A . 56 LYS H . . A . 55 LEU MD2 . . . 56 LYS+ HN . . . . . 55 LEU QD2 . . rr_1daq 1 690 1 . . 1 1 58 58 TYR H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 7.03 . . . . . A . 58 TYR H . . A . 55 LEU MD2 . . . 58 TYR HN . . . . . 55 LEU QD2 . . rr_1daq 1 691 1 . . 1 1 58 58 TYR QD H . . . 1 1 55 55 LEU MD2 H . . . . . . . 8.92 . . . . . A . 58 TYR QD . . A . 55 LEU MD2 . . . 58 TYR QD . . . . . 55 LEU QD2 . . rr_1daq 1 692 1 . . 1 1 58 58 TYR QE H . . . 1 1 55 55 LEU MD2 H . . . . . . . 9.16 . . . . . A . 58 TYR QE . . A . 55 LEU MD2 . . . 58 TYR QE . . . . . 55 LEU QD2 . . rr_1daq 1 693 1 OR . 1 1 56 56 LYS H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 6.17 . . . . . A . 56 LYS H . . A . 55 LEU MD2 . . . 56 LYS+ HN . . . . . 55 LEU QQD . . rr_1daq 1 693 2 OR . 1 1 56 56 LYS H H . . . 1 1 55 55 LEU MD1 H . . . . . . . 6.17 . . . . . A . 56 LYS H . . A . 55 LEU MD1 . . . 56 LYS+ HN . . . . . 55 LEU QQD . . rr_1daq 1 694 1 OR . 1 1 58 58 TYR QD H . . . 1 1 55 55 LEU MD2 H . . . . . . . 8.35 . . . . . A . 58 TYR QD . . A . 55 LEU MD2 . . . 58 TYR QD . . . . . 55 LEU QQD . . rr_1daq 1 694 2 OR . 1 1 55 55 LEU MD1 H . . . 1 1 58 58 TYR QD H . . . . . . . 8.35 . . . . . A . 55 LEU MD1 . . A . 58 TYR QD . . . 55 LEU QQD . . . . . 58 TYR QD . . rr_1daq 1 695 1 OR . 1 1 58 58 TYR QE H . . . 1 1 55 55 LEU MD2 H . . . . . . . 8.44 . . . . . A . 58 TYR QE . . A . 55 LEU MD2 . . . 58 TYR QE . . . . . 55 LEU QQD . . rr_1daq 1 695 2 OR . 1 1 58 58 TYR QE H . . . 1 1 55 55 LEU MD1 H . . . . . . . 8.44 . . . . . A . 58 TYR QE . . A . 55 LEU MD1 . . . 58 TYR QE . . . . . 55 LEU QQD . . rr_1daq 1 696 1 OR . 1 1 59 59 ILE H H . . . 1 1 55 55 LEU MD2 H . . . . . . . 8.60 . . . . . A . 59 ILE H . . A . 55 LEU MD2 . . . 59 ILE HN . . . . . 55 LEU QQD . . rr_1daq 1 696 2 OR . 1 1 55 55 LEU MD1 H . . . 1 1 59 59 ILE H H . . . . . . . 8.60 . . . . . A . 55 LEU MD1 . . A . 59 ILE H . . . 55 LEU QQD . . . . . 59 ILE HN . . rr_1daq 1 697 1 OR . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HG2 H . . . . . . . 6.88 . . . . . A . 56 LYS H . . A . 56 LYS HG2 . . . 56 LYS+ HN . . . . . 56 LYS+ QG . . rr_1daq 1 697 2 OR . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HG3 H . . . . . . . 6.88 . . . . . A . 56 LYS H . . A . 56 LYS HG3 . . . 56 LYS+ HN . . . . . 56 LYS+ QG . . rr_1daq 1 698 1 OR . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HD2 H . . . . . . . 5.11 . . . . . A . 56 LYS H . . A . 56 LYS HD2 . . . 56 LYS+ HN . . . . . 56 LYS+ QD . . rr_1daq 1 698 2 OR . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HD3 H . . . . . . . 5.11 . . . . . A . 56 LYS H . . A . 56 LYS HD3 . . . 56 LYS+ HN . . . . . 56 LYS+ QD . . rr_1daq 1 699 1 . . 1 1 57 57 ARG H H . . . 1 1 56 56 LYS H H . . . . . . . 3.30 . . . . . A . 57 ARG H . . A . 56 LYS H . . . 57 ARG+ HN . . . . . 56 LYS+ HN . . rr_1daq 1 700 1 . . 1 1 56 56 LYS H H . . . 1 1 59 59 ILE MG H . . . . . . . 7.03 . . . . . A . 56 LYS H . . A . 59 ILE MG . . . 56 LYS+ HN . . . . . 59 ILE QG2 . . rr_1daq 1 701 1 . . 1 1 59 59 ILE HG12 H . . . 1 1 56 56 LYS H H . . . . . . . 6.00 . . . . . A . 59 ILE HG12 . . A . 56 LYS H . . . 59 ILE HG12 . . . . . 56 LYS+ HN . . rr_1daq 1 702 1 . . 1 1 56 56 LYS H H . . . 1 1 59 59 ILE HG13 H . . . . . . . 6.00 . . . . . A . 56 LYS H . . A . 59 ILE HG13 . . . 56 LYS+ HN . . . . . 59 ILE HG13 . . rr_1daq 1 703 1 OR . 1 1 56 56 LYS H H . . . 1 1 59 59 ILE HG13 H . . . . . . . 5.27 . . . . . A . 56 LYS H . . A . 59 ILE HG13 . . . 56 LYS+ HN . . . . . 59 ILE QG1 . . rr_1daq 1 703 2 OR . 1 1 59 59 ILE HG12 H . . . 1 1 56 56 LYS H H . . . . . . . 5.27 . . . . . A . 59 ILE HG12 . . A . 56 LYS H . . . 59 ILE QG1 . . . . . 56 LYS+ HN . . rr_1daq 1 704 1 . . 1 1 56 56 LYS H H . . . 1 1 59 59 ILE MD H . . . . . . . 7.03 . . . . . A . 56 LYS H . . A . 59 ILE MD . . . 56 LYS+ HN . . . . . 59 ILE QD1 . . rr_1daq 1 705 1 OR . 1 1 56 56 LYS HA H . . . 1 1 56 56 LYS HD2 H . . . . . . . 6.73 . . . . . A . 56 LYS HA . . A . 56 LYS HD2 . . . 56 LYS+ HA . . . . . 56 LYS+ QD . . rr_1daq 1 705 2 OR . 1 1 56 56 LYS HA H . . . 1 1 56 56 LYS HD3 H . . . . . . . 6.73 . . . . . A . 56 LYS HA . . A . 56 LYS HD3 . . . 56 LYS+ HA . . . . . 56 LYS+ QD . . rr_1daq 1 706 1 . . 1 1 56 56 LYS HA H . . . 1 1 59 59 ILE H H . . . . . . . 5.64 . . . . . A . 56 LYS HA . . A . 59 ILE H . . . 56 LYS+ HA . . . . . 59 ILE HN . . rr_1daq 1 707 1 . . 1 1 59 59 ILE HB H . . . 1 1 56 56 LYS HA H . . . . . . . 5.42 . . . . . A . 59 ILE HB . . A . 56 LYS HA . . . 59 ILE HB . . . . . 56 LYS+ HA . . rr_1daq 1 708 1 . . 1 1 56 56 LYS HA H . . . 1 1 59 59 ILE MG H . . . . . . . 6.85 . . . . . A . 56 LYS HA . . A . 59 ILE MG . . . 56 LYS+ HA . . . . . 59 ILE QG2 . . rr_1daq 1 709 1 OR . 1 1 56 56 LYS HA H . . . 1 1 59 59 ILE HG13 H . . . . . . . 6.41 . . . . . A . 56 LYS HA . . A . 59 ILE HG13 . . . 56 LYS+ HA . . . . . 59 ILE QG1 . . rr_1daq 1 709 2 OR . 1 1 59 59 ILE HG12 H . . . 1 1 56 56 LYS HA H . . . . . . . 6.41 . . . . . A . 59 ILE HG12 . . A . 56 LYS HA . . . 59 ILE QG1 . . . . . 56 LYS+ HA . . rr_1daq 1 710 1 . . 1 1 56 56 LYS HA H . . . 1 1 59 59 ILE MD H . . . . . . . 6.06 . . . . . A . 56 LYS HA . . A . 59 ILE MD . . . 56 LYS+ HA . . . . . 59 ILE QD1 . . rr_1daq 1 711 1 OR . 1 1 56 56 LYS HA H . . . 1 1 60 60 LEU HB2 H . . . . . . . 5.76 . . . . . A . 56 LYS HA . . A . 60 LEU HB2 . . . 56 LYS+ HA . . . . . 60 LEU QB . . rr_1daq 1 711 2 OR . 1 1 56 56 LYS HA H . . . 1 1 60 60 LEU HB3 H . . . . . . . 5.76 . . . . . A . 56 LYS HA . . A . 60 LEU HB3 . . . 56 LYS+ HA . . . . . 60 LEU QB . . rr_1daq 1 712 1 OR . 1 1 56 56 LYS HA H . . . 1 1 60 60 LEU MD1 H . . . . . . . 8.13 . . . . . A . 56 LYS HA . . A . 60 LEU MD1 . . . 56 LYS+ HA . . . . . 60 LEU QQD . . rr_1daq 1 712 2 OR . 1 1 56 56 LYS HA H . . . 1 1 60 60 LEU MD2 H . . . . . . . 8.13 . . . . . A . 56 LYS HA . . A . 60 LEU MD2 . . . 56 LYS+ HA . . . . . 60 LEU QQD . . rr_1daq 1 713 1 OR . 1 1 56 56 LYS HB3 H . . . 1 1 56 56 LYS HE2 H . . . . . . . 7.75 . . . . . A . 56 LYS HB3 . . A . 56 LYS HE2 . . . 56 LYS+ QB . . . . . 56 LYS+ QE . . rr_1daq 1 713 2 OR . 1 1 56 56 LYS HE3 H . . . 1 1 56 56 LYS HB2 H . . . . . . . 7.75 . . . . . A . 56 LYS HE3 . . A . 56 LYS HB2 . . . 56 LYS+ QE . . . . . 56 LYS+ QB . . rr_1daq 1 713 3 OR . 1 1 56 56 LYS HB3 H . . . 1 1 56 56 LYS HE3 H . . . . . . . 7.75 . . . . . A . 56 LYS HB3 . . A . 56 LYS HE3 . . . 56 LYS+ QB . . . . . 56 LYS+ QE . . rr_1daq 1 713 4 OR . 1 1 56 56 LYS HB2 H . . . 1 1 56 56 LYS HE2 H . . . . . . . 7.75 . . . . . A . 56 LYS HB2 . . A . 56 LYS HE2 . . . 56 LYS+ QB . . . . . 56 LYS+ QE . . rr_1daq 1 714 1 OR . 1 1 56 56 LYS HG3 H . . . 1 1 60 60 LEU MD1 H . . . . . . . 9.01 . . . . . A . 56 LYS HG3 . . A . 60 LEU MD1 . . . 56 LYS+ QG . . . . . 60 LEU QQD . . rr_1daq 1 714 2 OR . 1 1 56 56 LYS HG2 H . . . 1 1 60 60 LEU MD1 H . . . . . . . 9.01 . . . . . A . 56 LYS HG2 . . A . 60 LEU MD1 . . . 56 LYS+ QG . . . . . 60 LEU QQD . . rr_1daq 1 714 3 OR . 1 1 60 60 LEU MD2 H . . . 1 1 56 56 LYS HG2 H . . . . . . . 9.01 . . . . . A . 60 LEU MD2 . . A . 56 LYS HG2 . . . 60 LEU QQD . . . . . 56 LYS+ QG . . rr_1daq 1 714 4 OR . 1 1 56 56 LYS HG3 H . . . 1 1 60 60 LEU MD2 H . . . . . . . 9.01 . . . . . A . 56 LYS HG3 . . A . 60 LEU MD2 . . . 56 LYS+ QG . . . . . 60 LEU QQD . . rr_1daq 1 715 1 OR . 1 1 58 58 TYR H H . . . 1 1 56 56 LYS HD2 H . . . . . . . 6.80 . . . . . A . 58 TYR H . . A . 56 LYS HD2 . . . 58 TYR HN . . . . . 56 LYS+ QD . . rr_1daq 1 715 2 OR . 1 1 58 58 TYR H H . . . 1 1 56 56 LYS HD3 H . . . . . . . 6.80 . . . . . A . 58 TYR H . . A . 56 LYS HD3 . . . 58 TYR HN . . . . . 56 LYS+ QD . . rr_1daq 1 716 1 OR . 1 1 56 56 LYS HE3 H . . . 1 1 60 60 LEU MD1 H . . . . . . . 9.01 . . . . . A . 56 LYS HE3 . . A . 60 LEU MD1 . . . 56 LYS+ QE . . . . . 60 LEU QQD . . rr_1daq 1 716 2 OR . 1 1 60 60 LEU MD2 H . . . 1 1 56 56 LYS HE2 H . . . . . . . 9.01 . . . . . A . 60 LEU MD2 . . A . 56 LYS HE2 . . . 60 LEU QQD . . . . . 56 LYS+ QE . . rr_1daq 1 716 3 OR . 1 1 60 60 LEU MD2 H . . . 1 1 56 56 LYS HE3 H . . . . . . . 9.01 . . . . . A . 60 LEU MD2 . . A . 56 LYS HE3 . . . 60 LEU QQD . . . . . 56 LYS+ QE . . rr_1daq 1 716 4 OR . 1 1 56 56 LYS HE2 H . . . 1 1 60 60 LEU MD1 H . . . . . . . 9.01 . . . . . A . 56 LYS HE2 . . A . 60 LEU MD1 . . . 56 LYS+ QE . . . . . 60 LEU QQD . . rr_1daq 1 717 1 . . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HB2 H . . . . . . . 3.05 . . . . . A . 57 ARG H . . A . 57 ARG HB2 . . . 57 ARG+ HN . . . . . 57 ARG+ HB2 . . rr_1daq 1 718 1 . . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HB3 H . . . . . . . 3.05 . . . . . A . 57 ARG H . . A . 57 ARG HB3 . . . 57 ARG+ HN . . . . . 57 ARG+ HB3 . . rr_1daq 1 719 1 OR . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HB3 H . . . . . . . 2.74 . . . . . A . 57 ARG H . . A . 57 ARG HB3 . . . 57 ARG+ HN . . . . . 57 ARG+ QB . . rr_1daq 1 719 2 OR . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HB2 H . . . . . . . 2.74 . . . . . A . 57 ARG H . . A . 57 ARG HB2 . . . 57 ARG+ HN . . . . . 57 ARG+ QB . . rr_1daq 1 720 1 . . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HG2 H . . . . . . . 4.56 . . . . . A . 57 ARG H . . A . 57 ARG HG2 . . . 57 ARG+ HN . . . . . 57 ARG+ HG2 . . rr_1daq 1 721 1 . . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HG3 H . . . . . . . 4.56 . . . . . A . 57 ARG H . . A . 57 ARG HG3 . . . 57 ARG+ HN . . . . . 57 ARG+ HG3 . . rr_1daq 1 722 1 OR . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HG2 H . . . . . . . 4.23 . . . . . A . 57 ARG H . . A . 57 ARG HG2 . . . 57 ARG+ HN . . . . . 57 ARG+ QG . . rr_1daq 1 722 2 OR . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HG3 H . . . . . . . 4.23 . . . . . A . 57 ARG H . . A . 57 ARG HG3 . . . 57 ARG+ HN . . . . . 57 ARG+ QG . . rr_1daq 1 723 1 OR . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HD2 H . . . . . . . 6.88 . . . . . A . 57 ARG H . . A . 57 ARG HD2 . . . 57 ARG+ HN . . . . . 57 ARG+ QD . . rr_1daq 1 723 2 OR . 1 1 57 57 ARG H H . . . 1 1 57 57 ARG HD3 H . . . . . . . 6.88 . . . . . A . 57 ARG H . . A . 57 ARG HD3 . . . 57 ARG+ HN . . . . . 57 ARG+ QD . . rr_1daq 1 724 1 . . 1 1 57 57 ARG H H . . . 1 1 58 58 TYR H H . . . . . . . 3.26 . . . . . A . 57 ARG H . . A . 58 TYR H . . . 57 ARG+ HN . . . . . 58 TYR HN . . rr_1daq 1 725 1 OR . 1 1 57 57 ARG HA H . . . 1 1 60 60 LEU HB2 H . . . . . . . 4.61 . . . . . A . 57 ARG HA . . A . 60 LEU HB2 . . . 57 ARG+ HA . . . . . 60 LEU QB . . rr_1daq 1 725 2 OR . 1 1 60 60 LEU HB3 H . . . 1 1 57 57 ARG HA H . . . . . . . 4.61 . . . . . A . 60 LEU HB3 . . A . 57 ARG HA . . . 60 LEU QB . . . . . 57 ARG+ HA . . rr_1daq 1 726 1 OR . 1 1 57 57 ARG HA H . . . 1 1 60 60 LEU MD1 H . . . . . . . 7.70 . . . . . A . 57 ARG HA . . A . 60 LEU MD1 . . . 57 ARG+ HA . . . . . 60 LEU QQD . . rr_1daq 1 726 2 OR . 1 1 60 60 LEU MD2 H . . . 1 1 57 57 ARG HA H . . . . . . . 7.70 . . . . . A . 60 LEU MD2 . . A . 57 ARG HA . . . 60 LEU QQD . . . . . 57 ARG+ HA . . rr_1daq 1 727 1 . . 1 1 57 57 ARG HB2 H . . . 1 1 58 58 TYR H H . . . . . . . 4.56 . . . . . A . 57 ARG HB2 . . A . 58 TYR H . . . 57 ARG+ HB2 . . . . . 58 TYR HN . . rr_1daq 1 728 1 . . 1 1 58 58 TYR H H . . . 1 1 57 57 ARG HB3 H . . . . . . . 4.56 . . . . . A . 58 TYR H . . A . 57 ARG HB3 . . . 58 TYR HN . . . . . 57 ARG+ HB3 . . rr_1daq 1 729 1 OR . 1 1 58 58 TYR H H . . . 1 1 57 57 ARG HB3 H . . . . . . . 3.91 . . . . . A . 58 TYR H . . A . 57 ARG HB3 . . . 58 TYR HN . . . . . 57 ARG+ QB . . rr_1daq 1 729 2 OR . 1 1 57 57 ARG HB2 H . . . 1 1 58 58 TYR H H . . . . . . . 3.91 . . . . . A . 57 ARG HB2 . . A . 58 TYR H . . . 57 ARG+ QB . . . . . 58 TYR HN . . rr_1daq 1 730 1 OR . 1 1 66 66 LEU HA H . . . 1 1 57 57 ARG HB3 H . . . . . . . 6.88 . . . . . A . 66 LEU HA . . A . 57 ARG HB3 . . . 66 LEU HA . . . . . 57 ARG+ QB . . rr_1daq 1 730 2 OR . 1 1 57 57 ARG HB2 H . . . 1 1 66 66 LEU HA H . . . . . . . 6.88 . . . . . A . 57 ARG HB2 . . A . 66 LEU HA . . . 57 ARG+ QB . . . . . 66 LEU HA . . rr_1daq 1 731 1 OR . 1 1 66 66 LEU HG H . . . 1 1 57 57 ARG HB3 H . . . . . . . 6.23 . . . . . A . 66 LEU HG . . A . 57 ARG HB3 . . . 66 LEU HG . . . . . 57 ARG+ QB . . rr_1daq 1 731 2 OR . 1 1 66 66 LEU HG H . . . 1 1 57 57 ARG HB2 H . . . . . . . 6.23 . . . . . A . 66 LEU HG . . A . 57 ARG HB2 . . . 66 LEU HG . . . . . 57 ARG+ QB . . rr_1daq 1 732 1 . . 1 1 58 58 TYR H H . . . 1 1 58 58 TYR HB2 H . . . . . . . 3.37 . . . . . A . 58 TYR H . . A . 58 TYR HB2 . . . 58 TYR HN . . . . . 58 TYR HB2 . . rr_1daq 1 733 1 . . 1 1 58 58 TYR H H . . . 1 1 58 58 TYR HB3 H . . . . . . . 3.37 . . . . . A . 58 TYR H . . A . 58 TYR HB3 . . . 58 TYR HN . . . . . 58 TYR HB3 . . rr_1daq 1 734 1 OR . 1 1 58 58 TYR H H . . . 1 1 58 58 TYR HB3 H . . . . . . . 3.11 . . . . . A . 58 TYR H . . A . 58 TYR HB3 . . . 58 TYR HN . . . . . 58 TYR QB . . rr_1daq 1 734 2 OR . 1 1 58 58 TYR H H . . . 1 1 58 58 TYR HB2 H . . . . . . . 3.11 . . . . . A . 58 TYR H . . A . 58 TYR HB2 . . . 58 TYR HN . . . . . 58 TYR QB . . rr_1daq 1 735 1 . . 1 1 66 66 LEU HG H . . . 1 1 58 58 TYR H H . . . . . . . 5.32 . . . . . A . 66 LEU HG . . A . 58 TYR H . . . 66 LEU HG . . . . . 58 TYR HN . . rr_1daq 1 736 1 OR . 1 1 58 58 TYR H H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.60 . . . . . A . 58 TYR H . . A . 66 LEU MD2 . . . 58 TYR HN . . . . . 66 LEU QQD . . rr_1daq 1 736 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 58 58 TYR H H . . . . . . . 8.60 . . . . . A . 66 LEU MD1 . . A . 58 TYR H . . . 66 LEU QQD . . . . . 58 TYR HN . . rr_1daq 1 737 1 . . 1 1 58 58 TYR HA H . . . 1 1 60 60 LEU H H . . . . . . . 4.20 . . . . . A . 58 TYR HA . . A . 60 LEU H . . . 58 TYR HA . . . . . 60 LEU HN . . rr_1daq 1 738 1 . . 1 1 58 58 TYR HA H . . . 1 1 62 62 GLU H H . . . . . . . 3.73 . . . . . A . 58 TYR HA . . A . 62 GLU H . . . 58 TYR HA . . . . . 62 GLU- HN . . rr_1daq 1 739 1 . . 1 1 58 58 TYR HB2 H . . . 1 1 59 59 ILE H H . . . . . . . 4.60 . . . . . A . 58 TYR HB2 . . A . 59 ILE H . . . 58 TYR HB2 . . . . . 59 ILE HN . . rr_1daq 1 740 1 . . 1 1 66 66 LEU HG H . . . 1 1 58 58 TYR HB2 H . . . . . . . 6.00 . . . . . A . 66 LEU HG . . A . 58 TYR HB2 . . . 66 LEU HG . . . . . 58 TYR HB2 . . rr_1daq 1 741 1 . . 1 1 66 66 LEU MD1 H . . . 1 1 58 58 TYR HB2 H . . . . . . . 8.78 . . . . . A . 66 LEU MD1 . . A . 58 TYR HB2 . . . 66 LEU QD1 . . . . . 58 TYR HB2 . . rr_1daq 1 742 1 . . 1 1 58 58 TYR HB2 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.78 . . . . . A . 58 TYR HB2 . . A . 66 LEU MD2 . . . 58 TYR HB2 . . . . . 66 LEU QD2 . . rr_1daq 1 743 1 . . 1 1 59 59 ILE H H . . . 1 1 58 58 TYR HB3 H . . . . . . . 4.60 . . . . . A . 59 ILE H . . A . 58 TYR HB3 . . . 59 ILE HN . . . . . 58 TYR HB3 . . rr_1daq 1 744 1 . . 1 1 66 66 LEU HG H . . . 1 1 58 58 TYR HB3 H . . . . . . . 6.00 . . . . . A . 66 LEU HG . . A . 58 TYR HB3 . . . 66 LEU HG . . . . . 58 TYR HB3 . . rr_1daq 1 745 1 . . 1 1 66 66 LEU MD1 H . . . 1 1 58 58 TYR HB3 H . . . . . . . 8.78 . . . . . A . 66 LEU MD1 . . A . 58 TYR HB3 . . . 66 LEU QD1 . . . . . 58 TYR HB3 . . rr_1daq 1 746 1 . . 1 1 58 58 TYR HB3 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.78 . . . . . A . 58 TYR HB3 . . A . 66 LEU MD2 . . . 58 TYR HB3 . . . . . 66 LEU QD2 . . rr_1daq 1 747 1 OR . 1 1 59 59 ILE H H . . . 1 1 58 58 TYR HB3 H . . . . . . . 3.90 . . . . . A . 59 ILE H . . A . 58 TYR HB3 . . . 59 ILE HN . . . . . 58 TYR QB . . rr_1daq 1 747 2 OR . 1 1 58 58 TYR HB2 H . . . 1 1 59 59 ILE H H . . . . . . . 3.90 . . . . . A . 58 TYR HB2 . . A . 59 ILE H . . . 58 TYR QB . . . . . 59 ILE HN . . rr_1daq 1 748 1 OR . 1 1 58 58 TYR HB2 H . . . 1 1 59 59 ILE HG13 H . . . . . . . 7.75 . . . . . A . 58 TYR HB2 . . A . 59 ILE HG13 . . . 58 TYR QB . . . . . 59 ILE QG1 . . rr_1daq 1 748 2 OR . 1 1 58 58 TYR HB3 H . . . 1 1 59 59 ILE HG13 H . . . . . . . 7.75 . . . . . A . 58 TYR HB3 . . A . 59 ILE HG13 . . . 58 TYR QB . . . . . 59 ILE QG1 . . rr_1daq 1 748 3 OR . 1 1 59 59 ILE HG12 H . . . 1 1 58 58 TYR HB3 H . . . . . . . 7.75 . . . . . A . 59 ILE HG12 . . A . 58 TYR HB3 . . . 59 ILE QG1 . . . . . 58 TYR QB . . rr_1daq 1 748 4 OR . 1 1 59 59 ILE HG12 H . . . 1 1 58 58 TYR HB2 H . . . . . . . 7.75 . . . . . A . 59 ILE HG12 . . A . 58 TYR HB2 . . . 59 ILE QG1 . . . . . 58 TYR QB . . rr_1daq 1 749 1 OR . 1 1 60 60 LEU H H . . . 1 1 58 58 TYR HB3 H . . . . . . . 5.87 . . . . . A . 60 LEU H . . A . 58 TYR HB3 . . . 60 LEU HN . . . . . 58 TYR QB . . rr_1daq 1 749 2 OR . 1 1 58 58 TYR HB2 H . . . 1 1 60 60 LEU H H . . . . . . . 5.87 . . . . . A . 58 TYR HB2 . . A . 60 LEU H . . . 58 TYR QB . . . . . 60 LEU HN . . rr_1daq 1 750 1 OR . 1 1 61 61 LYS H H . . . 1 1 58 58 TYR HB3 H . . . . . . . 6.41 . . . . . A . 61 LYS H . . A . 58 TYR HB3 . . . 61 LYS+ HN . . . . . 58 TYR QB . . rr_1daq 1 750 2 OR . 1 1 58 58 TYR HB2 H . . . 1 1 61 61 LYS H H . . . . . . . 6.41 . . . . . A . 58 TYR HB2 . . A . 61 LYS H . . . 58 TYR QB . . . . . 61 LYS+ HN . . rr_1daq 1 751 1 OR . 1 1 63 63 ILE MG H . . . 1 1 58 58 TYR HB3 H . . . . . . . 7.90 . . . . . A . 63 ILE MG . . A . 58 TYR HB3 . . . 63 ILE QG2 . . . . . 58 TYR QB . . rr_1daq 1 751 2 OR . 1 1 63 63 ILE MG H . . . 1 1 58 58 TYR HB2 H . . . . . . . 7.90 . . . . . A . 63 ILE MG . . A . 58 TYR HB2 . . . 63 ILE QG2 . . . . . 58 TYR QB . . rr_1daq 1 752 1 OR . 1 1 63 63 ILE MD H . . . 1 1 58 58 TYR HB3 H . . . . . . . 7.69 . . . . . A . 63 ILE MD . . A . 58 TYR HB3 . . . 63 ILE QD1 . . . . . 58 TYR QB . . rr_1daq 1 752 2 OR . 1 1 63 63 ILE MD H . . . 1 1 58 58 TYR HB2 H . . . . . . . 7.69 . . . . . A . 63 ILE MD . . A . 58 TYR HB2 . . . 63 ILE QD1 . . . . . 58 TYR QB . . rr_1daq 1 753 1 OR . 1 1 65 65 THR MG H . . . 1 1 58 58 TYR HB3 H . . . . . . . 7.90 . . . . . A . 65 THR MG . . A . 58 TYR HB3 . . . 65 THR QG2 . . . . . 58 TYR QB . . rr_1daq 1 753 2 OR . 1 1 58 58 TYR HB2 H . . . 1 1 65 65 THR MG H . . . . . . . 7.90 . . . . . A . 58 TYR HB2 . . A . 65 THR MG . . . 58 TYR QB . . . . . 65 THR QG2 . . rr_1daq 1 754 1 OR . 1 1 66 66 LEU HG H . . . 1 1 58 58 TYR HB3 H . . . . . . . 5.72 . . . . . A . 66 LEU HG . . A . 58 TYR HB3 . . . 66 LEU HG . . . . . 58 TYR QB . . rr_1daq 1 754 2 OR . 1 1 66 66 LEU HG H . . . 1 1 58 58 TYR HB2 H . . . . . . . 5.72 . . . . . A . 66 LEU HG . . A . 58 TYR HB2 . . . 66 LEU HG . . . . . 58 TYR QB . . rr_1daq 1 755 1 OR . 1 1 58 58 TYR HB2 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 7.04 . . . . . A . 58 TYR HB2 . . A . 66 LEU MD2 . . . 58 TYR QB . . . . . 66 LEU QQD . . rr_1daq 1 755 2 OR . 1 1 58 58 TYR HB3 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 7.04 . . . . . A . 58 TYR HB3 . . A . 66 LEU MD2 . . . 58 TYR QB . . . . . 66 LEU QQD . . rr_1daq 1 755 3 OR . 1 1 66 66 LEU MD1 H . . . 1 1 58 58 TYR HB3 H . . . . . . . 7.04 . . . . . A . 66 LEU MD1 . . A . 58 TYR HB3 . . . 66 LEU QQD . . . . . 58 TYR QB . . rr_1daq 1 755 4 OR . 1 1 66 66 LEU MD1 H . . . 1 1 58 58 TYR HB2 H . . . . . . . 7.04 . . . . . A . 66 LEU MD1 . . A . 58 TYR HB2 . . . 66 LEU QQD . . . . . 58 TYR QB . . rr_1daq 1 756 1 . . 1 1 58 58 TYR QD H . . . 1 1 59 59 ILE H H . . . . . . . 8.14 . . . . . A . 58 TYR QD . . A . 59 ILE H . . . 58 TYR QD . . . . . 59 ILE HN . . rr_1daq 1 757 1 . . 1 1 58 58 TYR QD H . . . 1 1 59 59 ILE HA H . . . . . . . 8.14 . . . . . A . 58 TYR QD . . A . 59 ILE HA . . . 58 TYR QD . . . . . 59 ILE HA . . rr_1daq 1 758 1 . . 1 1 59 59 ILE HG12 H . . . 1 1 58 58 TYR QD H . . . . . . . 8.14 . . . . . A . 59 ILE HG12 . . A . 58 TYR QD . . . 59 ILE HG12 . . . . . 58 TYR QD . . rr_1daq 1 759 1 . . 1 1 58 58 TYR QD H . . . 1 1 59 59 ILE HG13 H . . . . . . . 8.14 . . . . . A . 58 TYR QD . . A . 59 ILE HG13 . . . 58 TYR QD . . . . . 59 ILE HG13 . . rr_1daq 1 760 1 . . 1 1 58 58 TYR QD H . . . 1 1 61 61 LYS HA H . . . . . . . 8.14 . . . . . A . 58 TYR QD . . A . 61 LYS HA . . . 58 TYR QD . . . . . 61 LYS+ HA . . rr_1daq 1 761 1 OR . 1 1 58 58 TYR QD H . . . 1 1 61 61 LYS HD2 H . . . . . . . 9.02 . . . . . A . 58 TYR QD . . A . 61 LYS HD2 . . . 58 TYR QD . . . . . 61 LYS+ QD . . rr_1daq 1 761 2 OR . 1 1 58 58 TYR QD H . . . 1 1 61 61 LYS HD3 H . . . . . . . 9.02 . . . . . A . 58 TYR QD . . A . 61 LYS HD3 . . . 58 TYR QD . . . . . 61 LYS+ QD . . rr_1daq 1 762 1 . . 1 1 63 63 ILE HB H . . . 1 1 58 58 TYR QD H . . . . . . . 8.14 . . . . . A . 63 ILE HB . . A . 58 TYR QD . . . 63 ILE HB . . . . . 58 TYR QD . . rr_1daq 1 763 1 OR . 1 1 58 58 TYR QD H . . . 1 1 63 63 ILE HG12 H . . . . . . . 9.02 . . . . . A . 58 TYR QD . . A . 63 ILE HG12 . . . 58 TYR QD . . . . . 63 ILE QG1 . . rr_1daq 1 763 2 OR . 1 1 63 63 ILE HG13 H . . . 1 1 58 58 TYR QD H . . . . . . . 9.02 . . . . . A . 63 ILE HG13 . . A . 58 TYR QD . . . 63 ILE QG1 . . . . . 58 TYR QD . . rr_1daq 1 764 1 . . 1 1 63 63 ILE MD H . . . 1 1 58 58 TYR QD H . . . . . . . 9.17 . . . . . A . 63 ILE MD . . A . 58 TYR QD . . . 63 ILE QD1 . . . . . 58 TYR QD . . rr_1daq 1 765 1 . . 1 1 58 58 TYR QD H . . . 1 1 64 64 ASP HA H . . . . . . . 8.14 . . . . . A . 58 TYR QD . . A . 64 ASP HA . . . 58 TYR QD . . . . . 64 ASP- HA . . rr_1daq 1 766 1 . . 1 1 58 58 TYR QD H . . . 1 1 65 65 THR HA H . . . . . . . 8.14 . . . . . A . 58 TYR QD . . A . 65 THR HA . . . 58 TYR QD . . . . . 65 THR HA . . rr_1daq 1 767 1 OR . 1 1 58 58 TYR QD H . . . 1 1 66 66 LEU HB2 H . . . . . . . 9.02 . . . . . A . 58 TYR QD . . A . 66 LEU HB2 . . . 58 TYR QD . . . . . 66 LEU QB . . rr_1daq 1 767 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 58 58 TYR QD H . . . . . . . 9.02 . . . . . A . 66 LEU HB3 . . A . 58 TYR QD . . . 66 LEU QB . . . . . 58 TYR QD . . rr_1daq 1 768 1 . . 1 1 66 66 LEU HG H . . . 1 1 58 58 TYR QD H . . . . . . . 8.14 . . . . . A . 66 LEU HG . . A . 58 TYR QD . . . 66 LEU HG . . . . . 58 TYR QD . . rr_1daq 1 769 1 . . 1 1 66 66 LEU MD1 H . . . 1 1 58 58 TYR QD H . . . . . . . 9.17 . . . . . A . 66 LEU MD1 . . A . 58 TYR QD . . . 66 LEU QD1 . . . . . 58 TYR QD . . rr_1daq 1 770 1 . . 1 1 58 58 TYR QD H . . . 1 1 66 66 LEU MD2 H . . . . . . . 9.17 . . . . . A . 58 TYR QD . . A . 66 LEU MD2 . . . 58 TYR QD . . . . . 66 LEU QD2 . . rr_1daq 1 771 1 OR . 1 1 58 58 TYR QD H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.98 . . . . . A . 58 TYR QD . . A . 66 LEU MD2 . . . 58 TYR QD . . . . . 66 LEU QQD . . rr_1daq 1 771 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 58 58 TYR QD H . . . . . . . 8.98 . . . . . A . 66 LEU MD1 . . A . 58 TYR QD . . . 66 LEU QQD . . . . . 58 TYR QD . . rr_1daq 1 772 1 . . 1 1 58 58 TYR QE H . . . 1 1 59 59 ILE HA H . . . . . . . 8.13 . . . . . A . 58 TYR QE . . A . 59 ILE HA . . . 58 TYR QE . . . . . 59 ILE HA . . rr_1daq 1 773 1 OR . 1 1 58 58 TYR QE H . . . 1 1 59 59 ILE HG13 H . . . . . . . 9.01 . . . . . A . 58 TYR QE . . A . 59 ILE HG13 . . . 58 TYR QE . . . . . 59 ILE QG1 . . rr_1daq 1 773 2 OR . 1 1 59 59 ILE HG12 H . . . 1 1 58 58 TYR QE H . . . . . . . 9.01 . . . . . A . 59 ILE HG12 . . A . 58 TYR QE . . . 59 ILE QG1 . . . . . 58 TYR QE . . rr_1daq 1 774 1 . . 1 1 58 58 TYR QE H . . . 1 1 64 64 ASP HA H . . . . . . . 7.45 . . . . . A . 58 TYR QE . . A . 64 ASP HA . . . 58 TYR QE . . . . . 64 ASP- HA . . rr_1daq 1 775 1 . . 1 1 58 58 TYR QE H . . . 1 1 65 65 THR HA H . . . . . . . 7.70 . . . . . A . 58 TYR QE . . A . 65 THR HA . . . 58 TYR QE . . . . . 65 THR HA . . rr_1daq 1 776 1 . . 1 1 58 58 TYR QE H . . . 1 1 65 65 THR MG H . . . . . . . 9.16 . . . . . A . 58 TYR QE . . A . 65 THR MG . . . 58 TYR QE . . . . . 65 THR QG2 . . rr_1daq 1 777 1 OR . 1 1 58 58 TYR QE H . . . 1 1 66 66 LEU HB2 H . . . . . . . 9.01 . . . . . A . 58 TYR QE . . A . 66 LEU HB2 . . . 58 TYR QE . . . . . 66 LEU QB . . rr_1daq 1 777 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 58 58 TYR QE H . . . . . . . 9.01 . . . . . A . 66 LEU HB3 . . A . 58 TYR QE . . . 66 LEU QB . . . . . 58 TYR QE . . rr_1daq 1 778 1 . . 1 1 66 66 LEU HG H . . . 1 1 58 58 TYR QE H . . . . . . . 8.13 . . . . . A . 66 LEU HG . . A . 58 TYR QE . . . 66 LEU HG . . . . . 58 TYR QE . . rr_1daq 1 779 1 . . 1 1 66 66 LEU MD1 H . . . 1 1 58 58 TYR QE H . . . . . . . 9.16 . . . . . A . 66 LEU MD1 . . A . 58 TYR QE . . . 66 LEU QD1 . . . . . 58 TYR QE . . rr_1daq 1 780 1 . . 1 1 58 58 TYR QE H . . . 1 1 66 66 LEU MD2 H . . . . . . . 9.16 . . . . . A . 58 TYR QE . . A . 66 LEU MD2 . . . 58 TYR QE . . . . . 66 LEU QD2 . . rr_1daq 1 781 1 . . 1 1 59 59 ILE HG12 H . . . 1 1 59 59 ILE H H . . . . . . . 4.09 . . . . . A . 59 ILE HG12 . . A . 59 ILE H . . . 59 ILE HG12 . . . . . 59 ILE HN . . rr_1daq 1 782 1 . . 1 1 59 59 ILE H H . . . 1 1 59 59 ILE HG13 H . . . . . . . 4.09 . . . . . A . 59 ILE H . . A . 59 ILE HG13 . . . 59 ILE HN . . . . . 59 ILE HG13 . . rr_1daq 1 783 1 OR . 1 1 59 59 ILE H H . . . 1 1 59 59 ILE HG13 H . . . . . . . 3.66 . . . . . A . 59 ILE H . . A . 59 ILE HG13 . . . 59 ILE HN . . . . . 59 ILE QG1 . . rr_1daq 1 783 2 OR . 1 1 59 59 ILE HG12 H . . . 1 1 59 59 ILE H H . . . . . . . 3.66 . . . . . A . 59 ILE HG12 . . A . 59 ILE H . . . 59 ILE QG1 . . . . . 59 ILE HN . . rr_1daq 1 784 1 . . 1 1 59 59 ILE H H . . . 1 1 59 59 ILE MD H . . . . . . . 7.03 . . . . . A . 59 ILE H . . A . 59 ILE MD . . . 59 ILE HN . . . . . 59 ILE QD1 . . rr_1daq 1 785 1 . . 1 1 59 59 ILE H H . . . 1 1 60 60 LEU H H . . . . . . . 3.23 . . . . . A . 59 ILE H . . A . 60 LEU H . . . 59 ILE HN . . . . . 60 LEU HN . . rr_1daq 1 786 1 . . 1 1 59 59 ILE H H . . . 1 1 61 61 LYS H H . . . . . . . 6.00 . . . . . A . 59 ILE H . . A . 61 LYS H . . . 59 ILE HN . . . . . 61 LYS+ HN . . rr_1daq 1 787 1 OR . 1 1 59 59 ILE H H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.60 . . . . . A . 59 ILE H . . A . 66 LEU MD2 . . . 59 ILE HN . . . . . 66 LEU QQD . . rr_1daq 1 787 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 59 59 ILE H H . . . . . . . 8.60 . . . . . A . 66 LEU MD1 . . A . 59 ILE H . . . 66 LEU QQD . . . . . 59 ILE HN . . rr_1daq 1 788 1 . . 1 1 61 61 LYS H H . . . 1 1 59 59 ILE HA H . . . . . . . 4.38 . . . . . A . 61 LYS H . . A . 59 ILE HA . . . 61 LYS+ HN . . . . . 59 ILE HA . . rr_1daq 1 789 1 . . 1 1 59 59 ILE MG H . . . 1 1 61 61 LYS H H . . . . . . . 7.03 . . . . . A . 59 ILE MG . . A . 61 LYS H . . . 59 ILE QG2 . . . . . 61 LYS+ HN . . rr_1daq 1 790 1 OR . 1 1 59 59 ILE MG H . . . 1 1 66 66 LEU HB2 H . . . . . . . 5.85 . . . . . A . 59 ILE MG . . A . 66 LEU HB2 . . . 59 ILE QG2 . . . . . 66 LEU QB . . rr_1daq 1 790 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 59 59 ILE MG H . . . . . . . 5.85 . . . . . A . 66 LEU HB3 . . A . 59 ILE MG . . . 66 LEU QB . . . . . 59 ILE QG2 . . rr_1daq 1 791 1 OR . 1 1 60 60 LEU H H . . . 1 1 59 59 ILE HG13 H . . . . . . . 6.88 . . . . . A . 60 LEU H . . A . 59 ILE HG13 . . . 60 LEU HN . . . . . 59 ILE QG1 . . rr_1daq 1 791 2 OR . 1 1 59 59 ILE HG12 H . . . 1 1 60 60 LEU H H . . . . . . . 6.88 . . . . . A . 59 ILE HG12 . . A . 60 LEU H . . . 59 ILE QG1 . . . . . 60 LEU HN . . rr_1daq 1 792 1 OR . 1 1 60 60 LEU H H . . . 1 1 60 60 LEU MD1 H . . . . . . . 7.48 . . . . . A . 60 LEU H . . A . 60 LEU MD1 . . . 60 LEU HN . . . . . 60 LEU QQD . . rr_1daq 1 792 2 OR . 1 1 60 60 LEU MD2 H . . . 1 1 60 60 LEU H H . . . . . . . 7.48 . . . . . A . 60 LEU MD2 . . A . 60 LEU H . . . 60 LEU QQD . . . . . 60 LEU HN . . rr_1daq 1 793 1 . . 1 1 60 60 LEU H H . . . 1 1 61 61 LYS H H . . . . . . . 3.37 . . . . . A . 60 LEU H . . A . 61 LYS H . . . 60 LEU HN . . . . . 61 LYS+ HN . . rr_1daq 1 794 1 OR . 1 1 61 61 LYS H H . . . 1 1 60 60 LEU HB2 H . . . . . . . 5.04 . . . . . A . 61 LYS H . . A . 60 LEU HB2 . . . 61 LYS+ HN . . . . . 60 LEU QB . . rr_1daq 1 794 2 OR . 1 1 60 60 LEU HB3 H . . . 1 1 61 61 LYS H H . . . . . . . 5.04 . . . . . A . 60 LEU HB3 . . A . 61 LYS H . . . 60 LEU QB . . . . . 61 LYS+ HN . . rr_1daq 1 795 1 OR . 1 1 63 63 ILE MG H . . . 1 1 60 60 LEU HB2 H . . . . . . . 7.90 . . . . . A . 63 ILE MG . . A . 60 LEU HB2 . . . 63 ILE QG2 . . . . . 60 LEU QB . . rr_1daq 1 795 2 OR . 1 1 63 63 ILE MG H . . . 1 1 60 60 LEU HB3 H . . . . . . . 7.90 . . . . . A . 63 ILE MG . . A . 60 LEU HB3 . . . 63 ILE QG2 . . . . . 60 LEU QB . . rr_1daq 1 796 1 OR . 1 1 63 63 ILE MD H . . . 1 1 60 60 LEU HB2 H . . . . . . . 7.90 . . . . . A . 63 ILE MD . . A . 60 LEU HB2 . . . 63 ILE QD1 . . . . . 60 LEU QB . . rr_1daq 1 796 2 OR . 1 1 63 63 ILE MD H . . . 1 1 60 60 LEU HB3 H . . . . . . . 7.90 . . . . . A . 63 ILE MD . . A . 60 LEU HB3 . . . 63 ILE QD1 . . . . . 60 LEU QB . . rr_1daq 1 797 1 OR . 1 1 61 61 LYS H H . . . 1 1 60 60 LEU MD1 H . . . . . . . 8.13 . . . . . A . 61 LYS H . . A . 60 LEU MD1 . . . 61 LYS+ HN . . . . . 60 LEU QQD . . rr_1daq 1 797 2 OR . 1 1 60 60 LEU MD2 H . . . 1 1 61 61 LYS H H . . . . . . . 8.13 . . . . . A . 60 LEU MD2 . . A . 61 LYS H . . . 60 LEU QQD . . . . . 61 LYS+ HN . . rr_1daq 1 798 1 OR . 1 1 62 62 GLU H H . . . 1 1 60 60 LEU MD1 H . . . . . . . 8.13 . . . . . A . 62 GLU H . . A . 60 LEU MD1 . . . 62 GLU- HN . . . . . 60 LEU QQD . . rr_1daq 1 798 2 OR . 1 1 60 60 LEU MD2 H . . . 1 1 62 62 GLU H H . . . . . . . 8.13 . . . . . A . 60 LEU MD2 . . A . 62 GLU H . . . 60 LEU QQD . . . . . 62 GLU- HN . . rr_1daq 1 799 1 OR . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HG2 H . . . . . . . 5.87 . . . . . A . 61 LYS H . . A . 61 LYS HG2 . . . 61 LYS+ HN . . . . . 61 LYS+ QG . . rr_1daq 1 799 2 OR . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HG3 H . . . . . . . 5.87 . . . . . A . 61 LYS H . . A . 61 LYS HG3 . . . 61 LYS+ HN . . . . . 61 LYS+ QG . . rr_1daq 1 800 1 OR . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HD2 H . . . . . . . 6.88 . . . . . A . 61 LYS H . . A . 61 LYS HD2 . . . 61 LYS+ HN . . . . . 61 LYS+ QD . . rr_1daq 1 800 2 OR . 1 1 61 61 LYS H H . . . 1 1 61 61 LYS HD3 H . . . . . . . 6.88 . . . . . A . 61 LYS H . . A . 61 LYS HD3 . . . 61 LYS+ HN . . . . . 61 LYS+ QD . . rr_1daq 1 801 1 . . 1 1 62 62 GLU H H . . . 1 1 61 61 LYS H H . . . . . . . 3.23 . . . . . A . 62 GLU H . . A . 61 LYS H . . . 62 GLU- HN . . . . . 61 LYS+ HN . . rr_1daq 1 802 1 OR . 1 1 61 61 LYS HA H . . . 1 1 61 61 LYS HD2 H . . . . . . . 6.19 . . . . . A . 61 LYS HA . . A . 61 LYS HD2 . . . 61 LYS+ HA . . . . . 61 LYS+ QD . . rr_1daq 1 802 2 OR . 1 1 61 61 LYS HA H . . . 1 1 61 61 LYS HD3 H . . . . . . . 6.19 . . . . . A . 61 LYS HA . . A . 61 LYS HD3 . . . 61 LYS+ HA . . . . . 61 LYS+ QD . . rr_1daq 1 803 1 . . 1 1 61 61 LYS HA H . . . 1 1 63 63 ILE H H . . . . . . . 3.91 . . . . . A . 61 LYS HA . . A . 63 ILE H . . . 61 LYS+ HA . . . . . 63 ILE HN . . rr_1daq 1 804 1 OR . 1 1 62 62 GLU H H . . . 1 1 61 61 LYS HB2 H . . . . . . . 4.46 . . . . . A . 62 GLU H . . A . 61 LYS HB2 . . . 62 GLU- HN . . . . . 61 LYS+ QB . . rr_1daq 1 804 2 OR . 1 1 62 62 GLU H H . . . 1 1 61 61 LYS HB3 H . . . . . . . 4.46 . . . . . A . 62 GLU H . . A . 61 LYS HB3 . . . 62 GLU- HN . . . . . 61 LYS+ QB . . rr_1daq 1 805 1 OR . 1 1 63 63 ILE H H . . . 1 1 61 61 LYS HG2 H . . . . . . . 6.80 . . . . . A . 63 ILE H . . A . 61 LYS HG2 . . . 63 ILE HN . . . . . 61 LYS+ QG . . rr_1daq 1 805 2 OR . 1 1 61 61 LYS HG3 H . . . 1 1 63 63 ILE H H . . . . . . . 6.80 . . . . . A . 61 LYS HG3 . . A . 63 ILE H . . . 61 LYS+ QG . . . . . 63 ILE HN . . rr_1daq 1 806 1 OR . 1 1 62 62 GLU H H . . . 1 1 62 62 GLU HB2 H . . . . . . . 3.57 . . . . . A . 62 GLU H . . A . 62 GLU HB2 . . . 62 GLU- HN . . . . . 62 GLU- QB . . rr_1daq 1 806 2 OR . 1 1 62 62 GLU H H . . . 1 1 62 62 GLU HB3 H . . . . . . . 3.57 . . . . . A . 62 GLU H . . A . 62 GLU HB3 . . . 62 GLU- HN . . . . . 62 GLU- QB . . rr_1daq 1 807 1 OR . 1 1 62 62 GLU H H . . . 1 1 62 62 GLU HG2 H . . . . . . . 4.90 . . . . . A . 62 GLU H . . A . 62 GLU HG2 . . . 62 GLU- HN . . . . . 62 GLU- QG . . rr_1daq 1 807 2 OR . 1 1 62 62 GLU H H . . . 1 1 62 62 GLU HG3 H . . . . . . . 4.90 . . . . . A . 62 GLU H . . A . 62 GLU HG3 . . . 62 GLU- HN . . . . . 62 GLU- QG . . rr_1daq 1 808 1 . . 1 1 62 62 GLU H H . . . 1 1 63 63 ILE H H . . . . . . . 2.94 . . . . . A . 62 GLU H . . A . 63 ILE H . . . 62 GLU- HN . . . . . 63 ILE HN . . rr_1daq 1 809 1 . . 1 1 63 63 ILE H H . . . 1 1 62 62 GLU HB2 H . . . . . . . 4.16 . . . . . A . 63 ILE H . . A . 62 GLU HB2 . . . 63 ILE HN . . . . . 62 GLU- HB2 . . rr_1daq 1 810 1 . . 1 1 63 63 ILE H H . . . 1 1 62 62 GLU HB3 H . . . . . . . 4.16 . . . . . A . 63 ILE H . . A . 62 GLU HB3 . . . 63 ILE HN . . . . . 62 GLU- HB3 . . rr_1daq 1 811 1 OR . 1 1 63 63 ILE H H . . . 1 1 62 62 GLU HB2 H . . . . . . . 3.87 . . . . . A . 63 ILE H . . A . 62 GLU HB2 . . . 63 ILE HN . . . . . 62 GLU- QB . . rr_1daq 1 811 2 OR . 1 1 63 63 ILE H H . . . 1 1 62 62 GLU HB3 H . . . . . . . 3.87 . . . . . A . 63 ILE H . . A . 62 GLU HB3 . . . 63 ILE HN . . . . . 62 GLU- QB . . rr_1daq 1 812 1 . . 1 1 63 63 ILE HB H . . . 1 1 63 63 ILE H H . . . . . . . 3.88 . . . . . A . 63 ILE HB . . A . 63 ILE H . . . 63 ILE HB . . . . . 63 ILE HN . . rr_1daq 1 813 1 OR . 1 1 63 63 ILE H H . . . 1 1 63 63 ILE HG12 H . . . . . . . 6.16 . . . . . A . 63 ILE H . . A . 63 ILE HG12 . . . 63 ILE HN . . . . . 63 ILE QG1 . . rr_1daq 1 813 2 OR . 1 1 63 63 ILE HG13 H . . . 1 1 63 63 ILE H H . . . . . . . 6.16 . . . . . A . 63 ILE HG13 . . A . 63 ILE H . . . 63 ILE QG1 . . . . . 63 ILE HN . . rr_1daq 1 814 1 . . 1 1 63 63 ILE HA H . . . 1 1 64 64 ASP H H . . . . . . . 2.51 . . . . . A . 63 ILE HA . . A . 64 ASP H . . . 63 ILE HA . . . . . 64 ASP- HN . . rr_1daq 1 815 1 . . 1 1 63 63 ILE HB H . . . 1 1 64 64 ASP H H . . . . . . . 4.27 . . . . . A . 63 ILE HB . . A . 64 ASP H . . . 63 ILE HB . . . . . 64 ASP- HN . . rr_1daq 1 816 1 . . 1 1 63 63 ILE MG H . . . 1 1 64 64 ASP H H . . . . . . . 7.03 . . . . . A . 63 ILE MG . . A . 64 ASP H . . . 63 ILE QG2 . . . . . 64 ASP- HN . . rr_1daq 1 817 1 OR . 1 1 64 64 ASP H H . . . 1 1 63 63 ILE HG12 H . . . . . . . 6.88 . . . . . A . 64 ASP H . . A . 63 ILE HG12 . . . 64 ASP- HN . . . . . 63 ILE QG1 . . rr_1daq 1 817 2 OR . 1 1 63 63 ILE HG13 H . . . 1 1 64 64 ASP H H . . . . . . . 6.88 . . . . . A . 63 ILE HG13 . . A . 64 ASP H . . . 63 ILE QG1 . . . . . 64 ASP- HN . . rr_1daq 1 818 1 OR . 1 1 65 65 THR H H . . . 1 1 63 63 ILE HG12 H . . . . . . . 6.16 . . . . . A . 65 THR H . . A . 63 ILE HG12 . . . 65 THR HN . . . . . 63 ILE QG1 . . rr_1daq 1 818 2 OR . 1 1 63 63 ILE HG13 H . . . 1 1 65 65 THR H H . . . . . . . 6.16 . . . . . A . 63 ILE HG13 . . A . 65 THR H . . . 63 ILE QG1 . . . . . 65 THR HN . . rr_1daq 1 819 1 . . 1 1 63 63 ILE MD H . . . 1 1 66 66 LEU H H . . . . . . . 7.03 . . . . . A . 63 ILE MD . . A . 66 LEU H . . . 63 ILE QD1 . . . . . 66 LEU HN . . rr_1daq 1 820 1 . . 1 1 64 64 ASP H H . . . 1 1 65 65 THR H H . . . . . . . 3.91 . . . . . A . 64 ASP H . . A . 65 THR H . . . 64 ASP- HN . . . . . 65 THR HN . . rr_1daq 1 821 1 . . 1 1 65 65 THR H H . . . 1 1 64 64 ASP HB2 H . . . . . . . 4.49 . . . . . A . 65 THR H . . A . 64 ASP HB2 . . . 65 THR HN . . . . . 64 ASP- HB2 . . rr_1daq 1 822 1 . . 1 1 65 65 THR H H . . . 1 1 64 64 ASP HB3 H . . . . . . . 4.49 . . . . . A . 65 THR H . . A . 64 ASP HB3 . . . 65 THR HN . . . . . 64 ASP- HB3 . . rr_1daq 1 823 1 . . 1 1 65 65 THR H H . . . 1 1 65 65 THR HB H . . . . . . . 3.91 . . . . . A . 65 THR H . . A . 65 THR HB . . . 65 THR HN . . . . . 65 THR HB . . rr_1daq 1 824 1 OR . 1 1 65 65 THR H H . . . 1 1 66 66 LEU HB2 H . . . . . . . 5.51 . . . . . A . 65 THR H . . A . 66 LEU HB2 . . . 65 THR HN . . . . . 66 LEU QB . . rr_1daq 1 824 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 65 65 THR H H . . . . . . . 5.51 . . . . . A . 66 LEU HB3 . . A . 65 THR H . . . 66 LEU QB . . . . . 65 THR HN . . rr_1daq 1 825 1 OR . 1 1 65 65 THR HA H . . . 1 1 66 66 LEU HB2 H . . . . . . . 5.94 . . . . . A . 65 THR HA . . A . 66 LEU HB2 . . . 65 THR HA . . . . . 66 LEU QB . . rr_1daq 1 825 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 65 65 THR HA H . . . . . . . 5.94 . . . . . A . 66 LEU HB3 . . A . 65 THR HA . . . 66 LEU QB . . . . . 65 THR HA . . rr_1daq 1 826 1 . . 1 1 68 68 TYR QD H . . . 1 1 65 65 THR HA H . . . . . . . 8.07 . . . . . A . 68 TYR QD . . A . 65 THR HA . . . 68 TYR QD . . . . . 65 THR HA . . rr_1daq 1 827 1 . . 1 1 66 66 LEU H H . . . 1 1 65 65 THR HB H . . . . . . . 4.20 . . . . . A . 66 LEU H . . A . 65 THR HB . . . 66 LEU HN . . . . . 65 THR HB . . rr_1daq 1 828 1 . . 1 1 65 65 THR MG H . . . 1 1 66 66 LEU H H . . . . . . . 7.03 . . . . . A . 65 THR MG . . A . 66 LEU H . . . 65 THR QG2 . . . . . 66 LEU HN . . rr_1daq 1 829 1 . . 1 1 68 68 TYR QD H . . . 1 1 65 65 THR MG H . . . . . . . 9.17 . . . . . A . 68 TYR QD . . A . 65 THR MG . . . 68 TYR QD . . . . . 65 THR QG2 . . rr_1daq 1 830 1 OR . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU HB2 H . . . . . . . 3.75 . . . . . A . 66 LEU H . . A . 66 LEU HB2 . . . 66 LEU HN . . . . . 66 LEU QB . . rr_1daq 1 830 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 66 66 LEU H H . . . . . . . 3.75 . . . . . A . 66 LEU HB3 . . A . 66 LEU H . . . 66 LEU QB . . . . . 66 LEU HN . . rr_1daq 1 831 1 . . 1 1 66 66 LEU HG H . . . 1 1 66 66 LEU H H . . . . . . . 4.67 . . . . . A . 66 LEU HG . . A . 66 LEU H . . . 66 LEU HG . . . . . 66 LEU HN . . rr_1daq 1 832 1 . . 1 1 66 66 LEU MD1 H . . . 1 1 66 66 LEU H H . . . . . . . 7.03 . . . . . A . 66 LEU MD1 . . A . 66 LEU H . . . 66 LEU QD1 . . . . . 66 LEU HN . . rr_1daq 1 833 1 . . 1 1 66 66 LEU H H . . . 1 1 66 66 LEU MD2 H . . . . . . . 7.03 . . . . . A . 66 LEU H . . A . 66 LEU MD2 . . . 66 LEU HN . . . . . 66 LEU QD2 . . rr_1daq 1 834 1 . . 1 1 66 66 LEU MD1 H . . . 1 1 66 66 LEU HA H . . . . . . . 6.06 . . . . . A . 66 LEU MD1 . . A . 66 LEU HA . . . 66 LEU QD1 . . . . . 66 LEU HA . . rr_1daq 1 835 1 . . 1 1 66 66 LEU HA H . . . 1 1 66 66 LEU MD2 H . . . . . . . 6.06 . . . . . A . 66 LEU HA . . A . 66 LEU MD2 . . . 66 LEU HA . . . . . 66 LEU QD2 . . rr_1daq 1 836 1 . . 1 1 68 68 TYR H H . . . 1 1 66 66 LEU HA H . . . . . . . 4.02 . . . . . A . 68 TYR H . . A . 66 LEU HA . . . 68 TYR HN . . . . . 66 LEU HA . . rr_1daq 1 837 1 OR . 1 1 68 68 TYR QD H . . . 1 1 66 66 LEU HB2 H . . . . . . . 9.02 . . . . . A . 68 TYR QD . . A . 66 LEU HB2 . . . 68 TYR QD . . . . . 66 LEU QB . . rr_1daq 1 837 2 OR . 1 1 66 66 LEU HB3 H . . . 1 1 68 68 TYR QD H . . . . . . . 9.02 . . . . . A . 66 LEU HB3 . . A . 68 TYR QD . . . 66 LEU QB . . . . . 68 TYR QD . . rr_1daq 1 838 1 . . 1 1 66 66 LEU HG H . . . 1 1 68 68 TYR HB2 H . . . . . . . 6.00 . . . . . A . 66 LEU HG . . A . 68 TYR HB2 . . . 66 LEU HG . . . . . 68 TYR HB2 . . rr_1daq 1 839 1 . . 1 1 66 66 LEU HG H . . . 1 1 68 68 TYR HB3 H . . . . . . . 6.00 . . . . . A . 66 LEU HG . . A . 68 TYR HB3 . . . 66 LEU HG . . . . . 68 TYR HB3 . . rr_1daq 1 840 1 . . 1 1 66 66 LEU HG H . . . 1 1 68 68 TYR QD H . . . . . . . 8.14 . . . . . A . 66 LEU HG . . A . 68 TYR QD . . . 66 LEU HG . . . . . 68 TYR QD . . rr_1daq 1 841 1 . . 1 1 66 66 LEU HG H . . . 1 1 68 68 TYR QE H . . . . . . . 8.13 . . . . . A . 66 LEU HG . . A . 68 TYR QE . . . 66 LEU HG . . . . . 68 TYR QE . . rr_1daq 1 842 1 . . 1 1 66 66 LEU MD1 H . . . 1 1 68 68 TYR HB2 H . . . . . . . 10.17 . . . . . A . 66 LEU MD1 . . A . 68 TYR HB2 . . . 66 LEU QD1 . . . . . 68 TYR HB2 . . rr_1daq 1 843 1 . . 1 1 66 66 LEU MD1 H . . . 1 1 68 68 TYR HB3 H . . . . . . . 10.17 . . . . . A . 66 LEU MD1 . . A . 68 TYR HB3 . . . 66 LEU QD1 . . . . . 68 TYR HB3 . . rr_1daq 1 844 1 . . 1 1 68 68 TYR HB2 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 10.17 . . . . . A . 68 TYR HB2 . . A . 66 LEU MD2 . . . 68 TYR HB2 . . . . . 66 LEU QD2 . . rr_1daq 1 845 1 . . 1 1 66 66 LEU MD2 H . . . 1 1 68 68 TYR HB3 H . . . . . . . 10.17 . . . . . A . 66 LEU MD2 . . A . 68 TYR HB3 . . . 66 LEU QD2 . . . . . 68 TYR HB3 . . rr_1daq 1 846 1 OR . 1 1 68 68 TYR H H . . . 1 1 66 66 LEU MD2 H . . . . . . . 7.88 . . . . . A . 68 TYR H . . A . 66 LEU MD2 . . . 68 TYR HN . . . . . 66 LEU QQD . . rr_1daq 1 846 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 68 68 TYR H H . . . . . . . 7.88 . . . . . A . 66 LEU MD1 . . A . 68 TYR H . . . 66 LEU QQD . . . . . 68 TYR HN . . rr_1daq 1 847 1 OR . 1 1 66 66 LEU MD2 H . . . 1 1 68 68 TYR HB3 H . . . . . . . 8.30 . . . . . A . 66 LEU MD2 . . A . 68 TYR HB3 . . . 66 LEU QQD . . . . . 68 TYR QB . . rr_1daq 1 847 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 68 68 TYR HB3 H . . . . . . . 8.30 . . . . . A . 66 LEU MD1 . . A . 68 TYR HB3 . . . 66 LEU QQD . . . . . 68 TYR QB . . rr_1daq 1 847 3 OR . 1 1 68 68 TYR HB2 H . . . 1 1 66 66 LEU MD2 H . . . . . . . 8.30 . . . . . A . 68 TYR HB2 . . A . 66 LEU MD2 . . . 68 TYR QB . . . . . 66 LEU QQD . . rr_1daq 1 847 4 OR . 1 1 66 66 LEU MD1 H . . . 1 1 68 68 TYR HB2 H . . . . . . . 8.30 . . . . . A . 66 LEU MD1 . . A . 68 TYR HB2 . . . 66 LEU QQD . . . . . 68 TYR QB . . rr_1daq 1 848 1 OR . 1 1 68 68 TYR QD H . . . 1 1 66 66 LEU MD2 H . . . . . . . 10.74 . . . . . A . 68 TYR QD . . A . 66 LEU MD2 . . . 68 TYR QD . . . . . 66 LEU QQD . . rr_1daq 1 848 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 68 68 TYR QD H . . . . . . . 10.74 . . . . . A . 66 LEU MD1 . . A . 68 TYR QD . . . 66 LEU QQD . . . . . 68 TYR QD . . rr_1daq 1 849 1 OR . 1 1 68 68 TYR QE H . . . 1 1 66 66 LEU MD2 H . . . . . . . 10.73 . . . . . A . 68 TYR QE . . A . 66 LEU MD2 . . . 68 TYR QE . . . . . 66 LEU QQD . . rr_1daq 1 849 2 OR . 1 1 66 66 LEU MD1 H . . . 1 1 68 68 TYR QE H . . . . . . . 10.73 . . . . . A . 66 LEU MD1 . . A . 68 TYR QE . . . 66 LEU QQD . . . . . 68 TYR QE . . rr_1daq 1 850 1 OR . 1 1 68 68 TYR H H . . . 1 1 68 68 TYR HB3 H . . . . . . . 3.72 . . . . . A . 68 TYR H . . A . 68 TYR HB3 . . . 68 TYR HN . . . . . 68 TYR QB . . rr_1daq 1 850 2 OR . 1 1 68 68 TYR H H . . . 1 1 68 68 TYR HB2 H . . . . . . . 3.72 . . . . . A . 68 TYR H . . A . 68 TYR HB2 . . . 68 TYR HN . . . . . 68 TYR QB . . rr_1daq 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1daq _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER HYDROLASE 31-OCT-99 1DAQ *TITLE SOLUTION STRUCTURE OF THE TYPE I DOCKERIN DOMAIN FROM THE *TITLE 2 CLOSTRIDIUM THERMOCELLUM CELLULOSOME (MINIMIZED AVERAGE *TITLE 3 STRUCTURE) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ENDOGLUCANASE SS; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: TYPE I DOCKERIN DOMAIN (RESIDUES 673-741); *COMPND 5 EC: 3.2.1.4; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PCYB2 *KEYWDS CELLULOSE DEGRADATION, CELLULOSOME, EF-HAND CALCIUM-BINDING *KEYWDS 2 SITE *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR B.L.LYTLE, B.F.VOLKMAN, W.M.WESTLER, M.P.HECKMAN, J.H.D.WU *REVDAT 1 04-APR-01 1DAQ 0' save_