data_Remediated_restraints_file_for_PDB_entry_2kk9 # This BMRB archive file contains, for PDB entry 2kk9: # # - 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_2kk9 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 2kk9' _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 2kk9' _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 2kk9 'Master copy' rr_2kk9 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_2kk9 _Assembly.ID 1 _Assembly.Name 2kk9 _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 6370.1989 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 'M protein serotype 5' 1 $M_protein__serotype_5 A . no . . . . . . rr_2kk9 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M_protein__serotype_5 _Entity.Sf_category entity _Entity.Sf_framecode M_protein__serotype_5 _Entity.Entry_ID rr_2kk9 _Entity.ID 1 _Entity.Name M_protein__serotype_5 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; KGLRRDLDASREAKKQLEAE QQKLEEQNKISEASRKGLRR DLDASREAKKQVEKAX ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Number_of_monomers 56 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 6370.1989 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 . LYS . rr_2kk9 1 2 . GLY . rr_2kk9 1 3 . LEU . rr_2kk9 1 4 . ARG . rr_2kk9 1 5 . ARG . rr_2kk9 1 6 . ASP . rr_2kk9 1 7 . LEU . rr_2kk9 1 8 . ASP . rr_2kk9 1 9 . ALA . rr_2kk9 1 10 . SER . rr_2kk9 1 11 . ARG . rr_2kk9 1 12 . GLU . rr_2kk9 1 13 . ALA . rr_2kk9 1 14 . LYS . rr_2kk9 1 15 . LYS . rr_2kk9 1 16 . GLN . rr_2kk9 1 17 . LEU . rr_2kk9 1 18 . GLU . rr_2kk9 1 19 . ALA . rr_2kk9 1 20 . GLU . rr_2kk9 1 21 . GLN . rr_2kk9 1 22 . GLN . rr_2kk9 1 23 . LYS . rr_2kk9 1 24 . LEU . rr_2kk9 1 25 . GLU . rr_2kk9 1 26 . GLU . rr_2kk9 1 27 . GLN . rr_2kk9 1 28 . ASN . rr_2kk9 1 29 . LYS . rr_2kk9 1 30 . ILE . rr_2kk9 1 31 . SER . rr_2kk9 1 32 . GLU . rr_2kk9 1 33 . ALA . rr_2kk9 1 34 . SER . rr_2kk9 1 35 . ARG . rr_2kk9 1 36 . LYS . rr_2kk9 1 37 . GLY . rr_2kk9 1 38 . LEU . rr_2kk9 1 39 . ARG . rr_2kk9 1 40 . ARG . rr_2kk9 1 41 . ASP . rr_2kk9 1 42 . LEU . rr_2kk9 1 43 . ASP . rr_2kk9 1 44 . ALA . rr_2kk9 1 45 . SER . rr_2kk9 1 46 . ARG . rr_2kk9 1 47 . GLU . rr_2kk9 1 48 . ALA . rr_2kk9 1 49 . LYS . rr_2kk9 1 50 . LYS . rr_2kk9 1 51 . GLN . rr_2kk9 1 52 . VAL . rr_2kk9 1 53 . GLU . rr_2kk9 1 54 . LYS . rr_2kk9 1 55 . ALA . rr_2kk9 1 56 . NH2 . rr_2kk9 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 . LYS 1 1 rr_2kk9 1 . GLY 2 2 rr_2kk9 1 . LEU 3 3 rr_2kk9 1 . ARG 4 4 rr_2kk9 1 . ARG 5 5 rr_2kk9 1 . ASP 6 6 rr_2kk9 1 . LEU 7 7 rr_2kk9 1 . ASP 8 8 rr_2kk9 1 . ALA 9 9 rr_2kk9 1 . SER 10 10 rr_2kk9 1 . ARG 11 11 rr_2kk9 1 . GLU 12 12 rr_2kk9 1 . ALA 13 13 rr_2kk9 1 . LYS 14 14 rr_2kk9 1 . LYS 15 15 rr_2kk9 1 . GLN 16 16 rr_2kk9 1 . LEU 17 17 rr_2kk9 1 . GLU 18 18 rr_2kk9 1 . ALA 19 19 rr_2kk9 1 . GLU 20 20 rr_2kk9 1 . GLN 21 21 rr_2kk9 1 . GLN 22 22 rr_2kk9 1 . LYS 23 23 rr_2kk9 1 . LEU 24 24 rr_2kk9 1 . GLU 25 25 rr_2kk9 1 . GLU 26 26 rr_2kk9 1 . GLN 27 27 rr_2kk9 1 . ASN 28 28 rr_2kk9 1 . LYS 29 29 rr_2kk9 1 . ILE 30 30 rr_2kk9 1 . SER 31 31 rr_2kk9 1 . GLU 32 32 rr_2kk9 1 . ALA 33 33 rr_2kk9 1 . SER 34 34 rr_2kk9 1 . ARG 35 35 rr_2kk9 1 . LYS 36 36 rr_2kk9 1 . GLY 37 37 rr_2kk9 1 . LEU 38 38 rr_2kk9 1 . ARG 39 39 rr_2kk9 1 . ARG 40 40 rr_2kk9 1 . ASP 41 41 rr_2kk9 1 . LEU 42 42 rr_2kk9 1 . ASP 43 43 rr_2kk9 1 . ALA 44 44 rr_2kk9 1 . SER 45 45 rr_2kk9 1 . ARG 46 46 rr_2kk9 1 . GLU 47 47 rr_2kk9 1 . ALA 48 48 rr_2kk9 1 . LYS 49 49 rr_2kk9 1 . LYS 50 50 rr_2kk9 1 . GLN 51 51 rr_2kk9 1 . VAL 52 52 rr_2kk9 1 . GLU 53 53 rr_2kk9 1 . LYS 54 54 rr_2kk9 1 . ALA 55 55 rr_2kk9 1 . NH2 56 56 rr_2kk9 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID rr_2kk9 _Chem_comp.ID NH2 _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type non-polymer _Chem_comp.PDB_code NH2 _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.0225 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_2kk9 _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_2kk9 _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_2kk9 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_2kk9 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 LYS C C 12.787 -24.553 0.974 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . rr_2kk9 1 . 1 . 2 . 1 1 1 LYS CA C 13.075 -25.638 -0.121 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . rr_2kk9 1 . 1 . 3 . 1 1 1 LYS CB C 14.471 -25.459 -0.799 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . rr_2kk9 1 . 1 . 4 . 1 1 1 LYS CD C 15.229 -27.978 -1.012 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . rr_2kk9 1 . 1 . 5 . 1 1 1 LYS CE C 16.377 -27.978 0.017 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . rr_2kk9 1 . 1 . 6 . 1 1 1 LYS CG C 14.977 -26.617 -1.698 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . rr_2kk9 1 . 1 . 7 . 1 1 1 LYS H1 H 11.105 -25.842 -0.740 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . rr_2kk9 1 . 1 . 8 . 1 1 1 LYS H2 H 12.183 -26.420 -1.824 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . rr_2kk9 1 . 1 . 9 . 1 1 1 LYS HA H 13.012 -26.637 0.361 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . rr_2kk9 1 . 1 . 10 . 1 1 1 LYS HB2 H 14.474 -24.526 -1.399 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . rr_2kk9 1 . 1 . 11 . 1 1 1 LYS HB3 H 15.245 -25.271 -0.031 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . rr_2kk9 1 . 1 . 12 . 1 1 1 LYS HD2 H 14.295 -28.337 -0.541 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . rr_2kk9 1 . 1 . 13 . 1 1 1 LYS HD3 H 15.454 -28.718 -1.803 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . rr_2kk9 1 . 1 . 14 . 1 1 1 LYS HE2 H 17.315 -27.625 -0.452 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . rr_2kk9 1 . 1 . 15 . 1 1 1 LYS HE3 H 16.160 -27.277 0.844 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . rr_2kk9 1 . 1 . 16 . 1 1 1 LYS HG2 H 14.260 -26.768 -2.526 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . rr_2kk9 1 . 1 . 17 . 1 1 1 LYS HG3 H 15.909 -26.293 -2.198 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . rr_2kk9 1 . 1 . 18 . 1 1 1 LYS HZ1 H 17.385 -29.303 1.238 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . rr_2kk9 1 . 1 . 19 . 1 1 1 LYS HZ2 H 16.875 -29.973 -0.163 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . rr_2kk9 1 . 1 . 20 . 1 1 1 LYS N N 12.019 -25.650 -1.165 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . rr_2kk9 1 . 1 . 21 . 1 1 1 LYS NZ N 16.598 -29.322 0.580 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . rr_2kk9 1 . 1 . 22 . 1 1 1 LYS O O 11.852 -23.750 0.854 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . rr_2kk9 1 . 1 . 23 . 1 1 2 GLY C C 12.222 -23.843 4.121 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_2kk9 1 . 1 . 24 . 1 1 2 GLY CA C 13.412 -23.562 3.173 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_2kk9 1 . 1 . 25 . 1 1 2 GLY H H 14.462 -25.058 2.009 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_2kk9 1 . 1 . 26 . 1 1 2 GLY HA2 H 14.356 -23.512 3.756 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_2kk9 1 . 1 . 27 . 1 1 2 GLY HA3 H 13.305 -22.552 2.733 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_2kk9 1 . 1 . 28 . 1 1 2 GLY N N 13.583 -24.537 2.070 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_2kk9 1 . 1 . 29 . 1 1 2 GLY O O 11.327 -22.999 4.222 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_2kk9 1 . 1 . 30 . 1 1 3 LEU C C 11.627 -25.245 7.241 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_2kk9 1 . 1 . 31 . 1 1 3 LEU CA C 11.143 -25.385 5.766 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_2kk9 1 . 1 . 32 . 1 1 3 LEU CB C 10.682 -26.829 5.402 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_2kk9 1 . 1 . 33 . 1 1 3 LEU CD1 C 9.815 -28.500 3.734 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_2kk9 1 . 1 . 34 . 1 1 3 LEU CD2 C 8.784 -26.196 3.748 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_2kk9 1 . 1 . 35 . 1 1 3 LEU CG C 10.070 -27.013 3.984 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_2kk9 1 . 1 . 36 . 1 1 3 LEU H H 12.898 -25.706 4.531 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_2kk9 1 . 1 . 37 . 1 1 3 LEU HA H 10.256 -24.730 5.632 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_2kk9 1 . 1 . 38 . 1 1 3 LEU HB2 H 11.540 -27.529 5.519 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 39 . 1 1 3 LEU HB3 H 9.953 -27.193 6.154 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 40 . 1 1 3 LEU HD11 H 9.082 -28.906 4.455 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_2kk9 1 . 1 . 41 . 1 1 3 LEU HD12 H 10.752 -29.077 3.838 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_2kk9 1 . 1 . 42 . 1 1 3 LEU HD13 H 9.431 -28.668 2.713 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_2kk9 1 . 1 . 43 . 1 1 3 LEU HD21 H 8.001 -26.433 4.491 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_2kk9 1 . 1 . 44 . 1 1 3 LEU HD22 H 8.978 -25.109 3.804 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_2kk9 1 . 1 . 45 . 1 1 3 LEU HD23 H 8.363 -26.384 2.743 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_2kk9 1 . 1 . 46 . 1 1 3 LEU HG H 10.812 -26.688 3.230 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_2kk9 1 . 1 . 47 . 1 1 3 LEU N N 12.227 -24.995 4.824 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_2kk9 1 . 1 . 48 . 1 1 3 LEU O O 11.792 -26.231 7.967 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_2kk9 1 . 1 . 49 . 1 1 4 ARG C C 11.508 -22.365 9.495 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . rr_2kk9 1 . 1 . 50 . 1 1 4 ARG CA C 12.268 -23.645 9.050 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . rr_2kk9 1 . 1 . 51 . 1 1 4 ARG CB C 13.813 -23.464 9.170 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . rr_2kk9 1 . 1 . 52 . 1 1 4 ARG CD C 14.537 -25.669 10.338 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . rr_2kk9 1 . 1 . 53 . 1 1 4 ARG CG C 14.686 -24.739 9.113 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . rr_2kk9 1 . 1 . 54 . 1 1 4 ARG CZ C 16.693 -26.870 10.832 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . rr_2kk9 1 . 1 . 55 . 1 1 4 ARG H H 11.753 -23.288 6.921 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . rr_2kk9 1 . 1 . 56 . 1 1 4 ARG HA H 11.982 -24.455 9.750 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . rr_2kk9 1 . 1 . 57 . 1 1 4 ARG HB2 H 14.159 -22.765 8.383 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . rr_2kk9 1 . 1 . 58 . 1 1 4 ARG HB3 H 14.044 -22.943 10.119 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . rr_2kk9 1 . 1 . 59 . 1 1 4 ARG HD2 H 14.666 -25.097 11.277 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . rr_2kk9 1 . 1 . 60 . 1 1 4 ARG HD3 H 13.505 -26.062 10.383 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . rr_2kk9 1 . 1 . 61 . 1 1 4 ARG HG2 H 14.481 -25.297 8.180 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . rr_2kk9 1 . 1 . 62 . 1 1 4 ARG HG3 H 15.742 -24.421 9.033 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . rr_2kk9 1 . 1 . 63 . 1 1 4 ARG HH11 H 16.694 -24.996 11.565 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . rr_2kk9 1 . 1 . 64 . 1 1 4 ARG HH12 H 18.197 -26.008 11.855 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . rr_2kk9 1 . 1 . 65 . 1 1 4 ARG HH21 H 16.938 -28.756 10.206 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . rr_2kk9 1 . 1 . 66 . 1 1 4 ARG HH22 H 18.323 -27.992 11.137 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . rr_2kk9 1 . 1 . 67 . 1 1 4 ARG N N 11.845 -23.986 7.665 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . rr_2kk9 1 . 1 . 68 . 1 1 4 ARG NE N 15.460 -26.831 10.286 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . rr_2kk9 1 . 1 . 69 . 1 1 4 ARG NH1 N 17.253 -25.853 11.484 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . rr_2kk9 1 . 1 . 70 . 1 1 4 ARG NH2 N 17.389 -27.986 10.712 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . rr_2kk9 1 . 1 . 71 . 1 1 4 ARG O O 12.006 -21.243 9.350 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . rr_2kk9 1 . 1 . 72 . 1 1 5 ARG C C 8.929 -21.843 11.987 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . rr_2kk9 1 . 1 . 73 . 1 1 5 ARG CA C 9.444 -21.452 10.561 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . rr_2kk9 1 . 1 . 74 . 1 1 5 ARG CB C 8.324 -21.167 9.509 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . rr_2kk9 1 . 1 . 75 . 1 1 5 ARG CD C 8.435 -18.591 9.267 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . rr_2kk9 1 . 1 . 76 . 1 1 5 ARG CG C 7.587 -19.817 9.665 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . rr_2kk9 1 . 1 . 77 . 1 1 5 ARG CZ C 8.091 -16.135 8.902 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . rr_2kk9 1 . 1 . 78 . 1 1 5 ARG H H 9.934 -23.518 9.945 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . rr_2kk9 1 . 1 . 79 . 1 1 5 ARG HA H 10.060 -20.537 10.706 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . rr_2kk9 1 . 1 . 80 . 1 1 5 ARG HB2 H 8.703 -21.233 8.465 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . rr_2kk9 1 . 1 . 81 . 1 1 5 ARG HB3 H 7.584 -21.988 9.563 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . rr_2kk9 1 . 1 . 82 . 1 1 5 ARG HD2 H 9.305 -18.493 9.943 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . rr_2kk9 1 . 1 . 83 . 1 1 5 ARG HD3 H 8.846 -18.738 8.250 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . rr_2kk9 1 . 1 . 84 . 1 1 5 ARG HG2 H 6.681 -19.851 9.030 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . rr_2kk9 1 . 1 . 85 . 1 1 5 ARG HG3 H 7.213 -19.706 10.700 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . rr_2kk9 1 . 1 . 86 . 1 1 5 ARG HH11 H 9.937 -16.737 8.368 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . rr_2kk9 1 . 1 . 87 . 1 1 5 ARG HH12 H 9.540 -14.959 8.147 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . rr_2kk9 1 . 1 . 88 . 1 1 5 ARG HH21 H 6.332 -15.292 9.353 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . rr_2kk9 1 . 1 . 89 . 1 1 5 ARG HH22 H 7.637 -14.199 8.668 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . rr_2kk9 1 . 1 . 90 . 1 1 5 ARG N N 10.290 -22.561 10.035 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . rr_2kk9 1 . 1 . 91 . 1 1 5 ARG NE N 7.639 -17.340 9.306 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . rr_2kk9 1 . 1 . 92 . 1 1 5 ARG NH1 N 9.316 -15.921 8.423 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . rr_2kk9 1 . 1 . 93 . 1 1 5 ARG NH2 N 7.270 -15.104 8.983 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . rr_2kk9 1 . 1 . 94 . 1 1 5 ARG O O 7.725 -21.982 12.224 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . rr_2kk9 1 . 1 . 95 . 1 1 6 ASP C C 10.929 -22.190 15.190 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . rr_2kk9 1 . 1 . 96 . 1 1 6 ASP CA C 9.627 -22.372 14.351 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . rr_2kk9 1 . 1 . 97 . 1 1 6 ASP CB C 8.952 -23.763 14.557 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . rr_2kk9 1 . 1 . 98 . 1 1 6 ASP CG C 9.684 -25.015 14.036 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . rr_2kk9 1 . 1 . 99 . 1 1 6 ASP H H 10.836 -21.871 12.615 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . rr_2kk9 1 . 1 . 100 . 1 1 6 ASP HA H 8.920 -21.621 14.731 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . rr_2kk9 1 . 1 . 101 . 1 1 6 ASP HB2 H 8.737 -23.886 15.633 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . rr_2kk9 1 . 1 . 102 . 1 1 6 ASP HB3 H 7.956 -23.745 14.080 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . rr_2kk9 1 . 1 . 103 . 1 1 6 ASP HD2 H 10.028 -25.389 15.915 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HD2 . . . . . . . . . rr_2kk9 1 . 1 . 104 . 1 1 6 ASP N N 9.877 -22.001 12.934 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . rr_2kk9 1 . 1 . 105 . 1 1 6 ASP O O 10.916 -21.458 16.185 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . rr_2kk9 1 . 1 . 106 . 1 1 6 ASP OD1 O 9.780 -25.296 12.842 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . rr_2kk9 1 . 1 . 107 . 1 1 6 ASP OD2 O 10.210 -25.770 15.053 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . rr_2kk9 1 . 1 . 108 . 1 1 7 LEU C C 14.023 -21.330 15.302 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2kk9 1 . 1 . 109 . 1 1 7 LEU CA C 13.368 -22.738 15.456 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2kk9 1 . 1 . 110 . 1 1 7 LEU CB C 14.328 -23.870 14.979 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2kk9 1 . 1 . 111 . 1 1 7 LEU CD1 C 14.881 -26.321 14.547 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2kk9 1 . 1 . 112 . 1 1 7 LEU CD2 C 13.738 -25.703 16.712 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2kk9 1 . 1 . 113 . 1 1 7 LEU CG C 13.893 -25.347 15.219 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2kk9 1 . 1 . 114 . 1 1 7 LEU H H 11.893 -23.401 13.937 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2kk9 1 . 1 . 115 . 1 1 7 LEU HA H 13.207 -22.882 16.537 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2kk9 1 . 1 . 116 . 1 1 7 LEU HB2 H 14.520 -23.730 13.897 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 117 . 1 1 7 LEU HB3 H 15.317 -23.720 15.456 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 118 . 1 1 7 LEU HD11 H 15.902 -26.236 14.964 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2kk9 1 . 1 . 119 . 1 1 7 LEU HD12 H 14.563 -27.374 14.665 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2kk9 1 . 1 . 120 . 1 1 7 LEU HD13 H 14.956 -26.137 13.460 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2kk9 1 . 1 . 121 . 1 1 7 LEU HD21 H 12.956 -25.093 17.200 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2kk9 1 . 1 . 122 . 1 1 7 LEU HD22 H 13.440 -26.760 16.851 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2kk9 1 . 1 . 123 . 1 1 7 LEU HD23 H 14.676 -25.549 17.276 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2kk9 1 . 1 . 124 . 1 1 7 LEU HG H 12.913 -25.503 14.733 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2kk9 1 . 1 . 125 . 1 1 7 LEU N N 12.039 -22.847 14.787 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2kk9 1 . 1 . 126 . 1 1 7 LEU O O 14.462 -20.753 16.301 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2kk9 1 . 1 . 127 . 1 1 8 ASP C C 13.730 -18.279 14.345 . . . 1.0 . . . . . . . . . . . . A . 8 ASP C . . . . . . . . . rr_2kk9 1 . 1 . 128 . 1 1 8 ASP CA C 14.627 -19.434 13.782 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CA . . . . . . . . . rr_2kk9 1 . 1 . 129 . 1 1 8 ASP CB C 14.893 -19.318 12.255 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CB . . . . . . . . . rr_2kk9 1 . 1 . 130 . 1 1 8 ASP CG C 15.664 -18.060 11.826 . . . 1.0 . . . . . . . . . . . . A . 8 ASP CG . . . . . . . . . rr_2kk9 1 . 1 . 131 . 1 1 8 ASP H H 13.665 -21.387 13.343 . . . 1.0 . . . . . . . . . . . . A . 8 ASP H . . . . . . . . . rr_2kk9 1 . 1 . 132 . 1 1 8 ASP HA H 15.613 -19.366 14.284 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HA . . . . . . . . . rr_2kk9 1 . 1 . 133 . 1 1 8 ASP HB2 H 15.478 -20.191 11.909 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB2 . . . . . . . . . rr_2kk9 1 . 1 . 134 . 1 1 8 ASP HB3 H 13.941 -19.376 11.692 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HB3 . . . . . . . . . rr_2kk9 1 . 1 . 135 . 1 1 8 ASP HD2 H 13.905 -17.312 11.455 . . . 1.0 . . . . . . . . . . . . A . 8 ASP HD2 . . . . . . . . . rr_2kk9 1 . 1 . 136 . 1 1 8 ASP N N 14.076 -20.788 14.067 . . . 1.0 . . . . . . . . . . . . A . 8 ASP N . . . . . . . . . rr_2kk9 1 . 1 . 137 . 1 1 8 ASP O O 14.262 -17.392 15.017 . . . 1.0 . . . . . . . . . . . . A . 8 ASP O . . . . . . . . . rr_2kk9 1 . 1 . 138 . 1 1 8 ASP OD1 O 16.891 -17.974 11.860 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD1 . . . . . . . . . rr_2kk9 1 . 1 . 139 . 1 1 8 ASP OD2 O 14.829 -17.054 11.411 . . . 1.0 . . . . . . . . . . . . A . 8 ASP OD2 . . . . . . . . . rr_2kk9 1 . 1 . 140 . 1 1 9 ALA C C 11.656 -15.829 14.023 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . rr_2kk9 1 . 1 . 141 . 1 1 9 ALA CA C 11.424 -17.279 14.577 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . rr_2kk9 1 . 1 . 142 . 1 1 9 ALA CB C 11.292 -17.349 16.120 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . rr_2kk9 1 . 1 . 143 . 1 1 9 ALA H H 12.094 -19.078 13.492 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . rr_2kk9 1 . 1 . 144 . 1 1 9 ALA HA H 10.425 -17.613 14.232 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . rr_2kk9 1 . 1 . 145 . 1 1 9 ALA HB1 H 12.212 -17.019 16.639 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . rr_2kk9 1 . 1 . 146 . 1 1 9 ALA HB2 H 10.469 -16.706 16.483 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . rr_2kk9 1 . 1 . 147 . 1 1 9 ALA HB3 H 11.069 -18.376 16.468 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . rr_2kk9 1 . 1 . 148 . 1 1 9 ALA N N 12.401 -18.288 14.072 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . rr_2kk9 1 . 1 . 149 . 1 1 9 ALA O O 11.886 -14.897 14.801 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . rr_2kk9 1 . 1 . 150 . 1 1 10 SER C C 10.331 -13.621 11.920 . . . 1.0 . . . . . . . . . . . . A . 10 SER C . . . . . . . . . rr_2kk9 1 . 1 . 151 . 1 1 10 SER CA C 11.732 -14.294 12.051 . . . 1.0 . . . . . . . . . . . . A . 10 SER CA . . . . . . . . . rr_2kk9 1 . 1 . 152 . 1 1 10 SER CB C 12.459 -14.506 10.702 . . . 1.0 . . . . . . . . . . . . A . 10 SER CB . . . . . . . . . rr_2kk9 1 . 1 . 153 . 1 1 10 SER H H 11.566 -16.467 12.088 . . . 1.0 . . . . . . . . . . . . A . 10 SER H . . . . . . . . . rr_2kk9 1 . 1 . 154 . 1 1 10 SER HA H 12.408 -13.640 12.651 . . . 1.0 . . . . . . . . . . . . A . 10 SER HA . . . . . . . . . rr_2kk9 1 . 1 . 155 . 1 1 10 SER HB2 H 13.374 -15.114 10.837 . . . 1.0 . . . . . . . . . . . . A . 10 SER HB2 . . . . . . . . . rr_2kk9 1 . 1 . 156 . 1 1 10 SER HB3 H 11.829 -15.060 9.981 . . . 1.0 . . . . . . . . . . . . A . 10 SER HB3 . . . . . . . . . rr_2kk9 1 . 1 . 157 . 1 1 10 SER HG H 13.309 -13.476 9.322 . . . 1.0 . . . . . . . . . . . . A . 10 SER HG . . . . . . . . . rr_2kk9 1 . 1 . 158 . 1 1 10 SER N N 11.576 -15.631 12.684 . . . 1.0 . . . . . . . . . . . . A . 10 SER N . . . . . . . . . rr_2kk9 1 . 1 . 159 . 1 1 10 SER O O 9.571 -13.885 10.984 . . . 1.0 . . . . . . . . . . . . A . 10 SER O . . . . . . . . . rr_2kk9 1 . 1 . 160 . 1 1 10 SER OG O 12.844 -13.263 10.135 . . . 1.0 . . . . . . . . . . . . A . 10 SER OG . . . . . . . . . rr_2kk9 1 . 1 . 161 . 1 1 11 ARG C C 9.139 -10.514 13.198 . . . 1.0 . . . . . . . . . . . . A . 11 ARG C . . . . . . . . . rr_2kk9 1 . 1 . 162 . 1 1 11 ARG CA C 8.734 -11.986 12.976 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CA . . . . . . . . . rr_2kk9 1 . 1 . 163 . 1 1 11 ARG CB C 7.768 -12.502 14.087 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CB . . . . . . . . . rr_2kk9 1 . 1 . 164 . 1 1 11 ARG CD C 6.072 -13.875 12.667 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CD . . . . . . . . . rr_2kk9 1 . 1 . 165 . 1 1 11 ARG CG C 7.103 -13.873 13.813 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CG . . . . . . . . . rr_2kk9 1 . 1 . 166 . 1 1 11 ARG CZ C 4.557 -15.537 11.560 . . . 1.0 . . . . . . . . . . . . A . 11 ARG CZ . . . . . . . . . rr_2kk9 1 . 1 . 167 . 1 1 11 ARG H H 10.729 -12.673 13.630 . . . 1.0 . . . . . . . . . . . . A . 11 ARG H . . . . . . . . . rr_2kk9 1 . 1 . 168 . 1 1 11 ARG HA H 8.259 -11.998 11.972 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HA . . . . . . . . . rr_2kk9 1 . 1 . 169 . 1 1 11 ARG HB2 H 8.333 -12.582 15.035 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB2 . . . . . . . . . rr_2kk9 1 . 1 . 170 . 1 1 11 ARG HB3 H 6.972 -11.762 14.323 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HB3 . . . . . . . . . rr_2kk9 1 . 1 . 171 . 1 1 11 ARG HD2 H 5.258 -13.159 12.892 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD2 . . . . . . . . . rr_2kk9 1 . 1 . 172 . 1 1 11 ARG HD3 H 6.543 -13.529 11.727 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HD3 . . . . . . . . . rr_2kk9 1 . 1 . 173 . 1 1 11 ARG HG2 H 7.889 -14.629 13.621 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG2 . . . . . . . . . rr_2kk9 1 . 1 . 174 . 1 1 11 ARG HG3 H 6.606 -14.206 14.744 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HG3 . . . . . . . . . rr_2kk9 1 . 1 . 175 . 1 1 11 ARG HH11 H 4.302 -13.675 10.840 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH11 . . . . . . . . . rr_2kk9 1 . 1 . 176 . 1 1 11 ARG HH12 H 3.267 -15.003 10.110 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH12 . . . . . . . . . rr_2kk9 1 . 1 . 177 . 1 1 11 ARG HH21 H 4.625 -17.464 12.101 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH21 . . . . . . . . . rr_2kk9 1 . 1 . 178 . 1 1 11 ARG HH22 H 3.440 -17.003 10.778 . . . 1.0 . . . . . . . . . . . . A . 11 ARG HH22 . . . . . . . . . rr_2kk9 1 . 1 . 179 . 1 1 11 ARG N N 10.003 -12.778 12.913 . . . 1.0 . . . . . . . . . . . . A . 11 ARG N . . . . . . . . . rr_2kk9 1 . 1 . 180 . 1 1 11 ARG NE N 5.512 -15.233 12.459 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NE . . . . . . . . . rr_2kk9 1 . 1 . 181 . 1 1 11 ARG NH1 N 3.983 -14.646 10.753 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH1 . . . . . . . . . rr_2kk9 1 . 1 . 182 . 1 1 11 ARG NH2 N 4.168 -16.796 11.470 . . . 1.0 . . . . . . . . . . . . A . 11 ARG NH2 . . . . . . . . . rr_2kk9 1 . 1 . 183 . 1 1 11 ARG O O 8.822 -9.669 12.358 . . . 1.0 . . . . . . . . . . . . A . 11 ARG O . . . . . . . . . rr_2kk9 1 . 1 . 184 . 1 1 12 GLU C C 11.332 -8.370 13.523 . . . 1.0 . . . . . . . . . . . . A . 12 GLU C . . . . . . . . . rr_2kk9 1 . 1 . 185 . 1 1 12 GLU CA C 10.322 -8.832 14.642 . . . 1.0 . . . . . . . . . . . . A . 12 GLU CA . . . . . . . . . rr_2kk9 1 . 1 . 186 . 1 1 12 GLU CB C 10.912 -8.806 16.084 . . . 1.0 . . . . . . . . . . . . A . 12 GLU CB . . . . . . . . . rr_2kk9 1 . 1 . 187 . 1 1 12 GLU CD C 12.013 -6.440 16.211 . . . 1.0 . . . . . . . . . . . . A . 12 GLU CD . . . . . . . . . rr_2kk9 1 . 1 . 188 . 1 1 12 GLU CG C 10.982 -7.424 16.773 . . . 1.0 . . . . . . . . . . . . A . 12 GLU CG . . . . . . . . . rr_2kk9 1 . 1 . 189 . 1 1 12 GLU H H 9.899 -10.983 14.984 . . . 1.0 . . . . . . . . . . . . A . 12 GLU H . . . . . . . . . rr_2kk9 1 . 1 . 190 . 1 1 12 GLU HA H 9.447 -8.162 14.590 . . . 1.0 . . . . . . . . . . . . A . 12 GLU HA . . . . . . . . . rr_2kk9 1 . 1 . 191 . 1 1 12 GLU HB2 H 10.293 -9.441 16.749 . . . 1.0 . . . . . . . . . . . . A . 12 GLU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 192 . 1 1 12 GLU HB3 H 11.908 -9.292 16.111 . . . 1.0 . . . . . . . . . . . . A . 12 GLU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 193 . 1 1 12 GLU HE2 H 13.336 -7.676 16.927 . . . 1.0 . . . . . . . . . . . . A . 12 GLU HE2 . . . . . . . . . rr_2kk9 1 . 1 . 194 . 1 1 12 GLU HG2 H 9.981 -6.952 16.759 . . . 1.0 . . . . . . . . . . . . A . 12 GLU HG2 . . . . . . . . . rr_2kk9 1 . 1 . 195 . 1 1 12 GLU HG3 H 11.206 -7.573 17.846 . . . 1.0 . . . . . . . . . . . . A . 12 GLU HG3 . . . . . . . . . rr_2kk9 1 . 1 . 196 . 1 1 12 GLU N N 9.807 -10.202 14.333 . . . 1.0 . . . . . . . . . . . . A . 12 GLU N . . . . . . . . . rr_2kk9 1 . 1 . 197 . 1 1 12 GLU O O 11.292 -7.212 13.103 . . . 1.0 . . . . . . . . . . . . A . 12 GLU O . . . . . . . . . rr_2kk9 1 . 1 . 198 . 1 1 12 GLU OE1 O 11.708 -5.406 15.618 . . . 1.0 . . . . . . . . . . . . A . 12 GLU OE1 . . . . . . . . . rr_2kk9 1 . 1 . 199 . 1 1 12 GLU OE2 O 13.302 -6.843 16.451 . . . 1.0 . . . . . . . . . . . . A . 12 GLU OE2 . . . . . . . . . rr_2kk9 1 . 1 . 200 . 1 1 13 ALA C C 12.466 -8.698 10.602 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_2kk9 1 . 1 . 201 . 1 1 13 ALA CA C 13.176 -9.066 11.951 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_2kk9 1 . 1 . 202 . 1 1 13 ALA CB C 14.023 -10.349 11.824 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_2kk9 1 . 1 . 203 . 1 1 13 ALA H H 12.081 -10.227 13.465 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_2kk9 1 . 1 . 204 . 1 1 13 ALA HA H 13.835 -8.232 12.233 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_2kk9 1 . 1 . 205 . 1 1 13 ALA HB1 H 13.399 -11.238 11.602 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_2kk9 1 . 1 . 206 . 1 1 13 ALA HB2 H 14.573 -10.578 12.756 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_2kk9 1 . 1 . 207 . 1 1 13 ALA HB3 H 14.772 -10.274 11.016 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_2kk9 1 . 1 . 208 . 1 1 13 ALA N N 12.204 -9.297 13.049 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_2kk9 1 . 1 . 209 . 1 1 13 ALA O O 12.928 -7.796 9.897 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_2kk9 1 . 1 . 210 . 1 1 14 LYS C C 9.743 -7.784 9.120 . . . 1.0 . . . . . . . . . . . . A . 14 LYS C . . . . . . . . . rr_2kk9 1 . 1 . 211 . 1 1 14 LYS CA C 10.529 -9.126 9.053 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CA . . . . . . . . . rr_2kk9 1 . 1 . 212 . 1 1 14 LYS CB C 9.550 -10.324 8.850 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CB . . . . . . . . . rr_2kk9 1 . 1 . 213 . 1 1 14 LYS CD C 10.457 -12.046 7.065 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CD . . . . . . . . . rr_2kk9 1 . 1 . 214 . 1 1 14 LYS CE C 11.707 -11.348 6.487 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CE . . . . . . . . . rr_2kk9 1 . 1 . 215 . 1 1 14 LYS CG C 10.075 -11.751 8.534 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CG . . . . . . . . . rr_2kk9 1 . 1 . 216 . 1 1 14 LYS H H 11.036 -10.066 10.971 . . . 1.0 . . . . . . . . . . . . A . 14 LYS H . . . . . . . . . rr_2kk9 1 . 1 . 217 . 1 1 14 LYS HA H 11.210 -8.938 8.204 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HA . . . . . . . . . rr_2kk9 1 . 1 . 218 . 1 1 14 LYS HB2 H 8.935 -10.416 9.771 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB2 . . . . . . . . . rr_2kk9 1 . 1 . 219 . 1 1 14 LYS HB3 H 8.803 -10.068 8.077 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB3 . . . . . . . . . rr_2kk9 1 . 1 . 220 . 1 1 14 LYS HD2 H 10.584 -13.140 6.956 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD2 . . . . . . . . . rr_2kk9 1 . 1 . 221 . 1 1 14 LYS HD3 H 9.593 -11.805 6.419 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD3 . . . . . . . . . rr_2kk9 1 . 1 . 222 . 1 1 14 LYS HE2 H 11.820 -11.637 5.427 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE2 . . . . . . . . . rr_2kk9 1 . 1 . 223 . 1 1 14 LYS HE3 H 11.571 -10.253 6.472 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE3 . . . . . . . . . rr_2kk9 1 . 1 . 224 . 1 1 14 LYS HG2 H 10.874 -12.111 9.207 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG2 . . . . . . . . . rr_2kk9 1 . 1 . 225 . 1 1 14 LYS HG3 H 9.247 -12.414 8.818 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG3 . . . . . . . . . rr_2kk9 1 . 1 . 226 . 1 1 14 LYS HZ1 H 12.882 -11.416 8.185 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ1 . . . . . . . . . rr_2kk9 1 . 1 . 227 . 1 1 14 LYS HZ2 H 13.103 -12.697 7.194 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ2 . . . . . . . . . rr_2kk9 1 . 1 . 228 . 1 1 14 LYS N N 11.350 -9.391 10.264 . . . 1.0 . . . . . . . . . . . . A . 14 LYS N . . . . . . . . . rr_2kk9 1 . 1 . 229 . 1 1 14 LYS NZ N 12.957 -11.681 7.197 . . . 1.0 . . . . . . . . . . . . A . 14 LYS NZ . . . . . . . . . rr_2kk9 1 . 1 . 230 . 1 1 14 LYS O O 9.637 -7.106 8.095 . . . 1.0 . . . . . . . . . . . . A . 14 LYS O . . . . . . . . . rr_2kk9 1 . 1 . 231 . 1 1 15 LYS C C 9.390 -4.846 10.307 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . rr_2kk9 1 . 1 . 232 . 1 1 15 LYS CA C 8.474 -6.115 10.481 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . rr_2kk9 1 . 1 . 233 . 1 1 15 LYS CB C 7.822 -6.145 11.897 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . rr_2kk9 1 . 1 . 234 . 1 1 15 LYS CD C 5.250 -6.274 11.339 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . rr_2kk9 1 . 1 . 235 . 1 1 15 LYS CE C 4.763 -4.935 11.934 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . rr_2kk9 1 . 1 . 236 . 1 1 15 LYS CG C 6.491 -6.929 11.996 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . rr_2kk9 1 . 1 . 237 . 1 1 15 LYS H H 9.389 -8.014 11.089 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . rr_2kk9 1 . 1 . 238 . 1 1 15 LYS HA H 7.682 -6.055 9.706 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . rr_2kk9 1 . 1 . 239 . 1 1 15 LYS HB2 H 8.535 -6.572 12.630 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . rr_2kk9 1 . 1 . 240 . 1 1 15 LYS HB3 H 7.664 -5.124 12.285 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . rr_2kk9 1 . 1 . 241 . 1 1 15 LYS HD2 H 5.450 -6.125 10.262 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . rr_2kk9 1 . 1 . 242 . 1 1 15 LYS HD3 H 4.416 -7.000 11.362 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . rr_2kk9 1 . 1 . 243 . 1 1 15 LYS HE2 H 5.568 -4.177 11.907 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . rr_2kk9 1 . 1 . 244 . 1 1 15 LYS HE3 H 3.957 -4.528 11.296 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . rr_2kk9 1 . 1 . 245 . 1 1 15 LYS HG2 H 6.635 -7.929 11.549 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . rr_2kk9 1 . 1 . 246 . 1 1 15 LYS HG3 H 6.271 -7.125 13.062 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . rr_2kk9 1 . 1 . 247 . 1 1 15 LYS HZ1 H 3.891 -4.151 13.635 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . rr_2kk9 1 . 1 . 248 . 1 1 15 LYS HZ2 H 3.446 -5.695 13.332 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . rr_2kk9 1 . 1 . 249 . 1 1 15 LYS N N 9.191 -7.404 10.291 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . rr_2kk9 1 . 1 . 250 . 1 1 15 LYS NZ N 4.249 -5.057 13.312 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . rr_2kk9 1 . 1 . 251 . 1 1 15 LYS O O 8.853 -3.755 10.101 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . rr_2kk9 1 . 1 . 252 . 1 1 16 GLN C C 12.023 -3.653 8.685 . . . 1.0 . . . . . . . . . . . . A . 16 GLN C . . . . . . . . . rr_2kk9 1 . 1 . 253 . 1 1 16 GLN CA C 11.707 -3.867 10.194 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CA . . . . . . . . . rr_2kk9 1 . 1 . 254 . 1 1 16 GLN CB C 13.006 -4.106 11.023 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CB . . . . . . . . . rr_2kk9 1 . 1 . 255 . 1 1 16 GLN CD C 14.151 -4.345 13.319 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CD . . . . . . . . . rr_2kk9 1 . 1 . 256 . 1 1 16 GLN CG C 12.843 -4.060 12.562 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CG . . . . . . . . . rr_2kk9 1 . 1 . 257 . 1 1 16 GLN H H 11.032 -5.975 10.339 . . . 1.0 . . . . . . . . . . . . A . 16 GLN H . . . . . . . . . rr_2kk9 1 . 1 . 258 . 1 1 16 GLN HA H 11.216 -2.926 10.516 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HA . . . . . . . . . rr_2kk9 1 . 1 . 259 . 1 1 16 GLN HB2 H 13.460 -5.076 10.734 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HB2 . . . . . . . . . rr_2kk9 1 . 1 . 260 . 1 1 16 GLN HB3 H 13.771 -3.355 10.739 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HB3 . . . . . . . . . rr_2kk9 1 . 1 . 261 . 1 1 16 GLN HE21 H 13.844 -6.324 13.178 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HE21 . . . . . . . . . rr_2kk9 1 . 1 . 262 . 1 1 16 GLN HE22 H 15.362 -5.770 14.046 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HE22 . . . . . . . . . rr_2kk9 1 . 1 . 263 . 1 1 16 GLN HG2 H 12.470 -3.065 12.868 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HG2 . . . . . . . . . rr_2kk9 1 . 1 . 264 . 1 1 16 GLN HG3 H 12.060 -4.768 12.893 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HG3 . . . . . . . . . rr_2kk9 1 . 1 . 265 . 1 1 16 GLN N N 10.737 -4.985 10.392 . . . 1.0 . . . . . . . . . . . . A . 16 GLN N . . . . . . . . . rr_2kk9 1 . 1 . 266 . 1 1 16 GLN NE2 N 14.486 -5.609 13.537 . . . 1.0 . . . . . . . . . . . . A . 16 GLN NE2 . . . . . . . . . rr_2kk9 1 . 1 . 267 . 1 1 16 GLN O O 11.988 -2.509 8.219 . . . 1.0 . . . . . . . . . . . . A . 16 GLN O . . . . . . . . . rr_2kk9 1 . 1 . 268 . 1 1 16 GLN OE1 O 14.870 -3.430 13.718 . . . 1.0 . . . . . . . . . . . . A . 16 GLN OE1 . . . . . . . . . rr_2kk9 1 . 1 . 269 . 1 1 17 LEU C C 11.348 -4.172 5.685 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . rr_2kk9 1 . 1 . 270 . 1 1 17 LEU CA C 12.608 -4.680 6.465 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . rr_2kk9 1 . 1 . 271 . 1 1 17 LEU CB C 13.155 -6.065 5.999 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . rr_2kk9 1 . 1 . 272 . 1 1 17 LEU CD1 C 13.032 -5.928 3.404 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . rr_2kk9 1 . 1 . 273 . 1 1 17 LEU CD2 C 15.191 -5.323 4.588 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . rr_2kk9 1 . 1 . 274 . 1 1 17 LEU CG C 13.910 -6.181 4.643 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . rr_2kk9 1 . 1 . 275 . 1 1 17 LEU H H 12.300 -5.615 8.458 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . rr_2kk9 1 . 1 . 276 . 1 1 17 LEU HA H 13.408 -3.938 6.311 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . rr_2kk9 1 . 1 . 277 . 1 1 17 LEU HB2 H 13.858 -6.446 6.767 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 278 . 1 1 17 LEU HB3 H 12.331 -6.805 6.011 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 279 . 1 1 17 LEU HD11 H 12.752 -4.865 3.300 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . rr_2kk9 1 . 1 . 280 . 1 1 17 LEU HD12 H 12.095 -6.515 3.439 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . rr_2kk9 1 . 1 . 281 . 1 1 17 LEU HD13 H 13.555 -6.212 2.472 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . rr_2kk9 1 . 1 . 282 . 1 1 17 LEU HD21 H 15.858 -5.533 5.444 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . rr_2kk9 1 . 1 . 283 . 1 1 17 LEU HD22 H 14.971 -4.239 4.601 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . rr_2kk9 1 . 1 . 284 . 1 1 17 LEU HD23 H 15.776 -5.525 3.671 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . rr_2kk9 1 . 1 . 285 . 1 1 17 LEU HG H 14.239 -7.235 4.572 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . rr_2kk9 1 . 1 . 286 . 1 1 17 LEU N N 12.339 -4.734 7.934 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . rr_2kk9 1 . 1 . 287 . 1 1 17 LEU O O 11.463 -3.237 4.890 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . rr_2kk9 1 . 1 . 288 . 1 1 18 GLU C C 8.443 -2.894 5.674 . . . 1.0 . . . . . . . . . . . . A . 18 GLU C . . . . . . . . . rr_2kk9 1 . 1 . 289 . 1 1 18 GLU CA C 8.863 -4.364 5.348 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CA . . . . . . . . . rr_2kk9 1 . 1 . 290 . 1 1 18 GLU CB C 7.741 -5.352 5.788 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CB . . . . . . . . . rr_2kk9 1 . 1 . 291 . 1 1 18 GLU CD C 6.804 -7.732 5.852 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CD . . . . . . . . . rr_2kk9 1 . 1 . 292 . 1 1 18 GLU CG C 7.873 -6.804 5.269 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CG . . . . . . . . . rr_2kk9 1 . 1 . 293 . 1 1 18 GLU H H 10.237 -5.500 6.667 . . . 1.0 . . . . . . . . . . . . A . 18 GLU H . . . . . . . . . rr_2kk9 1 . 1 . 294 . 1 1 18 GLU HA H 8.998 -4.398 4.243 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HA . . . . . . . . . rr_2kk9 1 . 1 . 295 . 1 1 18 GLU HB2 H 7.671 -5.363 6.897 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 296 . 1 1 18 GLU HB3 H 6.754 -4.968 5.460 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 297 . 1 1 18 GLU HE2 H 5.720 -7.153 4.341 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HE2 . . . . . . . . . rr_2kk9 1 . 1 . 298 . 1 1 18 GLU HG2 H 7.823 -6.824 4.164 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HG2 . . . . . . . . . rr_2kk9 1 . 1 . 299 . 1 1 18 GLU HG3 H 8.865 -7.221 5.524 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HG3 . . . . . . . . . rr_2kk9 1 . 1 . 300 . 1 1 18 GLU N N 10.164 -4.764 5.958 . . . 1.0 . . . . . . . . . . . . A . 18 GLU N . . . . . . . . . rr_2kk9 1 . 1 . 301 . 1 1 18 GLU O O 7.866 -2.253 4.792 . . . 1.0 . . . . . . . . . . . . A . 18 GLU O . . . . . . . . . rr_2kk9 1 . 1 . 302 . 1 1 18 GLU OE1 O 6.966 -8.393 6.877 . . . 1.0 . . . . . . . . . . . . A . 18 GLU OE1 . . . . . . . . . rr_2kk9 1 . 1 . 303 . 1 1 18 GLU OE2 O 5.655 -7.735 5.103 . . . 1.0 . . . . . . . . . . . . A . 18 GLU OE2 . . . . . . . . . rr_2kk9 1 . 1 . 304 . 1 1 19 ALA C C 9.104 0.121 6.350 . . . 1.0 . . . . . . . . . . . . A . 19 ALA C . . . . . . . . . rr_2kk9 1 . 1 . 305 . 1 1 19 ALA CA C 8.378 -0.941 7.243 . . . 1.0 . . . . . . . . . . . . A . 19 ALA CA . . . . . . . . . rr_2kk9 1 . 1 . 306 . 1 1 19 ALA CB C 8.662 -0.699 8.736 . . . 1.0 . . . . . . . . . . . . A . 19 ALA CB . . . . . . . . . rr_2kk9 1 . 1 . 307 . 1 1 19 ALA H H 9.230 -2.955 7.549 . . . 1.0 . . . . . . . . . . . . A . 19 ALA H . . . . . . . . . rr_2kk9 1 . 1 . 308 . 1 1 19 ALA HA H 7.292 -0.804 7.094 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HA . . . . . . . . . rr_2kk9 1 . 1 . 309 . 1 1 19 ALA HB1 H 8.058 -1.365 9.380 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB1 . . . . . . . . . rr_2kk9 1 . 1 . 310 . 1 1 19 ALA HB2 H 8.411 0.336 9.035 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB2 . . . . . . . . . rr_2kk9 1 . 1 . 311 . 1 1 19 ALA HB3 H 9.726 -0.864 8.995 . . . 1.0 . . . . . . . . . . . . A . 19 ALA HB3 . . . . . . . . . rr_2kk9 1 . 1 . 312 . 1 1 19 ALA N N 8.704 -2.357 6.897 . . . 1.0 . . . . . . . . . . . . A . 19 ALA N . . . . . . . . . rr_2kk9 1 . 1 . 313 . 1 1 19 ALA O O 8.501 1.141 6.009 . . . 1.0 . . . . . . . . . . . . A . 19 ALA O . . . . . . . . . rr_2kk9 1 . 1 . 314 . 1 1 20 GLU C C 10.668 0.712 3.609 . . . 1.0 . . . . . . . . . . . . A . 20 GLU C . . . . . . . . . rr_2kk9 1 . 1 . 315 . 1 1 20 GLU CA C 11.181 0.748 5.086 . . . 1.0 . . . . . . . . . . . . A . 20 GLU CA . . . . . . . . . rr_2kk9 1 . 1 . 316 . 1 1 20 GLU CB C 12.689 0.377 5.162 . . . 1.0 . . . . . . . . . . . . A . 20 GLU CB . . . . . . . . . rr_2kk9 1 . 1 . 317 . 1 1 20 GLU CD C 14.842 0.161 6.530 . . . 1.0 . . . . . . . . . . . . A . 20 GLU CD . . . . . . . . . rr_2kk9 1 . 1 . 318 . 1 1 20 GLU CG C 13.366 0.567 6.540 . . . 1.0 . . . . . . . . . . . . A . 20 GLU CG . . . . . . . . . rr_2kk9 1 . 1 . 319 . 1 1 20 GLU H H 10.733 -1.032 6.318 . . . 1.0 . . . . . . . . . . . . A . 20 GLU H . . . . . . . . . rr_2kk9 1 . 1 . 320 . 1 1 20 GLU HA H 11.066 1.794 5.442 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HA . . . . . . . . . rr_2kk9 1 . 1 . 321 . 1 1 20 GLU HB2 H 12.830 -0.669 4.827 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 322 . 1 1 20 GLU HB3 H 13.242 0.990 4.423 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 323 . 1 1 20 GLU HE2 H 15.166 1.986 5.934 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HE2 . . . . . . . . . rr_2kk9 1 . 1 . 324 . 1 1 20 GLU HG2 H 13.274 1.618 6.873 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HG2 . . . . . . . . . rr_2kk9 1 . 1 . 325 . 1 1 20 GLU HG3 H 12.847 -0.033 7.311 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HG3 . . . . . . . . . rr_2kk9 1 . 1 . 326 . 1 1 20 GLU N N 10.377 -0.134 5.975 . . . 1.0 . . . . . . . . . . . . A . 20 GLU N . . . . . . . . . rr_2kk9 1 . 1 . 327 . 1 1 20 GLU O O 10.496 1.785 3.027 . . . 1.0 . . . . . . . . . . . . A . 20 GLU O . . . . . . . . . rr_2kk9 1 . 1 . 328 . 1 1 20 GLU OE1 O 15.238 -0.962 6.842 . . . 1.0 . . . . . . . . . . . . A . 20 GLU OE1 . . . . . . . . . rr_2kk9 1 . 1 . 329 . 1 1 20 GLU OE2 O 15.661 1.189 6.136 . . . 1.0 . . . . . . . . . . . . A . 20 GLU OE2 . . . . . . . . . rr_2kk9 1 . 1 . 330 . 1 1 21 GLN C C 8.461 0.044 1.430 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . rr_2kk9 1 . 1 . 331 . 1 1 21 GLN CA C 9.871 -0.606 1.619 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . rr_2kk9 1 . 1 . 332 . 1 1 21 GLN CB C 9.854 -2.087 1.141 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . rr_2kk9 1 . 1 . 333 . 1 1 21 GLN CD C 11.266 -4.154 0.491 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . rr_2kk9 1 . 1 . 334 . 1 1 21 GLN CG C 11.172 -2.873 1.334 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . rr_2kk9 1 . 1 . 335 . 1 1 21 GLN H H 10.641 -1.328 3.540 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . rr_2kk9 1 . 1 . 336 . 1 1 21 GLN HA H 10.569 -0.065 0.953 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . rr_2kk9 1 . 1 . 337 . 1 1 21 GLN HB2 H 9.039 -2.645 1.643 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . rr_2kk9 1 . 1 . 338 . 1 1 21 GLN HB3 H 9.584 -2.091 0.067 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . rr_2kk9 1 . 1 . 339 . 1 1 21 GLN HE21 H 12.447 -3.225 -0.838 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . rr_2kk9 1 . 1 . 340 . 1 1 21 GLN HE22 H 12.045 -4.986 -1.160 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . rr_2kk9 1 . 1 . 341 . 1 1 21 GLN HG2 H 12.033 -2.201 1.167 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . rr_2kk9 1 . 1 . 342 . 1 1 21 GLN HG3 H 11.261 -3.160 2.396 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . rr_2kk9 1 . 1 . 343 . 1 1 21 GLN N N 10.410 -0.480 3.008 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . rr_2kk9 1 . 1 . 344 . 1 1 21 GLN NE2 N 11.993 -4.118 -0.616 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . rr_2kk9 1 . 1 . 345 . 1 1 21 GLN O O 8.244 0.754 0.444 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . rr_2kk9 1 . 1 . 346 . 1 1 21 GLN OE1 O 10.692 -5.188 0.831 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . rr_2kk9 1 . 1 . 347 . 1 1 22 GLN C C 6.139 1.937 2.528 . . . 1.0 . . . . . . . . . . . . A . 22 GLN C . . . . . . . . . rr_2kk9 1 . 1 . 348 . 1 1 22 GLN CA C 6.153 0.388 2.372 . . . 1.0 . . . . . . . . . . . . A . 22 GLN CA . . . . . . . . . rr_2kk9 1 . 1 . 349 . 1 1 22 GLN CB C 5.220 -0.270 3.447 . . . 1.0 . . . . . . . . . . . . A . 22 GLN CB . . . . . . . . . rr_2kk9 1 . 1 . 350 . 1 1 22 GLN CD C 4.175 -2.433 4.372 . . . 1.0 . . . . . . . . . . . . A . 22 GLN CD . . . . . . . . . rr_2kk9 1 . 1 . 351 . 1 1 22 GLN CG C 4.915 -1.767 3.200 . . . 1.0 . . . . . . . . . . . . A . 22 GLN CG . . . . . . . . . rr_2kk9 1 . 1 . 352 . 1 1 22 GLN H H 7.895 -0.821 3.113 . . . 1.0 . . . . . . . . . . . . A . 22 GLN H . . . . . . . . . rr_2kk9 1 . 1 . 353 . 1 1 22 GLN HA H 5.764 0.208 1.347 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HA . . . . . . . . . rr_2kk9 1 . 1 . 354 . 1 1 22 GLN HB2 H 5.649 -0.132 4.461 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HB2 . . . . . . . . . rr_2kk9 1 . 1 . 355 . 1 1 22 GLN HB3 H 4.245 0.263 3.531 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HB3 . . . . . . . . . rr_2kk9 1 . 1 . 356 . 1 1 22 GLN HE21 H 2.421 -2.242 3.417 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HE21 . . . . . . . . . rr_2kk9 1 . 1 . 357 . 1 1 22 GLN HE22 H 2.394 -3.033 5.073 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HE22 . . . . . . . . . rr_2kk9 1 . 1 . 358 . 1 1 22 GLN HG2 H 4.350 -1.881 2.254 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HG2 . . . . . . . . . rr_2kk9 1 . 1 . 359 . 1 1 22 GLN HG3 H 5.855 -2.325 3.036 . . . 1.0 . . . . . . . . . . . . A . 22 GLN HG3 . . . . . . . . . rr_2kk9 1 . 1 . 360 . 1 1 22 GLN N N 7.531 -0.201 2.380 . . . 1.0 . . . . . . . . . . . . A . 22 GLN N . . . . . . . . . rr_2kk9 1 . 1 . 361 . 1 1 22 GLN NE2 N 2.862 -2.583 4.279 . . . 1.0 . . . . . . . . . . . . A . 22 GLN NE2 . . . . . . . . . rr_2kk9 1 . 1 . 362 . 1 1 22 GLN O O 5.347 2.596 1.847 . . . 1.0 . . . . . . . . . . . . A . 22 GLN O . . . . . . . . . rr_2kk9 1 . 1 . 363 . 1 1 22 GLN OE1 O 4.781 -2.822 5.371 . . . 1.0 . . . . . . . . . . . . A . 22 GLN OE1 . . . . . . . . . rr_2kk9 1 . 1 . 364 . 1 1 23 LYS C C 7.683 4.692 2.343 . . . 1.0 . . . . . . . . . . . . A . 23 LYS C . . . . . . . . . rr_2kk9 1 . 1 . 365 . 1 1 23 LYS CA C 7.097 3.986 3.597 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CA . . . . . . . . . rr_2kk9 1 . 1 . 366 . 1 1 23 LYS CB C 7.859 4.264 4.925 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CB . . . . . . . . . rr_2kk9 1 . 1 . 367 . 1 1 23 LYS CD C 6.614 6.503 5.568 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CD . . . . . . . . . rr_2kk9 1 . 1 . 368 . 1 1 23 LYS CE C 5.711 5.953 6.689 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CE . . . . . . . . . rr_2kk9 1 . 1 . 369 . 1 1 23 LYS CG C 7.945 5.740 5.373 . . . 1.0 . . . . . . . . . . . . A . 23 LYS CG . . . . . . . . . rr_2kk9 1 . 1 . 370 . 1 1 23 LYS H H 7.609 1.859 3.897 . . . 1.0 . . . . . . . . . . . . A . 23 LYS H . . . . . . . . . rr_2kk9 1 . 1 . 371 . 1 1 23 LYS HA H 6.061 4.361 3.636 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HA . . . . . . . . . rr_2kk9 1 . 1 . 372 . 1 1 23 LYS HB2 H 7.415 3.679 5.755 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB2 . . . . . . . . . rr_2kk9 1 . 1 . 373 . 1 1 23 LYS HB3 H 8.894 3.870 4.851 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HB3 . . . . . . . . . rr_2kk9 1 . 1 . 374 . 1 1 23 LYS HD2 H 6.857 7.561 5.783 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD2 . . . . . . . . . rr_2kk9 1 . 1 . 375 . 1 1 23 LYS HD3 H 6.061 6.525 4.610 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HD3 . . . . . . . . . rr_2kk9 1 . 1 . 376 . 1 1 23 LYS HE2 H 5.439 4.901 6.489 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE2 . . . . . . . . . rr_2kk9 1 . 1 . 377 . 1 1 23 LYS HE3 H 6.249 5.958 7.654 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HE3 . . . . . . . . . rr_2kk9 1 . 1 . 378 . 1 1 23 LYS HG2 H 8.529 5.781 6.310 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG2 . . . . . . . . . rr_2kk9 1 . 1 . 379 . 1 1 23 LYS HG3 H 8.557 6.285 4.631 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HG3 . . . . . . . . . rr_2kk9 1 . 1 . 380 . 1 1 23 LYS HZ1 H 3.962 6.746 5.932 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ1 . . . . . . . . . rr_2kk9 1 . 1 . 381 . 1 1 23 LYS HZ2 H 4.706 7.728 7.006 . . . 1.0 . . . . . . . . . . . . A . 23 LYS HZ2 . . . . . . . . . rr_2kk9 1 . 1 . 382 . 1 1 23 LYS N N 6.987 2.512 3.412 . . . 1.0 . . . . . . . . . . . . A . 23 LYS N . . . . . . . . . rr_2kk9 1 . 1 . 383 . 1 1 23 LYS NZ N 4.475 6.746 6.820 . . . 1.0 . . . . . . . . . . . . A . 23 LYS NZ . . . . . . . . . rr_2kk9 1 . 1 . 384 . 1 1 23 LYS O O 7.173 5.750 1.960 . . . 1.0 . . . . . . . . . . . . A . 23 LYS O . . . . . . . . . rr_2kk9 1 . 1 . 385 . 1 1 24 LEU C C 8.324 4.596 -0.743 . . . 1.0 . . . . . . . . . . . . A . 24 LEU C . . . . . . . . . rr_2kk9 1 . 1 . 386 . 1 1 24 LEU CA C 9.327 4.668 0.469 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CA . . . . . . . . . rr_2kk9 1 . 1 . 387 . 1 1 24 LEU CB C 10.654 3.930 0.144 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CB . . . . . . . . . rr_2kk9 1 . 1 . 388 . 1 1 24 LEU CD1 C 12.985 3.261 0.841 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CD1 . . . . . . . . . rr_2kk9 1 . 1 . 389 . 1 1 24 LEU CD2 C 12.337 5.687 1.037 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CD2 . . . . . . . . . rr_2kk9 1 . 1 . 390 . 1 1 24 LEU CG C 11.831 4.232 1.113 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CG . . . . . . . . . rr_2kk9 1 . 1 . 391 . 1 1 24 LEU H H 9.094 3.278 2.172 . . . 1.0 . . . . . . . . . . . . A . 24 LEU H . . . . . . . . . rr_2kk9 1 . 1 . 392 . 1 1 24 LEU HA H 9.556 5.738 0.637 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HA . . . . . . . . . rr_2kk9 1 . 1 . 393 . 1 1 24 LEU HB2 H 10.464 2.836 0.111 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 394 . 1 1 24 LEU HB3 H 10.982 4.168 -0.888 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 395 . 1 1 24 LEU HD11 H 13.817 3.423 1.547 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD11 . . . . . . . . . rr_2kk9 1 . 1 . 396 . 1 1 24 LEU HD12 H 13.378 3.380 -0.186 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD12 . . . . . . . . . rr_2kk9 1 . 1 . 397 . 1 1 24 LEU HD13 H 12.653 2.213 0.956 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD13 . . . . . . . . . rr_2kk9 1 . 1 . 398 . 1 1 24 LEU HD21 H 11.559 6.409 1.342 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD21 . . . . . . . . . rr_2kk9 1 . 1 . 399 . 1 1 24 LEU HD22 H 13.196 5.854 1.713 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD22 . . . . . . . . . rr_2kk9 1 . 1 . 400 . 1 1 24 LEU HD23 H 12.659 5.960 0.015 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HD23 . . . . . . . . . rr_2kk9 1 . 1 . 401 . 1 1 24 LEU HG H 11.497 4.051 2.151 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HG . . . . . . . . . rr_2kk9 1 . 1 . 402 . 1 1 24 LEU N N 8.732 4.121 1.717 . . . 1.0 . . . . . . . . . . . . A . 24 LEU N . . . . . . . . . rr_2kk9 1 . 1 . 403 . 1 1 24 LEU O O 8.516 5.346 -1.702 . . . 1.0 . . . . . . . . . . . . A . 24 LEU O . . . . . . . . . rr_2kk9 1 . 1 . 404 . 1 1 25 GLU C C 5.258 4.817 -1.669 . . . 1.0 . . . . . . . . . . . . A . 25 GLU C . . . . . . . . . rr_2kk9 1 . 1 . 405 . 1 1 25 GLU CA C 6.254 3.622 -1.784 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CA . . . . . . . . . rr_2kk9 1 . 1 . 406 . 1 1 25 GLU CB C 5.609 2.211 -1.734 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CB . . . . . . . . . rr_2kk9 1 . 1 . 407 . 1 1 25 GLU CD C 4.039 0.499 -2.804 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CD . . . . . . . . . rr_2kk9 1 . 1 . 408 . 1 1 25 GLU CG C 4.622 1.913 -2.879 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CG . . . . . . . . . rr_2kk9 1 . 1 . 409 . 1 1 25 GLU H H 7.069 3.344 0.233 . . . 1.0 . . . . . . . . . . . . A . 25 GLU H . . . . . . . . . rr_2kk9 1 . 1 . 410 . 1 1 25 GLU HA H 6.774 3.753 -2.749 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HA . . . . . . . . . rr_2kk9 1 . 1 . 411 . 1 1 25 GLU HB2 H 6.409 1.445 -1.757 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 412 . 1 1 25 GLU HB3 H 5.095 2.067 -0.764 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 413 . 1 1 25 GLU HE2 H 5.580 -0.012 -3.879 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HE2 . . . . . . . . . rr_2kk9 1 . 1 . 414 . 1 1 25 GLU HG2 H 3.789 2.639 -2.852 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HG2 . . . . . . . . . rr_2kk9 1 . 1 . 415 . 1 1 25 GLU HG3 H 5.120 2.061 -3.855 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HG3 . . . . . . . . . rr_2kk9 1 . 1 . 416 . 1 1 25 GLU N N 7.281 3.717 -0.712 . . . 1.0 . . . . . . . . . . . . A . 25 GLU N . . . . . . . . . rr_2kk9 1 . 1 . 417 . 1 1 25 GLU O O 4.978 5.463 -2.681 . . . 1.0 . . . . . . . . . . . . A . 25 GLU O . . . . . . . . . rr_2kk9 1 . 1 . 418 . 1 1 25 GLU OE1 O 2.999 0.226 -2.205 . . . 1.0 . . . . . . . . . . . . A . 25 GLU OE1 . . . . . . . . . rr_2kk9 1 . 1 . 419 . 1 1 25 GLU OE2 O 4.808 -0.417 -3.476 . . . 1.0 . . . . . . . . . . . . A . 25 GLU OE2 . . . . . . . . . rr_2kk9 1 . 1 . 420 . 1 1 26 GLU C C 4.514 7.625 -0.494 . . . 1.0 . . . . . . . . . . . . A . 26 GLU C . . . . . . . . . rr_2kk9 1 . 1 . 421 . 1 1 26 GLU CA C 3.826 6.244 -0.181 . . . 1.0 . . . . . . . . . . . . A . 26 GLU CA . . . . . . . . . rr_2kk9 1 . 1 . 422 . 1 1 26 GLU CB C 3.338 6.124 1.290 . . . 1.0 . . . . . . . . . . . . A . 26 GLU CB . . . . . . . . . rr_2kk9 1 . 1 . 423 . 1 1 26 GLU CD C 1.813 6.944 3.169 . . . 1.0 . . . . . . . . . . . . A . 26 GLU CD . . . . . . . . . rr_2kk9 1 . 1 . 424 . 1 1 26 GLU CG C 2.230 7.117 1.705 . . . 1.0 . . . . . . . . . . . . A . 26 GLU CG . . . . . . . . . rr_2kk9 1 . 1 . 425 . 1 1 26 GLU H H 5.018 4.448 0.279 . . . 1.0 . . . . . . . . . . . . A . 26 GLU H . . . . . . . . . rr_2kk9 1 . 1 . 426 . 1 1 26 GLU HA H 2.954 6.114 -0.845 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HA . . . . . . . . . rr_2kk9 1 . 1 . 427 . 1 1 26 GLU HB2 H 2.956 5.098 1.466 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 428 . 1 1 26 GLU HB3 H 4.201 6.233 1.976 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 429 . 1 1 26 GLU HE2 H 0.551 5.915 4.236 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HE2 . . . . . . . . . rr_2kk9 1 . 1 . 430 . 1 1 26 GLU HG2 H 2.574 8.158 1.561 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HG2 . . . . . . . . . rr_2kk9 1 . 1 . 431 . 1 1 26 GLU HG3 H 1.346 7.004 1.050 . . . 1.0 . . . . . . . . . . . . A . 26 GLU HG3 . . . . . . . . . rr_2kk9 1 . 1 . 432 . 1 1 26 GLU N N 4.735 5.099 -0.454 . . . 1.0 . . . . . . . . . . . . A . 26 GLU N . . . . . . . . . rr_2kk9 1 . 1 . 433 . 1 1 26 GLU O O 3.865 8.510 -1.056 . . . 1.0 . . . . . . . . . . . . A . 26 GLU O . . . . . . . . . rr_2kk9 1 . 1 . 434 . 1 1 26 GLU OE1 O 2.326 7.567 4.098 . . . 1.0 . . . . . . . . . . . . A . 26 GLU OE1 . . . . . . . . . rr_2kk9 1 . 1 . 435 . 1 1 26 GLU OE2 O 0.809 6.021 3.317 . . . 1.0 . . . . . . . . . . . . A . 26 GLU OE2 . . . . . . . . . rr_2kk9 1 . 1 . 436 . 1 1 27 GLN C C 6.908 9.234 -1.929 . . . 1.0 . . . . . . . . . . . . A . 27 GLN C . . . . . . . . . rr_2kk9 1 . 1 . 437 . 1 1 27 GLN CA C 6.616 9.007 -0.411 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CA . . . . . . . . . rr_2kk9 1 . 1 . 438 . 1 1 27 GLN CB C 7.896 8.930 0.474 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CB . . . . . . . . . rr_2kk9 1 . 1 . 439 . 1 1 27 GLN CD C 9.735 10.413 -0.642 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CD . . . . . . . . . rr_2kk9 1 . 1 . 440 . 1 1 27 GLN CG C 8.784 10.195 0.552 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CG . . . . . . . . . rr_2kk9 1 . 1 . 441 . 1 1 27 GLN H H 6.252 6.960 0.290 . . . 1.0 . . . . . . . . . . . . A . 27 GLN H . . . . . . . . . rr_2kk9 1 . 1 . 442 . 1 1 27 GLN HA H 6.019 9.869 -0.068 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HA . . . . . . . . . rr_2kk9 1 . 1 . 443 . 1 1 27 GLN HB2 H 7.588 8.710 1.515 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HB2 . . . . . . . . . rr_2kk9 1 . 1 . 444 . 1 1 27 GLN HB3 H 8.514 8.057 0.183 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HB3 . . . . . . . . . rr_2kk9 1 . 1 . 445 . 1 1 27 GLN HE21 H 9.048 12.281 -0.886 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HE21 . . . . . . . . . rr_2kk9 1 . 1 . 446 . 1 1 27 GLN HE22 H 10.358 11.712 -2.037 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HE22 . . . . . . . . . rr_2kk9 1 . 1 . 447 . 1 1 27 GLN HG2 H 8.145 11.081 0.737 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HG2 . . . . . . . . . rr_2kk9 1 . 1 . 448 . 1 1 27 GLN HG3 H 9.417 10.117 1.455 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HG3 . . . . . . . . . rr_2kk9 1 . 1 . 449 . 1 1 27 GLN N N 5.814 7.786 -0.137 . . . 1.0 . . . . . . . . . . . . A . 27 GLN N . . . . . . . . . rr_2kk9 1 . 1 . 450 . 1 1 27 GLN NE2 N 9.712 11.590 -1.250 . . . 1.0 . . . . . . . . . . . . A . 27 GLN NE2 . . . . . . . . . rr_2kk9 1 . 1 . 451 . 1 1 27 GLN O O 6.819 10.378 -2.380 . . . 1.0 . . . . . . . . . . . . A . 27 GLN O . . . . . . . . . rr_2kk9 1 . 1 . 452 . 1 1 27 GLN OE1 O 10.508 9.533 -1.020 . . . 1.0 . . . . . . . . . . . . A . 27 GLN OE1 . . . . . . . . . rr_2kk9 1 . 1 . 453 . 1 1 28 ASN C C 6.214 8.561 -5.011 . . . 1.0 . . . . . . . . . . . . A . 28 ASN C . . . . . . . . . rr_2kk9 1 . 1 . 454 . 1 1 28 ASN CA C 7.511 8.307 -4.171 . . . 1.0 . . . . . . . . . . . . A . 28 ASN CA . . . . . . . . . rr_2kk9 1 . 1 . 455 . 1 1 28 ASN CB C 8.294 7.073 -4.704 . . . 1.0 . . . . . . . . . . . . A . 28 ASN CB . . . . . . . . . rr_2kk9 1 . 1 . 456 . 1 1 28 ASN CG C 9.755 6.912 -4.220 . . . 1.0 . . . . . . . . . . . . A . 28 ASN CG . . . . . . . . . rr_2kk9 1 . 1 . 457 . 1 1 28 ASN H H 7.193 7.274 -2.229 . . . 1.0 . . . . . . . . . . . . A . 28 ASN H . . . . . . . . . rr_2kk9 1 . 1 . 458 . 1 1 28 ASN HA H 8.162 9.189 -4.332 . . . 1.0 . . . . . . . . . . . . A . 28 ASN HA . . . . . . . . . rr_2kk9 1 . 1 . 459 . 1 1 28 ASN HB2 H 7.720 6.151 -4.484 . . . 1.0 . . . . . . . . . . . . A . 28 ASN HB2 . . . . . . . . . rr_2kk9 1 . 1 . 460 . 1 1 28 ASN HB3 H 8.331 7.124 -5.810 . . . 1.0 . . . . . . . . . . . . A . 28 ASN HB3 . . . . . . . . . rr_2kk9 1 . 1 . 461 . 1 1 28 ASN HD21 H 9.771 5.034 -4.922 . . . 1.0 . . . . . . . . . . . . A . 28 ASN HD21 . . . . . . . . . rr_2kk9 1 . 1 . 462 . 1 1 28 ASN HD22 H 11.308 5.646 -4.128 . . . 1.0 . . . . . . . . . . . . A . 28 ASN HD22 . . . . . . . . . rr_2kk9 1 . 1 . 463 . 1 1 28 ASN N N 7.261 8.185 -2.702 . . . 1.0 . . . . . . . . . . . . A . 28 ASN N . . . . . . . . . rr_2kk9 1 . 1 . 464 . 1 1 28 ASN ND2 N 10.337 5.744 -4.445 . . . 1.0 . . . . . . . . . . . . A . 28 ASN ND2 . . . . . . . . . rr_2kk9 1 . 1 . 465 . 1 1 28 ASN O O 6.241 9.396 -5.919 . . . 1.0 . . . . . . . . . . . . A . 28 ASN O . . . . . . . . . rr_2kk9 1 . 1 . 466 . 1 1 28 ASN OD1 O 10.377 7.816 -3.661 . . . 1.0 . . . . . . . . . . . . A . 28 ASN OD1 . . . . . . . . . rr_2kk9 1 . 1 . 467 . 1 1 29 LYS C C 3.026 9.370 -5.108 . . . 1.0 . . . . . . . . . . . . A . 29 LYS C . . . . . . . . . rr_2kk9 1 . 1 . 468 . 1 1 29 LYS CA C 3.791 8.034 -5.392 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CA . . . . . . . . . rr_2kk9 1 . 1 . 469 . 1 1 29 LYS CB C 2.924 6.792 -4.985 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CB . . . . . . . . . rr_2kk9 1 . 1 . 470 . 1 1 29 LYS CD C 1.776 6.175 -7.251 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CD . . . . . . . . . rr_2kk9 1 . 1 . 471 . 1 1 29 LYS CE C 0.457 6.063 -8.042 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CE . . . . . . . . . rr_2kk9 1 . 1 . 472 . 1 1 29 LYS CG C 1.609 6.569 -5.767 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CG . . . . . . . . . rr_2kk9 1 . 1 . 473 . 1 1 29 LYS H H 5.201 7.222 -3.911 . . . 1.0 . . . . . . . . . . . . A . 29 LYS H . . . . . . . . . rr_2kk9 1 . 1 . 474 . 1 1 29 LYS HA H 3.974 8.035 -6.484 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HA . . . . . . . . . rr_2kk9 1 . 1 . 475 . 1 1 29 LYS HB2 H 3.497 5.837 -5.021 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HB2 . . . . . . . . . rr_2kk9 1 . 1 . 476 . 1 1 29 LYS HB3 H 2.660 6.894 -3.914 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HB3 . . . . . . . . . rr_2kk9 1 . 1 . 477 . 1 1 29 LYS HD2 H 2.403 6.933 -7.756 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HD2 . . . . . . . . . rr_2kk9 1 . 1 . 478 . 1 1 29 LYS HD3 H 2.346 5.230 -7.330 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HD3 . . . . . . . . . rr_2kk9 1 . 1 . 479 . 1 1 29 LYS HE2 H -0.115 7.007 -7.969 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HE2 . . . . . . . . . rr_2kk9 1 . 1 . 480 . 1 1 29 LYS HE3 H 0.686 5.939 -9.116 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HE3 . . . . . . . . . rr_2kk9 1 . 1 . 481 . 1 1 29 LYS HG2 H 1.035 5.778 -5.249 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HG2 . . . . . . . . . rr_2kk9 1 . 1 . 482 . 1 1 29 LYS HG3 H 0.980 7.472 -5.689 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HG3 . . . . . . . . . rr_2kk9 1 . 1 . 483 . 1 1 29 LYS HZ1 H 0.114 4.055 -7.697 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ1 . . . . . . . . . rr_2kk9 1 . 1 . 484 . 1 1 29 LYS HZ2 H -0.630 5.033 -6.618 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ2 . . . . . . . . . rr_2kk9 1 . 1 . 485 . 1 1 29 LYS N N 5.102 7.859 -4.708 . . . 1.0 . . . . . . . . . . . . A . 29 LYS N . . . . . . . . . rr_2kk9 1 . 1 . 486 . 1 1 29 LYS NZ N -0.399 4.939 -7.613 . . . 1.0 . . . . . . . . . . . . A . 29 LYS NZ . . . . . . . . . rr_2kk9 1 . 1 . 487 . 1 1 29 LYS O O 2.195 9.748 -5.937 . . . 1.0 . . . . . . . . . . . . A . 29 LYS O . . . . . . . . . rr_2kk9 1 . 1 . 488 . 1 1 30 ILE C C 1.087 11.103 -3.301 . . . 1.0 . . . . . . . . . . . . A . 30 ILE C . . . . . . . . . rr_2kk9 1 . 1 . 489 . 1 1 30 ILE CA C 2.613 11.363 -3.608 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CA . . . . . . . . . rr_2kk9 1 . 1 . 490 . 1 1 30 ILE CB C 2.952 12.531 -4.621 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CB . . . . . . . . . rr_2kk9 1 . 1 . 491 . 1 1 30 ILE CD1 C 5.453 13.020 -3.929 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CD1 . . . . . . . . . rr_2kk9 1 . 1 . 492 . 1 1 30 ILE CG1 C 4.450 12.700 -5.050 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CG1 . . . . . . . . . rr_2kk9 1 . 1 . 493 . 1 1 30 ILE CG2 C 2.413 13.916 -4.172 . . . 1.0 . . . . . . . . . . . . A . 30 ILE CG2 . . . . . . . . . rr_2kk9 1 . 1 . 494 . 1 1 30 ILE H H 4.142 9.795 -3.509 . . . 1.0 . . . . . . . . . . . . A . 30 ILE H . . . . . . . . . rr_2kk9 1 . 1 . 495 . 1 1 30 ILE HA H 3.049 11.676 -2.639 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HA . . . . . . . . . rr_2kk9 1 . 1 . 496 . 1 1 30 ILE HB H 2.426 12.257 -5.547 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HB . . . . . . . . . rr_2kk9 1 . 1 . 497 . 1 1 30 ILE HD11 H 6.491 13.016 -4.309 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HD11 . . . . . . . . . rr_2kk9 1 . 1 . 498 . 1 1 30 ILE HD12 H 5.271 14.018 -3.490 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HD12 . . . . . . . . . rr_2kk9 1 . 1 . 499 . 1 1 30 ILE HD13 H 5.397 12.286 -3.108 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HD13 . . . . . . . . . rr_2kk9 1 . 1 . 500 . 1 1 30 ILE HG12 H 4.795 11.799 -5.596 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG12 . . . . . . . . . rr_2kk9 1 . 1 . 501 . 1 1 30 ILE HG13 H 4.521 13.498 -5.812 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG13 . . . . . . . . . rr_2kk9 1 . 1 . 502 . 1 1 30 ILE HG21 H 2.838 14.230 -3.200 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG21 . . . . . . . . . rr_2kk9 1 . 1 . 503 . 1 1 30 ILE HG22 H 1.317 13.935 -4.061 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG22 . . . . . . . . . rr_2kk9 1 . 1 . 504 . 1 1 30 ILE HG23 H 2.651 14.710 -4.904 . . . 1.0 . . . . . . . . . . . . A . 30 ILE HG23 . . . . . . . . . rr_2kk9 1 . 1 . 505 . 1 1 30 ILE N N 3.286 10.080 -3.984 . . . 1.0 . . . . . . . . . . . . A . 30 ILE N . . . . . . . . . rr_2kk9 1 . 1 . 506 . 1 1 30 ILE O O 0.215 11.786 -3.843 . . . 1.0 . . . . . . . . . . . . A . 30 ILE O . . . . . . . . . rr_2kk9 1 . 1 . 507 . 1 1 31 SER C C -1.548 9.442 -3.277 . . . 1.0 . . . . . . . . . . . . A . 31 SER C . . . . . . . . . rr_2kk9 1 . 1 . 508 . 1 1 31 SER CA C -0.636 9.733 -2.043 . . . 1.0 . . . . . . . . . . . . A . 31 SER CA . . . . . . . . . rr_2kk9 1 . 1 . 509 . 1 1 31 SER CB C -1.212 10.766 -1.041 . . . 1.0 . . . . . . . . . . . . A . 31 SER CB . . . . . . . . . rr_2kk9 1 . 1 . 510 . 1 1 31 SER H H 1.532 9.438 -2.269 . . . 1.0 . . . . . . . . . . . . A . 31 SER H . . . . . . . . . rr_2kk9 1 . 1 . 511 . 1 1 31 SER HA H -0.551 8.785 -1.478 . . . 1.0 . . . . . . . . . . . . A . 31 SER HA . . . . . . . . . rr_2kk9 1 . 1 . 512 . 1 1 31 SER HB2 H -0.513 10.928 -0.200 . . . 1.0 . . . . . . . . . . . . A . 31 SER HB2 . . . . . . . . . rr_2kk9 1 . 1 . 513 . 1 1 31 SER HB3 H -1.349 11.753 -1.521 . . . 1.0 . . . . . . . . . . . . A . 31 SER HB3 . . . . . . . . . rr_2kk9 1 . 1 . 514 . 1 1 31 SER HG H -3.046 10.231 -1.269 . . . 1.0 . . . . . . . . . . . . A . 31 SER HG . . . . . . . . . rr_2kk9 1 . 1 . 515 . 1 1 31 SER N N 0.763 10.102 -2.433 . . . 1.0 . . . . . . . . . . . . A . 31 SER N . . . . . . . . . rr_2kk9 1 . 1 . 516 . 1 1 31 SER O O -2.464 10.211 -3.586 . . . 1.0 . . . . . . . . . . . . A . 31 SER O . . . . . . . . . rr_2kk9 1 . 1 . 517 . 1 1 31 SER OG O -2.458 10.324 -0.515 . . . 1.0 . . . . . . . . . . . . A . 31 SER OG . . . . . . . . . rr_2kk9 1 . 1 . 518 . 1 1 32 GLU C C -2.013 8.947 -6.371 . . . 1.0 . . . . . . . . . . . . A . 32 GLU C . . . . . . . . . rr_2kk9 1 . 1 . 519 . 1 1 32 GLU CA C -2.012 7.886 -5.204 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CA . . . . . . . . . rr_2kk9 1 . 1 . 520 . 1 1 32 GLU CB C -3.436 7.349 -4.853 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CB . . . . . . . . . rr_2kk9 1 . 1 . 521 . 1 1 32 GLU CD C -4.935 5.684 -3.620 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CD . . . . . . . . . rr_2kk9 1 . 1 . 522 . 1 1 32 GLU CG C -3.499 6.144 -3.886 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CG . . . . . . . . . rr_2kk9 1 . 1 . 523 . 1 1 32 GLU H H -0.491 7.766 -3.605 . . . 1.0 . . . . . . . . . . . . A . 32 GLU H . . . . . . . . . rr_2kk9 1 . 1 . 524 . 1 1 32 GLU HA H -1.450 7.025 -5.611 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HA . . . . . . . . . rr_2kk9 1 . 1 . 525 . 1 1 32 GLU HB2 H -4.049 8.178 -4.449 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 526 . 1 1 32 GLU HB3 H -3.938 7.051 -5.793 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 527 . 1 1 32 GLU HE2 H -6.265 4.477 -4.369 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HE2 . . . . . . . . . rr_2kk9 1 . 1 . 528 . 1 1 32 GLU HG2 H -2.906 5.300 -4.283 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HG2 . . . . . . . . . rr_2kk9 1 . 1 . 529 . 1 1 32 GLU HG3 H -3.032 6.404 -2.918 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HG3 . . . . . . . . . rr_2kk9 1 . 1 . 530 . 1 1 32 GLU N N -1.261 8.326 -3.985 . . . 1.0 . . . . . . . . . . . . A . 32 GLU N . . . . . . . . . rr_2kk9 1 . 1 . 531 . 1 1 32 GLU O O -3.017 9.105 -7.073 . . . 1.0 . . . . . . . . . . . . A . 32 GLU O . . . . . . . . . rr_2kk9 1 . 1 . 532 . 1 1 32 GLU OE1 O -5.617 6.099 -2.683 . . . 1.0 . . . . . . . . . . . . A . 32 GLU OE1 . . . . . . . . . rr_2kk9 1 . 1 . 533 . 1 1 32 GLU OE2 O -5.365 4.763 -4.541 . . . 1.0 . . . . . . . . . . . . A . 32 GLU OE2 . . . . . . . . . rr_2kk9 1 . 1 . 534 . 1 1 33 ALA C C -1.691 11.887 -7.474 . . . 1.0 . . . . . . . . . . . . A . 33 ALA C . . . . . . . . . rr_2kk9 1 . 1 . 535 . 1 1 33 ALA CA C -0.699 10.695 -7.646 . . . 1.0 . . . . . . . . . . . . A . 33 ALA CA . . . . . . . . . rr_2kk9 1 . 1 . 536 . 1 1 33 ALA CB C -0.677 10.085 -9.067 . . . 1.0 . . . . . . . . . . . . A . 33 ALA CB . . . . . . . . . rr_2kk9 1 . 1 . 537 . 1 1 33 ALA H H -0.131 9.488 -5.899 . . . 1.0 . . . . . . . . . . . . A . 33 ALA H . . . . . . . . . rr_2kk9 1 . 1 . 538 . 1 1 33 ALA HA H 0.320 11.102 -7.499 . . . 1.0 . . . . . . . . . . . . A . 33 ALA HA . . . . . . . . . rr_2kk9 1 . 1 . 539 . 1 1 33 ALA HB1 H -1.646 9.631 -9.346 . . . 1.0 . . . . . . . . . . . . A . 33 ALA HB1 . . . . . . . . . rr_2kk9 1 . 1 . 540 . 1 1 33 ALA HB2 H -0.445 10.851 -9.830 . . . 1.0 . . . . . . . . . . . . A . 33 ALA HB2 . . . . . . . . . rr_2kk9 1 . 1 . 541 . 1 1 33 ALA HB3 H 0.094 9.298 -9.162 . . . 1.0 . . . . . . . . . . . . A . 33 ALA HB3 . . . . . . . . . rr_2kk9 1 . 1 . 542 . 1 1 33 ALA N N -0.872 9.653 -6.593 . . . 1.0 . . . . . . . . . . . . A . 33 ALA N . . . . . . . . . rr_2kk9 1 . 1 . 543 . 1 1 33 ALA O O -2.693 11.977 -8.190 . . . 1.0 . . . . . . . . . . . . A . 33 ALA O . . . . . . . . . rr_2kk9 1 . 1 . 544 . 1 1 34 SER C C -1.660 15.288 -6.830 . . . 1.0 . . . . . . . . . . . . A . 34 SER C . . . . . . . . . rr_2kk9 1 . 1 . 545 . 1 1 34 SER CA C -2.240 13.975 -6.214 . . . 1.0 . . . . . . . . . . . . A . 34 SER CA . . . . . . . . . rr_2kk9 1 . 1 . 546 . 1 1 34 SER CB C -2.488 14.040 -4.685 . . . 1.0 . . . . . . . . . . . . A . 34 SER CB . . . . . . . . . rr_2kk9 1 . 1 . 547 . 1 1 34 SER H H -0.506 12.621 -6.029 . . . 1.0 . . . . . . . . . . . . A . 34 SER H . . . . . . . . . rr_2kk9 1 . 1 . 548 . 1 1 34 SER HA H -3.262 13.833 -6.620 . . . 1.0 . . . . . . . . . . . . A . 34 SER HA . . . . . . . . . rr_2kk9 1 . 1 . 549 . 1 1 34 SER HB2 H -3.206 14.849 -4.453 . . . 1.0 . . . . . . . . . . . . A . 34 SER HB2 . . . . . . . . . rr_2kk9 1 . 1 . 550 . 1 1 34 SER HB3 H -2.970 13.110 -4.327 . . . 1.0 . . . . . . . . . . . . A . 34 SER HB3 . . . . . . . . . rr_2kk9 1 . 1 . 551 . 1 1 34 SER HG H -1.561 14.307 -3.019 . . . 1.0 . . . . . . . . . . . . A . 34 SER HG . . . . . . . . . rr_2kk9 1 . 1 . 552 . 1 1 34 SER N N -1.396 12.785 -6.511 . . . 1.0 . . . . . . . . . . . . A . 34 SER N . . . . . . . . . rr_2kk9 1 . 1 . 553 . 1 1 34 SER O O -1.247 16.200 -6.105 . . . 1.0 . . . . . . . . . . . . A . 34 SER O . . . . . . . . . rr_2kk9 1 . 1 . 554 . 1 1 34 SER OG O -1.294 14.260 -3.940 . . . 1.0 . . . . . . . . . . . . A . 34 SER OG . . . . . . . . . rr_2kk9 1 . 1 . 555 . 1 1 35 ARG C C -2.179 17.805 -8.781 . . . 1.0 . . . . . . . . . . . . A . 35 ARG C . . . . . . . . . rr_2kk9 1 . 1 . 556 . 1 1 35 ARG CA C -1.195 16.614 -8.901 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CA . . . . . . . . . rr_2kk9 1 . 1 . 557 . 1 1 35 ARG CB C -0.991 16.209 -10.394 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CB . . . . . . . . . rr_2kk9 1 . 1 . 558 . 1 1 35 ARG CD C 1.322 15.682 -11.487 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CD . . . . . . . . . rr_2kk9 1 . 1 . 559 . 1 1 35 ARG CG C 0.111 15.150 -10.692 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CG . . . . . . . . . rr_2kk9 1 . 1 . 560 . 1 1 35 ARG CZ C 3.459 14.762 -12.419 . . . 1.0 . . . . . . . . . . . . A . 35 ARG CZ . . . . . . . . . rr_2kk9 1 . 1 . 561 . 1 1 35 ARG H H -1.709 14.539 -8.726 . . . 1.0 . . . . . . . . . . . . A . 35 ARG H . . . . . . . . . rr_2kk9 1 . 1 . 562 . 1 1 35 ARG HA H -0.242 16.940 -8.438 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HA . . . . . . . . . rr_2kk9 1 . 1 . 563 . 1 1 35 ARG HB2 H -1.952 15.806 -10.772 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HB2 . . . . . . . . . rr_2kk9 1 . 1 . 564 . 1 1 35 ARG HB3 H -0.846 17.099 -11.039 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HB3 . . . . . . . . . rr_2kk9 1 . 1 . 565 . 1 1 35 ARG HD2 H 0.981 16.095 -12.455 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HD2 . . . . . . . . . rr_2kk9 1 . 1 . 566 . 1 1 35 ARG HD3 H 1.795 16.518 -10.937 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HD3 . . . . . . . . . rr_2kk9 1 . 1 . 567 . 1 1 35 ARG HG2 H 0.463 14.656 -9.765 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HG2 . . . . . . . . . rr_2kk9 1 . 1 . 568 . 1 1 35 ARG HG3 H -0.370 14.324 -11.248 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HG3 . . . . . . . . . rr_2kk9 1 . 1 . 569 . 1 1 35 ARG HH11 H 3.191 16.699 -12.895 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HH11 . . . . . . . . . rr_2kk9 1 . 1 . 570 . 1 1 35 ARG HH12 H 4.722 15.892 -13.504 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HH12 . . . . . . . . . rr_2kk9 1 . 1 . 571 . 1 1 35 ARG HH21 H 3.953 12.851 -12.081 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HH21 . . . . . . . . . rr_2kk9 1 . 1 . 572 . 1 1 35 ARG HH22 H 5.123 13.859 -13.072 . . . 1.0 . . . . . . . . . . . . A . 35 ARG HH22 . . . . . . . . . rr_2kk9 1 . 1 . 573 . 1 1 35 ARG N N -1.672 15.407 -8.178 . . . 1.0 . . . . . . . . . . . . A . 35 ARG N . . . . . . . . . rr_2kk9 1 . 1 . 574 . 1 1 35 ARG NE N 2.319 14.608 -11.719 . . . 1.0 . . . . . . . . . . . . A . 35 ARG NE . . . . . . . . . rr_2kk9 1 . 1 . 575 . 1 1 35 ARG NH1 N 3.830 15.902 -12.999 . . . 1.0 . . . . . . . . . . . . A . 35 ARG NH1 . . . . . . . . . rr_2kk9 1 . 1 . 576 . 1 1 35 ARG NH2 N 4.259 13.718 -12.537 . . . 1.0 . . . . . . . . . . . . A . 35 ARG NH2 . . . . . . . . . rr_2kk9 1 . 1 . 577 . 1 1 35 ARG O O -1.882 18.790 -8.099 . . . 1.0 . . . . . . . . . . . . A . 35 ARG O . . . . . . . . . rr_2kk9 1 . 1 . 578 . 1 1 36 LYS C C -5.195 18.756 -8.075 . . . 1.0 . . . . . . . . . . . . A . 36 LYS C . . . . . . . . . rr_2kk9 1 . 1 . 579 . 1 1 36 LYS CA C -4.411 18.714 -9.426 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CA . . . . . . . . . rr_2kk9 1 . 1 . 580 . 1 1 36 LYS CB C -5.305 18.498 -10.691 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CB . . . . . . . . . rr_2kk9 1 . 1 . 581 . 1 1 36 LYS CD C -5.124 16.732 -12.632 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CD . . . . . . . . . rr_2kk9 1 . 1 . 582 . 1 1 36 LYS CE C -4.459 15.562 -11.885 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CE . . . . . . . . . rr_2kk9 1 . 1 . 583 . 1 1 36 LYS CG C -4.725 18.128 -12.106 . . . 1.0 . . . . . . . . . . . . A . 36 LYS CG . . . . . . . . . rr_2kk9 1 . 1 . 584 . 1 1 36 LYS H H -3.428 16.881 -10.058 . . . 1.0 . . . . . . . . . . . . A . 36 LYS H . . . . . . . . . rr_2kk9 1 . 1 . 585 . 1 1 36 LYS HA H -3.960 19.724 -9.482 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HA . . . . . . . . . rr_2kk9 1 . 1 . 586 . 1 1 36 LYS HB2 H -6.081 17.748 -10.449 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HB2 . . . . . . . . . rr_2kk9 1 . 1 . 587 . 1 1 36 LYS HB3 H -5.902 19.422 -10.806 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HB3 . . . . . . . . . rr_2kk9 1 . 1 . 588 . 1 1 36 LYS HD2 H -6.223 16.625 -12.599 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HD2 . . . . . . . . . rr_2kk9 1 . 1 . 589 . 1 1 36 LYS HD3 H -4.860 16.679 -13.705 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HD3 . . . . . . . . . rr_2kk9 1 . 1 . 590 . 1 1 36 LYS HE2 H -3.358 15.657 -11.924 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HE2 . . . . . . . . . rr_2kk9 1 . 1 . 591 . 1 1 36 LYS HE3 H -4.734 15.581 -10.814 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HE3 . . . . . . . . . rr_2kk9 1 . 1 . 592 . 1 1 36 LYS HG2 H -5.140 18.879 -12.760 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HG2 . . . . . . . . . rr_2kk9 1 . 1 . 593 . 1 1 36 LYS HG3 H -3.637 18.243 -12.315 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HG3 . . . . . . . . . rr_2kk9 1 . 1 . 594 . 1 1 36 LYS HZ1 H -4.613 14.228 -13.451 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HZ1 . . . . . . . . . rr_2kk9 1 . 1 . 595 . 1 1 36 LYS HZ2 H -5.872 14.155 -12.411 . . . 1.0 . . . . . . . . . . . . A . 36 LYS HZ2 . . . . . . . . . rr_2kk9 1 . 1 . 596 . 1 1 36 LYS N N -3.350 17.683 -9.426 . . . 1.0 . . . . . . . . . . . . A . 36 LYS N . . . . . . . . . rr_2kk9 1 . 1 . 597 . 1 1 36 LYS NZ N -4.853 14.263 -12.454 . . . 1.0 . . . . . . . . . . . . A . 36 LYS NZ . . . . . . . . . rr_2kk9 1 . 1 . 598 . 1 1 36 LYS O O -5.032 19.724 -7.324 . . . 1.0 . . . . . . . . . . . . A . 36 LYS O . . . . . . . . . rr_2kk9 1 . 1 . 599 . 1 1 37 GLY C C -8.144 16.975 -6.678 . . . 1.0 . . . . . . . . . . . . A . 37 GLY C . . . . . . . . . rr_2kk9 1 . 1 . 600 . 1 1 37 GLY CA C -6.792 17.688 -6.501 . . . 1.0 . . . . . . . . . . . . A . 37 GLY CA . . . . . . . . . rr_2kk9 1 . 1 . 601 . 1 1 37 GLY H H -6.072 17.022 -8.499 . . . 1.0 . . . . . . . . . . . . A . 37 GLY H . . . . . . . . . rr_2kk9 1 . 1 . 602 . 1 1 37 GLY HA2 H -6.199 17.157 -5.728 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA2 . . . . . . . . . rr_2kk9 1 . 1 . 603 . 1 1 37 GLY HA3 H -6.966 18.706 -6.092 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA3 . . . . . . . . . rr_2kk9 1 . 1 . 604 . 1 1 37 GLY N N -6.010 17.732 -7.761 . . . 1.0 . . . . . . . . . . . . A . 37 GLY N . . . . . . . . . rr_2kk9 1 . 1 . 605 . 1 1 37 GLY O O -8.275 15.799 -6.332 . . . 1.0 . . . . . . . . . . . . A . 37 GLY O . . . . . . . . . rr_2kk9 1 . 1 . 606 . 1 1 38 LEU C C -10.644 17.419 -8.991 . . . 1.0 . . . . . . . . . . . . A . 38 LEU C . . . . . . . . . rr_2kk9 1 . 1 . 607 . 1 1 38 LEU CA C -10.509 17.217 -7.445 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CA . . . . . . . . . rr_2kk9 1 . 1 . 608 . 1 1 38 LEU CB C -11.406 18.104 -6.506 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CB . . . . . . . . . rr_2kk9 1 . 1 . 609 . 1 1 38 LEU CD1 C -13.493 18.779 -7.794 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CD1 . . . . . . . . . rr_2kk9 1 . 1 . 610 . 1 1 38 LEU CD2 C -13.506 16.580 -6.512 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CD2 . . . . . . . . . rr_2kk9 1 . 1 . 611 . 1 1 38 LEU CG C -12.950 18.013 -6.580 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CG . . . . . . . . . rr_2kk9 1 . 1 . 612 . 1 1 38 LEU H H -8.965 18.676 -7.483 . . . 1.0 . . . . . . . . . . . . A . 38 LEU H . . . . . . . . . rr_2kk9 1 . 1 . 613 . 1 1 38 LEU HA H -10.648 16.148 -7.151 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HA . . . . . . . . . rr_2kk9 1 . 1 . 614 . 1 1 38 LEU HB2 H -11.132 17.894 -5.452 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 615 . 1 1 38 LEU HB3 H -11.142 19.182 -6.607 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 616 . 1 1 38 LEU HD11 H -13.335 18.220 -8.734 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD11 . . . . . . . . . rr_2kk9 1 . 1 . 617 . 1 1 38 LEU HD12 H -14.571 18.975 -7.699 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD12 . . . . . . . . . rr_2kk9 1 . 1 . 618 . 1 1 38 LEU HD13 H -12.986 19.758 -7.910 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD13 . . . . . . . . . rr_2kk9 1 . 1 . 619 . 1 1 38 LEU HD21 H -14.611 16.572 -6.452 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD21 . . . . . . . . . rr_2kk9 1 . 1 . 620 . 1 1 38 LEU HD22 H -13.131 16.037 -5.625 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD22 . . . . . . . . . rr_2kk9 1 . 1 . 621 . 1 1 38 LEU HD23 H -13.224 15.993 -7.404 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD23 . . . . . . . . . rr_2kk9 1 . 1 . 622 . 1 1 38 LEU HG H -13.332 18.544 -5.687 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HG . . . . . . . . . rr_2kk9 1 . 1 . 623 . 1 1 38 LEU N N -9.145 17.713 -7.189 . . . 1.0 . . . . . . . . . . . . A . 38 LEU N . . . . . . . . . rr_2kk9 1 . 1 . 624 . 1 1 38 LEU O O -11.007 18.515 -9.435 . . . 1.0 . . . . . . . . . . . . A . 38 LEU O . . . . . . . . . rr_2kk9 1 . 1 . 625 . 1 1 39 ARG C C -10.994 15.209 -11.868 . . . 1.0 . . . . . . . . . . . . A . 39 ARG C . . . . . . . . . rr_2kk9 1 . 1 . 626 . 1 1 39 ARG CA C -10.394 16.529 -11.297 . . . 1.0 . . . . . . . . . . . . A . 39 ARG CA . . . . . . . . . rr_2kk9 1 . 1 . 627 . 1 1 39 ARG CB C -8.984 17.020 -11.787 . . . 1.0 . . . . . . . . . . . . A . 39 ARG CB . . . . . . . . . rr_2kk9 1 . 1 . 628 . 1 1 39 ARG CD C -9.369 19.314 -13.014 . . . 1.0 . . . . . . . . . . . . A . 39 ARG CD . . . . . . . . . rr_2kk9 1 . 1 . 629 . 1 1 39 ARG CG C -8.984 17.818 -13.111 . . . 1.0 . . . . . . . . . . . . A . 39 ARG CG . . . . . . . . . rr_2kk9 1 . 1 . 630 . 1 1 39 ARG CZ C -8.468 21.442 -12.037 . . . 1.0 . . . . . . . . . . . . A . 39 ARG CZ . . . . . . . . . rr_2kk9 1 . 1 . 631 . 1 1 39 ARG H H -9.520 15.812 -9.522 . . . 1.0 . . . . . . . . . . . . A . 39 ARG H . . . . . . . . . rr_2kk9 1 . 1 . 632 . 1 1 39 ARG HA H -11.136 17.282 -11.601 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HA . . . . . . . . . rr_2kk9 1 . 1 . 633 . 1 1 39 ARG HB2 H -8.462 17.635 -11.024 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HB2 . . . . . . . . . rr_2kk9 1 . 1 . 634 . 1 1 39 ARG HB3 H -8.323 16.140 -11.898 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HB3 . . . . . . . . . rr_2kk9 1 . 1 . 635 . 1 1 39 ARG HD2 H -9.497 19.715 -14.037 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HD2 . . . . . . . . . rr_2kk9 1 . 1 . 636 . 1 1 39 ARG HD3 H -10.357 19.416 -12.524 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HD3 . . . . . . . . . rr_2kk9 1 . 1 . 637 . 1 1 39 ARG HG2 H -7.979 17.736 -13.564 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HG2 . . . . . . . . . rr_2kk9 1 . 1 . 638 . 1 1 39 ARG HG3 H -9.658 17.314 -13.827 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HG3 . . . . . . . . . rr_2kk9 1 . 1 . 639 . 1 1 39 ARG HH11 H -10.268 21.701 -12.900 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HH11 . . . . . . . . . rr_2kk9 1 . 1 . 640 . 1 1 39 ARG HH12 H -9.486 23.175 -12.137 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HH12 . . . . . . . . . rr_2kk9 1 . 1 . 641 . 1 1 39 ARG HH21 H -6.687 21.441 -11.122 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HH21 . . . . . . . . . rr_2kk9 1 . 1 . 642 . 1 1 39 ARG HH22 H -7.593 23.035 -11.198 . . . 1.0 . . . . . . . . . . . . A . 39 ARG HH22 . . . . . . . . . rr_2kk9 1 . 1 . 643 . 1 1 39 ARG N N -10.297 16.407 -9.826 . . . 1.0 . . . . . . . . . . . . A . 39 ARG N . . . . . . . . . rr_2kk9 1 . 1 . 644 . 1 1 39 ARG NE N -8.353 20.126 -12.299 . . . 1.0 . . . . . . . . . . . . A . 39 ARG NE . . . . . . . . . rr_2kk9 1 . 1 . 645 . 1 1 39 ARG NH1 N -9.516 22.182 -12.395 . . . 1.0 . . . . . . . . . . . . A . 39 ARG NH1 . . . . . . . . . rr_2kk9 1 . 1 . 646 . 1 1 39 ARG NH2 N -7.483 22.033 -11.387 . . . 1.0 . . . . . . . . . . . . A . 39 ARG NH2 . . . . . . . . . rr_2kk9 1 . 1 . 647 . 1 1 39 ARG O O -12.051 14.735 -11.437 . . . 1.0 . . . . . . . . . . . . A . 39 ARG O . . . . . . . . . rr_2kk9 1 . 1 . 648 . 1 1 40 ARG C C -10.109 12.123 -12.909 . . . 1.0 . . . . . . . . . . . . A . 40 ARG C . . . . . . . . . rr_2kk9 1 . 1 . 649 . 1 1 40 ARG CA C -10.676 13.407 -13.572 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CA . . . . . . . . . rr_2kk9 1 . 1 . 650 . 1 1 40 ARG CB C -10.281 13.574 -15.061 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CB . . . . . . . . . rr_2kk9 1 . 1 . 651 . 1 1 40 ARG CD C -10.577 12.702 -17.511 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CD . . . . . . . . . rr_2kk9 1 . 1 . 652 . 1 1 40 ARG CG C -10.913 12.528 -16.009 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CG . . . . . . . . . rr_2kk9 1 . 1 . 653 . 1 1 40 ARG CZ C -12.367 14.043 -18.670 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CZ . . . . . . . . . rr_2kk9 1 . 1 . 654 . 1 1 40 ARG H H -9.504 15.266 -13.068 . . . 1.0 . . . . . . . . . . . . A . 40 ARG H . . . . . . . . . rr_2kk9 1 . 1 . 655 . 1 1 40 ARG HA H -11.775 13.316 -13.561 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HA . . . . . . . . . rr_2kk9 1 . 1 . 656 . 1 1 40 ARG HB2 H -10.595 14.580 -15.399 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HB2 . . . . . . . . . rr_2kk9 1 . 1 . 657 . 1 1 40 ARG HB3 H -9.179 13.563 -15.167 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HB3 . . . . . . . . . rr_2kk9 1 . 1 . 658 . 1 1 40 ARG HD2 H -9.478 12.719 -17.639 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HD2 . . . . . . . . . rr_2kk9 1 . 1 . 659 . 1 1 40 ARG HD3 H -10.906 11.805 -18.070 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HD3 . . . . . . . . . rr_2kk9 1 . 1 . 660 . 1 1 40 ARG HG2 H -10.581 11.521 -15.696 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HG2 . . . . . . . . . rr_2kk9 1 . 1 . 661 . 1 1 40 ARG HG3 H -12.011 12.521 -15.874 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HG3 . . . . . . . . . rr_2kk9 1 . 1 . 662 . 1 1 40 ARG HH11 H -12.949 12.146 -18.334 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HH11 . . . . . . . . . rr_2kk9 1 . 1 . 663 . 1 1 40 ARG HH12 H -14.149 13.253 -19.172 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HH12 . . . . . . . . . rr_2kk9 1 . 1 . 664 . 1 1 40 ARG HH21 H -12.028 15.966 -19.112 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HH21 . . . . . . . . . rr_2kk9 1 . 1 . 665 . 1 1 40 ARG HH22 H -13.660 15.270 -19.582 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HH22 . . . . . . . . . rr_2kk9 1 . 1 . 666 . 1 1 40 ARG N N -10.303 14.660 -12.863 . . . 1.0 . . . . . . . . . . . . A . 40 ARG N . . . . . . . . . rr_2kk9 1 . 1 . 667 . 1 1 40 ARG NE N -11.139 13.935 -18.124 . . . 1.0 . . . . . . . . . . . . A . 40 ARG NE . . . . . . . . . rr_2kk9 1 . 1 . 668 . 1 1 40 ARG NH1 N -13.246 13.044 -18.731 . . . 1.0 . . . . . . . . . . . . A . 40 ARG NH1 . . . . . . . . . rr_2kk9 1 . 1 . 669 . 1 1 40 ARG NH2 N -12.721 15.211 -19.173 . . . 1.0 . . . . . . . . . . . . A . 40 ARG NH2 . . . . . . . . . rr_2kk9 1 . 1 . 670 . 1 1 40 ARG O O -10.890 11.284 -12.455 . . . 1.0 . . . . . . . . . . . . A . 40 ARG O . . . . . . . . . rr_2kk9 1 . 1 . 671 . 1 1 41 ASP C C -8.339 10.604 -10.733 . . . 1.0 . . . . . . . . . . . . A . 41 ASP C . . . . . . . . . rr_2kk9 1 . 1 . 672 . 1 1 41 ASP CA C -8.082 10.800 -12.259 . . . 1.0 . . . . . . . . . . . . A . 41 ASP CA . . . . . . . . . rr_2kk9 1 . 1 . 673 . 1 1 41 ASP CB C -6.559 10.810 -12.570 . . . 1.0 . . . . . . . . . . . . A . 41 ASP CB . . . . . . . . . rr_2kk9 1 . 1 . 674 . 1 1 41 ASP CG C -6.193 10.640 -14.054 . . . 1.0 . . . . . . . . . . . . A . 41 ASP CG . . . . . . . . . rr_2kk9 1 . 1 . 675 . 1 1 41 ASP H H -8.266 12.766 -13.288 . . . 1.0 . . . . . . . . . . . . A . 41 ASP H . . . . . . . . . rr_2kk9 1 . 1 . 676 . 1 1 41 ASP HA H -8.496 9.902 -12.759 . . . 1.0 . . . . . . . . . . . . A . 41 ASP HA . . . . . . . . . rr_2kk9 1 . 1 . 677 . 1 1 41 ASP HB2 H -6.090 11.726 -12.166 . . . 1.0 . . . . . . . . . . . . A . 41 ASP HB2 . . . . . . . . . rr_2kk9 1 . 1 . 678 . 1 1 41 ASP HB3 H -6.066 9.983 -12.023 . . . 1.0 . . . . . . . . . . . . A . 41 ASP HB3 . . . . . . . . . rr_2kk9 1 . 1 . 679 . 1 1 41 ASP HD2 H -5.720 11.729 -15.596 . . . 1.0 . . . . . . . . . . . . A . 41 ASP HD2 . . . . . . . . . rr_2kk9 1 . 1 . 680 . 1 1 41 ASP N N -8.771 11.983 -12.862 . . . 1.0 . . . . . . . . . . . . A . 41 ASP N . . . . . . . . . rr_2kk9 1 . 1 . 681 . 1 1 41 ASP O O -8.689 9.488 -10.336 . . . 1.0 . . . . . . . . . . . . A . 41 ASP O . . . . . . . . . rr_2kk9 1 . 1 . 682 . 1 1 41 ASP OD1 O -6.140 9.547 -14.617 . . . 1.0 . . . . . . . . . . . . A . 41 ASP OD1 . . . . . . . . . rr_2kk9 1 . 1 . 683 . 1 1 41 ASP OD2 O -5.941 11.840 -14.669 . . . 1.0 . . . . . . . . . . . . A . 41 ASP OD2 . . . . . . . . . rr_2kk9 1 . 1 . 684 . 1 1 42 LEU C C -9.948 11.265 -8.097 . . . 1.0 . . . . . . . . . . . . A . 42 LEU C . . . . . . . . . rr_2kk9 1 . 1 . 685 . 1 1 42 LEU CA C -8.457 11.576 -8.431 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CA . . . . . . . . . rr_2kk9 1 . 1 . 686 . 1 1 42 LEU CB C -7.956 12.842 -7.668 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CB . . . . . . . . . rr_2kk9 1 . 1 . 687 . 1 1 42 LEU CD1 C -5.747 11.869 -6.734 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CD1 . . . . . . . . . rr_2kk9 1 . 1 . 688 . 1 1 42 LEU CD2 C -5.670 13.484 -8.714 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CD2 . . . . . . . . . rr_2kk9 1 . 1 . 689 . 1 1 42 LEU CG C -6.430 13.057 -7.444 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CG . . . . . . . . . rr_2kk9 1 . 1 . 690 . 1 1 42 LEU H H -7.804 12.503 -10.315 . . . 1.0 . . . . . . . . . . . . A . 42 LEU H . . . . . . . . . rr_2kk9 1 . 1 . 691 . 1 1 42 LEU HA H -7.875 10.722 -8.061 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HA . . . . . . . . . rr_2kk9 1 . 1 . 692 . 1 1 42 LEU HB2 H -8.387 13.748 -8.137 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 693 . 1 1 42 LEU HB3 H -8.409 12.835 -6.657 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 694 . 1 1 42 LEU HD11 H -4.724 12.120 -6.403 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD11 . . . . . . . . . rr_2kk9 1 . 1 . 695 . 1 1 42 LEU HD12 H -5.664 10.981 -7.388 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD12 . . . . . . . . . rr_2kk9 1 . 1 . 696 . 1 1 42 LEU HD13 H -6.302 11.561 -5.829 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD13 . . . . . . . . . rr_2kk9 1 . 1 . 697 . 1 1 42 LEU HD21 H -4.638 13.802 -8.484 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD21 . . . . . . . . . rr_2kk9 1 . 1 . 698 . 1 1 42 LEU HD22 H -5.600 12.670 -9.458 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD22 . . . . . . . . . rr_2kk9 1 . 1 . 699 . 1 1 42 LEU HD23 H -6.160 14.343 -9.209 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD23 . . . . . . . . . rr_2kk9 1 . 1 . 700 . 1 1 42 LEU HG H -6.349 13.914 -6.749 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HG . . . . . . . . . rr_2kk9 1 . 1 . 701 . 1 1 42 LEU N N -8.187 11.655 -9.894 . . . 1.0 . . . . . . . . . . . . A . 42 LEU N . . . . . . . . . rr_2kk9 1 . 1 . 702 . 1 1 42 LEU O O -10.212 10.319 -7.349 . . . 1.0 . . . . . . . . . . . . A . 42 LEU O . . . . . . . . . rr_2kk9 1 . 1 . 703 . 1 1 43 ASP C C -12.930 11.052 -9.700 . . . 1.0 . . . . . . . . . . . . A . 43 ASP C . . . . . . . . . rr_2kk9 1 . 1 . 704 . 1 1 43 ASP CA C -12.352 11.821 -8.458 . . . 1.0 . . . . . . . . . . . . A . 43 ASP CA . . . . . . . . . rr_2kk9 1 . 1 . 705 . 1 1 43 ASP CB C -12.993 13.209 -8.175 . . . 1.0 . . . . . . . . . . . . A . 43 ASP CB . . . . . . . . . rr_2kk9 1 . 1 . 706 . 1 1 43 ASP CG C -14.453 13.156 -7.700 . . . 1.0 . . . . . . . . . . . . A . 43 ASP CG . . . . . . . . . rr_2kk9 1 . 1 . 707 . 1 1 43 ASP H H -10.519 12.764 -9.278 . . . 1.0 . . . . . . . . . . . . A . 43 ASP H . . . . . . . . . rr_2kk9 1 . 1 . 708 . 1 1 43 ASP HA H -12.535 11.231 -7.534 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HA . . . . . . . . . rr_2kk9 1 . 1 . 709 . 1 1 43 ASP HB2 H -12.423 13.729 -7.380 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HB2 . . . . . . . . . rr_2kk9 1 . 1 . 710 . 1 1 43 ASP HB3 H -12.906 13.867 -9.061 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HB3 . . . . . . . . . rr_2kk9 1 . 1 . 711 . 1 1 43 ASP HD2 H -16.240 13.562 -8.357 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HD2 . . . . . . . . . rr_2kk9 1 . 1 . 712 . 1 1 43 ASP N N -10.896 12.043 -8.656 . . . 1.0 . . . . . . . . . . . . A . 43 ASP N . . . . . . . . . rr_2kk9 1 . 1 . 713 . 1 1 43 ASP O O -13.761 11.595 -10.436 . . . 1.0 . . . . . . . . . . . . A . 43 ASP O . . . . . . . . . rr_2kk9 1 . 1 . 714 . 1 1 43 ASP OD1 O -14.787 12.768 -6.581 . . . 1.0 . . . . . . . . . . . . A . 43 ASP OD1 . . . . . . . . . rr_2kk9 1 . 1 . 715 . 1 1 43 ASP OD2 O -15.330 13.592 -8.660 . . . 1.0 . . . . . . . . . . . . A . 43 ASP OD2 . . . . . . . . . rr_2kk9 1 . 1 . 716 . 1 1 44 ALA C C -14.245 8.120 -10.664 . . . 1.0 . . . . . . . . . . . . A . 44 ALA C . . . . . . . . . rr_2kk9 1 . 1 . 717 . 1 1 44 ALA CA C -12.994 8.951 -11.062 . . . 1.0 . . . . . . . . . . . . A . 44 ALA CA . . . . . . . . . rr_2kk9 1 . 1 . 718 . 1 1 44 ALA CB C -11.818 8.118 -11.623 . . . 1.0 . . . . . . . . . . . . A . 44 ALA CB . . . . . . . . . rr_2kk9 1 . 1 . 719 . 1 1 44 ALA H H -11.694 9.464 -9.387 . . . 1.0 . . . . . . . . . . . . A . 44 ALA H . . . . . . . . . rr_2kk9 1 . 1 . 720 . 1 1 44 ALA HA H -13.302 9.605 -11.894 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HA . . . . . . . . . rr_2kk9 1 . 1 . 721 . 1 1 44 ALA HB1 H -11.398 7.423 -10.871 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB1 . . . . . . . . . rr_2kk9 1 . 1 . 722 . 1 1 44 ALA HB2 H -10.986 8.754 -11.974 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB2 . . . . . . . . . rr_2kk9 1 . 1 . 723 . 1 1 44 ALA HB3 H -12.136 7.507 -12.488 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB3 . . . . . . . . . rr_2kk9 1 . 1 . 724 . 1 1 44 ALA N N -12.504 9.783 -9.930 . . . 1.0 . . . . . . . . . . . . A . 44 ALA N . . . . . . . . . rr_2kk9 1 . 1 . 725 . 1 1 44 ALA O O -15.354 8.447 -11.096 . . . 1.0 . . . . . . . . . . . . A . 44 ALA O . . . . . . . . . rr_2kk9 1 . 1 . 726 . 1 1 45 SER C C -15.036 6.151 -7.820 . . . 1.0 . . . . . . . . . . . . A . 45 SER C . . . . . . . . . rr_2kk9 1 . 1 . 727 . 1 1 45 SER CA C -15.150 6.187 -9.372 . . . 1.0 . . . . . . . . . . . . A . 45 SER CA . . . . . . . . . rr_2kk9 1 . 1 . 728 . 1 1 45 SER CB C -15.107 4.864 -10.202 . . . 1.0 . . . . . . . . . . . . A . 45 SER CB . . . . . . . . . rr_2kk9 1 . 1 . 729 . 1 1 45 SER H H -13.088 6.891 -9.585 . . . 1.0 . . . . . . . . . . . . A . 45 SER H . . . . . . . . . rr_2kk9 1 . 1 . 730 . 1 1 45 SER HA H -16.150 6.594 -9.538 . . . 1.0 . . . . . . . . . . . . A . 45 SER HA . . . . . . . . . rr_2kk9 1 . 1 . 731 . 1 1 45 SER HB2 H -14.129 4.356 -10.098 . . . 1.0 . . . . . . . . . . . . A . 45 SER HB2 . . . . . . . . . rr_2kk9 1 . 1 . 732 . 1 1 45 SER HB3 H -15.859 4.151 -9.818 . . . 1.0 . . . . . . . . . . . . A . 45 SER HB3 . . . . . . . . . rr_2kk9 1 . 1 . 733 . 1 1 45 SER HG H -14.674 5.668 -11.896 . . . 1.0 . . . . . . . . . . . . A . 45 SER HG . . . . . . . . . rr_2kk9 1 . 1 . 734 . 1 1 45 SER N N -14.061 7.069 -9.845 . . . 1.0 . . . . . . . . . . . . A . 45 SER N . . . . . . . . . rr_2kk9 1 . 1 . 735 . 1 1 45 SER O O -15.132 7.172 -7.130 . . . 1.0 . . . . . . . . . . . . A . 45 SER O . . . . . . . . . rr_2kk9 1 . 1 . 736 . 1 1 45 SER OG O -15.375 5.092 -11.583 . . . 1.0 . . . . . . . . . . . . A . 45 SER OG . . . . . . . . . rr_2kk9 1 . 1 . 737 . 1 1 46 ARG C C -13.385 3.749 -5.857 . . . 1.0 . . . . . . . . . . . . A . 46 ARG C . . . . . . . . . rr_2kk9 1 . 1 . 738 . 1 1 46 ARG CA C -14.688 4.607 -5.887 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CA . . . . . . . . . rr_2kk9 1 . 1 . 739 . 1 1 46 ARG CB C -15.966 3.815 -5.476 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CB . . . . . . . . . rr_2kk9 1 . 1 . 740 . 1 1 46 ARG CD C -17.074 5.391 -3.721 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CD . . . . . . . . . rr_2kk9 1 . 1 . 741 . 1 1 46 ARG CG C -17.196 4.663 -5.079 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CG . . . . . . . . . rr_2kk9 1 . 1 . 742 . 1 1 46 ARG CZ C -18.488 7.471 -3.782 . . . 1.0 . . . . . . . . . . . . A . 46 ARG CZ . . . . . . . . . rr_2kk9 1 . 1 . 743 . 1 1 46 ARG H H -14.954 4.245 -8.044 . . . 1.0 . . . . . . . . . . . . A . 46 ARG H . . . . . . . . . rr_2kk9 1 . 1 . 744 . 1 1 46 ARG HA H -14.600 5.506 -5.251 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HA . . . . . . . . . rr_2kk9 1 . 1 . 745 . 1 1 46 ARG HB2 H -16.268 3.126 -6.289 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HB2 . . . . . . . . . rr_2kk9 1 . 1 . 746 . 1 1 46 ARG HB3 H -15.724 3.117 -4.665 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HB3 . . . . . . . . . rr_2kk9 1 . 1 . 747 . 1 1 46 ARG HD2 H -16.931 4.650 -2.915 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HD2 . . . . . . . . . rr_2kk9 1 . 1 . 748 . 1 1 46 ARG HD3 H -16.167 6.023 -3.689 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HD3 . . . . . . . . . rr_2kk9 1 . 1 . 749 . 1 1 46 ARG HG2 H -17.410 5.388 -5.887 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HG2 . . . . . . . . . rr_2kk9 1 . 1 . 750 . 1 1 46 ARG HG3 H -18.075 3.993 -5.050 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HG3 . . . . . . . . . rr_2kk9 1 . 1 . 751 . 1 1 46 ARG HH11 H -16.767 7.700 -4.802 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH11 . . . . . . . . . rr_2kk9 1 . 1 . 752 . 1 1 46 ARG HH12 H -17.905 9.139 -4.747 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH12 . . . . . . . . . rr_2kk9 1 . 1 . 753 . 1 1 46 ARG HH21 H -20.254 7.494 -2.838 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH21 . . . . . . . . . rr_2kk9 1 . 1 . 754 . 1 1 46 ARG HH22 H -19.746 9.027 -3.710 . . . 1.0 . . . . . . . . . . . . A . 46 ARG HH22 . . . . . . . . . rr_2kk9 1 . 1 . 755 . 1 1 46 ARG N N -14.856 4.942 -7.312 . . . 1.0 . . . . . . . . . . . . A . 46 ARG N . . . . . . . . . rr_2kk9 1 . 1 . 756 . 1 1 46 ARG NE N -18.280 6.194 -3.398 . . . 1.0 . . . . . . . . . . . . A . 46 ARG NE . . . . . . . . . rr_2kk9 1 . 1 . 757 . 1 1 46 ARG NH1 N -17.632 8.176 -4.520 . . . 1.0 . . . . . . . . . . . . A . 46 ARG NH1 . . . . . . . . . rr_2kk9 1 . 1 . 758 . 1 1 46 ARG NH2 N -19.610 8.056 -3.406 . . . 1.0 . . . . . . . . . . . . A . 46 ARG NH2 . . . . . . . . . rr_2kk9 1 . 1 . 759 . 1 1 46 ARG O O -13.480 2.524 -5.764 . . . 1.0 . . . . . . . . . . . . A . 46 ARG O . . . . . . . . . rr_2kk9 1 . 1 . 760 . 1 1 47 GLU C C -10.750 2.663 -7.190 . . . 1.0 . . . . . . . . . . . . A . 47 GLU C . . . . . . . . . rr_2kk9 1 . 1 . 761 . 1 1 47 GLU CA C -10.865 3.602 -5.927 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CA . . . . . . . . . rr_2kk9 1 . 1 . 762 . 1 1 47 GLU CB C -10.581 2.882 -4.560 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CB . . . . . . . . . rr_2kk9 1 . 1 . 763 . 1 1 47 GLU CD C -8.946 4.500 -3.372 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CD . . . . . . . . . rr_2kk9 1 . 1 . 764 . 1 1 47 GLU CG C -10.310 3.799 -3.346 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CG . . . . . . . . . rr_2kk9 1 . 1 . 765 . 1 1 47 GLU H H -12.155 5.361 -6.125 . . . 1.0 . . . . . . . . . . . . A . 47 GLU H . . . . . . . . . rr_2kk9 1 . 1 . 766 . 1 1 47 GLU HA H -10.074 4.361 -6.027 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HA . . . . . . . . . rr_2kk9 1 . 1 . 767 . 1 1 47 GLU HB2 H -11.420 2.208 -4.299 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 768 . 1 1 47 GLU HB3 H -9.724 2.186 -4.656 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 769 . 1 1 47 GLU HE2 H -8.164 6.203 -3.898 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HE2 . . . . . . . . . rr_2kk9 1 . 1 . 770 . 1 1 47 GLU HG2 H -11.122 4.541 -3.230 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HG2 . . . . . . . . . rr_2kk9 1 . 1 . 771 . 1 1 47 GLU HG3 H -10.354 3.186 -2.427 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HG3 . . . . . . . . . rr_2kk9 1 . 1 . 772 . 1 1 47 GLU N N -12.166 4.353 -5.934 . . . 1.0 . . . . . . . . . . . . A . 47 GLU N . . . . . . . . . rr_2kk9 1 . 1 . 773 . 1 1 47 GLU O O -10.385 1.493 -7.043 . . . 1.0 . . . . . . . . . . . . A . 47 GLU O . . . . . . . . . rr_2kk9 1 . 1 . 774 . 1 1 47 GLU OE1 O -7.910 3.972 -2.971 . . . 1.0 . . . . . . . . . . . . A . 47 GLU OE1 . . . . . . . . . rr_2kk9 1 . 1 . 775 . 1 1 47 GLU OE2 O -9.020 5.769 -3.886 . . . 1.0 . . . . . . . . . . . . A . 47 GLU OE2 . . . . . . . . . rr_2kk9 1 . 1 . 776 . 1 1 48 ALA C C -11.969 1.130 -9.624 . . . 1.0 . . . . . . . . . . . . A . 48 ALA C . . . . . . . . . rr_2kk9 1 . 1 . 777 . 1 1 48 ALA CA C -10.956 2.328 -9.707 . . . 1.0 . . . . . . . . . . . . A . 48 ALA CA . . . . . . . . . rr_2kk9 1 . 1 . 778 . 1 1 48 ALA CB C -9.497 1.918 -10.028 . . . 1.0 . . . . . . . . . . . . A . 48 ALA CB . . . . . . . . . rr_2kk9 1 . 1 . 779 . 1 1 48 ALA H H -11.350 4.139 -8.412 . . . 1.0 . . . . . . . . . . . . A . 48 ALA H . . . . . . . . . rr_2kk9 1 . 1 . 780 . 1 1 48 ALA HA H -11.259 2.901 -10.618 . . . 1.0 . . . . . . . . . . . . A . 48 ALA HA . . . . . . . . . rr_2kk9 1 . 1 . 781 . 1 1 48 ALA HB1 H -9.434 1.380 -10.992 . . . 1.0 . . . . . . . . . . . . A . 48 ALA HB1 . . . . . . . . . rr_2kk9 1 . 1 . 782 . 1 1 48 ALA HB2 H -9.063 1.252 -9.260 . . . 1.0 . . . . . . . . . . . . A . 48 ALA HB2 . . . . . . . . . rr_2kk9 1 . 1 . 783 . 1 1 48 ALA HB3 H -8.835 2.800 -10.112 . . . 1.0 . . . . . . . . . . . . A . 48 ALA HB3 . . . . . . . . . rr_2kk9 1 . 1 . 784 . 1 1 48 ALA N N -11.021 3.162 -8.438 . . . 1.0 . . . . . . . . . . . . A . 48 ALA N . . . . . . . . . rr_2kk9 1 . 1 . 785 . 1 1 48 ALA O O -11.598 -0.020 -9.880 . . . 1.0 . . . . . . . . . . . . A . 48 ALA O . . . . . . . . . rr_2kk9 1 . 1 . 786 . 1 1 49 LYS C C -13.990 -0.688 -8.022 . . . 1.0 . . . . . . . . . . . . A . 49 LYS C . . . . . . . . . rr_2kk9 1 . 1 . 787 . 1 1 49 LYS CA C -14.337 0.382 -9.130 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CA . . . . . . . . . rr_2kk9 1 . 1 . 788 . 1 1 49 LYS CB C -14.776 -0.213 -10.497 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CB . . . . . . . . . rr_2kk9 1 . 1 . 789 . 1 1 49 LYS CD C -16.223 0.232 -12.634 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CD . . . . . . . . . rr_2kk9 1 . 1 . 790 . 1 1 49 LYS CE C -17.590 -0.355 -12.216 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CE . . . . . . . . . rr_2kk9 1 . 1 . 791 . 1 1 49 LYS CG C -15.385 0.818 -11.480 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CG . . . . . . . . . rr_2kk9 1 . 1 . 792 . 1 1 49 LYS H H -13.454 2.388 -9.032 . . . 1.0 . . . . . . . . . . . . A . 49 LYS H . . . . . . . . . rr_2kk9 1 . 1 . 793 . 1 1 49 LYS HA H -15.248 0.913 -8.784 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HA . . . . . . . . . rr_2kk9 1 . 1 . 794 . 1 1 49 LYS HB2 H -13.936 -0.743 -10.981 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HB2 . . . . . . . . . rr_2kk9 1 . 1 . 795 . 1 1 49 LYS HB3 H -15.530 -0.990 -10.284 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HB3 . . . . . . . . . rr_2kk9 1 . 1 . 796 . 1 1 49 LYS HD2 H -16.421 1.062 -13.339 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HD2 . . . . . . . . . rr_2kk9 1 . 1 . 797 . 1 1 49 LYS HD3 H -15.628 -0.492 -13.225 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HD3 . . . . . . . . . rr_2kk9 1 . 1 . 798 . 1 1 49 LYS HE2 H -17.992 0.181 -11.334 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HE2 . . . . . . . . . rr_2kk9 1 . 1 . 799 . 1 1 49 LYS HE3 H -18.321 -0.184 -13.024 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HE3 . . . . . . . . . rr_2kk9 1 . 1 . 800 . 1 1 49 LYS HG2 H -16.012 1.544 -10.928 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HG2 . . . . . . . . . rr_2kk9 1 . 1 . 801 . 1 1 49 LYS HG3 H -14.564 1.425 -11.906 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HG3 . . . . . . . . . rr_2kk9 1 . 1 . 802 . 1 1 49 LYS HZ1 H -16.873 -1.993 -11.182 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HZ1 . . . . . . . . . rr_2kk9 1 . 1 . 803 . 1 1 49 LYS HZ2 H -17.197 -2.311 -12.752 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HZ2 . . . . . . . . . rr_2kk9 1 . 1 . 804 . 1 1 49 LYS N N -13.256 1.409 -9.270 . . . 1.0 . . . . . . . . . . . . A . 49 LYS N . . . . . . . . . rr_2kk9 1 . 1 . 805 . 1 1 49 LYS NZ N -17.546 -1.802 -11.932 . . . 1.0 . . . . . . . . . . . . A . 49 LYS NZ . . . . . . . . . rr_2kk9 1 . 1 . 806 . 1 1 49 LYS O O -14.096 -1.894 -8.267 . . . 1.0 . . . . . . . . . . . . A . 49 LYS O . . . . . . . . . rr_2kk9 1 . 1 . 807 . 1 1 50 LYS C C -14.142 -0.904 -4.445 . . . 1.0 . . . . . . . . . . . . A . 50 LYS C . . . . . . . . . rr_2kk9 1 . 1 . 808 . 1 1 50 LYS CA C -13.212 -1.126 -5.665 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CA . . . . . . . . . rr_2kk9 1 . 1 . 809 . 1 1 50 LYS CB C -11.694 -0.995 -5.305 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CB . . . . . . . . . rr_2kk9 1 . 1 . 810 . 1 1 50 LYS CD C -10.706 -3.183 -6.298 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CD . . . . . . . . . rr_2kk9 1 . 1 . 811 . 1 1 50 LYS CE C -9.789 -3.770 -7.383 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CE . . . . . . . . . rr_2kk9 1 . 1 . 812 . 1 1 50 LYS CG C -10.719 -1.640 -6.316 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CG . . . . . . . . . rr_2kk9 1 . 1 . 813 . 1 1 50 LYS H H -13.445 0.785 -6.759 . . . 1.0 . . . . . . . . . . . . A . 50 LYS H . . . . . . . . . rr_2kk9 1 . 1 . 814 . 1 1 50 LYS HA H -13.399 -2.173 -5.966 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HA . . . . . . . . . rr_2kk9 1 . 1 . 815 . 1 1 50 LYS HB2 H -11.447 0.077 -5.213 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB2 . . . . . . . . . rr_2kk9 1 . 1 . 816 . 1 1 50 LYS HB3 H -11.461 -1.392 -4.291 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB3 . . . . . . . . . rr_2kk9 1 . 1 . 817 . 1 1 50 LYS HD2 H -10.386 -3.533 -5.297 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD2 . . . . . . . . . rr_2kk9 1 . 1 . 818 . 1 1 50 LYS HD3 H -11.731 -3.574 -6.442 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD3 . . . . . . . . . rr_2kk9 1 . 1 . 819 . 1 1 50 LYS HE2 H -10.143 -3.460 -8.384 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE2 . . . . . . . . . rr_2kk9 1 . 1 . 820 . 1 1 50 LYS HE3 H -8.764 -3.372 -7.274 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE3 . . . . . . . . . rr_2kk9 1 . 1 . 821 . 1 1 50 LYS HG2 H -10.946 -1.272 -7.335 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG2 . . . . . . . . . rr_2kk9 1 . 1 . 822 . 1 1 50 LYS HG3 H -9.698 -1.273 -6.099 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG3 . . . . . . . . . rr_2kk9 1 . 1 . 823 . 1 1 50 LYS HZ1 H -10.681 -5.628 -7.490 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ1 . . . . . . . . . rr_2kk9 1 . 1 . 824 . 1 1 50 LYS HZ2 H -9.154 -5.608 -8.075 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ2 . . . . . . . . . rr_2kk9 1 . 1 . 825 . 1 1 50 LYS N N -13.581 -0.235 -6.808 . . . 1.0 . . . . . . . . . . . . A . 50 LYS N . . . . . . . . . rr_2kk9 1 . 1 . 826 . 1 1 50 LYS NZ N -9.746 -5.242 -7.321 . . . 1.0 . . . . . . . . . . . . A . 50 LYS NZ . . . . . . . . . rr_2kk9 1 . 1 . 827 . 1 1 50 LYS O O -14.908 -1.818 -4.125 . . . 1.0 . . . . . . . . . . . . A . 50 LYS O . . . . . . . . . rr_2kk9 1 . 1 . 828 . 1 1 51 GLN C C -16.432 1.060 -3.020 . . . 1.0 . . . . . . . . . . . . A . 51 GLN C . . . . . . . . . rr_2kk9 1 . 1 . 829 . 1 1 51 GLN CA C -14.997 0.566 -2.606 . . . 1.0 . . . . . . . . . . . . A . 51 GLN CA . . . . . . . . . rr_2kk9 1 . 1 . 830 . 1 1 51 GLN CB C -14.266 1.499 -1.593 . . . 1.0 . . . . . . . . . . . . A . 51 GLN CB . . . . . . . . . rr_2kk9 1 . 1 . 831 . 1 1 51 GLN CD C -13.251 3.777 -0.938 . . . 1.0 . . . . . . . . . . . . A . 51 GLN CD . . . . . . . . . rr_2kk9 1 . 1 . 832 . 1 1 51 GLN CG C -13.910 2.939 -2.047 . . . 1.0 . . . . . . . . . . . . A . 51 GLN CG . . . . . . . . . rr_2kk9 1 . 1 . 833 . 1 1 51 GLN H H -13.319 0.881 -4.057 . . . 1.0 . . . . . . . . . . . . A . 51 GLN H . . . . . . . . . rr_2kk9 1 . 1 . 834 . 1 1 51 GLN HA H -15.157 -0.377 -2.045 . . . 1.0 . . . . . . . . . . . . A . 51 GLN HA . . . . . . . . . rr_2kk9 1 . 1 . 835 . 1 1 51 GLN HB2 H -14.892 1.565 -0.682 . . . 1.0 . . . . . . . . . . . . A . 51 GLN HB2 . . . . . . . . . rr_2kk9 1 . 1 . 836 . 1 1 51 GLN HB3 H -13.342 0.994 -1.249 . . . 1.0 . . . . . . . . . . . . A . 51 GLN HB3 . . . . . . . . . rr_2kk9 1 . 1 . 837 . 1 1 51 GLN HE21 H -14.782 5.073 -0.961 . . . 1.0 . . . . . . . . . . . . A . 51 GLN HE21 . . . . . . . . . rr_2kk9 1 . 1 . 838 . 1 1 51 GLN HE22 H -13.423 5.400 0.228 . . . 1.0 . . . . . . . . . . . . A . 51 GLN HE22 . . . . . . . . . rr_2kk9 1 . 1 . 839 . 1 1 51 GLN HG2 H -13.219 2.900 -2.906 . . . 1.0 . . . . . . . . . . . . A . 51 GLN HG2 . . . . . . . . . rr_2kk9 1 . 1 . 840 . 1 1 51 GLN HG3 H -14.811 3.451 -2.434 . . . 1.0 . . . . . . . . . . . . A . 51 GLN HG3 . . . . . . . . . rr_2kk9 1 . 1 . 841 . 1 1 51 GLN N N -14.092 0.267 -3.766 . . . 1.0 . . . . . . . . . . . . A . 51 GLN N . . . . . . . . . rr_2kk9 1 . 1 . 842 . 1 1 51 GLN NE2 N -13.884 4.861 -0.514 . . . 1.0 . . . . . . . . . . . . A . 51 GLN NE2 . . . . . . . . . rr_2kk9 1 . 1 . 843 . 1 1 51 GLN O O -16.938 2.070 -2.521 . . . 1.0 . . . . . . . . . . . . A . 51 GLN O . . . . . . . . . rr_2kk9 1 . 1 . 844 . 1 1 51 GLN OE1 O -12.163 3.463 -0.455 . . . 1.0 . . . . . . . . . . . . A . 51 GLN OE1 . . . . . . . . . rr_2kk9 1 . 1 . 845 . 1 1 52 VAL C C -19.622 -0.029 -3.518 . . . 1.0 . . . . . . . . . . . . A . 52 VAL C . . . . . . . . . rr_2kk9 1 . 1 . 846 . 1 1 52 VAL CA C -18.476 0.575 -4.412 . . . 1.0 . . . . . . . . . . . . A . 52 VAL CA . . . . . . . . . rr_2kk9 1 . 1 . 847 . 1 1 52 VAL CB C -18.528 0.075 -5.920 . . . 1.0 . . . . . . . . . . . . A . 52 VAL CB . . . . . . . . . rr_2kk9 1 . 1 . 848 . 1 1 52 VAL CG1 C -17.734 0.994 -6.876 . . . 1.0 . . . . . . . . . . . . A . 52 VAL CG1 . . . . . . . . . rr_2kk9 1 . 1 . 849 . 1 1 52 VAL CG2 C -18.125 -1.403 -6.180 . . . 1.0 . . . . . . . . . . . . A . 52 VAL CG2 . . . . . . . . . rr_2kk9 1 . 1 . 850 . 1 1 52 VAL H H -16.573 -0.473 -4.307 . . . 1.0 . . . . . . . . . . . . A . 52 VAL H . . . . . . . . . rr_2kk9 1 . 1 . 851 . 1 1 52 VAL HA H -18.613 1.685 -4.398 . . . 1.0 . . . . . . . . . . . . A . 52 VAL HA . . . . . . . . . rr_2kk9 1 . 1 . 852 . 1 1 52 VAL HB H -19.575 0.111 -6.267 . . . 1.0 . . . . . . . . . . . . A . 52 VAL HB . . . . . . . . . rr_2kk9 1 . 1 . 853 . 1 1 52 VAL HG11 H -17.864 0.700 -7.934 . . . 1.0 . . . . . . . . . . . . A . 52 VAL HG11 . . . . . . . . . rr_2kk9 1 . 1 . 854 . 1 1 52 VAL HG12 H -18.069 2.045 -6.796 . . . 1.0 . . . . . . . . . . . . A . 52 VAL HG12 . . . . . . . . . rr_2kk9 1 . 1 . 855 . 1 1 52 VAL HG13 H -16.648 0.978 -6.664 . . . 1.0 . . . . . . . . . . . . A . 52 VAL HG13 . . . . . . . . . rr_2kk9 1 . 1 . 856 . 1 1 52 VAL HG21 H -18.312 -1.698 -7.231 . . . 1.0 . . . . . . . . . . . . A . 52 VAL HG21 . . . . . . . . . rr_2kk9 1 . 1 . 857 . 1 1 52 VAL HG22 H -18.708 -2.102 -5.553 . . . 1.0 . . . . . . . . . . . . A . 52 VAL HG22 . . . . . . . . . rr_2kk9 1 . 1 . 858 . 1 1 52 VAL HG23 H -17.055 -1.594 -5.978 . . . 1.0 . . . . . . . . . . . . A . 52 VAL HG23 . . . . . . . . . rr_2kk9 1 . 1 . 859 . 1 1 52 VAL N N -17.112 0.287 -3.889 . . . 1.0 . . . . . . . . . . . . A . 52 VAL N . . . . . . . . . rr_2kk9 1 . 1 . 860 . 1 1 52 VAL O O -20.516 -0.714 -4.026 . . . 1.0 . . . . . . . . . . . . A . 52 VAL O . . . . . . . . . rr_2kk9 1 . 1 . 861 . 1 1 53 GLU C C -21.978 0.632 -1.378 . . . 1.0 . . . . . . . . . . . . A . 53 GLU C . . . . . . . . . rr_2kk9 1 . 1 . 862 . 1 1 53 GLU CA C -20.682 -0.221 -1.250 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CA . . . . . . . . . rr_2kk9 1 . 1 . 863 . 1 1 53 GLU CB C -20.065 -0.183 0.223 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CB . . . . . . . . . rr_2kk9 1 . 1 . 864 . 1 1 53 GLU CD C -19.960 -2.710 0.739 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CD . . . . . . . . . rr_2kk9 1 . 1 . 865 . 1 1 53 GLU CG C -19.181 -1.399 0.574 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CG . . . . . . . . . rr_2kk9 1 . 1 . 866 . 1 1 53 GLU H H -18.786 0.724 -1.841 . . . 1.0 . . . . . . . . . . . . A . 53 GLU H . . . . . . . . . rr_2kk9 1 . 1 . 867 . 1 1 53 GLU HA H -20.985 -1.256 -1.619 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HA . . . . . . . . . rr_2kk9 1 . 1 . 868 . 1 1 53 GLU HB2 H -19.458 0.744 0.419 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HB2 . . . . . . . . . rr_2kk9 1 . 1 . 869 . 1 1 53 GLU HB3 H -20.815 -0.047 1.040 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HB3 . . . . . . . . . rr_2kk9 1 . 1 . 870 . 1 1 53 GLU HE2 H -19.405 -3.076 -1.091 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HE2 . . . . . . . . . rr_2kk9 1 . 1 . 871 . 1 1 53 GLU HG2 H -18.380 -1.520 -0.180 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HG2 . . . . . . . . . rr_2kk9 1 . 1 . 872 . 1 1 53 GLU HG3 H -18.650 -1.194 1.521 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HG3 . . . . . . . . . rr_2kk9 1 . 1 . 873 . 1 1 53 GLU N N -19.632 0.263 -2.195 . . . 1.0 . . . . . . . . . . . . A . 53 GLU N . . . . . . . . . rr_2kk9 1 . 1 . 874 . 1 1 53 GLU O O -22.994 0.118 -1.856 . . . 1.0 . . . . . . . . . . . . A . 53 GLU O . . . . . . . . . rr_2kk9 1 . 1 . 875 . 1 1 53 GLU OE1 O -20.553 -3.019 1.772 . . . 1.0 . . . . . . . . . . . . A . 53 GLU OE1 . . . . . . . . . rr_2kk9 1 . 1 . 876 . 1 1 53 GLU OE2 O -19.916 -3.488 -0.390 . . . 1.0 . . . . . . . . . . . . A . 53 GLU OE2 . . . . . . . . . rr_2kk9 1 . 1 . 877 . 1 1 54 LYS C C -23.440 3.321 -2.547 . . . 1.0 . . . . . . . . . . . . A . 54 LYS C . . . . . . . . . rr_2kk9 1 . 1 . 878 . 1 1 54 LYS CA C -23.096 2.856 -1.092 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CA . . . . . . . . . rr_2kk9 1 . 1 . 879 . 1 1 54 LYS CB C -22.900 4.081 -0.102 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CB . . . . . . . . . rr_2kk9 1 . 1 . 880 . 1 1 54 LYS CD C -22.166 6.570 -0.538 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CD . . . . . . . . . rr_2kk9 1 . 1 . 881 . 1 1 54 LYS CE C -23.013 6.886 -1.787 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CE . . . . . . . . . rr_2kk9 1 . 1 . 882 . 1 1 54 LYS CG C -21.748 5.090 -0.405 . . . 1.0 . . . . . . . . . . . . A . 54 LYS CG . . . . . . . . . rr_2kk9 1 . 1 . 883 . 1 1 54 LYS H H -21.029 2.164 -0.572 . . . 1.0 . . . . . . . . . . . . A . 54 LYS H . . . . . . . . . rr_2kk9 1 . 1 . 884 . 1 1 54 LYS HA H -23.988 2.236 -0.821 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HA . . . . . . . . . rr_2kk9 1 . 1 . 885 . 1 1 54 LYS HB2 H -23.836 4.667 0.006 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HB2 . . . . . . . . . rr_2kk9 1 . 1 . 886 . 1 1 54 LYS HB3 H -22.734 3.749 0.945 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HB3 . . . . . . . . . rr_2kk9 1 . 1 . 887 . 1 1 54 LYS HD2 H -22.705 6.882 0.377 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HD2 . . . . . . . . . rr_2kk9 1 . 1 . 888 . 1 1 54 LYS HD3 H -21.246 7.185 -0.559 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HD3 . . . . . . . . . rr_2kk9 1 . 1 . 889 . 1 1 54 LYS HE2 H -22.475 6.583 -2.704 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HE2 . . . . . . . . . rr_2kk9 1 . 1 . 890 . 1 1 54 LYS HE3 H -23.954 6.305 -1.776 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HE3 . . . . . . . . . rr_2kk9 1 . 1 . 891 . 1 1 54 LYS HG2 H -21.008 5.031 0.415 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HG2 . . . . . . . . . rr_2kk9 1 . 1 . 892 . 1 1 54 LYS HG3 H -21.173 4.798 -1.302 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HG3 . . . . . . . . . rr_2kk9 1 . 1 . 893 . 1 1 54 LYS HZ1 H -23.879 8.508 -2.725 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ1 . . . . . . . . . rr_2kk9 1 . 1 . 894 . 1 1 54 LYS HZ2 H -22.478 8.872 -1.964 . . . 1.0 . . . . . . . . . . . . A . 54 LYS HZ2 . . . . . . . . . rr_2kk9 1 . 1 . 895 . 1 1 54 LYS N N -21.936 1.919 -0.979 . . . 1.0 . . . . . . . . . . . . A . 54 LYS N . . . . . . . . . rr_2kk9 1 . 1 . 896 . 1 1 54 LYS NZ N -23.339 8.320 -1.873 . . . 1.0 . . . . . . . . . . . . A . 54 LYS NZ . . . . . . . . . rr_2kk9 1 . 1 . 897 . 1 1 54 LYS O O -24.626 3.436 -2.870 . . . 1.0 . . . . . . . . . . . . A . 54 LYS O . . . . . . . . . rr_2kk9 1 . 1 . 898 . 1 1 55 ALA C C -22.927 2.814 -5.746 . . . 1.0 . . . . . . . . . . . . A . 55 ALA C . . . . . . . . . rr_2kk9 1 . 1 . 899 . 1 1 55 ALA CA C -22.633 4.012 -4.805 . . . 1.0 . . . . . . . . . . . . A . 55 ALA CA . . . . . . . . . rr_2kk9 1 . 1 . 900 . 1 1 55 ALA CB C -21.384 4.786 -5.269 . . . 1.0 . . . . . . . . . . . . A . 55 ALA CB . . . . . . . . . rr_2kk9 1 . 1 . 901 . 1 1 55 ALA H H -21.505 3.546 -2.991 . . . 1.0 . . . . . . . . . . . . A . 55 ALA H . . . . . . . . . rr_2kk9 1 . 1 . 902 . 1 1 55 ALA HA H -23.464 4.735 -4.803 . . . 1.0 . . . . . . . . . . . . A . 55 ALA HA . . . . . . . . . rr_2kk9 1 . 1 . 903 . 1 1 55 ALA HB1 H -20.476 4.154 -5.281 . . . 1.0 . . . . . . . . . . . . A . 55 ALA HB1 . . . . . . . . . rr_2kk9 1 . 1 . 904 . 1 1 55 ALA HB2 H -21.171 5.654 -4.617 . . . 1.0 . . . . . . . . . . . . A . 55 ALA HB2 . . . . . . . . . rr_2kk9 1 . 1 . 905 . 1 1 55 ALA HB3 H -21.516 5.186 -6.291 . . . 1.0 . . . . . . . . . . . . A . 55 ALA HB3 . . . . . . . . . rr_2kk9 1 . 1 . 906 . 1 1 55 ALA N N -22.433 3.571 -3.410 . . . 1.0 . . . . . . . . . . . . A . 55 ALA N . . . . . . . . . rr_2kk9 1 . 1 . 907 . 1 1 55 ALA O O -22.152 1.861 -5.856 . . . 1.0 . . . . . . . . . . . . A . 55 ALA O . . . . . . . . . rr_2kk9 1 . 1 . 908 . 1 1 56 NH2 HN1 H -24.226 2.037 -7.066 . . . 1.0 . . . . . . . . . . . . A . 56 NH2 HN1 . . . . . . . . . rr_2kk9 1 . 1 . 909 . 1 1 56 NH2 HN2 H -24.658 3.655 -6.316 . . . 1.0 . . . . . . . . . . . . A . 56 NH2 HN2 . . . . . . . . . rr_2kk9 1 . 1 . 910 . 1 1 56 NH2 N N -24.053 2.837 -6.446 . . . 1.0 . . . . . . . . . . . . A . 56 NH2 N . . . . . . . . . rr_2kk9 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_2kk9 _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 2kk9.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_2kk9 1 1 2kk9.mr . . DISCOVER 2 stereochemistry prochirality 'Not applicable' 0 rr_2kk9 1 1 2kk9.mr . . DISCOVER 3 stereochemistry chirality 'Not applicable' 0 rr_2kk9 1 1 2kk9.mr . . DISCOVER 4 distance 'hydrogen bond' simple 1 rr_2kk9 1 1 2kk9.mr . . DISCOVER 5 distance NOE simple 448 rr_2kk9 1 1 2kk9.mr . . n/a 6 comment 'Not applicable' 'Not applicable' 0 rr_2kk9 1 1 2kk9.mr . . DISCOVER 7 'dihedral angle' 'Not applicable' 'Not applicable' 54 rr_2kk9 1 1 2kk9.mr . . 'MR format' 8 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_2kk9 1 stop_ save_ save_Discover_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID rr_2kk9 _Gen_dist_constraint_list.ID 2 _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 5 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_2kk9 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 2 2 GLY H H . . . 1 1 2 2 GLY HA2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 GLY H . . A . 2 GLY HA2 . 1 . 2 GLY HN . . . 1 . 2 GLY HAR . . rr_2kk9 1 2 1 . . 1 1 2 2 GLY H H . . . 1 1 2 2 GLY HA3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 GLY H . . A . 2 GLY HA3 . 1 . 2 GLY HN . . . 1 . 2 GLY HAS . . rr_2kk9 1 3 1 . . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 3 LEU H . . A . 3 LEU HA . 1 . 3 LEU HN . . . 1 . 3 LEU HA . . rr_2kk9 1 4 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HA H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ARG H . . A . 4 ARG HA . 1 . 4 ARG HN . . . 1 . 4 ARG HA . . rr_2kk9 1 5 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HA H . . . . . 3.5 2.8 3.5 . . . . . A . 5 ARG H . . A . 5 ARG HA . 1 . 5 ARG HN . . . 1 . 5 ARG HA . . rr_2kk9 1 6 1 . . 1 1 6 6 ASP H H . . . 1 1 6 6 ASP HA H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ASP H . . A . 6 ASP HA . 1 . 6 ASP HN . . . 1 . 6 ASP HA . . rr_2kk9 1 7 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 7 LEU H . . A . 7 LEU HA . 1 . 7 LEU HN . . . 1 . 7 LEU HA . . rr_2kk9 1 8 1 . . 1 1 8 8 ASP H H . . . 1 1 8 8 ASP HA H . . . . . 3.5 2.8 3.5 . . . . . A . 8 ASP H . . A . 8 ASP HA . 1 . 8 ASP HN . . . 1 . 8 ASP HA . . rr_2kk9 1 9 1 . . 1 1 9 9 ALA H H . . . 1 1 9 9 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 ALA H . . A . 9 ALA HA . 1 . 9 ALA HN . . . 1 . 9 ALA HA . . rr_2kk9 1 10 1 . . 1 1 10 10 SER H H . . . 1 1 10 10 SER HA H . . . . . 3.5 2.8 3.5 . . . . . A . 10 SER H . . A . 10 SER HA . 1 . 10 SER HN . . . 1 . 10 SER HA . . rr_2kk9 1 11 1 . . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HA H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ARG H . . A . 11 ARG HA . 1 . 11 ARG HN . . . 1 . 11 ARG HA . . rr_2kk9 1 12 1 . . 1 1 12 12 GLU H H . . . 1 1 12 12 GLU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 12 GLU H . . A . 12 GLU HA . 1 . 12 GLU HN . . . 1 . 12 GLU HA . . rr_2kk9 1 13 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA HA H . . . . . 3.5 2.8 3.5 . . . . . A . 13 ALA H . . A . 13 ALA HA . 1 . 13 ALA HN . . . 1 . 13 ALA HA . . rr_2kk9 1 14 1 . . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 14 LYS H . . A . 14 LYS HA . 1 . 14 LYS HN . . . 1 . 14 LYS HA . . rr_2kk9 1 15 1 . . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LYS H . . A . 15 LYS HA . 1 . 15 LYS HN . . . 1 . 15 LYS HA . . rr_2kk9 1 16 1 . . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 16 GLN H . . A . 16 GLN HA . 1 . 16 GLN HN . . . 1 . 16 GLN HA . . rr_2kk9 1 17 1 . . 1 1 17 17 LEU H H . . . 1 1 17 17 LEU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 17 LEU H . . A . 17 LEU HA . 1 . 17 LEU HN . . . 1 . 17 LEU HA . . rr_2kk9 1 18 1 . . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 18 GLU H . . A . 18 GLU HA . 1 . 18 GLU HN . . . 1 . 18 GLU HA . . rr_2kk9 1 19 1 . . 1 1 19 19 ALA H H . . . 1 1 19 19 ALA HA H . . . . . 3.5 2.8 3.5 . . . . . A . 19 ALA H . . A . 19 ALA HA . 1 . 19 ALA HN . . . 1 . 19 ALA HA . . rr_2kk9 1 20 1 . . 1 1 20 20 GLU H H . . . 1 1 20 20 GLU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 20 GLU H . . A . 20 GLU HA . 1 . 20 GLU HN . . . 1 . 20 GLU HA . . rr_2kk9 1 21 1 . . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 21 GLN H . . A . 21 GLN HA . 1 . 21 GLN HN . . . 1 . 21 GLN HA . . rr_2kk9 1 22 1 . . 1 1 21 21 GLN HA H . . . 1 1 22 22 GLN H H . . . . . 3.5 2.8 3.5 . . . . . A . 21 GLN HA . . A . 22 GLN H . 1 . 21 GLN HA . . . 1 . 22 GLN HN . . rr_2kk9 1 23 1 . . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 23 LYS H . . A . 23 LYS HA . 1 . 23 LYS HN . . . 1 . 23 LYS HA . . rr_2kk9 1 24 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 24 LEU H . . A . 24 LEU HA . 1 . 24 LEU HN . . . 1 . 24 LEU HA . . rr_2kk9 1 25 1 . . 1 1 25 25 GLU H H . . . 1 1 25 25 GLU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 25 GLU H . . A . 25 GLU HA . 1 . 25 GLU HN . . . 1 . 25 GLU HA . . rr_2kk9 1 26 1 . . 1 1 26 26 GLU H H . . . 1 1 26 26 GLU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 26 GLU H . . A . 26 GLU HA . 1 . 26 GLU HN . . . 1 . 26 GLU HA . . rr_2kk9 1 27 1 . . 1 1 27 27 GLN H H . . . 1 1 27 27 GLN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 27 GLN H . . A . 27 GLN HA . 1 . 27 GLN HN . . . 1 . 27 GLN HA . . rr_2kk9 1 28 1 . . 1 1 28 28 ASN H H . . . 1 1 28 28 ASN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 28 ASN H . . A . 28 ASN HA . 1 . 28 ASN HN . . . 1 . 28 ASN HA . . rr_2kk9 1 29 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 29 LYS H . . A . 29 LYS HA . 1 . 29 LYS HN . . . 1 . 29 LYS HA . . rr_2kk9 1 30 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 30 ILE H . . A . 30 ILE HA . 1 . 30 ILE HN . . . 1 . 30 ILE HA . . rr_2kk9 1 31 1 . . 1 1 31 31 SER H H . . . 1 1 31 31 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 31 SER H . . A . 31 SER HA . 1 . 31 SER HN . . . 1 . 31 SER HA . . rr_2kk9 1 32 1 . . 1 1 32 32 GLU H H . . . 1 1 32 32 GLU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 32 GLU H . . A . 32 GLU HA . 1 . 32 GLU HN . . . 1 . 32 GLU HA . . rr_2kk9 1 33 1 . . 1 1 33 33 ALA H H . . . 1 1 33 33 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 33 ALA H . . A . 33 ALA HA . 1 . 33 ALA HN . . . 1 . 33 ALA HA . . rr_2kk9 1 34 1 . . 1 1 34 34 SER H H . . . 1 1 34 34 SER HA H . . . . . 3.5 2.8 3.5 . . . . . A . 34 SER H . . A . 34 SER HA . 1 . 34 SER HN . . . 1 . 34 SER HA . . rr_2kk9 1 35 1 . . 1 1 35 35 ARG H H . . . 1 1 35 35 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 35 ARG H . . A . 35 ARG HA . 1 . 35 ARG HN . . . 1 . 35 ARG HA . . rr_2kk9 1 36 1 . . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 36 LYS H . . A . 36 LYS HA . 1 . 36 LYS HN . . . 1 . 36 LYS HA . . rr_2kk9 1 37 1 . . 1 1 37 37 GLY H H . . . 1 1 37 37 GLY HA2 H . . . . . 3.5 2.8 3.5 . . . . . A . 37 GLY H . . A . 37 GLY HA2 . 1 . 37 GLY HN . . . 1 . 37 GLY HAR . . rr_2kk9 1 38 1 . . 1 1 38 38 LEU H H . . . 1 1 38 38 LEU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 38 LEU H . . A . 38 LEU HA . 1 . 38 LEU HN . . . 1 . 38 LEU HA . . rr_2kk9 1 39 1 . . 1 1 39 39 ARG H H . . . 1 1 39 39 ARG HA H . . . . . 3.5 2.8 3.5 . . . . . A . 39 ARG H . . A . 39 ARG HA . 1 . 39 ARG HN . . . 1 . 39 ARG HA . . rr_2kk9 1 40 1 . . 1 1 40 40 ARG H H . . . 1 1 40 40 ARG HA H . . . . . 3.5 2.8 3.5 . . . . . A . 40 ARG H . . A . 40 ARG HA . 1 . 40 ARG HN . . . 1 . 40 ARG HA . . rr_2kk9 1 41 1 . . 1 1 41 41 ASP H H . . . 1 1 41 41 ASP HA H . . . . . 3.5 2.8 3.5 . . . . . A . 41 ASP H . . A . 41 ASP HA . 1 . 41 ASP HN . . . 1 . 41 ASP HA . . rr_2kk9 1 42 1 . . 1 1 42 42 LEU H H . . . 1 1 42 42 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 42 LEU H . . A . 42 LEU HA . 1 . 42 LEU HN . . . 1 . 42 LEU HA . . rr_2kk9 1 43 1 . . 1 1 43 43 ASP H H . . . 1 1 43 43 ASP HA H . . . . . 3.5 2.8 3.5 . . . . . A . 43 ASP H . . A . 43 ASP HA . 1 . 43 ASP HN . . . 1 . 43 ASP HA . . rr_2kk9 1 44 1 . . 1 1 44 44 ALA H H . . . 1 1 44 44 ALA HA H . . . . . 3.5 2.8 3.5 . . . . . A . 44 ALA H . . A . 44 ALA HA . 1 . 44 ALA HN . . . 1 . 44 ALA HA . . rr_2kk9 1 45 1 . . 1 1 45 45 SER H H . . . 1 1 45 45 SER HA H . . . . . 3.5 2.8 3.5 . . . . . A . 45 SER H . . A . 45 SER HA . 1 . 45 SER HN . . . 1 . 45 SER HA . . rr_2kk9 1 46 1 . . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HA H . . . . . 3.5 2.8 3.5 . . . . . A . 46 ARG H . . A . 46 ARG HA . 1 . 46 ARG HN . . . 1 . 46 ARG HA . . rr_2kk9 1 47 1 . . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 47 GLU H . . A . 47 GLU HA . 1 . 47 GLU HN . . . 1 . 47 GLU HA . . rr_2kk9 1 48 1 . . 1 1 48 48 ALA H H . . . 1 1 48 48 ALA HA H . . . . . 3.5 2.8 3.5 . . . . . A . 48 ALA H . . A . 48 ALA HA . 1 . 48 ALA HN . . . 1 . 48 ALA HA . . rr_2kk9 1 49 1 . . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 49 LYS H . . A . 49 LYS HA . 1 . 49 LYS HN . . . 1 . 49 LYS HA . . rr_2kk9 1 50 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 50 LYS H . . A . 50 LYS HA . 1 . 50 LYS HN . . . 1 . 50 LYS HA . . rr_2kk9 1 51 1 . . 1 1 51 51 GLN H H . . . 1 1 51 51 GLN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 51 GLN H . . A . 51 GLN HA . 1 . 51 GLN HN . . . 1 . 51 GLN HA . . rr_2kk9 1 52 1 . . 1 1 52 52 VAL H H . . . 1 1 52 52 VAL HA H . . . . . 3.5 2.8 3.5 . . . . . A . 52 VAL H . . A . 52 VAL HA . 1 . 52 VAL HN . . . 1 . 52 VAL HA . . rr_2kk9 1 53 1 . . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HA H . . . . . 3.5 2.8 3.5 . . . . . A . 53 GLU H . . A . 53 GLU HA . 1 . 53 GLU HN . . . 1 . 53 GLU HA . . rr_2kk9 1 54 1 . . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 54 LYS H . . A . 54 LYS HA . 1 . 54 LYS HN . . . 1 . 54 LYS HA . . rr_2kk9 1 55 1 . . 1 1 55 55 ALA H H . . . 1 1 55 55 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 55 ALA H . . A . 55 ALA HA . 1 . 55 ALA HN . . . 1 . 55 ALA HA . . rr_2kk9 1 56 1 . . 1 1 2 2 GLY H H . . . 1 1 1 1 LYS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 2 GLY H . . A . 1 LYS HA . 1 . 2 GLY HN . . . 1 . 1 LYSn HA . . rr_2kk9 1 57 1 . . 1 1 2 2 GLY HA2 H . . . 1 1 3 3 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 2 GLY HA2 . . A . 3 LEU H . 1 . 2 GLY HAR . . . 1 . 3 LEU HN . . rr_2kk9 1 58 1 . . 1 1 3 3 LEU HA H . . . 1 1 4 4 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LEU HA . . A . 4 ARG H . 1 . 3 LEU HA . . . 1 . 4 ARG HN . . rr_2kk9 1 59 1 . . 1 1 4 4 ARG HA H . . . 1 1 5 5 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ARG HA . . A . 5 ARG H . 1 . 4 ARG HA . . . 1 . 5 ARG HN . . rr_2kk9 1 60 1 . . 1 1 5 5 ARG HA H . . . 1 1 6 6 ASP H H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HA . . A . 6 ASP H . 1 . 5 ARG HA . . . 1 . 6 ASP HN . . rr_2kk9 1 61 1 . . 1 1 6 6 ASP HA H . . . 1 1 7 7 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ASP HA . . A . 7 LEU H . 1 . 6 ASP HA . . . 1 . 7 LEU HN . . rr_2kk9 1 62 1 . . 1 1 7 7 LEU HA H . . . 1 1 8 8 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 7 LEU HA . . A . 8 ASP H . 1 . 7 LEU HA . . . 1 . 8 ASP HN . . rr_2kk9 1 63 1 . . 1 1 8 8 ASP HA H . . . 1 1 9 9 ALA H H . . . . . 5.0 3.5 5.0 . . . . . A . 8 ASP HA . . A . 9 ALA H . 1 . 8 ASP HA . . . 1 . 9 ALA HN . . rr_2kk9 1 64 1 . . 1 1 9 9 ALA HA H . . . 1 1 10 10 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 9 ALA HA . . A . 10 SER H . 1 . 9 ALA HA . . . 1 . 10 SER HN . . rr_2kk9 1 65 1 . . 1 1 10 10 SER HA H . . . 1 1 11 11 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 10 SER HA . . A . 11 ARG H . 1 . 10 SER HA . . . 1 . 11 ARG HN . . rr_2kk9 1 66 1 . . 1 1 11 11 ARG HA H . . . 1 1 12 12 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ARG HA . . A . 12 GLU H . 1 . 11 ARG HA . . . 1 . 12 GLU HN . . rr_2kk9 1 67 1 . . 1 1 12 12 GLU HA H . . . 1 1 13 13 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 12 GLU HA . . A . 13 ALA H . 1 . 12 GLU HA . . . 1 . 13 ALA HN . . rr_2kk9 1 68 1 . . 1 1 13 13 ALA HA H . . . 1 1 14 14 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 ALA HA . . A . 14 LYS H . 1 . 13 ALA HA . . . 1 . 14 LYS HN . . rr_2kk9 1 69 1 . . 1 1 14 14 LYS HA H . . . 1 1 15 15 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 LYS HA . . A . 15 LYS H . 1 . 14 LYS HA . . . 1 . 15 LYS HN . . rr_2kk9 1 70 1 . . 1 1 15 15 LYS HA H . . . 1 1 16 16 GLN H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LYS HA . . A . 16 GLN H . 1 . 15 LYS HA . . . 1 . 16 GLN HN . . rr_2kk9 1 71 1 . . 1 1 16 16 GLN HA H . . . 1 1 17 17 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 16 GLN HA . . A . 17 LEU H . 1 . 16 GLN HA . . . 1 . 17 LEU HN . . rr_2kk9 1 72 1 . . 1 1 17 17 LEU HA H . . . 1 1 18 18 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 LEU HA . . A . 18 GLU H . 1 . 17 LEU HA . . . 1 . 18 GLU HN . . rr_2kk9 1 73 1 . . 1 1 18 18 GLU HA H . . . 1 1 19 19 ALA H H . . . . . 5.0 3.5 5.0 . . . . . A . 18 GLU HA . . A . 19 ALA H . 1 . 18 GLU HA . . . 1 . 19 ALA HN . . rr_2kk9 1 74 1 . . 1 1 19 19 ALA HA H . . . 1 1 20 20 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 19 ALA HA . . A . 20 GLU H . 1 . 19 ALA HA . . . 1 . 20 GLU HN . . rr_2kk9 1 75 1 . . 1 1 20 20 GLU HA H . . . 1 1 21 21 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 20 GLU HA . . A . 21 GLN H . 1 . 20 GLU HA . . . 1 . 21 GLN HN . . rr_2kk9 1 76 1 . . 1 1 23 23 LYS H H . . . 1 1 22 22 GLN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 23 LYS H . . A . 22 GLN HA . 1 . 23 LYS HN . . . 1 . 22 GLN HA . . rr_2kk9 1 77 1 . . 1 1 23 23 LYS HA H . . . 1 1 24 24 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 23 LYS HA . . A . 24 LEU H . 1 . 23 LYS HA . . . 1 . 24 LEU HN . . rr_2kk9 1 78 1 . . 1 1 24 24 LEU HA H . . . 1 1 25 25 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 24 LEU HA . . A . 25 GLU H . 1 . 24 LEU HA . . . 1 . 25 GLU HN . . rr_2kk9 1 79 1 . . 1 1 25 25 GLU HA H . . . 1 1 26 26 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 25 GLU HA . . A . 26 GLU H . 1 . 25 GLU HA . . . 1 . 26 GLU HN . . rr_2kk9 1 80 1 . . 1 1 27 27 GLN HA H . . . 1 1 28 28 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 27 GLN HA . . A . 28 ASN H . 1 . 27 GLN HA . . . 1 . 28 ASN HN . . rr_2kk9 1 81 1 . . 1 1 28 28 ASN HA H . . . 1 1 29 29 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 28 ASN HA . . A . 29 LYS H . 1 . 28 ASN HA . . . 1 . 29 LYS HN . . rr_2kk9 1 82 1 . . 1 1 29 29 LYS HA H . . . 1 1 30 30 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 29 LYS HA . . A . 30 ILE H . 1 . 29 LYS HA . . . 1 . 30 ILE HN . . rr_2kk9 1 83 1 . . 1 1 30 30 ILE HA H . . . 1 1 31 31 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 30 ILE HA . . A . 31 SER H . 1 . 30 ILE HA . . . 1 . 31 SER HN . . rr_2kk9 1 84 1 . . 1 1 31 31 SER HA H . . . 1 1 32 32 GLU H H . . . . . 2.8 1.8 2.8 . . . . . A . 31 SER HA . . A . 32 GLU H . 1 . 31 SER HA . . . 1 . 32 GLU HN . . rr_2kk9 1 85 1 . . 1 1 32 32 GLU HA H . . . 1 1 33 33 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 32 GLU HA . . A . 33 ALA H . 1 . 32 GLU HA . . . 1 . 33 ALA HN . . rr_2kk9 1 86 1 . . 1 1 33 33 ALA HA H . . . 1 1 34 34 SER H H . . . . . 2.8 1.8 2.8 . . . . . A . 33 ALA HA . . A . 34 SER H . 1 . 33 ALA HA . . . 1 . 34 SER HN . . rr_2kk9 1 87 1 . . 1 1 34 34 SER HA H . . . 1 1 35 35 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 34 SER HA . . A . 35 ARG H . 1 . 34 SER HA . . . 1 . 35 ARG HN . . rr_2kk9 1 88 1 . . 1 1 35 35 ARG HA H . . . 1 1 36 36 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 35 ARG HA . . A . 36 LYS H . 1 . 35 ARG HA . . . 1 . 36 LYS HN . . rr_2kk9 1 89 1 . . 1 1 36 36 LYS HA H . . . 1 1 37 37 GLY H H . . . . . 3.5 2.8 3.5 . . . . . A . 36 LYS HA . . A . 37 GLY H . 1 . 36 LYS HA . . . 1 . 37 GLY HN . . rr_2kk9 1 90 1 . . 1 1 38 38 LEU HA H . . . 1 1 39 39 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 38 LEU HA . . A . 39 ARG H . 1 . 38 LEU HA . . . 1 . 39 ARG HN . . rr_2kk9 1 91 1 . . 1 1 39 39 ARG HA H . . . 1 1 40 40 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 39 ARG HA . . A . 40 ARG H . 1 . 39 ARG HA . . . 1 . 40 ARG HN . . rr_2kk9 1 92 1 . . 1 1 40 40 ARG HA H . . . 1 1 41 41 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 40 ARG HA . . A . 41 ASP H . 1 . 40 ARG HA . . . 1 . 41 ASP HN . . rr_2kk9 1 93 1 . . 1 1 41 41 ASP HA H . . . 1 1 42 42 LEU H H . . . . . 5.0 3.5 5.0 . . . . . A . 41 ASP HA . . A . 42 LEU H . 1 . 41 ASP HA . . . 1 . 42 LEU HN . . rr_2kk9 1 94 1 . . 1 1 42 42 LEU HA H . . . 1 1 43 43 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 42 LEU HA . . A . 43 ASP H . 1 . 42 LEU HA . . . 1 . 43 ASP HN . . rr_2kk9 1 95 1 . . 1 1 43 43 ASP HA H . . . 1 1 44 44 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 43 ASP HA . . A . 44 ALA H . 1 . 43 ASP HA . . . 1 . 44 ALA HN . . rr_2kk9 1 96 1 . . 1 1 44 44 ALA HA H . . . 1 1 45 45 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 44 ALA HA . . A . 45 SER H . 1 . 44 ALA HA . . . 1 . 45 SER HN . . rr_2kk9 1 97 1 . . 1 1 45 45 SER HA H . . . 1 1 46 46 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 45 SER HA . . A . 46 ARG H . 1 . 45 SER HA . . . 1 . 46 ARG HN . . rr_2kk9 1 98 1 . . 1 1 46 46 ARG HA H . . . 1 1 47 47 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 46 ARG HA . . A . 47 GLU H . 1 . 46 ARG HA . . . 1 . 47 GLU HN . . rr_2kk9 1 99 1 . . 1 1 47 47 GLU HA H . . . 1 1 48 48 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 47 GLU HA . . A . 48 ALA H . 1 . 47 GLU HA . . . 1 . 48 ALA HN . . rr_2kk9 1 100 1 . . 1 1 48 48 ALA HA H . . . 1 1 49 49 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 48 ALA HA . . A . 49 LYS H . 1 . 48 ALA HA . . . 1 . 49 LYS HN . . rr_2kk9 1 101 1 . . 1 1 49 49 LYS HA H . . . 1 1 50 50 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 49 LYS HA . . A . 50 LYS H . 1 . 49 LYS HA . . . 1 . 50 LYS HN . . rr_2kk9 1 102 1 . . 1 1 50 50 LYS HA H . . . 1 1 51 51 GLN H H . . . . . 3.5 2.8 3.5 . . . . . A . 50 LYS HA . . A . 51 GLN H . 1 . 50 LYS HA . . . 1 . 51 GLN HN . . rr_2kk9 1 103 1 . . 1 1 51 51 GLN HA H . . . 1 1 52 52 VAL H H . . . . . 2.8 1.8 2.8 . . . . . A . 51 GLN HA . . A . 52 VAL H . 1 . 51 GLN HA . . . 1 . 52 VAL HN . . rr_2kk9 1 104 1 . . 1 1 52 52 VAL HA H . . . 1 1 53 53 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 52 VAL HA . . A . 53 GLU H . 1 . 52 VAL HA . . . 1 . 53 GLU HN . . rr_2kk9 1 105 1 . . 1 1 53 53 GLU HA H . . . 1 1 54 54 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 53 GLU HA . . A . 54 LYS H . 1 . 53 GLU HA . . . 1 . 54 LYS HN . . rr_2kk9 1 106 1 . . 1 1 54 54 LYS HA H . . . 1 1 55 55 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 54 LYS HA . . A . 55 ALA H . 1 . 54 LYS HA . . . 1 . 55 ALA HN . . rr_2kk9 1 107 1 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 1 LYS HA . . A . 1 LYS HB2 . 1 . 1 LYSn HA . . . 1 . 1 LYSn HB* . . rr_2kk9 1 107 2 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 1 LYS HA . . A . 1 LYS HB3 . 1 . 1 LYSn HA . . . 1 . 1 LYSn HB* . . rr_2kk9 1 108 1 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 1 LYS HA . . A . 1 LYS HG2 . 1 . 1 LYSn HA . . . 1 . 1 LYSn HG* . . rr_2kk9 1 108 2 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 1 LYS HA . . A . 1 LYS HG3 . 1 . 1 LYSn HA . . . 1 . 1 LYSn HG* . . rr_2kk9 1 109 1 . . 1 1 2 2 GLY HA2 H . . . 1 1 2 2 GLY HA3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 GLY HA2 . . A . 2 GLY HA3 . 1 . 2 GLY HAR . . . 1 . 2 GLY HAS . . rr_2kk9 1 110 1 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LEU H . . A . 3 LEU HB2 . 1 . 3 LEU HN . . . 1 . 3 LEU HB* . . rr_2kk9 1 110 2 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LEU H . . A . 3 LEU HB3 . 1 . 3 LEU HN . . . 1 . 3 LEU HB* . . rr_2kk9 1 111 1 . . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 3 LEU H . . A . 3 LEU MD1 . 1 . 3 LEU HN . . . 1 . 3 LEU HDR* . . rr_2kk9 1 112 1 . . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 3 LEU H . . A . 3 LEU MD2 . 1 . 3 LEU HN . . . 1 . 3 LEU HDS* . . rr_2kk9 1 113 1 OR . 1 1 3 3 LEU HA H . . . 1 1 3 3 LEU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 3 LEU HA . . A . 3 LEU HB2 . 1 . 3 LEU HA . . . 1 . 3 LEU HB* . . rr_2kk9 1 113 2 OR . 1 1 3 3 LEU HA H . . . 1 1 3 3 LEU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 3 LEU HA . . A . 3 LEU HB3 . 1 . 3 LEU HA . . . 1 . 3 LEU HB* . . rr_2kk9 1 114 1 . . 1 1 3 3 LEU HA H . . . 1 1 3 3 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 3 LEU HA . . A . 3 LEU MD1 . 1 . 3 LEU HA . . . 1 . 3 LEU HDR* . . rr_2kk9 1 115 1 . . 1 1 3 3 LEU HA H . . . 1 1 3 3 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 3 LEU HA . . A . 3 LEU MD2 . 1 . 3 LEU HA . . . 1 . 3 LEU HDS* . . rr_2kk9 1 116 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ARG H . . A . 4 ARG HB2 . 1 . 4 ARG HN . . . 1 . 4 ARG HBR . . rr_2kk9 1 117 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 4 ARG H . . A . 4 ARG HB3 . 1 . 4 ARG HN . . . 1 . 4 ARG HBS . . rr_2kk9 1 118 1 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 4 ARG H . . A . 4 ARG HG2 . 1 . 4 ARG HN . . . 1 . 4 ARG HG* . . rr_2kk9 1 118 2 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 4 ARG H . . A . 4 ARG HG3 . 1 . 4 ARG HN . . . 1 . 4 ARG HG* . . rr_2kk9 1 119 1 . . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ARG HA . . A . 4 ARG HB2 . 1 . 4 ARG HA . . . 1 . 4 ARG HBR . . rr_2kk9 1 120 1 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 ARG HA . . A . 4 ARG HD2 . 1 . 4 ARG HA . . . 1 . 4 ARG HD* . . rr_2kk9 1 120 2 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 ARG HA . . A . 4 ARG HD3 . 1 . 4 ARG HA . . . 1 . 4 ARG HD* . . rr_2kk9 1 121 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 5 ARG H . . A . 5 ARG HB2 . 1 . 5 ARG HN . . . 1 . 5 ARG HBR . . rr_2kk9 1 122 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG H . . A . 5 ARG HB3 . 1 . 5 ARG HN . . . 1 . 5 ARG HBS . . rr_2kk9 1 123 1 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 5 ARG H . . A . 5 ARG HG2 . 1 . 5 ARG HN . . . 1 . 5 ARG HG* . . rr_2kk9 1 123 2 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 5 ARG H . . A . 5 ARG HG3 . 1 . 5 ARG HN . . . 1 . 5 ARG HG* . . rr_2kk9 1 124 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 5 ARG HA . . A . 5 ARG HB2 . 1 . 5 ARG HA . . . 1 . 5 ARG HBR . . rr_2kk9 1 125 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 5 ARG HA . . A . 5 ARG HB3 . 1 . 5 ARG HA . . . 1 . 5 ARG HBS . . rr_2kk9 1 126 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 5 ARG HA . . A . 5 ARG HG2 . 1 . 5 ARG HA . . . 1 . 5 ARG HG* . . rr_2kk9 1 126 2 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 5 ARG HA . . A . 5 ARG HG3 . 1 . 5 ARG HA . . . 1 . 5 ARG HG* . . rr_2kk9 1 127 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 5 ARG HA . . A . 5 ARG HD2 . 1 . 5 ARG HA . . . 1 . 5 ARG HD* . . rr_2kk9 1 127 2 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 5 ARG HA . . A . 5 ARG HD3 . 1 . 5 ARG HA . . . 1 . 5 ARG HD* . . rr_2kk9 1 128 1 OR . 1 1 6 6 ASP H H . . . 1 1 6 6 ASP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ASP H . . A . 6 ASP HB2 . 1 . 6 ASP HN . . . 1 . 6 ASP HB* . . rr_2kk9 1 128 2 OR . 1 1 6 6 ASP H H . . . 1 1 6 6 ASP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ASP H . . A . 6 ASP HB3 . 1 . 6 ASP HN . . . 1 . 6 ASP HB* . . rr_2kk9 1 129 1 OR . 1 1 6 6 ASP HA H . . . 1 1 6 6 ASP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ASP HA . . A . 6 ASP HB2 . 1 . 6 ASP HA . . . 1 . 6 ASP HB* . . rr_2kk9 1 129 2 OR . 1 1 6 6 ASP HA H . . . 1 1 6 6 ASP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ASP HA . . A . 6 ASP HB3 . 1 . 6 ASP HA . . . 1 . 6 ASP HB* . . rr_2kk9 1 130 1 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU H . . A . 7 LEU HB2 . 1 . 7 LEU HN . . . 1 . 7 LEU HB* . . rr_2kk9 1 130 2 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU H . . A . 7 LEU HB3 . 1 . 7 LEU HN . . . 1 . 7 LEU HB* . . rr_2kk9 1 131 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD2 H . . . . . 5.0 3.5 6.0 . . . . . A . 7 LEU H . . A . 7 LEU MD2 . 1 . 7 LEU HN . . . 1 . 7 LEU HDS* . . rr_2kk9 1 132 1 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU HA . . A . 7 LEU HB2 . 1 . 7 LEU HA . . . 1 . 7 LEU HB* . . rr_2kk9 1 132 2 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU HA . . A . 7 LEU HB3 . 1 . 7 LEU HA . . . 1 . 7 LEU HB* . . rr_2kk9 1 133 1 . . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU MD1 H . . . . . 5.0 3.5 6.0 . . . . . A . 7 LEU HA . . A . 7 LEU MD1 . 1 . 7 LEU HA . . . 1 . 7 LEU HDR* . . rr_2kk9 1 134 1 . . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 7 LEU HA . . A . 7 LEU MD2 . 1 . 7 LEU HA . . . 1 . 7 LEU HDS* . . rr_2kk9 1 135 1 OR . 1 1 8 8 ASP H H . . . 1 1 8 8 ASP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 ASP H . . A . 8 ASP HB2 . 1 . 8 ASP HN . . . 1 . 8 ASP HB* . . rr_2kk9 1 135 2 OR . 1 1 8 8 ASP H H . . . 1 1 8 8 ASP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 ASP H . . A . 8 ASP HB3 . 1 . 8 ASP HN . . . 1 . 8 ASP HB* . . rr_2kk9 1 136 1 OR . 1 1 8 8 ASP HA H . . . 1 1 8 8 ASP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 ASP HA . . A . 8 ASP HB2 . 1 . 8 ASP HA . . . 1 . 8 ASP HB* . . rr_2kk9 1 136 2 OR . 1 1 8 8 ASP HA H . . . 1 1 8 8 ASP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 ASP HA . . A . 8 ASP HB3 . 1 . 8 ASP HA . . . 1 . 8 ASP HB* . . rr_2kk9 1 137 1 . . 1 1 9 9 ALA H H . . . 1 1 9 9 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 9 ALA H . . A . 9 ALA MB . 1 . 9 ALA HN . . . 1 . 9 ALA HB* . . rr_2kk9 1 138 1 . . 1 1 9 9 ALA HA H . . . 1 1 9 9 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 9 ALA HA . . A . 9 ALA MB . 1 . 9 ALA HA . . . 1 . 9 ALA HB* . . rr_2kk9 1 139 1 OR . 1 1 10 10 SER H H . . . 1 1 10 10 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 SER H . . A . 10 SER HB2 . 1 . 10 SER HN . . . 1 . 10 SER HB* . . rr_2kk9 1 139 2 OR . 1 1 10 10 SER H H . . . 1 1 10 10 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 SER H . . A . 10 SER HB3 . 1 . 10 SER HN . . . 1 . 10 SER HB* . . rr_2kk9 1 140 1 OR . 1 1 10 10 SER HA H . . . 1 1 10 10 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 SER HA . . A . 10 SER HB2 . 1 . 10 SER HA . . . 1 . 10 SER HB* . . rr_2kk9 1 140 2 OR . 1 1 10 10 SER HA H . . . 1 1 10 10 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 SER HA . . A . 10 SER HB3 . 1 . 10 SER HA . . . 1 . 10 SER HB* . . rr_2kk9 1 141 1 . . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 11 ARG H . . A . 11 ARG HB2 . 1 . 11 ARG HN . . . 1 . 11 ARG HBR . . rr_2kk9 1 142 1 . . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 11 ARG H . . A . 11 ARG HB3 . 1 . 11 ARG HN . . . 1 . 11 ARG HBS . . rr_2kk9 1 143 1 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 11 ARG H . . A . 11 ARG HG2 . 1 . 11 ARG HN . . . 1 . 11 ARG HG* . . rr_2kk9 1 143 2 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 11 ARG H . . A . 11 ARG HG3 . 1 . 11 ARG HN . . . 1 . 11 ARG HG* . . rr_2kk9 1 144 1 . . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ARG HA . . A . 11 ARG HB2 . 1 . 11 ARG HA . . . 1 . 11 ARG HBR . . rr_2kk9 1 145 1 . . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ARG HA . . A . 11 ARG HB3 . 1 . 11 ARG HA . . . 1 . 11 ARG HBS . . rr_2kk9 1 146 1 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 11 ARG HA . . A . 11 ARG HG2 . 1 . 11 ARG HA . . . 1 . 11 ARG HG* . . rr_2kk9 1 146 2 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 11 ARG HA . . A . 11 ARG HG3 . 1 . 11 ARG HA . . . 1 . 11 ARG HG* . . rr_2kk9 1 147 1 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ARG HA . . A . 11 ARG HD2 . 1 . 11 ARG HA . . . 1 . 11 ARG HD* . . rr_2kk9 1 147 2 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ARG HA . . A . 11 ARG HD3 . 1 . 11 ARG HA . . . 1 . 11 ARG HD* . . rr_2kk9 1 148 1 OR . 1 1 12 12 GLU H H . . . 1 1 12 12 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 GLU H . . A . 12 GLU HB2 . 1 . 12 GLU HN . . . 1 . 12 GLU HB* . . rr_2kk9 1 148 2 OR . 1 1 12 12 GLU H H . . . 1 1 12 12 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 GLU H . . A . 12 GLU HB3 . 1 . 12 GLU HN . . . 1 . 12 GLU HB* . . rr_2kk9 1 149 1 OR . 1 1 12 12 GLU H H . . . 1 1 12 12 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLU H . . A . 12 GLU HG2 . 1 . 12 GLU HN . . . 1 . 12 GLU HG* . . rr_2kk9 1 149 2 OR . 1 1 12 12 GLU H H . . . 1 1 12 12 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLU H . . A . 12 GLU HG3 . 1 . 12 GLU HN . . . 1 . 12 GLU HG* . . rr_2kk9 1 150 1 OR . 1 1 12 12 GLU HA H . . . 1 1 12 12 GLU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLU HA . . A . 12 GLU HB2 . 1 . 12 GLU HA . . . 1 . 12 GLU HB* . . rr_2kk9 1 150 2 OR . 1 1 12 12 GLU HA H . . . 1 1 12 12 GLU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLU HA . . A . 12 GLU HB3 . 1 . 12 GLU HA . . . 1 . 12 GLU HB* . . rr_2kk9 1 151 1 OR . 1 1 12 12 GLU HA H . . . 1 1 12 12 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLU HA . . A . 12 GLU HG2 . 1 . 12 GLU HA . . . 1 . 12 GLU HG* . . rr_2kk9 1 151 2 OR . 1 1 12 12 GLU HA H . . . 1 1 12 12 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLU HA . . A . 12 GLU HG3 . 1 . 12 GLU HA . . . 1 . 12 GLU HG* . . rr_2kk9 1 152 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ALA H . . A . 13 ALA MB . 1 . 13 ALA HN . . . 1 . 13 ALA HB* . . rr_2kk9 1 153 1 . . 1 1 13 13 ALA HA H . . . 1 1 13 13 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 13 ALA HA . . A . 13 ALA MB . 1 . 13 ALA HA . . . 1 . 13 ALA HB* . . rr_2kk9 1 154 1 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LYS H . . A . 14 LYS HB2 . 1 . 14 LYS HN . . . 1 . 14 LYS HB* . . rr_2kk9 1 154 2 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LYS H . . A . 14 LYS HB3 . 1 . 14 LYS HN . . . 1 . 14 LYS HB* . . rr_2kk9 1 155 1 . . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 14 LYS H . . A . 14 LYS HG2 . 1 . 14 LYS HN . . . 1 . 14 LYS HGR . . rr_2kk9 1 156 1 . . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 14 LYS H . . A . 14 LYS HG3 . 1 . 14 LYS HN . . . 1 . 14 LYS HGS . . rr_2kk9 1 157 1 OR . 1 1 14 14 LYS HA H . . . 1 1 14 14 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 LYS HA . . A . 14 LYS HB2 . 1 . 14 LYS HA . . . 1 . 14 LYS HB* . . rr_2kk9 1 157 2 OR . 1 1 14 14 LYS HA H . . . 1 1 14 14 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 LYS HA . . A . 14 LYS HB3 . 1 . 14 LYS HA . . . 1 . 14 LYS HB* . . rr_2kk9 1 158 1 . . 1 1 14 14 LYS HA H . . . 1 1 14 14 LYS HG2 H . . . . . 5.0 3.5 5.0 . . . . . A . 14 LYS HA . . A . 14 LYS HG2 . 1 . 14 LYS HA . . . 1 . 14 LYS HGR . . rr_2kk9 1 159 1 . . 1 1 14 14 LYS HA H . . . 1 1 14 14 LYS HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 14 LYS HA . . A . 14 LYS HG3 . 1 . 14 LYS HA . . . 1 . 14 LYS HGS . . rr_2kk9 1 160 1 OR . 1 1 14 14 LYS HA H . . . 1 1 14 14 LYS HE2 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LYS HA . . A . 14 LYS HE2 . 1 . 14 LYS HA . . . 1 . 14 LYS HE* . . rr_2kk9 1 160 2 OR . 1 1 14 14 LYS HA H . . . 1 1 14 14 LYS HE3 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 LYS HA . . A . 14 LYS HE3 . 1 . 14 LYS HA . . . 1 . 14 LYS HE* . . rr_2kk9 1 161 1 . . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 15 LYS H . . A . 15 LYS HB2 . 1 . 15 LYS HN . . . 1 . 15 LYS HBR . . rr_2kk9 1 162 1 . . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LYS H . . A . 15 LYS HB3 . 1 . 15 LYS HN . . . 1 . 15 LYS HBS . . rr_2kk9 1 163 1 . . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LYS H . . A . 15 LYS HG2 . 1 . 15 LYS HN . . . 1 . 15 LYS HGR . . rr_2kk9 1 164 1 . . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 15 LYS H . . A . 15 LYS HG3 . 1 . 15 LYS HN . . . 1 . 15 LYS HGS . . rr_2kk9 1 165 1 . . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LYS HA . . A . 15 LYS HB2 . 1 . 15 LYS HA . . . 1 . 15 LYS HBR . . rr_2kk9 1 166 1 . . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 15 LYS HA . . A . 15 LYS HB3 . 1 . 15 LYS HA . . . 1 . 15 LYS HBS . . rr_2kk9 1 167 1 . . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 15 LYS HA . . A . 15 LYS HG2 . 1 . 15 LYS HA . . . 1 . 15 LYS HGR . . rr_2kk9 1 168 1 . . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 15 LYS HA . . A . 15 LYS HG3 . 1 . 15 LYS HA . . . 1 . 15 LYS HGS . . rr_2kk9 1 169 1 OR . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HE2 H . . . . . 3.5 2.8 4.5 . . . . . A . 15 LYS HA . . A . 15 LYS HE2 . 1 . 15 LYS HA . . . 1 . 15 LYS HE* . . rr_2kk9 1 169 2 OR . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS HE3 H . . . . . 3.5 2.8 4.5 . . . . . A . 15 LYS HA . . A . 15 LYS HE3 . 1 . 15 LYS HA . . . 1 . 15 LYS HE* . . rr_2kk9 1 170 1 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 GLN H . . A . 16 GLN HB2 . 1 . 16 GLN HN . . . 1 . 16 GLN HB* . . rr_2kk9 1 170 2 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 GLN H . . A . 16 GLN HB3 . 1 . 16 GLN HN . . . 1 . 16 GLN HB* . . rr_2kk9 1 171 1 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 16 GLN H . . A . 16 GLN HG2 . 1 . 16 GLN HN . . . 1 . 16 GLN HG* . . rr_2kk9 1 171 2 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 16 GLN H . . A . 16 GLN HG3 . 1 . 16 GLN HN . . . 1 . 16 GLN HG* . . rr_2kk9 1 172 1 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 GLN HA . . A . 16 GLN HB2 . 1 . 16 GLN HA . . . 1 . 16 GLN HB* . . rr_2kk9 1 172 2 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 GLN HA . . A . 16 GLN HB3 . 1 . 16 GLN HA . . . 1 . 16 GLN HB* . . rr_2kk9 1 173 1 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 GLN HA . . A . 16 GLN HG2 . 1 . 16 GLN HA . . . 1 . 16 GLN HG* . . rr_2kk9 1 173 2 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 GLN HA . . A . 16 GLN HG3 . 1 . 16 GLN HA . . . 1 . 16 GLN HG* . . rr_2kk9 1 174 1 OR . 1 1 17 17 LEU H H . . . 1 1 17 17 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 LEU H . . A . 17 LEU HB2 . 1 . 17 LEU HN . . . 1 . 17 LEU HB* . . rr_2kk9 1 174 2 OR . 1 1 17 17 LEU H H . . . 1 1 17 17 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 LEU H . . A . 17 LEU HB3 . 1 . 17 LEU HN . . . 1 . 17 LEU HB* . . rr_2kk9 1 175 1 OR . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 LEU HA . . A . 17 LEU HB2 . 1 . 17 LEU HA . . . 1 . 17 LEU HB* . . rr_2kk9 1 175 2 OR . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 LEU HA . . A . 17 LEU HB3 . 1 . 17 LEU HA . . . 1 . 17 LEU HB* . . rr_2kk9 1 176 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU MD1 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 LEU HA . . A . 17 LEU MD1 . 1 . 17 LEU HA . . . 1 . 17 LEU HDR* . . rr_2kk9 1 177 1 . . 1 1 17 17 LEU HA H . . . 1 1 17 17 LEU MD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 LEU HA . . A . 17 LEU MD2 . 1 . 17 LEU HA . . . 1 . 17 LEU HDS* . . rr_2kk9 1 178 1 OR . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 GLU H . . A . 18 GLU HB2 . 1 . 18 GLU HN . . . 1 . 18 GLU HB* . . rr_2kk9 1 178 2 OR . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 GLU H . . A . 18 GLU HB3 . 1 . 18 GLU HN . . . 1 . 18 GLU HB* . . rr_2kk9 1 179 1 OR . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 GLU H . . A . 18 GLU HG2 . 1 . 18 GLU HN . . . 1 . 18 GLU HG* . . rr_2kk9 1 179 2 OR . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 GLU H . . A . 18 GLU HG3 . 1 . 18 GLU HN . . . 1 . 18 GLU HG* . . rr_2kk9 1 180 1 OR . 1 1 18 18 GLU HA H . . . 1 1 18 18 GLU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 GLU HA . . A . 18 GLU HB2 . 1 . 18 GLU HA . . . 1 . 18 GLU HB* . . rr_2kk9 1 180 2 OR . 1 1 18 18 GLU HA H . . . 1 1 18 18 GLU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 GLU HA . . A . 18 GLU HB3 . 1 . 18 GLU HA . . . 1 . 18 GLU HB* . . rr_2kk9 1 181 1 OR . 1 1 18 18 GLU HA H . . . 1 1 18 18 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 GLU HA . . A . 18 GLU HG2 . 1 . 18 GLU HA . . . 1 . 18 GLU HG* . . rr_2kk9 1 181 2 OR . 1 1 18 18 GLU HA H . . . 1 1 18 18 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 GLU HA . . A . 18 GLU HG3 . 1 . 18 GLU HA . . . 1 . 18 GLU HG* . . rr_2kk9 1 182 1 . . 1 1 19 19 ALA H H . . . 1 1 19 19 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 19 ALA H . . A . 19 ALA MB . 1 . 19 ALA HN . . . 1 . 19 ALA HB* . . rr_2kk9 1 183 1 . . 1 1 19 19 ALA HA H . . . 1 1 19 19 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 19 ALA HA . . A . 19 ALA MB . 1 . 19 ALA HA . . . 1 . 19 ALA HB* . . rr_2kk9 1 184 1 OR . 1 1 20 20 GLU H H . . . 1 1 20 20 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 20 GLU H . . A . 20 GLU HB2 . 1 . 20 GLU HN . . . 1 . 20 GLU HB* . . rr_2kk9 1 184 2 OR . 1 1 20 20 GLU H H . . . 1 1 20 20 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 20 GLU H . . A . 20 GLU HB3 . 1 . 20 GLU HN . . . 1 . 20 GLU HB* . . rr_2kk9 1 185 1 OR . 1 1 20 20 GLU H H . . . 1 1 20 20 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 20 GLU H . . A . 20 GLU HG2 . 1 . 20 GLU HN . . . 1 . 20 GLU HG* . . rr_2kk9 1 185 2 OR . 1 1 20 20 GLU H H . . . 1 1 20 20 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 20 GLU H . . A . 20 GLU HG3 . 1 . 20 GLU HN . . . 1 . 20 GLU HG* . . rr_2kk9 1 186 1 OR . 1 1 20 20 GLU HA H . . . 1 1 20 20 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 20 GLU HA . . A . 20 GLU HB2 . 1 . 20 GLU HA . . . 1 . 20 GLU HB* . . rr_2kk9 1 186 2 OR . 1 1 20 20 GLU HA H . . . 1 1 20 20 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 20 GLU HA . . A . 20 GLU HB3 . 1 . 20 GLU HA . . . 1 . 20 GLU HB* . . rr_2kk9 1 187 1 OR . 1 1 20 20 GLU HA H . . . 1 1 20 20 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 20 GLU HA . . A . 20 GLU HG2 . 1 . 20 GLU HA . . . 1 . 20 GLU HG* . . rr_2kk9 1 187 2 OR . 1 1 20 20 GLU HA H . . . 1 1 20 20 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 20 GLU HA . . A . 20 GLU HG3 . 1 . 20 GLU HA . . . 1 . 20 GLU HG* . . rr_2kk9 1 188 1 OR . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 21 GLN H . . A . 21 GLN HB2 . 1 . 21 GLN HN . . . 1 . 21 GLN HB* . . rr_2kk9 1 188 2 OR . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 21 GLN H . . A . 21 GLN HB3 . 1 . 21 GLN HN . . . 1 . 21 GLN HB* . . rr_2kk9 1 189 1 . . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 21 GLN H . . A . 21 GLN HG2 . 1 . 21 GLN HN . . . 1 . 21 GLN HGS . . rr_2kk9 1 190 1 . . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 21 GLN H . . A . 21 GLN HG3 . 1 . 21 GLN HN . . . 1 . 21 GLN HGR . . rr_2kk9 1 191 1 OR . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 21 GLN HA . . A . 21 GLN HB2 . 1 . 21 GLN HA . . . 1 . 21 GLN HB* . . rr_2kk9 1 191 2 OR . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 21 GLN HA . . A . 21 GLN HB3 . 1 . 21 GLN HA . . . 1 . 21 GLN HB* . . rr_2kk9 1 192 1 . . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 21 GLN HA . . A . 21 GLN HG2 . 1 . 21 GLN HA . . . 1 . 21 GLN HGS . . rr_2kk9 1 193 1 . . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 21 GLN HA . . A . 21 GLN HG3 . 1 . 21 GLN HA . . . 1 . 21 GLN HGR . . rr_2kk9 1 194 1 . . 1 1 22 22 GLN H H . . . 1 1 22 22 GLN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 22 GLN H . . A . 22 GLN HB2 . 1 . 22 GLN HN . . . 1 . 22 GLN HBR . . rr_2kk9 1 195 1 . . 1 1 22 22 GLN H H . . . 1 1 22 22 GLN HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 22 GLN H . . A . 22 GLN HB3 . 1 . 22 GLN HN . . . 1 . 22 GLN HBS . . rr_2kk9 1 196 1 OR . 1 1 22 22 GLN H H . . . 1 1 22 22 GLN HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 22 GLN H . . A . 22 GLN HG2 . 1 . 22 GLN HN . . . 1 . 22 GLN HG* . . rr_2kk9 1 196 2 OR . 1 1 22 22 GLN H H . . . 1 1 22 22 GLN HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 22 GLN H . . A . 22 GLN HG3 . 1 . 22 GLN HN . . . 1 . 22 GLN HG* . . rr_2kk9 1 197 1 . . 1 1 22 22 GLN HA H . . . 1 1 22 22 GLN HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 22 GLN HA . . A . 22 GLN HB3 . 1 . 22 GLN HA . . . 1 . 22 GLN HBS . . rr_2kk9 1 198 1 . . 1 1 22 22 GLN HA H . . . 1 1 22 22 GLN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 22 GLN HA . . A . 22 GLN HB2 . 1 . 22 GLN HA . . . 1 . 22 GLN HBR . . rr_2kk9 1 199 1 OR . 1 1 22 22 GLN HA H . . . 1 1 22 22 GLN HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 22 GLN HA . . A . 22 GLN HG2 . 1 . 22 GLN HA . . . 1 . 22 GLN HG* . . rr_2kk9 1 199 2 OR . 1 1 22 22 GLN HA H . . . 1 1 22 22 GLN HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 22 GLN HA . . A . 22 GLN HG3 . 1 . 22 GLN HA . . . 1 . 22 GLN HG* . . rr_2kk9 1 200 1 OR . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 23 LYS H . . A . 23 LYS HB2 . 1 . 23 LYS HN . . . 1 . 23 LYS HB* . . rr_2kk9 1 200 2 OR . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 23 LYS H . . A . 23 LYS HB3 . 1 . 23 LYS HN . . . 1 . 23 LYS HB* . . rr_2kk9 1 201 1 OR . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 23 LYS H . . A . 23 LYS HG2 . 1 . 23 LYS HN . . . 1 . 23 LYS HG* . . rr_2kk9 1 201 2 OR . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 23 LYS H . . A . 23 LYS HG3 . 1 . 23 LYS HN . . . 1 . 23 LYS HG* . . rr_2kk9 1 202 1 OR . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 23 LYS HA . . A . 23 LYS HB2 . 1 . 23 LYS HA . . . 1 . 23 LYS HB* . . rr_2kk9 1 202 2 OR . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 23 LYS HA . . A . 23 LYS HB3 . 1 . 23 LYS HA . . . 1 . 23 LYS HB* . . rr_2kk9 1 203 1 OR . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 23 LYS HA . . A . 23 LYS HG2 . 1 . 23 LYS HA . . . 1 . 23 LYS HG* . . rr_2kk9 1 203 2 OR . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 23 LYS HA . . A . 23 LYS HG3 . 1 . 23 LYS HA . . . 1 . 23 LYS HG* . . rr_2kk9 1 204 1 OR . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HE2 H . . . . . 3.5 2.8 4.5 . . . . . A . 23 LYS HA . . A . 23 LYS HE2 . 1 . 23 LYS HA . . . 1 . 23 LYS HE* . . rr_2kk9 1 204 2 OR . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS HE3 H . . . . . 3.5 2.8 4.5 . . . . . A . 23 LYS HA . . A . 23 LYS HE3 . 1 . 23 LYS HA . . . 1 . 23 LYS HE* . . rr_2kk9 1 205 1 OR . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 24 LEU H . . A . 24 LEU HB2 . 1 . 24 LEU HN . . . 1 . 24 LEU HB* . . rr_2kk9 1 205 2 OR . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 24 LEU H . . A . 24 LEU HB3 . 1 . 24 LEU HN . . . 1 . 24 LEU HB* . . rr_2kk9 1 206 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 24 LEU H . . A . 24 LEU MD1 . 1 . 24 LEU HN . . . 1 . 24 LEU HDR* . . rr_2kk9 1 207 1 . . 1 1 24 24 LEU H H . . . 1 1 24 24 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 24 LEU H . . A . 24 LEU MD2 . 1 . 24 LEU HN . . . 1 . 24 LEU HDS* . . rr_2kk9 1 208 1 OR . 1 1 24 24 LEU HA H . . . 1 1 24 24 LEU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 24 LEU HA . . A . 24 LEU HB2 . 1 . 24 LEU HA . . . 1 . 24 LEU HB* . . rr_2kk9 1 208 2 OR . 1 1 24 24 LEU HA H . . . 1 1 24 24 LEU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 24 LEU HA . . A . 24 LEU HB3 . 1 . 24 LEU HA . . . 1 . 24 LEU HB* . . rr_2kk9 1 209 1 . . 1 1 24 24 LEU HA H . . . 1 1 24 24 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 24 LEU HA . . A . 24 LEU MD1 . 1 . 24 LEU HA . . . 1 . 24 LEU HDR* . . rr_2kk9 1 210 1 . . 1 1 24 24 LEU HA H . . . 1 1 24 24 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 24 LEU HA . . A . 24 LEU MD2 . 1 . 24 LEU HA . . . 1 . 24 LEU HDS* . . rr_2kk9 1 211 1 OR . 1 1 25 25 GLU H H . . . 1 1 25 25 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 25 GLU H . . A . 25 GLU HB2 . 1 . 25 GLU HN . . . 1 . 25 GLU HB* . . rr_2kk9 1 211 2 OR . 1 1 25 25 GLU H H . . . 1 1 25 25 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 25 GLU H . . A . 25 GLU HB3 . 1 . 25 GLU HN . . . 1 . 25 GLU HB* . . rr_2kk9 1 212 1 OR . 1 1 25 25 GLU H H . . . 1 1 25 25 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 25 GLU H . . A . 25 GLU HG2 . 1 . 25 GLU HN . . . 1 . 25 GLU HG* . . rr_2kk9 1 212 2 OR . 1 1 25 25 GLU H H . . . 1 1 25 25 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 25 GLU H . . A . 25 GLU HG3 . 1 . 25 GLU HN . . . 1 . 25 GLU HG* . . rr_2kk9 1 213 1 OR . 1 1 25 25 GLU HA H . . . 1 1 25 25 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 25 GLU HA . . A . 25 GLU HB2 . 1 . 25 GLU HA . . . 1 . 25 GLU HB* . . rr_2kk9 1 213 2 OR . 1 1 25 25 GLU HA H . . . 1 1 25 25 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 25 GLU HA . . A . 25 GLU HB3 . 1 . 25 GLU HA . . . 1 . 25 GLU HB* . . rr_2kk9 1 214 1 OR . 1 1 25 25 GLU HA H . . . 1 1 25 25 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 25 GLU HA . . A . 25 GLU HG2 . 1 . 25 GLU HA . . . 1 . 25 GLU HG* . . rr_2kk9 1 214 2 OR . 1 1 25 25 GLU HA H . . . 1 1 25 25 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 25 GLU HA . . A . 25 GLU HG3 . 1 . 25 GLU HA . . . 1 . 25 GLU HG* . . rr_2kk9 1 215 1 OR . 1 1 26 26 GLU H H . . . 1 1 26 26 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 26 GLU H . . A . 26 GLU HB2 . 1 . 26 GLU HN . . . 1 . 26 GLU HB* . . rr_2kk9 1 215 2 OR . 1 1 26 26 GLU H H . . . 1 1 26 26 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 26 GLU H . . A . 26 GLU HB3 . 1 . 26 GLU HN . . . 1 . 26 GLU HB* . . rr_2kk9 1 216 1 OR . 1 1 26 26 GLU H H . . . 1 1 26 26 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 26 GLU H . . A . 26 GLU HG2 . 1 . 26 GLU HN . . . 1 . 26 GLU HG* . . rr_2kk9 1 216 2 OR . 1 1 26 26 GLU H H . . . 1 1 26 26 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 26 GLU H . . A . 26 GLU HG3 . 1 . 26 GLU HN . . . 1 . 26 GLU HG* . . rr_2kk9 1 217 1 OR . 1 1 26 26 GLU HA H . . . 1 1 26 26 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 26 GLU HA . . A . 26 GLU HB2 . 1 . 26 GLU HA . . . 1 . 26 GLU HB* . . rr_2kk9 1 217 2 OR . 1 1 26 26 GLU HA H . . . 1 1 26 26 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 26 GLU HA . . A . 26 GLU HB3 . 1 . 26 GLU HA . . . 1 . 26 GLU HB* . . rr_2kk9 1 218 1 OR . 1 1 26 26 GLU HA H . . . 1 1 26 26 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 26 GLU HA . . A . 26 GLU HG2 . 1 . 26 GLU HA . . . 1 . 26 GLU HG* . . rr_2kk9 1 218 2 OR . 1 1 26 26 GLU HA H . . . 1 1 26 26 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 26 GLU HA . . A . 26 GLU HG3 . 1 . 26 GLU HA . . . 1 . 26 GLU HG* . . rr_2kk9 1 219 1 OR . 1 1 27 27 GLN H H . . . 1 1 27 27 GLN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 27 GLN H . . A . 27 GLN HB2 . 1 . 27 GLN HN . . . 1 . 27 GLN HB* . . rr_2kk9 1 219 2 OR . 1 1 27 27 GLN H H . . . 1 1 27 27 GLN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 27 GLN H . . A . 27 GLN HB3 . 1 . 27 GLN HN . . . 1 . 27 GLN HB* . . rr_2kk9 1 220 1 OR . 1 1 27 27 GLN H H . . . 1 1 27 27 GLN HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 27 GLN H . . A . 27 GLN HG2 . 1 . 27 GLN HN . . . 1 . 27 GLN HG* . . rr_2kk9 1 220 2 OR . 1 1 27 27 GLN H H . . . 1 1 27 27 GLN HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 27 GLN H . . A . 27 GLN HG3 . 1 . 27 GLN HN . . . 1 . 27 GLN HG* . . rr_2kk9 1 221 1 OR . 1 1 27 27 GLN HA H . . . 1 1 27 27 GLN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 27 GLN HA . . A . 27 GLN HB2 . 1 . 27 GLN HA . . . 1 . 27 GLN HB* . . rr_2kk9 1 221 2 OR . 1 1 27 27 GLN HA H . . . 1 1 27 27 GLN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 27 GLN HA . . A . 27 GLN HB3 . 1 . 27 GLN HA . . . 1 . 27 GLN HB* . . rr_2kk9 1 222 1 OR . 1 1 27 27 GLN HA H . . . 1 1 27 27 GLN HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 27 GLN HA . . A . 27 GLN HG2 . 1 . 27 GLN HA . . . 1 . 27 GLN HG* . . rr_2kk9 1 222 2 OR . 1 1 27 27 GLN HA H . . . 1 1 27 27 GLN HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 27 GLN HA . . A . 27 GLN HG3 . 1 . 27 GLN HA . . . 1 . 27 GLN HG* . . rr_2kk9 1 223 1 OR . 1 1 28 28 ASN H H . . . 1 1 28 28 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 28 ASN H . . A . 28 ASN HB2 . 1 . 28 ASN HN . . . 1 . 28 ASN HB* . . rr_2kk9 1 223 2 OR . 1 1 28 28 ASN H H . . . 1 1 28 28 ASN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 28 ASN H . . A . 28 ASN HB3 . 1 . 28 ASN HN . . . 1 . 28 ASN HB* . . rr_2kk9 1 224 1 OR . 1 1 28 28 ASN HA H . . . 1 1 28 28 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 28 ASN HA . . A . 28 ASN HB2 . 1 . 28 ASN HA . . . 1 . 28 ASN HB* . . rr_2kk9 1 224 2 OR . 1 1 28 28 ASN HA H . . . 1 1 28 28 ASN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 28 ASN HA . . A . 28 ASN HB3 . 1 . 28 ASN HA . . . 1 . 28 ASN HB* . . rr_2kk9 1 225 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 29 LYS H . . A . 29 LYS HB2 . 1 . 29 LYS HN . . . 1 . 29 LYS HBR . . rr_2kk9 1 226 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 29 LYS H . . A . 29 LYS HB3 . 1 . 29 LYS HN . . . 1 . 29 LYS HBS . . rr_2kk9 1 227 1 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 29 LYS H . . A . 29 LYS HG2 . 1 . 29 LYS HN . . . 1 . 29 LYS HG* . . rr_2kk9 1 227 2 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 29 LYS H . . A . 29 LYS HG3 . 1 . 29 LYS HN . . . 1 . 29 LYS HG* . . rr_2kk9 1 228 1 . . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 29 LYS HA . . A . 29 LYS HB2 . 1 . 29 LYS HA . . . 1 . 29 LYS HBR . . rr_2kk9 1 229 1 . . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 29 LYS HA . . A . 29 LYS HB3 . 1 . 29 LYS HA . . . 1 . 29 LYS HBS . . rr_2kk9 1 230 1 OR . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 29 LYS HA . . A . 29 LYS HG2 . 1 . 29 LYS HA . . . 1 . 29 LYS HG* . . rr_2kk9 1 230 2 OR . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 29 LYS HA . . A . 29 LYS HG3 . 1 . 29 LYS HA . . . 1 . 29 LYS HG* . . rr_2kk9 1 231 1 OR . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HE2 H . . . . . 3.5 2.8 4.5 . . . . . A . 29 LYS HA . . A . 29 LYS HE2 . 1 . 29 LYS HA . . . 1 . 29 LYS HE* . . rr_2kk9 1 231 2 OR . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HE3 H . . . . . 3.5 2.8 4.5 . . . . . A . 29 LYS HA . . A . 29 LYS HE3 . 1 . 29 LYS HA . . . 1 . 29 LYS HE* . . rr_2kk9 1 232 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE HB H . . . . . 3.5 2.8 3.5 . . . . . A . 30 ILE H . . A . 30 ILE HB . 1 . 30 ILE HN . . . 1 . 30 ILE HB . . rr_2kk9 1 233 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE HG12 H . . . . . 3.5 2.8 3.5 . . . . . A . 30 ILE H . . A . 30 ILE HG12 . 1 . 30 ILE HN . . . 1 . 30 ILE HG1R . . rr_2kk9 1 234 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE HG13 H . . . . . 5.0 3.5 5.0 . . . . . A . 30 ILE H . . A . 30 ILE HG13 . 1 . 30 ILE HN . . . 1 . 30 ILE HG1S . . rr_2kk9 1 235 1 . . 1 1 30 30 ILE H H . . . 1 1 30 30 ILE MD H . . . . . 3.5 2.8 4.5 . . . . . A . 30 ILE H . . A . 30 ILE MD . 1 . 30 ILE HN . . . 1 . 30 ILE HD1* . . rr_2kk9 1 236 1 . . 1 1 30 30 ILE HA H . . . 1 1 30 30 ILE HB H . . . . . 3.5 2.8 3.5 . . . . . A . 30 ILE HA . . A . 30 ILE HB . 1 . 30 ILE HA . . . 1 . 30 ILE HB . . rr_2kk9 1 237 1 . . 1 1 30 30 ILE HA H . . . 1 1 30 30 ILE HG12 H . . . . . 5.0 3.5 5.0 . . . . . A . 30 ILE HA . . A . 30 ILE HG12 . 1 . 30 ILE HA . . . 1 . 30 ILE HG1R . . rr_2kk9 1 238 1 . . 1 1 30 30 ILE HA H . . . 1 1 30 30 ILE HG13 H . . . . . 5.0 3.5 5.0 . . . . . A . 30 ILE HA . . A . 30 ILE HG13 . 1 . 30 ILE HA . . . 1 . 30 ILE HG1S . . rr_2kk9 1 239 1 . . 1 1 30 30 ILE HA H . . . 1 1 30 30 ILE MD H . . . . . 3.5 2.8 4.5 . . . . . A . 30 ILE HA . . A . 30 ILE MD . 1 . 30 ILE HA . . . 1 . 30 ILE HD1* . . rr_2kk9 1 240 1 OR . 1 1 31 31 SER H H . . . 1 1 31 31 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 31 SER H . . A . 31 SER HB2 . 1 . 31 SER HN . . . 1 . 31 SER HB* . . rr_2kk9 1 240 2 OR . 1 1 31 31 SER H H . . . 1 1 31 31 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 31 SER H . . A . 31 SER HB3 . 1 . 31 SER HN . . . 1 . 31 SER HB* . . rr_2kk9 1 241 1 OR . 1 1 31 31 SER HA H . . . 1 1 31 31 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 31 SER HA . . A . 31 SER HB2 . 1 . 31 SER HA . . . 1 . 31 SER HB* . . rr_2kk9 1 241 2 OR . 1 1 31 31 SER HA H . . . 1 1 31 31 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 31 SER HA . . A . 31 SER HB3 . 1 . 31 SER HA . . . 1 . 31 SER HB* . . rr_2kk9 1 242 1 OR . 1 1 32 32 GLU H H . . . 1 1 32 32 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 32 GLU H . . A . 32 GLU HB2 . 1 . 32 GLU HN . . . 1 . 32 GLU HB* . . rr_2kk9 1 242 2 OR . 1 1 32 32 GLU H H . . . 1 1 32 32 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 32 GLU H . . A . 32 GLU HB3 . 1 . 32 GLU HN . . . 1 . 32 GLU HB* . . rr_2kk9 1 243 1 OR . 1 1 32 32 GLU H H . . . 1 1 32 32 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 32 GLU H . . A . 32 GLU HG2 . 1 . 32 GLU HN . . . 1 . 32 GLU HG* . . rr_2kk9 1 243 2 OR . 1 1 32 32 GLU H H . . . 1 1 32 32 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 32 GLU H . . A . 32 GLU HG3 . 1 . 32 GLU HN . . . 1 . 32 GLU HG* . . rr_2kk9 1 244 1 OR . 1 1 32 32 GLU HA H . . . 1 1 32 32 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 32 GLU HA . . A . 32 GLU HB2 . 1 . 32 GLU HA . . . 1 . 32 GLU HB* . . rr_2kk9 1 244 2 OR . 1 1 32 32 GLU HA H . . . 1 1 32 32 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 32 GLU HA . . A . 32 GLU HB3 . 1 . 32 GLU HA . . . 1 . 32 GLU HB* . . rr_2kk9 1 245 1 OR . 1 1 32 32 GLU HA H . . . 1 1 32 32 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 32 GLU HA . . A . 32 GLU HG2 . 1 . 32 GLU HA . . . 1 . 32 GLU HG* . . rr_2kk9 1 245 2 OR . 1 1 32 32 GLU HA H . . . 1 1 32 32 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 32 GLU HA . . A . 32 GLU HG3 . 1 . 32 GLU HA . . . 1 . 32 GLU HG* . . rr_2kk9 1 246 1 . . 1 1 33 33 ALA H H . . . 1 1 33 33 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 33 ALA H . . A . 33 ALA MB . 1 . 33 ALA HN . . . 1 . 33 ALA HB* . . rr_2kk9 1 247 1 . . 1 1 33 33 ALA HA H . . . 1 1 33 33 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 33 ALA HA . . A . 33 ALA MB . 1 . 33 ALA HA . . . 1 . 33 ALA HB* . . rr_2kk9 1 248 1 OR . 1 1 34 34 SER H H . . . 1 1 34 34 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 34 SER H . . A . 34 SER HB2 . 1 . 34 SER HN . . . 1 . 34 SER HB* . . rr_2kk9 1 248 2 OR . 1 1 34 34 SER H H . . . 1 1 34 34 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 34 SER H . . A . 34 SER HB3 . 1 . 34 SER HN . . . 1 . 34 SER HB* . . rr_2kk9 1 249 1 OR . 1 1 34 34 SER HA H . . . 1 1 34 34 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 34 SER HA . . A . 34 SER HB2 . 1 . 34 SER HA . . . 1 . 34 SER HB* . . rr_2kk9 1 249 2 OR . 1 1 34 34 SER HA H . . . 1 1 34 34 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 34 SER HA . . A . 34 SER HB3 . 1 . 34 SER HA . . . 1 . 34 SER HB* . . rr_2kk9 1 250 1 . . 1 1 35 35 ARG H H . . . 1 1 35 35 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 35 ARG H . . A . 35 ARG HB2 . 1 . 35 ARG HN . . . 1 . 35 ARG HBR . . rr_2kk9 1 251 1 . . 1 1 35 35 ARG H H . . . 1 1 35 35 ARG HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 35 ARG H . . A . 35 ARG HB3 . 1 . 35 ARG HN . . . 1 . 35 ARG HBS . . rr_2kk9 1 252 1 . . 1 1 35 35 ARG H H . . . 1 1 35 35 ARG HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 35 ARG H . . A . 35 ARG HG2 . 1 . 35 ARG HN . . . 1 . 35 ARG HGS . . rr_2kk9 1 253 1 . . 1 1 35 35 ARG H H . . . 1 1 35 35 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 35 ARG H . . A . 35 ARG HG3 . 1 . 35 ARG HN . . . 1 . 35 ARG HGR . . rr_2kk9 1 254 1 . . 1 1 35 35 ARG HA H . . . 1 1 35 35 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 35 ARG HA . . A . 35 ARG HB2 . 1 . 35 ARG HA . . . 1 . 35 ARG HBR . . rr_2kk9 1 255 1 . . 1 1 35 35 ARG HA H . . . 1 1 35 35 ARG HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 35 ARG HA . . A . 35 ARG HB3 . 1 . 35 ARG HA . . . 1 . 35 ARG HBS . . rr_2kk9 1 256 1 . . 1 1 35 35 ARG HA H . . . 1 1 35 35 ARG HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 35 ARG HA . . A . 35 ARG HG2 . 1 . 35 ARG HA . . . 1 . 35 ARG HGS . . rr_2kk9 1 257 1 . . 1 1 35 35 ARG HA H . . . 1 1 35 35 ARG HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 35 ARG HA . . A . 35 ARG HG3 . 1 . 35 ARG HA . . . 1 . 35 ARG HGR . . rr_2kk9 1 258 1 OR . 1 1 35 35 ARG HA H . . . 1 1 35 35 ARG HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 35 ARG HA . . A . 35 ARG HD2 . 1 . 35 ARG HA . . . 1 . 35 ARG HD* . . rr_2kk9 1 258 2 OR . 1 1 35 35 ARG HA H . . . 1 1 35 35 ARG HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 35 ARG HA . . A . 35 ARG HD3 . 1 . 35 ARG HA . . . 1 . 35 ARG HD* . . rr_2kk9 1 259 1 OR . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 36 LYS H . . A . 36 LYS HB2 . 1 . 36 LYS HN . . . 1 . 36 LYS HB* . . rr_2kk9 1 259 2 OR . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 36 LYS H . . A . 36 LYS HB3 . 1 . 36 LYS HN . . . 1 . 36 LYS HB* . . rr_2kk9 1 260 1 . . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 36 LYS H . . A . 36 LYS HG2 . 1 . 36 LYS HN . . . 1 . 36 LYS HGR . . rr_2kk9 1 261 1 . . 1 1 36 36 LYS H H . . . 1 1 36 36 LYS HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 36 LYS H . . A . 36 LYS HG3 . 1 . 36 LYS HN . . . 1 . 36 LYS HGS . . rr_2kk9 1 262 1 OR . 1 1 36 36 LYS HA H . . . 1 1 36 36 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 36 LYS HA . . A . 36 LYS HB2 . 1 . 36 LYS HA . . . 1 . 36 LYS HB* . . rr_2kk9 1 262 2 OR . 1 1 36 36 LYS HA H . . . 1 1 36 36 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 36 LYS HA . . A . 36 LYS HB3 . 1 . 36 LYS HA . . . 1 . 36 LYS HB* . . rr_2kk9 1 263 1 . . 1 1 36 36 LYS HA H . . . 1 1 36 36 LYS HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 36 LYS HA . . A . 36 LYS HG2 . 1 . 36 LYS HA . . . 1 . 36 LYS HGR . . rr_2kk9 1 264 1 . . 1 1 36 36 LYS HA H . . . 1 1 36 36 LYS HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 36 LYS HA . . A . 36 LYS HG3 . 1 . 36 LYS HA . . . 1 . 36 LYS HGS . . rr_2kk9 1 265 1 OR . 1 1 36 36 LYS HA H . . . 1 1 36 36 LYS HE2 H . . . . . 3.5 2.8 4.5 . . . . . A . 36 LYS HA . . A . 36 LYS HE2 . 1 . 36 LYS HA . . . 1 . 36 LYS HE* . . rr_2kk9 1 265 2 OR . 1 1 36 36 LYS HA H . . . 1 1 36 36 LYS HE3 H . . . . . 3.5 2.8 4.5 . . . . . A . 36 LYS HA . . A . 36 LYS HE3 . 1 . 36 LYS HA . . . 1 . 36 LYS HE* . . rr_2kk9 1 266 1 . . 1 1 37 37 GLY HA2 H . . . 1 1 37 37 GLY HA3 H . . . . . 2.8 1.8 2.8 . . . . . A . 37 GLY HA2 . . A . 37 GLY HA3 . 1 . 37 GLY HAR . . . 1 . 37 GLY HAS . . rr_2kk9 1 267 1 OR . 1 1 38 38 LEU H H . . . 1 1 38 38 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 38 LEU H . . A . 38 LEU HB2 . 1 . 38 LEU HN . . . 1 . 38 LEU HB* . . rr_2kk9 1 267 2 OR . 1 1 38 38 LEU H H . . . 1 1 38 38 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 38 LEU H . . A . 38 LEU HB3 . 1 . 38 LEU HN . . . 1 . 38 LEU HB* . . rr_2kk9 1 268 1 . . 1 1 38 38 LEU H H . . . 1 1 38 38 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 38 LEU H . . A . 38 LEU MD1 . 1 . 38 LEU HN . . . 1 . 38 LEU HDR* . . rr_2kk9 1 269 1 . . 1 1 38 38 LEU H H . . . 1 1 38 38 LEU MD2 H . . . . . 5.0 3.5 6.0 . . . . . A . 38 LEU H . . A . 38 LEU MD2 . 1 . 38 LEU HN . . . 1 . 38 LEU HDS* . . rr_2kk9 1 270 1 OR . 1 1 38 38 LEU HA H . . . 1 1 38 38 LEU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 38 LEU HA . . A . 38 LEU HB2 . 1 . 38 LEU HA . . . 1 . 38 LEU HB* . . rr_2kk9 1 270 2 OR . 1 1 38 38 LEU HA H . . . 1 1 38 38 LEU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 38 LEU HA . . A . 38 LEU HB3 . 1 . 38 LEU HA . . . 1 . 38 LEU HB* . . rr_2kk9 1 271 1 . . 1 1 38 38 LEU HA H . . . 1 1 38 38 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 38 LEU HA . . A . 38 LEU MD1 . 1 . 38 LEU HA . . . 1 . 38 LEU HDR* . . rr_2kk9 1 272 1 . . 1 1 38 38 LEU HA H . . . 1 1 38 38 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 38 LEU HA . . A . 38 LEU MD2 . 1 . 38 LEU HA . . . 1 . 38 LEU HDS* . . rr_2kk9 1 273 1 . . 1 1 39 39 ARG H H . . . 1 1 39 39 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 39 ARG H . . A . 39 ARG HB2 . 1 . 39 ARG HN . . . 1 . 39 ARG HBR . . rr_2kk9 1 274 1 . . 1 1 39 39 ARG H H . . . 1 1 39 39 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 39 ARG H . . A . 39 ARG HB3 . 1 . 39 ARG HN . . . 1 . 39 ARG HBS . . rr_2kk9 1 275 1 OR . 1 1 39 39 ARG H H . . . 1 1 39 39 ARG HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 39 ARG H . . A . 39 ARG HG2 . 1 . 39 ARG HN . . . 1 . 39 ARG HG* . . rr_2kk9 1 275 2 OR . 1 1 39 39 ARG H H . . . 1 1 39 39 ARG HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 39 ARG H . . A . 39 ARG HG3 . 1 . 39 ARG HN . . . 1 . 39 ARG HG* . . rr_2kk9 1 276 1 . . 1 1 39 39 ARG HA H . . . 1 1 39 39 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 39 ARG HA . . A . 39 ARG HB2 . 1 . 39 ARG HA . . . 1 . 39 ARG HBR . . rr_2kk9 1 277 1 . . 1 1 39 39 ARG HA H . . . 1 1 39 39 ARG HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 39 ARG HA . . A . 39 ARG HB3 . 1 . 39 ARG HA . . . 1 . 39 ARG HBS . . rr_2kk9 1 278 1 OR . 1 1 39 39 ARG HA H . . . 1 1 39 39 ARG HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 39 ARG HA . . A . 39 ARG HG2 . 1 . 39 ARG HA . . . 1 . 39 ARG HG* . . rr_2kk9 1 278 2 OR . 1 1 39 39 ARG HA H . . . 1 1 39 39 ARG HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 39 ARG HA . . A . 39 ARG HG3 . 1 . 39 ARG HA . . . 1 . 39 ARG HG* . . rr_2kk9 1 279 1 OR . 1 1 39 39 ARG HA H . . . 1 1 39 39 ARG HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 39 ARG HA . . A . 39 ARG HD2 . 1 . 39 ARG HA . . . 1 . 39 ARG HD* . . rr_2kk9 1 279 2 OR . 1 1 39 39 ARG HA H . . . 1 1 39 39 ARG HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 39 ARG HA . . A . 39 ARG HD3 . 1 . 39 ARG HA . . . 1 . 39 ARG HD* . . rr_2kk9 1 280 1 . . 1 1 40 40 ARG H H . . . 1 1 40 40 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 40 ARG H . . A . 40 ARG HB2 . 1 . 40 ARG HN . . . 1 . 40 ARG HB1 . . rr_2kk9 1 281 1 OR . 1 1 43 43 ASP HA H . . . 1 1 43 43 ASP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 43 ASP HA . . A . 43 ASP HB2 . 1 . 43 ASP HA . . . 1 . 43 ASP HB* . . rr_2kk9 1 281 2 OR . 1 1 43 43 ASP HA H . . . 1 1 43 43 ASP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 43 ASP HA . . A . 43 ASP HB3 . 1 . 43 ASP HA . . . 1 . 43 ASP HB* . . rr_2kk9 1 282 1 . . 1 1 44 44 ALA H H . . . 1 1 44 44 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 44 ALA H . . A . 44 ALA MB . 1 . 44 ALA HN . . . 1 . 44 ALA HB* . . rr_2kk9 1 283 1 . . 1 1 44 44 ALA HA H . . . 1 1 44 44 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 44 ALA HA . . A . 44 ALA MB . 1 . 44 ALA HA . . . 1 . 44 ALA HB* . . rr_2kk9 1 284 1 OR . 1 1 45 45 SER H H . . . 1 1 45 45 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 45 SER H . . A . 45 SER HB2 . 1 . 45 SER HN . . . 1 . 45 SER HB* . . rr_2kk9 1 284 2 OR . 1 1 45 45 SER H H . . . 1 1 45 45 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 45 SER H . . A . 45 SER HB3 . 1 . 45 SER HN . . . 1 . 45 SER HB* . . rr_2kk9 1 285 1 OR . 1 1 45 45 SER HA H . . . 1 1 45 45 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 45 SER HA . . A . 45 SER HB2 . 1 . 45 SER HA . . . 1 . 45 SER HB* . . rr_2kk9 1 285 2 OR . 1 1 45 45 SER HA H . . . 1 1 45 45 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 45 SER HA . . A . 45 SER HB3 . 1 . 45 SER HA . . . 1 . 45 SER HB* . . rr_2kk9 1 286 1 . . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 46 ARG H . . A . 46 ARG HB2 . 1 . 46 ARG HN . . . 1 . 46 ARG HBR . . rr_2kk9 1 287 1 . . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 46 ARG H . . A . 46 ARG HB3 . 1 . 46 ARG HN . . . 1 . 46 ARG HBS . . rr_2kk9 1 288 1 OR . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 46 ARG H . . A . 46 ARG HG2 . 1 . 46 ARG HN . . . 1 . 46 ARG HG* . . rr_2kk9 1 288 2 OR . 1 1 46 46 ARG H H . . . 1 1 46 46 ARG HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 46 ARG H . . A . 46 ARG HG3 . 1 . 46 ARG HN . . . 1 . 46 ARG HG* . . rr_2kk9 1 289 1 . . 1 1 46 46 ARG HA H . . . 1 1 46 46 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 46 ARG HA . . A . 46 ARG HB2 . 1 . 46 ARG HA . . . 1 . 46 ARG HBR . . rr_2kk9 1 290 1 . . 1 1 46 46 ARG HA H . . . 1 1 46 46 ARG HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 46 ARG HA . . A . 46 ARG HB3 . 1 . 46 ARG HA . . . 1 . 46 ARG HBS . . rr_2kk9 1 291 1 OR . 1 1 46 46 ARG HA H . . . 1 1 46 46 ARG HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 46 ARG HA . . A . 46 ARG HG2 . 1 . 46 ARG HA . . . 1 . 46 ARG HG* . . rr_2kk9 1 291 2 OR . 1 1 46 46 ARG HA H . . . 1 1 46 46 ARG HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 46 ARG HA . . A . 46 ARG HG3 . 1 . 46 ARG HA . . . 1 . 46 ARG HG* . . rr_2kk9 1 292 1 OR . 1 1 46 46 ARG HA H . . . 1 1 46 46 ARG HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 46 ARG HA . . A . 46 ARG HD2 . 1 . 46 ARG HA . . . 1 . 46 ARG HD* . . rr_2kk9 1 292 2 OR . 1 1 46 46 ARG HA H . . . 1 1 46 46 ARG HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 46 ARG HA . . A . 46 ARG HD3 . 1 . 46 ARG HA . . . 1 . 46 ARG HD* . . rr_2kk9 1 293 1 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 47 GLU H . . A . 47 GLU HB2 . 1 . 47 GLU HN . . . 1 . 47 GLU HB* . . rr_2kk9 1 293 2 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 47 GLU H . . A . 47 GLU HB3 . 1 . 47 GLU HN . . . 1 . 47 GLU HB* . . rr_2kk9 1 294 1 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 47 GLU H . . A . 47 GLU HG2 . 1 . 47 GLU HN . . . 1 . 47 GLU HG* . . rr_2kk9 1 294 2 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 47 GLU H . . A . 47 GLU HG3 . 1 . 47 GLU HN . . . 1 . 47 GLU HG* . . rr_2kk9 1 295 1 OR . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 47 GLU HA . . A . 47 GLU HB2 . 1 . 47 GLU HA . . . 1 . 47 GLU HB* . . rr_2kk9 1 295 2 OR . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 47 GLU HA . . A . 47 GLU HB3 . 1 . 47 GLU HA . . . 1 . 47 GLU HB* . . rr_2kk9 1 296 1 OR . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 47 GLU HA . . A . 47 GLU HG2 . 1 . 47 GLU HA . . . 1 . 47 GLU HG* . . rr_2kk9 1 296 2 OR . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 47 GLU HA . . A . 47 GLU HG3 . 1 . 47 GLU HA . . . 1 . 47 GLU HG* . . rr_2kk9 1 297 1 . . 1 1 48 48 ALA H H . . . 1 1 48 48 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 48 ALA H . . A . 48 ALA MB . 1 . 48 ALA HN . . . 1 . 48 ALA HB* . . rr_2kk9 1 298 1 . . 1 1 48 48 ALA HA H . . . 1 1 48 48 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 48 ALA HA . . A . 48 ALA MB . 1 . 48 ALA HA . . . 1 . 48 ALA HB* . . rr_2kk9 1 299 1 OR . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 49 LYS H . . A . 49 LYS HB2 . 1 . 49 LYS HN . . . 1 . 49 LYS HB* . . rr_2kk9 1 299 2 OR . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 49 LYS H . . A . 49 LYS HB3 . 1 . 49 LYS HN . . . 1 . 49 LYS HB* . . rr_2kk9 1 300 1 . . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 49 LYS H . . A . 49 LYS HG2 . 1 . 49 LYS HN . . . 1 . 49 LYS HGR . . rr_2kk9 1 301 1 . . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 49 LYS H . . A . 49 LYS HG3 . 1 . 49 LYS HN . . . 1 . 49 LYS HGS . . rr_2kk9 1 302 1 OR . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 49 LYS HA . . A . 49 LYS HB2 . 1 . 49 LYS HA . . . 1 . 49 LYS HB* . . rr_2kk9 1 302 2 OR . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 49 LYS HA . . A . 49 LYS HB3 . 1 . 49 LYS HA . . . 1 . 49 LYS HB* . . rr_2kk9 1 303 1 . . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 49 LYS HA . . A . 49 LYS HG2 . 1 . 49 LYS HA . . . 1 . 49 LYS HGR . . rr_2kk9 1 304 1 . . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 49 LYS HA . . A . 49 LYS HG3 . 1 . 49 LYS HA . . . 1 . 49 LYS HGS . . rr_2kk9 1 305 1 OR . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HE2 H . . . . . 3.5 2.8 4.5 . . . . . A . 49 LYS HA . . A . 49 LYS HE2 . 1 . 49 LYS HA . . . 1 . 49 LYS HE* . . rr_2kk9 1 305 2 OR . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HE3 H . . . . . 3.5 2.8 4.5 . . . . . A . 49 LYS HA . . A . 49 LYS HE3 . 1 . 49 LYS HA . . . 1 . 49 LYS HE* . . rr_2kk9 1 306 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 50 LYS H . . A . 50 LYS HB2 . 1 . 50 LYS HN . . . 1 . 50 LYS HBR . . rr_2kk9 1 307 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 50 LYS H . . A . 50 LYS HB3 . 1 . 50 LYS HN . . . 1 . 50 LYS HBS . . rr_2kk9 1 308 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 50 LYS H . . A . 50 LYS HG2 . 1 . 50 LYS HN . . . 1 . 50 LYS HGR . . rr_2kk9 1 309 1 . . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 50 LYS H . . A . 50 LYS HG3 . 1 . 50 LYS HN . . . 1 . 50 LYS HGS . . rr_2kk9 1 310 1 . . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 50 LYS HA . . A . 50 LYS HB2 . 1 . 50 LYS HA . . . 1 . 50 LYS HBR . . rr_2kk9 1 311 1 . . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 50 LYS HA . . A . 50 LYS HB3 . 1 . 50 LYS HA . . . 1 . 50 LYS HBS . . rr_2kk9 1 312 1 . . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 50 LYS HA . . A . 50 LYS HG2 . 1 . 50 LYS HA . . . 1 . 50 LYS HGR . . rr_2kk9 1 313 1 . . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 50 LYS HA . . A . 50 LYS HG3 . 1 . 50 LYS HA . . . 1 . 50 LYS HGS . . rr_2kk9 1 314 1 OR . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS HE2 H . . . . . 3.5 2.8 4.5 . . . . . A . 50 LYS HA . . A . 50 LYS HE2 . 1 . 50 LYS HA . . . 1 . 50 LYS HE* . . rr_2kk9 1 314 2 OR . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS HE3 H . . . . . 3.5 2.8 4.5 . . . . . A . 50 LYS HA . . A . 50 LYS HE3 . 1 . 50 LYS HA . . . 1 . 50 LYS HE* . . rr_2kk9 1 315 1 OR . 1 1 51 51 GLN H H . . . 1 1 51 51 GLN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 51 GLN H . . A . 51 GLN HB2 . 1 . 51 GLN HN . . . 1 . 51 GLN HB* . . rr_2kk9 1 315 2 OR . 1 1 51 51 GLN H H . . . 1 1 51 51 GLN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 51 GLN H . . A . 51 GLN HB3 . 1 . 51 GLN HN . . . 1 . 51 GLN HB* . . rr_2kk9 1 316 1 OR . 1 1 51 51 GLN H H . . . 1 1 51 51 GLN HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 51 GLN H . . A . 51 GLN HG2 . 1 . 51 GLN HN . . . 1 . 51 GLN HG* . . rr_2kk9 1 316 2 OR . 1 1 51 51 GLN H H . . . 1 1 51 51 GLN HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 51 GLN H . . A . 51 GLN HG3 . 1 . 51 GLN HN . . . 1 . 51 GLN HG* . . rr_2kk9 1 317 1 OR . 1 1 51 51 GLN HA H . . . 1 1 51 51 GLN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 51 GLN HA . . A . 51 GLN HB2 . 1 . 51 GLN HA . . . 1 . 51 GLN HB* . . rr_2kk9 1 317 2 OR . 1 1 51 51 GLN HA H . . . 1 1 51 51 GLN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 51 GLN HA . . A . 51 GLN HB3 . 1 . 51 GLN HA . . . 1 . 51 GLN HB* . . rr_2kk9 1 318 1 OR . 1 1 51 51 GLN HA H . . . 1 1 51 51 GLN HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 51 GLN HA . . A . 51 GLN HG2 . 1 . 51 GLN HA . . . 1 . 51 GLN HG* . . rr_2kk9 1 318 2 OR . 1 1 51 51 GLN HA H . . . 1 1 51 51 GLN HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 51 GLN HA . . A . 51 GLN HG3 . 1 . 51 GLN HA . . . 1 . 51 GLN HG* . . rr_2kk9 1 319 1 . . 1 1 52 52 VAL H H . . . 1 1 52 52 VAL HB H . . . . . 3.5 2.8 3.5 . . . . . A . 52 VAL H . . A . 52 VAL HB . 1 . 52 VAL HN . . . 1 . 52 VAL HB . . rr_2kk9 1 320 1 . . 1 1 52 52 VAL H H . . . 1 1 52 52 VAL MG1 H . . . . . 3.5 2.8 4.5 . . . . . A . 52 VAL H . . A . 52 VAL MG1 . 1 . 52 VAL HN . . . 1 . 52 VAL HGR* . . rr_2kk9 1 321 1 . . 1 1 52 52 VAL H H . . . 1 1 52 52 VAL MG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 52 VAL H . . A . 52 VAL MG2 . 1 . 52 VAL HN . . . 1 . 52 VAL HGS* . . rr_2kk9 1 322 1 . . 1 1 52 52 VAL HA H . . . 1 1 52 52 VAL HB H . . . . . 3.5 2.8 3.5 . . . . . A . 52 VAL HA . . A . 52 VAL HB . 1 . 52 VAL HA . . . 1 . 52 VAL HB . . rr_2kk9 1 323 1 . . 1 1 52 52 VAL HA H . . . 1 1 52 52 VAL MG1 H . . . . . 3.5 2.8 4.5 . . . . . A . 52 VAL HA . . A . 52 VAL MG1 . 1 . 52 VAL HA . . . 1 . 52 VAL HGR* . . rr_2kk9 1 324 1 . . 1 1 52 52 VAL HA H . . . 1 1 52 52 VAL MG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 52 VAL HA . . A . 52 VAL MG2 . 1 . 52 VAL HA . . . 1 . 52 VAL HGS* . . rr_2kk9 1 325 1 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 53 GLU H . . A . 53 GLU HB2 . 1 . 53 GLU HN . . . 1 . 53 GLU HB* . . rr_2kk9 1 325 2 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 53 GLU H . . A . 53 GLU HB3 . 1 . 53 GLU HN . . . 1 . 53 GLU HB* . . rr_2kk9 1 326 1 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 53 GLU H . . A . 53 GLU HG2 . 1 . 53 GLU HN . . . 1 . 53 GLU HG* . . rr_2kk9 1 326 2 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 53 GLU H . . A . 53 GLU HG3 . 1 . 53 GLU HN . . . 1 . 53 GLU HG* . . rr_2kk9 1 327 1 OR . 1 1 53 53 GLU HA H . . . 1 1 53 53 GLU HB2 H . . . . . 5.0 3.5 6.0 . . . . . A . 53 GLU HA . . A . 53 GLU HB2 . 1 . 53 GLU HA . . . 1 . 53 GLU HB* . . rr_2kk9 1 327 2 OR . 1 1 53 53 GLU HA H . . . 1 1 53 53 GLU HB3 H . . . . . 5.0 3.5 6.0 . . . . . A . 53 GLU HA . . A . 53 GLU HB3 . 1 . 53 GLU HA . . . 1 . 53 GLU HB* . . rr_2kk9 1 328 1 OR . 1 1 53 53 GLU HA H . . . 1 1 53 53 GLU HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 53 GLU HA . . A . 53 GLU HG2 . 1 . 53 GLU HA . . . 1 . 53 GLU HG* . . rr_2kk9 1 328 2 OR . 1 1 53 53 GLU HA H . . . 1 1 53 53 GLU HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 53 GLU HA . . A . 53 GLU HG3 . 1 . 53 GLU HA . . . 1 . 53 GLU HG* . . rr_2kk9 1 329 1 OR . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 54 LYS H . . A . 54 LYS HB2 . 1 . 54 LYS HN . . . 1 . 54 LYS HB* . . rr_2kk9 1 329 2 OR . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 54 LYS H . . A . 54 LYS HB3 . 1 . 54 LYS HN . . . 1 . 54 LYS HB* . . rr_2kk9 1 330 1 OR . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 54 LYS H . . A . 54 LYS HG2 . 1 . 54 LYS HN . . . 1 . 54 LYS HG* . . rr_2kk9 1 330 2 OR . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 54 LYS H . . A . 54 LYS HG3 . 1 . 54 LYS HN . . . 1 . 54 LYS HG* . . rr_2kk9 1 331 1 OR . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 54 LYS HA . . A . 54 LYS HB2 . 1 . 54 LYS HA . . . 1 . 54 LYS HB* . . rr_2kk9 1 331 2 OR . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 54 LYS HA . . A . 54 LYS HB3 . 1 . 54 LYS HA . . . 1 . 54 LYS HB* . . rr_2kk9 1 332 1 OR . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 54 LYS HA . . A . 54 LYS HG2 . 1 . 54 LYS HA . . . 1 . 54 LYS HG* . . rr_2kk9 1 332 2 OR . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 54 LYS HA . . A . 54 LYS HG3 . 1 . 54 LYS HA . . . 1 . 54 LYS HG* . . rr_2kk9 1 333 1 OR . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS HE2 H . . . . . 3.5 2.8 4.5 . . . . . A . 54 LYS HA . . A . 54 LYS HE2 . 1 . 54 LYS HA . . . 1 . 54 LYS HE* . . rr_2kk9 1 333 2 OR . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS HE3 H . . . . . 3.5 2.8 4.5 . . . . . A . 54 LYS HA . . A . 54 LYS HE3 . 1 . 54 LYS HA . . . 1 . 54 LYS HE* . . rr_2kk9 1 334 1 . . 1 1 55 55 ALA H H . . . 1 1 55 55 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 55 ALA H . . A . 55 ALA MB . 1 . 55 ALA HN . . . 1 . 55 ALA HB* . . rr_2kk9 1 335 1 . . 1 1 55 55 ALA HA H . . . 1 1 55 55 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 55 ALA HA . . A . 55 ALA MB . 1 . 55 ALA HA . . . 1 . 55 ALA HB* . . rr_2kk9 1 336 1 . . 1 1 2 2 GLY H H . . . 1 1 3 3 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 2 GLY H . . A . 3 LEU H . 1 . 2 GLY HN . . . 1 . 3 LEU HN . . rr_2kk9 1 337 1 . . 1 1 3 3 LEU H H . . . 1 1 4 4 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 3 LEU H . . A . 4 ARG H . 1 . 3 LEU HN . . . 1 . 4 ARG HN . . rr_2kk9 1 338 1 . . 1 1 4 4 ARG H H . . . 1 1 5 5 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ARG H . . A . 5 ARG H . 1 . 4 ARG HN . . . 1 . 5 ARG HN . . rr_2kk9 1 339 1 . . 1 1 5 5 ARG H H . . . 1 1 6 6 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 5 ARG H . . A . 6 ASP H . 1 . 5 ARG HN . . . 1 . 6 ASP HN . . rr_2kk9 1 340 1 . . 1 1 7 7 LEU H H . . . 1 1 8 8 ASP H H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LEU H . . A . 8 ASP H . 1 . 7 LEU HN . . . 1 . 8 ASP HN . . rr_2kk9 1 341 1 . . 1 1 8 8 ASP H H . . . 1 1 9 9 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 8 ASP H . . A . 9 ALA H . 1 . 8 ASP HN . . . 1 . 9 ALA HN . . rr_2kk9 1 342 1 . . 1 1 9 9 ALA H H . . . 1 1 10 10 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 9 ALA H . . A . 10 SER H . 1 . 9 ALA HN . . . 1 . 10 SER HN . . rr_2kk9 1 343 1 . . 1 1 10 10 SER H H . . . 1 1 11 11 ARG H H . . . . . 5.0 3.5 5.0 . . . . . A . 10 SER H . . A . 11 ARG H . 1 . 10 SER HN . . . 1 . 11 ARG HN . . rr_2kk9 1 344 1 . . 1 1 11 11 ARG H H . . . 1 1 12 12 GLU H H . . . . . 2.8 1.8 2.8 . . . . . A . 11 ARG H . . A . 12 GLU H . 1 . 11 ARG HN . . . 1 . 12 GLU HN . . rr_2kk9 1 345 1 . . 1 1 12 12 GLU H H . . . 1 1 13 13 ALA H H . . . . . 2.8 1.8 2.8 . . . . . A . 12 GLU H . . A . 13 ALA H . 1 . 12 GLU HN . . . 1 . 13 ALA HN . . rr_2kk9 1 346 1 . . 1 1 13 13 ALA H H . . . 1 1 14 14 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 13 ALA H . . A . 14 LYS H . 1 . 13 ALA HN . . . 1 . 14 LYS HN . . rr_2kk9 1 347 1 . . 1 1 14 14 LYS H H . . . 1 1 15 15 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 14 LYS H . . A . 15 LYS H . 1 . 14 LYS HN . . . 1 . 15 LYS HN . . rr_2kk9 1 348 1 . . 1 1 15 15 LYS H H . . . 1 1 16 16 GLN H H . . . . . 2.8 1.8 2.8 . . . . . A . 15 LYS H . . A . 16 GLN H . 1 . 15 LYS HN . . . 1 . 16 GLN HN . . rr_2kk9 1 349 1 . . 1 1 16 16 GLN H H . . . 1 1 17 17 LEU H H . . . . . 2.8 1.8 2.8 . . . . . A . 16 GLN H . . A . 17 LEU H . 1 . 16 GLN HN . . . 1 . 17 LEU HN . . rr_2kk9 1 350 1 . . 1 1 17 17 LEU H H . . . 1 1 18 18 GLU H H . . . . . 2.8 1.8 2.8 . . . . . A . 17 LEU H . . A . 18 GLU H . 1 . 17 LEU HN . . . 1 . 18 GLU HN . . rr_2kk9 1 351 1 . . 1 1 19 19 ALA H H . . . 1 1 20 20 GLU H H . . . . . 2.8 1.8 2.8 . . . . . A . 19 ALA H . . A . 20 GLU H . 1 . 19 ALA HN . . . 1 . 20 GLU HN . . rr_2kk9 1 352 1 . . 1 1 20 20 GLU H H . . . 1 1 21 21 GLN H H . . . . . 2.8 1.8 2.8 . . . . . A . 20 GLU H . . A . 21 GLN H . 1 . 20 GLU HN . . . 1 . 21 GLN HN . . rr_2kk9 1 353 1 . . 1 1 21 21 GLN H H . . . 1 1 22 22 GLN H H . . . . . 2.8 1.8 2.8 . . . . . A . 21 GLN H . . A . 22 GLN H . 1 . 21 GLN HN . . . 1 . 22 GLN HN . . rr_2kk9 1 354 1 . . 1 1 22 22 GLN H H . . . 1 1 23 23 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 22 GLN H . . A . 23 LYS H . 1 . 22 GLN HN . . . 1 . 23 LYS HN . . rr_2kk9 1 355 1 . . 1 1 23 23 LYS H H . . . 1 1 24 24 LEU H H . . . . . 2.8 1.8 2.8 . . . . . A . 23 LYS H . . A . 24 LEU H . 1 . 23 LYS HN . . . 1 . 24 LEU HN . . rr_2kk9 1 356 1 . . 1 1 24 24 LEU H H . . . 1 1 25 25 GLU H H . . . . . 2.8 1.8 2.8 . . . . . A . 24 LEU H . . A . 25 GLU H . 1 . 24 LEU HN . . . 1 . 25 GLU HN . . rr_2kk9 1 357 1 . . 1 1 25 25 GLU H H . . . 1 1 26 26 GLU H H . . . . . 2.8 1.8 2.8 . . . . . A . 25 GLU H . . A . 26 GLU H . 1 . 25 GLU HN . . . 1 . 26 GLU HN . . rr_2kk9 1 358 1 . . 1 1 26 26 GLU H H . . . 1 1 27 27 GLN H H . . . . . 2.8 1.8 2.8 . . . . . A . 26 GLU H . . A . 27 GLN H . 1 . 26 GLU HN . . . 1 . 27 GLN HN . . rr_2kk9 1 359 1 . . 1 1 27 27 GLN H H . . . 1 1 28 28 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 27 GLN H . . A . 28 ASN H . 1 . 27 GLN HN . . . 1 . 28 ASN HN . . rr_2kk9 1 360 1 . . 1 1 28 28 ASN H H . . . 1 1 29 29 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 28 ASN H . . A . 29 LYS H . 1 . 28 ASN HN . . . 1 . 29 LYS HN . . rr_2kk9 1 361 1 . . 1 1 29 29 LYS H H . . . 1 1 30 30 ILE H H . . . . . 2.8 1.8 2.8 . . . . . A . 29 LYS H . . A . 30 ILE H . 1 . 29 LYS HN . . . 1 . 30 ILE HN . . rr_2kk9 1 362 1 . . 1 1 30 30 ILE H H . . . 1 1 31 31 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 30 ILE H . . A . 31 SER H . 1 . 30 ILE HN . . . 1 . 31 SER HN . . rr_2kk9 1 363 1 . . 1 1 31 31 SER H H . . . 1 1 32 32 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 31 SER H . . A . 32 GLU H . 1 . 31 SER HN . . . 1 . 32 GLU HN . . rr_2kk9 1 364 1 . . 1 1 32 32 GLU H H . . . 1 1 33 33 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 32 GLU H . . A . 33 ALA H . 1 . 32 GLU HN . . . 1 . 33 ALA HN . . rr_2kk9 1 365 1 . . 1 1 33 33 ALA H H . . . 1 1 34 34 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 33 ALA H . . A . 34 SER H . 1 . 33 ALA HN . . . 1 . 34 SER HN . . rr_2kk9 1 366 1 . . 1 1 34 34 SER H H . . . 1 1 35 35 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 34 SER H . . A . 35 ARG H . 1 . 34 SER HN . . . 1 . 35 ARG HN . . rr_2kk9 1 367 1 . . 1 1 35 35 ARG H H . . . 1 1 36 36 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 35 ARG H . . A . 36 LYS H . 1 . 35 ARG HN . . . 1 . 36 LYS HN . . rr_2kk9 1 368 1 . . 1 1 36 36 LYS H H . . . 1 1 37 37 GLY H H . . . . . 3.5 2.8 3.5 . . . . . A . 36 LYS H . . A . 37 GLY H . 1 . 36 LYS HN . . . 1 . 37 GLY HN . . rr_2kk9 1 369 1 . . 1 1 37 37 GLY H H . . . 1 1 38 38 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 37 GLY H . . A . 38 LEU H . 1 . 37 GLY HN . . . 1 . 38 LEU HN . . rr_2kk9 1 370 1 . . 1 1 38 38 LEU H H . . . 1 1 39 39 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 38 LEU H . . A . 39 ARG H . 1 . 38 LEU HN . . . 1 . 39 ARG HN . . rr_2kk9 1 371 1 . . 1 1 39 39 ARG H H . . . 1 1 40 40 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 39 ARG H . . A . 40 ARG H . 1 . 39 ARG HN . . . 1 . 40 ARG HN . . rr_2kk9 1 372 1 . . 1 1 40 40 ARG H H . . . 1 1 41 41 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 40 ARG H . . A . 41 ASP H . 1 . 40 ARG HN . . . 1 . 41 ASP HN . . rr_2kk9 1 373 1 . . 1 1 41 41 ASP H H . . . 1 1 42 42 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 41 ASP H . . A . 42 LEU H . 1 . 41 ASP HN . . . 1 . 42 LEU HN . . rr_2kk9 1 374 1 . . 1 1 43 43 ASP H H . . . 1 1 44 44 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 43 ASP H . . A . 44 ALA H . 1 . 43 ASP HN . . . 1 . 44 ALA HN . . rr_2kk9 1 375 1 . . 1 1 44 44 ALA H H . . . 1 1 45 45 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 44 ALA H . . A . 45 SER H . 1 . 44 ALA HN . . . 1 . 45 SER HN . . rr_2kk9 1 376 1 . . 1 1 45 45 SER H H . . . 1 1 46 46 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 45 SER H . . A . 46 ARG H . 1 . 45 SER HN . . . 1 . 46 ARG HN . . rr_2kk9 1 377 1 . . 1 1 46 46 ARG H H . . . 1 1 47 47 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 46 ARG H . . A . 47 GLU H . 1 . 46 ARG HN . . . 1 . 47 GLU HN . . rr_2kk9 1 378 1 . . 1 1 47 47 GLU H H . . . 1 1 48 48 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 47 GLU H . . A . 48 ALA H . 1 . 47 GLU HN . . . 1 . 48 ALA HN . . rr_2kk9 1 379 1 . . 1 1 48 48 ALA H H . . . 1 1 49 49 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 48 ALA H . . A . 49 LYS H . 1 . 48 ALA HN . . . 1 . 49 LYS HN . . rr_2kk9 1 380 1 . . 1 1 49 49 LYS H H . . . 1 1 50 50 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 49 LYS H . . A . 50 LYS H . 1 . 49 LYS HN . . . 1 . 50 LYS HN . . rr_2kk9 1 381 1 . . 1 1 50 50 LYS H H . . . 1 1 51 51 GLN H H . . . . . 3.5 2.8 3.5 . . . . . A . 50 LYS H . . A . 51 GLN H . 1 . 50 LYS HN . . . 1 . 51 GLN HN . . rr_2kk9 1 382 1 . . 1 1 51 51 GLN H H . . . 1 1 52 52 VAL H H . . . . . 3.5 2.8 3.5 . . . . . A . 51 GLN H . . A . 52 VAL H . 1 . 51 GLN HN . . . 1 . 52 VAL HN . . rr_2kk9 1 383 1 . . 1 1 52 52 VAL H H . . . 1 1 53 53 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 52 VAL H . . A . 53 GLU H . 1 . 52 VAL HN . . . 1 . 53 GLU HN . . rr_2kk9 1 384 1 . . 1 1 53 53 GLU H H . . . 1 1 54 54 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 53 GLU H . . A . 54 LYS H . 1 . 53 GLU HN . . . 1 . 54 LYS HN . . rr_2kk9 1 385 1 . . 1 1 54 54 LYS H H . . . 1 1 55 55 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 54 LYS H . . A . 55 ALA H . 1 . 54 LYS HN . . . 1 . 55 ALA HN . . rr_2kk9 1 386 1 . . 1 1 11 11 ARG H H . . . 1 1 13 13 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ARG H . . A . 13 ALA H . 1 . 11 ARG HN . . . 1 . 13 ALA HN . . rr_2kk9 1 387 1 . . 1 1 12 12 GLU HA H . . . 1 1 14 14 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 12 GLU HA . . A . 14 LYS H . 1 . 12 GLU HA . . . 1 . 14 LYS HN . . rr_2kk9 1 388 1 . . 1 1 13 13 ALA HA H . . . 1 1 15 15 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 13 ALA HA . . A . 15 LYS H . 1 . 13 ALA HA . . . 1 . 15 LYS HN . . rr_2kk9 1 389 1 . . 1 1 14 14 LYS HA H . . . 1 1 16 16 GLN H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 LYS HA . . A . 16 GLN H . 1 . 14 LYS HA . . . 1 . 16 GLN HN . . rr_2kk9 1 390 1 . . 1 1 16 16 GLN HA H . . . 1 1 18 18 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 16 GLN HA . . A . 18 GLU H . 1 . 16 GLN HA . . . 1 . 18 GLU HN . . rr_2kk9 1 391 1 . . 1 1 17 17 LEU HA H . . . 1 1 19 19 ALA H H . . . . . 5.0 3.5 5.0 . . . . . A . 17 LEU HA . . A . 19 ALA H . 1 . 17 LEU HA . . . 1 . 19 ALA HN . . rr_2kk9 1 392 1 . . 1 1 18 18 GLU HA H . . . 1 1 20 20 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 18 GLU HA . . A . 20 GLU H . 1 . 18 GLU HA . . . 1 . 20 GLU HN . . rr_2kk9 1 393 1 . . 1 1 20 20 GLU HA H . . . 1 1 22 22 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 20 GLU HA . . A . 22 GLN H . 1 . 20 GLU HA . . . 1 . 22 GLN HN . . rr_2kk9 1 394 1 . . 1 1 24 24 LEU H H . . . 1 1 22 22 GLN HA H . . . . . 5.0 3.5 5.0 . . . . . A . 24 LEU H . . A . 22 GLN HA . 1 . 24 LEU HN . . . 1 . 22 GLN HA . . rr_2kk9 1 395 1 . . 1 1 23 23 LYS HA H . . . 1 1 25 25 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 23 LYS HA . . A . 25 GLU H . 1 . 23 LYS HA . . . 1 . 25 GLU HN . . rr_2kk9 1 396 1 . . 1 1 25 25 GLU HA H . . . 1 1 27 27 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 25 GLU HA . . A . 27 GLN H . 1 . 25 GLU HA . . . 1 . 27 GLN HN . . rr_2kk9 1 397 1 . . 1 1 26 26 GLU HA H . . . 1 1 28 28 ASN H H . . . . . 5.0 3.5 5.0 . . . . . A . 26 GLU HA . . A . 28 ASN H . 1 . 26 GLU HA . . . 1 . 28 ASN HN . . rr_2kk9 1 398 1 . . 1 1 29 29 LYS HA H . . . 1 1 31 31 SER H H . . . . . 5.0 3.5 5.0 . . . . . A . 29 LYS HA . . A . 31 SER H . 1 . 29 LYS HA . . . 1 . 31 SER HN . . rr_2kk9 1 399 1 . . 1 1 46 46 ARG HA H . . . 1 1 48 48 ALA H H . . . . . 5.0 3.5 5.0 . . . . . A . 46 ARG HA . . A . 48 ALA H . 1 . 46 ARG HA . . . 1 . 48 ALA HN . . rr_2kk9 1 400 1 . . 1 1 47 47 GLU HA H . . . 1 1 49 49 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 47 GLU HA . . A . 49 LYS H . 1 . 47 GLU HA . . . 1 . 49 LYS HN . . rr_2kk9 1 401 1 . . 1 1 48 48 ALA HA H . . . 1 1 50 50 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 48 ALA HA . . A . 50 LYS H . 1 . 48 ALA HA . . . 1 . 50 LYS HN . . rr_2kk9 1 402 1 . . 1 1 4 4 ARG HA H . . . 1 1 7 7 LEU H H . . . . . 5.0 3.5 5.0 . . . . . A . 4 ARG HA . . A . 7 LEU H . 1 . 4 ARG HA . . . 1 . 7 LEU HN . . rr_2kk9 1 403 1 . . 1 1 5 5 ARG HA H . . . 1 1 8 8 ASP H H . . . . . 5.0 3.5 5.0 . . . . . A . 5 ARG HA . . A . 8 ASP H . 1 . 5 ARG HA . . . 1 . 8 ASP HN . . rr_2kk9 1 404 1 . . 1 1 10 10 SER HA H . . . 1 1 13 13 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 10 SER HA . . A . 13 ALA H . 1 . 10 SER HA . . . 1 . 13 ALA HN . . rr_2kk9 1 405 1 . . 1 1 11 11 ARG HA H . . . 1 1 14 14 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 11 ARG HA . . A . 14 LYS H . 1 . 11 ARG HA . . . 1 . 14 LYS HN . . rr_2kk9 1 406 1 . . 1 1 12 12 GLU HA H . . . 1 1 15 15 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 12 GLU HA . . A . 15 LYS H . 1 . 12 GLU HA . . . 1 . 15 LYS HN . . rr_2kk9 1 407 1 . . 1 1 14 14 LYS HA H . . . 1 1 17 17 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 LYS HA . . A . 17 LEU H . 1 . 14 LYS HA . . . 1 . 17 LEU HN . . rr_2kk9 1 408 1 . . 1 1 15 15 LYS HA H . . . 1 1 18 18 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 15 LYS HA . . A . 18 GLU H . 1 . 15 LYS HA . . . 1 . 18 GLU HN . . rr_2kk9 1 409 1 . . 1 1 16 16 GLN HA H . . . 1 1 19 19 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 16 GLN HA . . A . 19 ALA H . 1 . 16 GLN HA . . . 1 . 19 ALA HN . . rr_2kk9 1 410 1 . . 1 1 17 17 LEU HA H . . . 1 1 20 20 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 17 LEU HA . . A . 20 GLU H . 1 . 17 LEU HA . . . 1 . 20 GLU HN . . rr_2kk9 1 411 1 . . 1 1 18 18 GLU HA H . . . 1 1 21 21 GLN H H . . . . . 3.5 2.8 3.5 . . . . . A . 18 GLU HA . . A . 21 GLN H . 1 . 18 GLU HA . . . 1 . 21 GLN HN . . rr_2kk9 1 412 1 . . 1 1 19 19 ALA HA H . . . 1 1 22 22 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 19 ALA HA . . A . 22 GLN H . 1 . 19 ALA HA . . . 1 . 22 GLN HN . . rr_2kk9 1 413 1 . . 1 1 20 20 GLU HA H . . . 1 1 23 23 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 20 GLU HA . . A . 23 LYS H . 1 . 20 GLU HA . . . 1 . 23 LYS HN . . rr_2kk9 1 414 1 . . 1 1 25 25 GLU H H . . . 1 1 22 22 GLN HA H . . . . . 3.5 2.8 3.5 . . . . . A . 25 GLU H . . A . 22 GLN HA . 1 . 25 GLU HN . . . 1 . 22 GLN HA . . rr_2kk9 1 415 1 . . 1 1 23 23 LYS HA H . . . 1 1 26 26 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 23 LYS HA . . A . 26 GLU H . 1 . 23 LYS HA . . . 1 . 26 GLU HN . . rr_2kk9 1 416 1 . . 1 1 24 24 LEU HA H . . . 1 1 27 27 GLN H H . . . . . 3.5 2.8 3.5 . . . . . A . 24 LEU HA . . A . 27 GLN H . 1 . 24 LEU HA . . . 1 . 27 GLN HN . . rr_2kk9 1 417 1 . . 1 1 25 25 GLU HA H . . . 1 1 28 28 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 25 GLU HA . . A . 28 ASN H . 1 . 25 GLU HA . . . 1 . 28 ASN HN . . rr_2kk9 1 418 1 . . 1 1 26 26 GLU HA H . . . 1 1 29 29 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 26 GLU HA . . A . 29 LYS H . 1 . 26 GLU HA . . . 1 . 29 LYS HN . . rr_2kk9 1 419 1 . . 1 1 27 27 GLN HA H . . . 1 1 30 30 ILE H H . . . . . 5.0 3.5 5.0 . . . . . A . 27 GLN HA . . A . 30 ILE H . 1 . 27 GLN HA . . . 1 . 30 ILE HN . . rr_2kk9 1 420 1 . . 1 1 30 30 ILE HA H . . . 1 1 33 33 ALA H H . . . . . 5.0 3.5 5.0 . . . . . A . 30 ILE HA . . A . 33 ALA H . 1 . 30 ILE HA . . . 1 . 33 ALA HN . . rr_2kk9 1 421 1 . . 1 1 46 46 ARG HA H . . . 1 1 49 49 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 46 ARG HA . . A . 49 LYS H . 1 . 46 ARG HA . . . 1 . 49 LYS HN . . rr_2kk9 1 422 1 . . 1 1 47 47 GLU HA H . . . 1 1 50 50 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 47 GLU HA . . A . 50 LYS H . 1 . 47 GLU HA . . . 1 . 50 LYS HN . . rr_2kk9 1 423 1 . . 1 1 4 4 ARG HA H . . . 1 1 8 8 ASP H H . . . . . 5.0 3.5 5.0 . . . . . A . 4 ARG HA . . A . 8 ASP H . 1 . 4 ARG HA . . . 1 . 8 ASP HN . . rr_2kk9 1 424 1 . . 1 1 5 5 ARG HA H . . . 1 1 9 9 ALA H H . . . . . 5.0 3.5 5.0 . . . . . A . 5 ARG HA . . A . 9 ALA H . 1 . 5 ARG HA . . . 1 . 9 ALA HN . . rr_2kk9 1 425 1 . . 1 1 10 10 SER HA H . . . 1 1 14 14 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 10 SER HA . . A . 14 LYS H . 1 . 10 SER HA . . . 1 . 14 LYS HN . . rr_2kk9 1 426 1 . . 1 1 11 11 ARG HA H . . . 1 1 15 15 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 11 ARG HA . . A . 15 LYS H . 1 . 11 ARG HA . . . 1 . 15 LYS HN . . rr_2kk9 1 427 1 . . 1 1 12 12 GLU HA H . . . 1 1 16 16 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 12 GLU HA . . A . 16 GLN H . 1 . 12 GLU HA . . . 1 . 16 GLN HN . . rr_2kk9 1 428 1 . . 1 1 14 14 LYS HA H . . . 1 1 18 18 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 14 LYS HA . . A . 18 GLU H . 1 . 14 LYS HA . . . 1 . 18 GLU HN . . rr_2kk9 1 429 1 . . 1 1 15 15 LYS HA H . . . 1 1 19 19 ALA H H . . . . . 5.0 3.5 5.0 . . . . . A . 15 LYS HA . . A . 19 ALA H . 1 . 15 LYS HA . . . 1 . 19 ALA HN . . rr_2kk9 1 430 1 . . 1 1 16 16 GLN HA H . . . 1 1 20 20 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 16 GLN HA . . A . 20 GLU H . 1 . 16 GLN HA . . . 1 . 20 GLU HN . . rr_2kk9 1 431 1 . . 1 1 17 17 LEU HA H . . . 1 1 21 21 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 17 LEU HA . . A . 21 GLN H . 1 . 17 LEU HA . . . 1 . 21 GLN HN . . rr_2kk9 1 432 1 . . 1 1 18 18 GLU HA H . . . 1 1 22 22 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 18 GLU HA . . A . 22 GLN H . 1 . 18 GLU HA . . . 1 . 22 GLN HN . . rr_2kk9 1 433 1 . . 1 1 20 20 GLU HA H . . . 1 1 24 24 LEU H H . . . . . 5.0 3.5 5.0 . . . . . A . 20 GLU HA . . A . 24 LEU H . 1 . 20 GLU HA . . . 1 . 24 LEU HN . . rr_2kk9 1 434 1 . . 1 1 26 26 GLU H H . . . 1 1 22 22 GLN HA H . . . . . 5.0 3.5 5.0 . . . . . A . 26 GLU H . . A . 22 GLN HA . 1 . 26 GLU HN . . . 1 . 22 GLN HA . . rr_2kk9 1 435 1 . . 1 1 25 25 GLU HA H . . . 1 1 29 29 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 25 GLU HA . . A . 29 LYS H . 1 . 25 GLU HA . . . 1 . 29 LYS HN . . rr_2kk9 1 436 1 . . 1 1 26 26 GLU HA H . . . 1 1 30 30 ILE H H . . . . . 5.0 3.5 5.0 . . . . . A . 26 GLU HA . . A . 30 ILE H . 1 . 26 GLU HA . . . 1 . 30 ILE HN . . rr_2kk9 1 437 1 . . 1 1 27 27 GLN HA H . . . 1 1 31 31 SER H H . . . . . 5.0 3.5 5.0 . . . . . A . 27 GLN HA . . A . 31 SER H . 1 . 27 GLN HA . . . 1 . 31 SER HN . . rr_2kk9 1 438 1 . . 1 1 29 29 LYS HA H . . . 1 1 33 33 ALA H H . . . . . 5.0 3.5 5.0 . . . . . A . 29 LYS HA . . A . 33 ALA H . 1 . 29 LYS HA . . . 1 . 33 ALA HN . . rr_2kk9 1 439 1 . . 1 1 45 45 SER HA H . . . 1 1 49 49 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 45 SER HA . . A . 49 LYS H . 1 . 45 SER HA . . . 1 . 49 LYS HN . . rr_2kk9 1 440 1 . . 1 1 46 46 ARG HA H . . . 1 1 50 50 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 46 ARG HA . . A . 50 LYS H . 1 . 46 ARG HA . . . 1 . 50 LYS HN . . rr_2kk9 1 441 1 . . 1 1 47 47 GLU HA H . . . 1 1 51 51 GLN H H . . . . . 5.0 3.5 5.0 . . . . . A . 47 GLU HA . . A . 51 GLN H . 1 . 47 GLU HA . . . 1 . 51 GLN HN . . rr_2kk9 1 442 1 . . 1 1 10 10 SER HA H . . . 1 1 13 13 ALA MB H . . . . . 3.5 2.8 4.5 . . . . . A . 10 SER HA . . A . 13 ALA MB . 1 . 10 SER HA . . . 1 . 13 ALA HB* . . rr_2kk9 1 443 1 OR . 1 1 11 11 ARG HA H . . . 1 1 14 14 LYS HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 11 ARG HA . . A . 14 LYS HB2 . 1 . 11 ARG HA . . . 1 . 14 LYS HB* . . rr_2kk9 1 443 2 OR . 1 1 11 11 ARG HA H . . . 1 1 14 14 LYS HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 11 ARG HA . . A . 14 LYS HB3 . 1 . 11 ARG HA . . . 1 . 14 LYS HB* . . rr_2kk9 1 444 1 OR . 1 1 14 14 LYS HA H . . . 1 1 17 17 LEU HB2 H . . . . . 5.0 3.5 6.0 . . . . . A . 14 LYS HA . . A . 17 LEU HB2 . 1 . 14 LYS HA . . . 1 . 17 LEU HB* . . rr_2kk9 1 444 2 OR . 1 1 14 14 LYS HA H . . . 1 1 17 17 LEU HB3 H . . . . . 5.0 3.5 6.0 . . . . . A . 14 LYS HA . . A . 17 LEU HB3 . 1 . 14 LYS HA . . . 1 . 17 LEU HB* . . rr_2kk9 1 445 1 OR . 1 1 15 15 LYS HA H . . . 1 1 18 18 GLU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 15 LYS HA . . A . 18 GLU HB2 . 1 . 15 LYS HA . . . 1 . 18 GLU HB* . . rr_2kk9 1 445 2 OR . 1 1 15 15 LYS HA H . . . 1 1 18 18 GLU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 15 LYS HA . . A . 18 GLU HB3 . 1 . 15 LYS HA . . . 1 . 18 GLU HB* . . rr_2kk9 1 446 1 OR . 1 1 17 17 LEU HA H . . . 1 1 20 20 GLU HB2 H . . . . . 5.0 3.5 6.0 . . . . . A . 17 LEU HA . . A . 20 GLU HB2 . 1 . 17 LEU HA . . . 1 . 20 GLU HB* . . rr_2kk9 1 446 2 OR . 1 1 17 17 LEU HA H . . . 1 1 20 20 GLU HB3 H . . . . . 5.0 3.5 6.0 . . . . . A . 17 LEU HA . . A . 20 GLU HB3 . 1 . 17 LEU HA . . . 1 . 20 GLU HB* . . rr_2kk9 1 447 1 OR . 1 1 20 20 GLU HA H . . . 1 1 23 23 LYS HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 20 GLU HA . . A . 23 LYS HB2 . 1 . 20 GLU HA . . . 1 . 23 LYS HB* . . rr_2kk9 1 447 2 OR . 1 1 20 20 GLU HA H . . . 1 1 23 23 LYS HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 20 GLU HA . . A . 23 LYS HB3 . 1 . 20 GLU HA . . . 1 . 23 LYS HB* . . rr_2kk9 1 448 1 OR . 1 1 22 22 GLN HA H . . . 1 1 25 25 GLU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 22 GLN HA . . A . 25 GLU HB2 . 1 . 22 GLN HA . . . 1 . 25 GLU HB* . . rr_2kk9 1 448 2 OR . 1 1 22 22 GLN HA H . . . 1 1 25 25 GLU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 22 GLN HA . . A . 25 GLU HB3 . 1 . 22 GLN HA . . . 1 . 25 GLU HB* . . rr_2kk9 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 NOE_distance 1 1 1 13 rr_2kk9 1 2 strong: 2 87 2 94 rr_2kk9 1 3 strong: 3 87 3 94 rr_2kk9 1 4 medium: 4 87 4 94 rr_2kk9 1 5 medium: 5 87 5 94 rr_2kk9 1 6 medium: 6 87 6 94 rr_2kk9 1 7 strong: 7 87 7 94 rr_2kk9 1 8 medium: 8 87 8 94 rr_2kk9 1 9 medium: 9 87 9 94 rr_2kk9 1 10 strong: 10 87 10 94 rr_2kk9 1 11 medium: 11 87 11 94 rr_2kk9 1 12 medium: 12 87 12 94 rr_2kk9 1 13 strong: 13 87 13 94 rr_2kk9 1 14 medium: 14 87 14 94 rr_2kk9 1 15 medium: 15 87 15 94 rr_2kk9 1 16 medium: 16 87 16 94 rr_2kk9 1 17 medium: 17 87 17 94 rr_2kk9 1 18 medium: 18 87 18 94 rr_2kk9 1 19 medium: 19 87 19 94 rr_2kk9 1 20 medium: 20 87 20 94 rr_2kk9 1 21 medium: 21 87 21 94 rr_2kk9 1 22 medium: 22 87 22 94 rr_2kk9 1 23 medium: 23 87 23 94 rr_2kk9 1 24 medium: 24 87 24 94 rr_2kk9 1 25 medium: 25 87 25 94 rr_2kk9 1 26 medium: 26 87 26 94 rr_2kk9 1 27 strong: 27 87 27 94 rr_2kk9 1 28 medium: 28 87 28 94 rr_2kk9 1 29 medium: 29 87 29 94 rr_2kk9 1 30 medium: 30 87 30 94 rr_2kk9 1 31 strong: 31 87 31 94 rr_2kk9 1 32 strong: 32 87 32 94 rr_2kk9 1 33 strong: 33 87 33 94 rr_2kk9 1 34 strong: 34 87 34 94 rr_2kk9 1 35 medium: 35 87 35 94 rr_2kk9 1 36 strong: 36 87 36 94 rr_2kk9 1 37 medium: 37 87 37 94 rr_2kk9 1 38 medium: 38 87 38 94 rr_2kk9 1 39 medium: 39 87 39 94 rr_2kk9 1 40 medium: 40 87 40 94 rr_2kk9 1 41 medium: 41 87 41 94 rr_2kk9 1 42 medium: 42 87 42 94 rr_2kk9 1 43 strong: 43 87 43 94 rr_2kk9 1 44 medium: 44 87 44 94 rr_2kk9 1 45 medium: 45 87 45 94 rr_2kk9 1 46 medium: 46 87 46 94 rr_2kk9 1 47 medium: 47 87 47 94 rr_2kk9 1 48 strong: 48 87 48 94 rr_2kk9 1 49 medium: 49 87 49 94 rr_2kk9 1 50 strong: 50 87 50 94 rr_2kk9 1 51 medium: 51 87 51 94 rr_2kk9 1 52 medium: 52 87 52 94 rr_2kk9 1 53 medium: 53 87 53 94 rr_2kk9 1 54 medium: 54 87 54 94 rr_2kk9 1 55 medium: 55 87 55 94 rr_2kk9 1 56 strong: 56 87 56 94 rr_2kk9 1 57 medium: 57 87 57 94 rr_2kk9 1 58 medium: 58 87 58 94 rr_2kk9 1 59 strong: 59 87 59 94 rr_2kk9 1 60 strong: 60 87 60 94 rr_2kk9 1 61 strong: 61 87 61 94 rr_2kk9 1 62 medium: 62 87 62 94 rr_2kk9 1 63 medium 63 87 63 93 rr_2kk9 1 64 weak: 64 87 64 92 rr_2kk9 1 65 medium: 65 87 65 94 rr_2kk9 1 66 strong: 66 87 66 94 rr_2kk9 1 67 medium: 67 87 67 94 rr_2kk9 1 68 medium: 68 87 68 94 rr_2kk9 1 69 medium: 69 87 69 94 rr_2kk9 1 70 medium: 70 87 70 94 rr_2kk9 1 71 medium: 71 87 71 94 rr_2kk9 1 72 medium: 72 87 72 94 rr_2kk9 1 73 medium: 73 87 73 94 rr_2kk9 1 74 weak: 74 87 74 92 rr_2kk9 1 75 medium: 75 87 75 94 rr_2kk9 1 76 weak: 76 87 76 92 rr_2kk9 1 77 medium: 77 87 77 94 rr_2kk9 1 78 medium: 78 87 78 94 rr_2kk9 1 79 medium: 79 87 79 94 rr_2kk9 1 80 medium: 80 87 80 94 rr_2kk9 1 81 medium: 81 87 81 94 rr_2kk9 1 82 weak: 82 87 82 92 rr_2kk9 1 83 medium: 83 87 83 94 rr_2kk9 1 84 medium: 84 87 84 94 rr_2kk9 1 85 strong: 85 87 85 94 rr_2kk9 1 86 medium: 86 87 86 94 rr_2kk9 1 87 strong: 87 87 87 94 rr_2kk9 1 88 medium: 88 87 88 94 rr_2kk9 1 89 medium: 89 87 89 94 rr_2kk9 1 90 medium: 90 87 90 94 rr_2kk9 1 91 medium: 91 87 91 94 rr_2kk9 1 92 strong: 92 87 92 94 rr_2kk9 1 93 medium: 93 87 93 94 rr_2kk9 1 94 weak: 94 87 94 92 rr_2kk9 1 95 medium: 95 87 95 94 rr_2kk9 1 96 medium: 96 87 96 94 rr_2kk9 1 97 medium: 97 87 97 94 rr_2kk9 1 98 strong: 98 87 98 94 rr_2kk9 1 99 medium: 99 87 99 94 rr_2kk9 1 100 medium: 100 87 100 94 rr_2kk9 1 101 medium: 101 87 101 94 rr_2kk9 1 102 medium: 102 87 102 94 rr_2kk9 1 103 medium: 103 87 103 94 rr_2kk9 1 104 strong: 104 87 104 94 rr_2kk9 1 105 medium: 105 87 105 94 rr_2kk9 1 106 medium: 106 87 106 94 rr_2kk9 1 107 medium: 107 87 107 94 rr_2kk9 1 108 medium: 108 87 108 94 rr_2kk9 1 109 medium: 109 87 109 94 rr_2kk9 1 110 strong: 110 87 110 94 rr_2kk9 1 111 strong: 111 87 111 94 rr_2kk9 1 112 medium: 112 87 112 94 rr_2kk9 1 113 medium: 113 87 113 94 rr_2kk9 1 114 medium: 114 87 114 94 rr_2kk9 1 115 medium: 115 87 115 94 rr_2kk9 1 116 medium: 116 87 116 94 rr_2kk9 1 117 medium: 117 87 117 94 rr_2kk9 1 118 weak: 118 87 118 92 rr_2kk9 1 119 medium: 119 87 119 94 rr_2kk9 1 120 medium: 120 87 120 94 rr_2kk9 1 121 strong: 121 87 121 94 rr_2kk9 1 122 medium: 122 87 122 94 rr_2kk9 1 123 strong: 123 87 123 94 rr_2kk9 1 124 weak: 124 87 124 92 rr_2kk9 1 125 medium: 125 87 125 94 rr_2kk9 1 126 medium: 126 87 126 94 rr_2kk9 1 127 medium: 127 87 127 94 rr_2kk9 1 128 strong: 128 87 128 94 rr_2kk9 1 129 strong: 129 87 129 94 rr_2kk9 1 130 strong: 130 87 130 94 rr_2kk9 1 131 strong: 131 87 131 94 rr_2kk9 1 132 weak: 132 87 132 92 rr_2kk9 1 133 strong: 133 87 133 94 rr_2kk9 1 134 weak: 134 87 134 92 rr_2kk9 1 135 medium: 135 87 135 94 rr_2kk9 1 136 strong: 136 87 136 94 rr_2kk9 1 137 strong: 137 87 137 94 rr_2kk9 1 138 strong: 138 87 138 94 rr_2kk9 1 139 strong: 139 87 139 94 rr_2kk9 1 140 strong: 140 87 140 94 rr_2kk9 1 141 strong: 141 87 141 94 rr_2kk9 1 142 strong: 142 87 142 94 rr_2kk9 1 143 weak: 143 87 143 92 rr_2kk9 1 144 medium: 144 87 144 94 rr_2kk9 1 145 medium: 145 87 145 94 rr_2kk9 1 146 medium: 146 87 146 94 rr_2kk9 1 147 medium: 147 87 147 94 rr_2kk9 1 148 strong: 148 87 148 94 rr_2kk9 1 149 strong: 149 87 149 94 rr_2kk9 1 150 medium: 150 87 150 94 rr_2kk9 1 151 medium: 151 87 151 94 rr_2kk9 1 152 medium: 152 87 152 94 rr_2kk9 1 153 strong: 153 87 153 94 rr_2kk9 1 154 strong: 154 87 154 94 rr_2kk9 1 155 medium: 155 87 155 94 rr_2kk9 1 156 medium: 156 87 156 94 rr_2kk9 1 157 medium: 157 87 157 94 rr_2kk9 1 158 strong: 158 87 158 94 rr_2kk9 1 159 weak: 159 87 159 92 rr_2kk9 1 160 weak: 160 87 160 92 rr_2kk9 1 161 medium: 161 87 161 94 rr_2kk9 1 162 strong: 162 87 162 94 rr_2kk9 1 163 medium: 163 87 163 94 rr_2kk9 1 164 medium: 164 87 164 94 rr_2kk9 1 165 weak: 165 87 165 92 rr_2kk9 1 166 medium: 166 87 166 94 rr_2kk9 1 167 medium: 167 87 167 94 rr_2kk9 1 168 strong: 168 87 168 94 rr_2kk9 1 169 weak: 169 87 169 92 rr_2kk9 1 170 medium: 170 87 170 94 rr_2kk9 1 171 medium: 171 87 171 94 rr_2kk9 1 172 weak: 172 87 172 92 rr_2kk9 1 173 medium: 173 87 173 94 rr_2kk9 1 174 medium: 174 87 174 94 rr_2kk9 1 175 strong: 175 87 175 94 rr_2kk9 1 176 strong: 176 87 176 94 rr_2kk9 1 177 strong: 177 87 177 94 rr_2kk9 1 178 strong: 178 87 178 94 rr_2kk9 1 179 medium: 179 87 179 94 rr_2kk9 1 180 medium: 180 87 180 94 rr_2kk9 1 181 medium: 181 87 181 94 rr_2kk9 1 182 medium: 182 87 182 94 rr_2kk9 1 183 strong: 183 87 183 94 rr_2kk9 1 184 strong: 184 87 184 94 rr_2kk9 1 185 strong: 185 87 185 94 rr_2kk9 1 186 medium: 186 87 186 94 rr_2kk9 1 187 strong: 187 87 187 94 rr_2kk9 1 188 medium: 188 87 188 94 rr_2kk9 1 189 medium: 189 87 189 94 rr_2kk9 1 190 strong: 190 87 190 94 rr_2kk9 1 191 strong: 191 87 191 94 rr_2kk9 1 192 strong: 192 87 192 94 rr_2kk9 1 193 strong: 193 87 193 94 rr_2kk9 1 194 medium: 194 87 194 94 rr_2kk9 1 195 medium: 195 87 195 94 rr_2kk9 1 196 weak: 196 87 196 92 rr_2kk9 1 197 strong: 197 87 197 94 rr_2kk9 1 198 medium: 198 87 198 94 rr_2kk9 1 199 medium: 199 87 199 94 rr_2kk9 1 200 strong: 200 87 200 94 rr_2kk9 1 201 strong: 201 87 201 94 rr_2kk9 1 202 medium: 202 87 202 94 rr_2kk9 1 203 medium: 203 87 203 94 rr_2kk9 1 204 medium: 204 87 204 94 rr_2kk9 1 205 medium: 205 87 205 94 rr_2kk9 1 206 strong: 206 87 206 94 rr_2kk9 1 207 medium: 207 87 207 94 rr_2kk9 1 208 medium: 208 87 208 94 rr_2kk9 1 209 medium: 209 87 209 94 rr_2kk9 1 210 medium: 210 87 210 94 rr_2kk9 1 211 medium: 211 87 211 94 rr_2kk9 1 212 strong: 212 87 212 94 rr_2kk9 1 213 medium: 213 87 213 94 rr_2kk9 1 214 strong: 214 87 214 94 rr_2kk9 1 215 medium: 215 87 215 94 rr_2kk9 1 216 strong: 216 87 216 94 rr_2kk9 1 217 medium: 217 87 217 94 rr_2kk9 1 218 strong: 218 87 218 94 rr_2kk9 1 219 medium: 219 87 219 94 rr_2kk9 1 220 strong: 220 87 220 94 rr_2kk9 1 221 medium: 221 87 221 94 rr_2kk9 1 222 strong: 222 87 222 94 rr_2kk9 1 223 medium: 223 87 223 94 rr_2kk9 1 224 strong: 224 87 224 94 rr_2kk9 1 225 strong: 225 87 225 94 rr_2kk9 1 226 strong: 226 87 226 94 rr_2kk9 1 227 strong: 227 87 227 94 rr_2kk9 1 228 medium: 228 87 228 94 rr_2kk9 1 229 medium: 229 87 229 94 rr_2kk9 1 230 medium: 230 87 230 94 rr_2kk9 1 231 medium: 231 87 231 94 rr_2kk9 1 232 medium: 232 87 232 94 rr_2kk9 1 233 medium: 233 87 233 94 rr_2kk9 1 234 medium: 234 87 234 94 rr_2kk9 1 235 weak: 235 87 235 92 rr_2kk9 1 236 medium: 236 87 236 94 rr_2kk9 1 237 medium: 237 87 237 94 rr_2kk9 1 238 weak: 238 87 238 92 rr_2kk9 1 239 weak: 239 87 239 92 rr_2kk9 1 240 medium: 240 87 240 94 rr_2kk9 1 241 strong: 241 87 241 94 rr_2kk9 1 242 strong: 242 87 242 94 rr_2kk9 1 243 strong: 243 87 243 94 rr_2kk9 1 244 medium: 244 87 244 94 rr_2kk9 1 245 strong: 245 87 245 94 rr_2kk9 1 246 medium: 246 87 246 94 rr_2kk9 1 247 strong: 247 87 247 94 rr_2kk9 1 248 strong: 248 87 248 94 rr_2kk9 1 249 strong: 249 87 249 94 rr_2kk9 1 250 strong: 250 87 250 94 rr_2kk9 1 251 strong: 251 87 251 94 rr_2kk9 1 252 medium: 252 87 252 94 rr_2kk9 1 253 strong: 253 87 253 94 rr_2kk9 1 254 strong: 254 87 254 94 rr_2kk9 1 255 medium: 255 87 255 94 rr_2kk9 1 256 medium: 256 87 256 94 rr_2kk9 1 257 medium: 257 87 257 94 rr_2kk9 1 258 weak: 258 87 258 92 rr_2kk9 1 259 strong: 259 87 259 94 rr_2kk9 1 260 strong: 260 87 260 94 rr_2kk9 1 261 medium: 261 87 261 94 rr_2kk9 1 262 medium: 262 87 262 94 rr_2kk9 1 263 strong: 263 87 263 94 rr_2kk9 1 264 medium: 264 87 264 94 rr_2kk9 1 265 weak: 265 87 265 92 rr_2kk9 1 266 medium: 266 87 266 94 rr_2kk9 1 267 strong: 267 87 267 94 rr_2kk9 1 268 strong: 268 87 268 94 rr_2kk9 1 269 medium: 269 87 269 94 rr_2kk9 1 270 weak: 270 87 270 92 rr_2kk9 1 271 medium: 271 87 271 94 rr_2kk9 1 272 medium: 272 87 272 94 rr_2kk9 1 273 medium: 273 87 273 94 rr_2kk9 1 274 strong: 274 87 274 94 rr_2kk9 1 275 strong: 275 87 275 94 rr_2kk9 1 276 medium: 276 87 276 94 rr_2kk9 1 277 medium: 277 87 277 94 rr_2kk9 1 278 medium: 278 87 278 94 rr_2kk9 1 279 medium: 279 87 279 94 rr_2kk9 1 280 strong: 280 87 280 94 rr_2kk9 1 281 strong: 281 87 281 94 rr_2kk9 1 282 strong: 282 87 282 94 rr_2kk9 1 283 strong: 283 87 283 94 rr_2kk9 1 284 strong: 284 87 284 94 rr_2kk9 1 285 strong: 285 87 285 94 rr_2kk9 1 286 strong: 286 87 286 94 rr_2kk9 1 287 strong: 287 87 287 94 rr_2kk9 1 288 medium: 288 87 288 94 rr_2kk9 1 289 strong: 289 87 289 94 rr_2kk9 1 290 medium: 290 87 290 94 rr_2kk9 1 291 medium: 291 87 291 94 rr_2kk9 1 292 medium: 292 87 292 94 rr_2kk9 1 293 strong: 293 87 293 94 rr_2kk9 1 294 medium: 294 87 294 94 rr_2kk9 1 295 medium: 295 87 295 94 rr_2kk9 1 296 medium: 296 87 296 94 rr_2kk9 1 297 medium: 297 87 297 94 rr_2kk9 1 298 strong: 298 87 298 94 rr_2kk9 1 299 strong: 299 87 299 94 rr_2kk9 1 300 strong: 300 87 300 94 rr_2kk9 1 301 medium: 301 87 301 94 rr_2kk9 1 302 medium: 302 87 302 94 rr_2kk9 1 303 strong: 303 87 303 94 rr_2kk9 1 304 strong: 304 87 304 94 rr_2kk9 1 305 medium: 305 87 305 94 rr_2kk9 1 306 medium: 306 87 306 94 rr_2kk9 1 307 strong: 307 87 307 94 rr_2kk9 1 308 weak: 308 87 308 92 rr_2kk9 1 309 medium: 309 87 309 94 rr_2kk9 1 310 weak: 310 87 310 92 rr_2kk9 1 311 medium: 311 87 311 94 rr_2kk9 1 312 medium: 312 87 312 94 rr_2kk9 1 313 medium: 313 87 313 94 rr_2kk9 1 314 weak: 314 87 314 92 rr_2kk9 1 315 medium: 315 87 315 94 rr_2kk9 1 316 medium: 316 87 316 94 rr_2kk9 1 317 medium: 317 87 317 94 rr_2kk9 1 318 strong: 318 87 318 94 rr_2kk9 1 319 medium: 319 87 319 94 rr_2kk9 1 320 medium: 320 87 320 94 rr_2kk9 1 321 medium: 321 87 321 94 rr_2kk9 1 322 medium: 322 87 322 94 rr_2kk9 1 323 medium: 323 87 323 94 rr_2kk9 1 324 medium: 324 87 324 94 rr_2kk9 1 325 medium: 325 87 325 94 rr_2kk9 1 326 strong: 326 87 326 94 rr_2kk9 1 327 medium: 327 87 327 94 rr_2kk9 1 328 weak: 328 87 328 92 rr_2kk9 1 329 medium: 329 87 329 94 rr_2kk9 1 330 strong: 330 87 330 94 rr_2kk9 1 331 medium: 331 87 331 94 rr_2kk9 1 332 medium: 332 87 332 94 rr_2kk9 1 333 medium: 333 87 333 94 rr_2kk9 1 334 medium: 334 87 334 94 rr_2kk9 1 335 strong: 335 87 335 94 rr_2kk9 1 336 strong: 336 87 336 94 rr_2kk9 1 337 medium: 337 87 337 94 rr_2kk9 1 338 medium: 338 87 338 94 rr_2kk9 1 339 medium: 339 87 339 94 rr_2kk9 1 340 medium: 340 87 340 94 rr_2kk9 1 341 strong: 341 87 341 94 rr_2kk9 1 342 medium: 342 87 342 94 rr_2kk9 1 343 medium: 343 87 343 94 rr_2kk9 1 344 weak: 344 87 344 92 rr_2kk9 1 345 strong: 345 87 345 94 rr_2kk9 1 346 strong: 346 87 346 94 rr_2kk9 1 347 strong: 347 87 347 94 rr_2kk9 1 348 strong: 348 87 348 94 rr_2kk9 1 349 strong: 349 87 349 94 rr_2kk9 1 350 strong: 350 87 350 94 rr_2kk9 1 351 strong: 351 87 351 94 rr_2kk9 1 352 strong: 352 87 352 94 rr_2kk9 1 353 strong: 353 87 353 94 rr_2kk9 1 354 strong: 354 87 354 94 rr_2kk9 1 355 strong: 355 87 355 94 rr_2kk9 1 356 strong: 356 87 356 94 rr_2kk9 1 357 strong: 357 87 357 94 rr_2kk9 1 358 strong: 358 87 358 94 rr_2kk9 1 359 strong: 359 87 359 94 rr_2kk9 1 360 strong: 360 87 360 94 rr_2kk9 1 361 strong: 361 87 361 94 rr_2kk9 1 362 strong: 362 87 362 94 rr_2kk9 1 363 medium: 363 87 363 94 rr_2kk9 1 364 medium: 364 87 364 94 rr_2kk9 1 365 medium: 365 87 365 94 rr_2kk9 1 366 medium: 366 87 366 94 rr_2kk9 1 367 medium: 367 87 367 94 rr_2kk9 1 368 medium: 368 87 368 94 rr_2kk9 1 369 medium: 369 87 369 94 rr_2kk9 1 370 medium: 370 87 370 94 rr_2kk9 1 371 medium: 371 87 371 94 rr_2kk9 1 372 medium: 372 87 372 94 rr_2kk9 1 373 medium: 373 87 373 94 rr_2kk9 1 374 medium: 374 87 374 94 rr_2kk9 1 375 medium: 375 87 375 94 rr_2kk9 1 376 medium: 376 87 376 94 rr_2kk9 1 377 medium: 377 87 377 94 rr_2kk9 1 378 medium: 378 87 378 94 rr_2kk9 1 379 medium: 379 87 379 94 rr_2kk9 1 380 strong: 380 87 380 94 rr_2kk9 1 381 strong: 381 87 381 94 rr_2kk9 1 382 medium: 382 87 382 94 rr_2kk9 1 383 medium: 383 87 383 94 rr_2kk9 1 384 medium: 384 87 384 94 rr_2kk9 1 385 medium: 385 87 385 94 rr_2kk9 1 386 medium: 386 87 386 94 rr_2kk9 1 387 medium: 387 87 387 94 rr_2kk9 1 388 weak: 388 87 388 92 rr_2kk9 1 389 weak: 389 87 389 92 rr_2kk9 1 390 medium: 390 87 390 94 rr_2kk9 1 391 weak: 391 87 391 92 rr_2kk9 1 392 weak: 392 87 392 92 rr_2kk9 1 393 weak: 393 87 393 92 rr_2kk9 1 394 weak: 394 87 394 92 rr_2kk9 1 395 weak: 395 87 395 92 rr_2kk9 1 396 medium: 396 87 396 94 rr_2kk9 1 397 weak: 397 87 397 92 rr_2kk9 1 398 weak: 398 87 398 92 rr_2kk9 1 399 weak: 399 87 399 92 rr_2kk9 1 400 weak: 400 87 400 92 rr_2kk9 1 401 weak: 401 87 401 92 rr_2kk9 1 402 weak: 402 87 402 92 rr_2kk9 1 403 weak: 403 87 403 92 rr_2kk9 1 404 weak: 404 87 404 92 rr_2kk9 1 405 medium: 405 87 405 94 rr_2kk9 1 406 medium: 406 87 406 94 rr_2kk9 1 407 medium: 407 87 407 94 rr_2kk9 1 408 medium: 408 87 408 94 rr_2kk9 1 409 weak: 409 87 409 92 rr_2kk9 1 410 medium: 410 87 410 94 rr_2kk9 1 411 weak: 411 87 411 92 rr_2kk9 1 412 medium: 412 87 412 94 rr_2kk9 1 413 weak: 413 87 413 92 rr_2kk9 1 414 weak: 414 87 414 92 rr_2kk9 1 415 medium: 415 87 415 94 rr_2kk9 1 416 medium: 416 87 416 94 rr_2kk9 1 417 medium: 417 87 417 94 rr_2kk9 1 418 medium: 418 87 418 94 rr_2kk9 1 419 weak: 419 87 419 92 rr_2kk9 1 420 weak: 420 87 420 92 rr_2kk9 1 421 weak: 421 87 421 92 rr_2kk9 1 422 weak: 422 87 422 92 rr_2kk9 1 423 weak: 423 87 423 92 rr_2kk9 1 424 weak: 424 87 424 92 rr_2kk9 1 425 weak: 425 87 425 92 rr_2kk9 1 426 weak: 426 87 426 92 rr_2kk9 1 427 weak: 427 87 427 92 rr_2kk9 1 428 weak: 428 87 428 92 rr_2kk9 1 429 weak: 429 87 429 92 rr_2kk9 1 430 weak: 430 87 430 92 rr_2kk9 1 431 weak: 431 87 431 92 rr_2kk9 1 432 weak: 432 87 432 92 rr_2kk9 1 433 weak: 433 87 433 92 rr_2kk9 1 434 weak: 434 87 434 92 rr_2kk9 1 435 weak: 435 87 435 92 rr_2kk9 1 436 weak: 436 87 436 92 rr_2kk9 1 437 weak: 437 87 437 92 rr_2kk9 1 438 weak: 438 87 438 92 rr_2kk9 1 439 weak: 439 87 439 92 rr_2kk9 1 440 weak: 440 87 440 92 rr_2kk9 1 441 weak: 441 87 441 92 rr_2kk9 1 442 weak: 442 87 442 92 rr_2kk9 1 443 medium: 443 87 443 94 rr_2kk9 1 444 medium: 444 87 444 94 rr_2kk9 1 445 weak: 445 87 445 92 rr_2kk9 1 446 medium: 446 87 446 94 rr_2kk9 1 447 weak: 447 87 447 92 rr_2kk9 1 448 medium: 448 87 448 94 rr_2kk9 1 stop_ save_ save_Discover_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_2kk9 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 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_2kk9 2 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 28 28 ASN H H . . . 1 1 24 24 LEU O O . . . . . . 1.8 2.5 . . . . . A . 28 ASN H . . A . 24 LEU O . 1 . 28 ASN HN . . . 1 . 24 LEU O . . rr_2kk9 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 distance 1 1 1 9 rr_2kk9 2 stop_ save_ save_Discover_dihedral_7 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_7 _Torsion_angle_constraint_list.Entry_ID rr_2kk9 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 7 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_2kk9 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 LYS CA C . . 1 1 1 1 LYS C C . . 1 1 2 2 GLY N N . . 1 1 2 2 GLY CA C . 178.0 180.0 . . . A . 1 LYS CA . . A . 1 LYS C . . A . 2 GLY N . . A . 2 GLY CA . 1 . 1 LYSn CA . . . 1 . 1 LYSn C . . . 1 . 2 GLY N . . . 1 . 2 GLY CA . . rr_2kk9 1 2 . . 1 1 2 2 GLY CA C . . 1 1 2 2 GLY C C . . 1 1 3 3 LEU N N . . 1 1 3 3 LEU CA C . 178.0 180.0 . . . A . 2 GLY CA . . A . 2 GLY C . . A . 3 LEU N . . A . 3 LEU CA . 1 . 2 GLY CA . . . 1 . 2 GLY C . . . 1 . 3 LEU N . . . 1 . 3 LEU CA . . rr_2kk9 1 3 . . 1 1 3 3 LEU CA C . . 1 1 3 3 LEU C C . . 1 1 4 4 ARG N N . . 1 1 4 4 ARG CA C . 178.0 180.0 . . . A . 3 LEU CA . . A . 3 LEU C . . A . 4 ARG N . . A . 4 ARG CA . 1 . 3 LEU CA . . . 1 . 3 LEU C . . . 1 . 4 ARG N . . . 1 . 4 ARG CA . . rr_2kk9 1 4 . . 1 1 4 4 ARG CA C . . 1 1 4 4 ARG C C . . 1 1 5 5 ARG N N . . 1 1 5 5 ARG CA C . 178.0 180.0 . . . A . 4 ARG CA . . A . 4 ARG C . . A . 5 ARG N . . A . 5 ARG CA . 1 . 4 ARG CA . . . 1 . 4 ARG C . . . 1 . 5 ARG N . . . 1 . 5 ARG CA . . rr_2kk9 1 5 . . 1 1 5 5 ARG CA C . . 1 1 5 5 ARG C C . . 1 1 6 6 ASP N N . . 1 1 6 6 ASP CA C . 178.0 180.0 . . . A . 5 ARG CA . . A . 5 ARG C . . A . 6 ASP N . . A . 6 ASP CA . 1 . 5 ARG CA . . . 1 . 5 ARG C . . . 1 . 6 ASP N . . . 1 . 6 ASP CA . . rr_2kk9 1 6 . . 1 1 6 6 ASP CA C . . 1 1 6 6 ASP C C . . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . 178.0 180.0 . . . A . 6 ASP CA . . A . 6 ASP C . . A . 7 LEU N . . A . 7 LEU CA . 1 . 6 ASP CA . . . 1 . 6 ASP C . . . 1 . 7 LEU N . . . 1 . 7 LEU CA . . rr_2kk9 1 7 . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU C C . . 1 1 8 8 ASP N N . . 1 1 8 8 ASP CA C . 178.0 180.0 . . . A . 7 LEU CA . . A . 7 LEU C . . A . 8 ASP N . . A . 8 ASP CA . 1 . 7 LEU CA . . . 1 . 7 LEU C . . . 1 . 8 ASP N . . . 1 . 8 ASP CA . . rr_2kk9 1 8 . . 1 1 8 8 ASP CA C . . 1 1 8 8 ASP C C . . 1 1 9 9 ALA N N . . 1 1 9 9 ALA CA C . 178.0 180.0 . . . A . 8 ASP CA . . A . 8 ASP C . . A . 9 ALA N . . A . 9 ALA CA . 1 . 8 ASP CA . . . 1 . 8 ASP C . . . 1 . 9 ALA N . . . 1 . 9 ALA CA . . rr_2kk9 1 9 . . 1 1 9 9 ALA CA C . . 1 1 9 9 ALA C C . . 1 1 10 10 SER N N . . 1 1 10 10 SER CA C . 178.0 180.0 . . . A . 9 ALA CA . . A . 9 ALA C . . A . 10 SER N . . A . 10 SER CA . 1 . 9 ALA CA . . . 1 . 9 ALA C . . . 1 . 10 SER N . . . 1 . 10 SER CA . . rr_2kk9 1 10 . . 1 1 10 10 SER CA C . . 1 1 10 10 SER C C . . 1 1 11 11 ARG N N . . 1 1 11 11 ARG CA C . 178.0 180.0 . . . A . 10 SER CA . . A . 10 SER C . . A . 11 ARG N . . A . 11 ARG CA . 1 . 10 SER CA . . . 1 . 10 SER C . . . 1 . 11 ARG N . . . 1 . 11 ARG CA . . rr_2kk9 1 11 . . 1 1 11 11 ARG CA C . . 1 1 11 11 ARG C C . . 1 1 12 12 GLU N N . . 1 1 12 12 GLU CA C . 178.0 180.0 . . . A . 11 ARG CA . . A . 11 ARG C . . A . 12 GLU N . . A . 12 GLU CA . 1 . 11 ARG CA . . . 1 . 11 ARG C . . . 1 . 12 GLU N . . . 1 . 12 GLU CA . . rr_2kk9 1 12 . . 1 1 12 12 GLU CA C . . 1 1 12 12 GLU C C . . 1 1 13 13 ALA N N . . 1 1 13 13 ALA CA C . 178.0 180.0 . . . A . 12 GLU CA . . A . 12 GLU C . . A . 13 ALA N . . A . 13 ALA CA . 1 . 12 GLU CA . . . 1 . 12 GLU C . . . 1 . 13 ALA N . . . 1 . 13 ALA CA . . rr_2kk9 1 13 . . 1 1 13 13 ALA CA C . . 1 1 13 13 ALA C C . . 1 1 14 14 LYS N N . . 1 1 14 14 LYS CA C . 178.0 180.0 . . . A . 13 ALA CA . . A . 13 ALA C . . A . 14 LYS N . . A . 14 LYS CA . 1 . 13 ALA CA . . . 1 . 13 ALA C . . . 1 . 14 LYS N . . . 1 . 14 LYS CA . . rr_2kk9 1 14 . . 1 1 14 14 LYS CA C . . 1 1 14 14 LYS C C . . 1 1 15 15 LYS N N . . 1 1 15 15 LYS CA C . 178.0 180.0 . . . A . 14 LYS CA . . A . 14 LYS C . . A . 15 LYS N . . A . 15 LYS CA . 1 . 14 LYS CA . . . 1 . 14 LYS C . . . 1 . 15 LYS N . . . 1 . 15 LYS CA . . rr_2kk9 1 15 . . 1 1 15 15 LYS CA C . . 1 1 15 15 LYS C C . . 1 1 16 16 GLN N N . . 1 1 16 16 GLN CA C . 178.0 180.0 . . . A . 15 LYS CA . . A . 15 LYS C . . A . 16 GLN N . . A . 16 GLN CA . 1 . 15 LYS CA . . . 1 . 15 LYS C . . . 1 . 16 GLN N . . . 1 . 16 GLN CA . . rr_2kk9 1 16 . . 1 1 16 16 GLN CA C . . 1 1 16 16 GLN C C . . 1 1 17 17 LEU N N . . 1 1 17 17 LEU CA C . 178.0 180.0 . . . A . 16 GLN CA . . A . 16 GLN C . . A . 17 LEU N . . A . 17 LEU CA . 1 . 16 GLN CA . . . 1 . 16 GLN C . . . 1 . 17 LEU N . . . 1 . 17 LEU CA . . rr_2kk9 1 17 . . 1 1 17 17 LEU CA C . . 1 1 17 17 LEU C C . . 1 1 18 18 GLU N N . . 1 1 18 18 GLU CA C . 178.0 180.0 . . . A . 17 LEU CA . . A . 17 LEU C . . A . 18 GLU N . . A . 18 GLU CA . 1 . 17 LEU CA . . . 1 . 17 LEU C . . . 1 . 18 GLU N . . . 1 . 18 GLU CA . . rr_2kk9 1 18 . . 1 1 18 18 GLU CA C . . 1 1 18 18 GLU C C . . 1 1 19 19 ALA N N . . 1 1 19 19 ALA CA C . 178.0 180.0 . . . A . 18 GLU CA . . A . 18 GLU C . . A . 19 ALA N . . A . 19 ALA CA . 1 . 18 GLU CA . . . 1 . 18 GLU C . . . 1 . 19 ALA N . . . 1 . 19 ALA CA . . rr_2kk9 1 19 . . 1 1 19 19 ALA CA C . . 1 1 19 19 ALA C C . . 1 1 20 20 GLU N N . . 1 1 20 20 GLU CA C . 178.0 180.0 . . . A . 19 ALA CA . . A . 19 ALA C . . A . 20 GLU N . . A . 20 GLU CA . 1 . 19 ALA CA . . . 1 . 19 ALA C . . . 1 . 20 GLU N . . . 1 . 20 GLU CA . . rr_2kk9 1 20 . . 1 1 20 20 GLU CA C . . 1 1 20 20 GLU C C . . 1 1 21 21 GLN N N . . 1 1 21 21 GLN CA C . 178.0 180.0 . . . A . 20 GLU CA . . A . 20 GLU C . . A . 21 GLN N . . A . 21 GLN CA . 1 . 20 GLU CA . . . 1 . 20 GLU C . . . 1 . 21 GLN N . . . 1 . 21 GLN CA . . rr_2kk9 1 21 . . 1 1 21 21 GLN CA C . . 1 1 21 21 GLN C C . . 1 1 22 22 GLN N N . . 1 1 22 22 GLN CA C . 178.0 180.0 . . . A . 21 GLN CA . . A . 21 GLN C . . A . 22 GLN N . . A . 22 GLN CA . 1 . 21 GLN CA . . . 1 . 21 GLN C . . . 1 . 22 GLN N . . . 1 . 22 GLN CA . . rr_2kk9 1 22 . . 1 1 22 22 GLN CA C . . 1 1 22 22 GLN C C . . 1 1 23 23 LYS N N . . 1 1 23 23 LYS CA C . 178.0 180.0 . . . A . 22 GLN CA . . A . 22 GLN C . . A . 23 LYS N . . A . 23 LYS CA . 1 . 22 GLN CA . . . 1 . 22 GLN C . . . 1 . 23 LYS N . . . 1 . 23 LYS CA . . rr_2kk9 1 23 . . 1 1 23 23 LYS CA C . . 1 1 23 23 LYS C C . . 1 1 24 24 LEU N N . . 1 1 24 24 LEU CA C . 178.0 180.0 . . . A . 23 LYS CA . . A . 23 LYS C . . A . 24 LEU N . . A . 24 LEU CA . 1 . 23 LYS CA . . . 1 . 23 LYS C . . . 1 . 24 LEU N . . . 1 . 24 LEU CA . . rr_2kk9 1 24 . . 1 1 24 24 LEU CA C . . 1 1 24 24 LEU C C . . 1 1 25 25 GLU N N . . 1 1 25 25 GLU CA C . 178.0 180.0 . . . A . 24 LEU CA . . A . 24 LEU C . . A . 25 GLU N . . A . 25 GLU CA . 1 . 24 LEU CA . . . 1 . 24 LEU C . . . 1 . 25 GLU N . . . 1 . 25 GLU CA . . rr_2kk9 1 25 . . 1 1 25 25 GLU CA C . . 1 1 25 25 GLU C C . . 1 1 26 26 GLU N N . . 1 1 26 26 GLU CA C . 178.0 180.0 . . . A . 25 GLU CA . . A . 25 GLU C . . A . 26 GLU N . . A . 26 GLU CA . 1 . 25 GLU CA . . . 1 . 25 GLU C . . . 1 . 26 GLU N . . . 1 . 26 GLU CA . . rr_2kk9 1 26 . . 1 1 26 26 GLU CA C . . 1 1 26 26 GLU C C . . 1 1 27 27 GLN N N . . 1 1 27 27 GLN CA C . 178.0 180.0 . . . A . 26 GLU CA . . A . 26 GLU C . . A . 27 GLN N . . A . 27 GLN CA . 1 . 26 GLU CA . . . 1 . 26 GLU C . . . 1 . 27 GLN N . . . 1 . 27 GLN CA . . rr_2kk9 1 27 . . 1 1 27 27 GLN CA C . . 1 1 27 27 GLN C C . . 1 1 28 28 ASN N N . . 1 1 28 28 ASN CA C . 178.0 180.0 . . . A . 27 GLN CA . . A . 27 GLN C . . A . 28 ASN N . . A . 28 ASN CA . 1 . 27 GLN CA . . . 1 . 27 GLN C . . . 1 . 28 ASN N . . . 1 . 28 ASN CA . . rr_2kk9 1 28 . . 1 1 28 28 ASN CA C . . 1 1 28 28 ASN C C . . 1 1 29 29 LYS N N . . 1 1 29 29 LYS CA C . 178.0 180.0 . . . A . 28 ASN CA . . A . 28 ASN C . . A . 29 LYS N . . A . 29 LYS CA . 1 . 28 ASN CA . . . 1 . 28 ASN C . . . 1 . 29 LYS N . . . 1 . 29 LYS CA . . rr_2kk9 1 29 . . 1 1 29 29 LYS CA C . . 1 1 29 29 LYS C C . . 1 1 30 30 ILE N N . . 1 1 30 30 ILE CA C . 178.0 180.0 . . . A . 29 LYS CA . . A . 29 LYS C . . A . 30 ILE N . . A . 30 ILE CA . 1 . 29 LYS CA . . . 1 . 29 LYS C . . . 1 . 30 ILE N . . . 1 . 30 ILE CA . . rr_2kk9 1 30 . . 1 1 30 30 ILE CA C . . 1 1 30 30 ILE C C . . 1 1 31 31 SER N N . . 1 1 31 31 SER CA C . 178.0 180.0 . . . A . 30 ILE CA . . A . 30 ILE C . . A . 31 SER N . . A . 31 SER CA . 1 . 30 ILE CA . . . 1 . 30 ILE C . . . 1 . 31 SER N . . . 1 . 31 SER CA . . rr_2kk9 1 31 . . 1 1 31 31 SER CA C . . 1 1 31 31 SER C C . . 1 1 32 32 GLU N N . . 1 1 32 32 GLU CA C . 178.0 180.0 . . . A . 31 SER CA . . A . 31 SER C . . A . 32 GLU N . . A . 32 GLU CA . 1 . 31 SER CA . . . 1 . 31 SER C . . . 1 . 32 GLU N . . . 1 . 32 GLU CA . . rr_2kk9 1 32 . . 1 1 32 32 GLU CA C . . 1 1 32 32 GLU C C . . 1 1 33 33 ALA N N . . 1 1 33 33 ALA CA C . 178.0 180.0 . . . A . 32 GLU CA . . A . 32 GLU C . . A . 33 ALA N . . A . 33 ALA CA . 1 . 32 GLU CA . . . 1 . 32 GLU C . . . 1 . 33 ALA N . . . 1 . 33 ALA CA . . rr_2kk9 1 33 . . 1 1 33 33 ALA CA C . . 1 1 33 33 ALA C C . . 1 1 34 34 SER N N . . 1 1 34 34 SER CA C . 178.0 180.0 . . . A . 33 ALA CA . . A . 33 ALA C . . A . 34 SER N . . A . 34 SER CA . 1 . 33 ALA CA . . . 1 . 33 ALA C . . . 1 . 34 SER N . . . 1 . 34 SER CA . . rr_2kk9 1 34 . . 1 1 34 34 SER CA C . . 1 1 34 34 SER C C . . 1 1 35 35 ARG N N . . 1 1 35 35 ARG CA C . 178.0 180.0 . . . A . 34 SER CA . . A . 34 SER C . . A . 35 ARG N . . A . 35 ARG CA . 1 . 34 SER CA . . . 1 . 34 SER C . . . 1 . 35 ARG N . . . 1 . 35 ARG CA . . rr_2kk9 1 35 . . 1 1 35 35 ARG CA C . . 1 1 35 35 ARG C C . . 1 1 36 36 LYS N N . . 1 1 36 36 LYS CA C . 178.0 180.0 . . . A . 35 ARG CA . . A . 35 ARG C . . A . 36 LYS N . . A . 36 LYS CA . 1 . 35 ARG CA . . . 1 . 35 ARG C . . . 1 . 36 LYS N . . . 1 . 36 LYS CA . . rr_2kk9 1 36 . . 1 1 36 36 LYS CA C . . 1 1 36 36 LYS C C . . 1 1 37 37 GLY N N . . 1 1 37 37 GLY CA C . 178.0 180.0 . . . A . 36 LYS CA . . A . 36 LYS C . . A . 37 GLY N . . A . 37 GLY CA . 1 . 36 LYS CA . . . 1 . 36 LYS C . . . 1 . 37 GLY N . . . 1 . 37 GLY CA . . rr_2kk9 1 37 . . 1 1 37 37 GLY CA C . . 1 1 37 37 GLY C C . . 1 1 38 38 LEU N N . . 1 1 38 38 LEU CA C . 178.0 180.0 . . . A . 37 GLY CA . . A . 37 GLY C . . A . 38 LEU N . . A . 38 LEU CA . 1 . 37 GLY CA . . . 1 . 37 GLY C . . . 1 . 38 LEU N . . . 1 . 38 LEU CA . . rr_2kk9 1 38 . . 1 1 38 38 LEU CA C . . 1 1 38 38 LEU C C . . 1 1 39 39 ARG N N . . 1 1 39 39 ARG CA C . 178.0 180.0 . . . A . 38 LEU CA . . A . 38 LEU C . . A . 39 ARG N . . A . 39 ARG CA . 1 . 38 LEU CA . . . 1 . 38 LEU C . . . 1 . 39 ARG N . . . 1 . 39 ARG CA . . rr_2kk9 1 39 . . 1 1 39 39 ARG CA C . . 1 1 39 39 ARG C C . . 1 1 40 40 ARG N N . . 1 1 40 40 ARG CA C . 178.0 180.0 . . . A . 39 ARG CA . . A . 39 ARG C . . A . 40 ARG N . . A . 40 ARG CA . 1 . 39 ARG CA . . . 1 . 39 ARG C . . . 1 . 40 ARG N . . . 1 . 40 ARG CA . . rr_2kk9 1 40 . . 1 1 40 40 ARG CA C . . 1 1 40 40 ARG C C . . 1 1 41 41 ASP N N . . 1 1 41 41 ASP CA C . 178.0 180.0 . . . A . 40 ARG CA . . A . 40 ARG C . . A . 41 ASP N . . A . 41 ASP CA . 1 . 40 ARG CA . . . 1 . 40 ARG C . . . 1 . 41 ASP N . . . 1 . 41 ASP CA . . rr_2kk9 1 41 . . 1 1 41 41 ASP CA C . . 1 1 41 41 ASP C C . . 1 1 42 42 LEU N N . . 1 1 42 42 LEU CA C . 178.0 180.0 . . . A . 41 ASP CA . . A . 41 ASP C . . A . 42 LEU N . . A . 42 LEU CA . 1 . 41 ASP CA . . . 1 . 41 ASP C . . . 1 . 42 LEU N . . . 1 . 42 LEU CA . . rr_2kk9 1 42 . . 1 1 42 42 LEU CA C . . 1 1 42 42 LEU C C . . 1 1 43 43 ASP N N . . 1 1 43 43 ASP CA C . 178.0 180.0 . . . A . 42 LEU CA . . A . 42 LEU C . . A . 43 ASP N . . A . 43 ASP CA . 1 . 42 LEU CA . . . 1 . 42 LEU C . . . 1 . 43 ASP N . . . 1 . 43 ASP CA . . rr_2kk9 1 43 . . 1 1 43 43 ASP CA C . . 1 1 43 43 ASP C C . . 1 1 44 44 ALA N N . . 1 1 44 44 ALA CA C . 178.0 180.0 . . . A . 43 ASP CA . . A . 43 ASP C . . A . 44 ALA N . . A . 44 ALA CA . 1 . 43 ASP CA . . . 1 . 43 ASP C . . . 1 . 44 ALA N . . . 1 . 44 ALA CA . . rr_2kk9 1 44 . . 1 1 44 44 ALA CA C . . 1 1 44 44 ALA C C . . 1 1 45 45 SER N N . . 1 1 45 45 SER CA C . 178.0 180.0 . . . A . 44 ALA CA . . A . 44 ALA C . . A . 45 SER N . . A . 45 SER CA . 1 . 44 ALA CA . . . 1 . 44 ALA C . . . 1 . 45 SER N . . . 1 . 45 SER CA . . rr_2kk9 1 45 . . 1 1 45 45 SER CA C . . 1 1 45 45 SER C C . . 1 1 46 46 ARG N N . . 1 1 46 46 ARG CA C . 178.0 180.0 . . . A . 45 SER CA . . A . 45 SER C . . A . 46 ARG N . . A . 46 ARG CA . 1 . 45 SER CA . . . 1 . 45 SER C . . . 1 . 46 ARG N . . . 1 . 46 ARG CA . . rr_2kk9 1 46 . . 1 1 46 46 ARG CA C . . 1 1 46 46 ARG C C . . 1 1 47 47 GLU N N . . 1 1 47 47 GLU CA C . 178.0 180.0 . . . A . 46 ARG CA . . A . 46 ARG C . . A . 47 GLU N . . A . 47 GLU CA . 1 . 46 ARG CA . . . 1 . 46 ARG C . . . 1 . 47 GLU N . . . 1 . 47 GLU CA . . rr_2kk9 1 47 . . 1 1 47 47 GLU CA C . . 1 1 47 47 GLU C C . . 1 1 48 48 ALA N N . . 1 1 48 48 ALA CA C . 178.0 180.0 . . . A . 47 GLU CA . . A . 47 GLU C . . A . 48 ALA N . . A . 48 ALA CA . 1 . 47 GLU CA . . . 1 . 47 GLU C . . . 1 . 48 ALA N . . . 1 . 48 ALA CA . . rr_2kk9 1 48 . . 1 1 48 48 ALA CA C . . 1 1 48 48 ALA C C . . 1 1 49 49 LYS N N . . 1 1 49 49 LYS CA C . 178.0 180.0 . . . A . 48 ALA CA . . A . 48 ALA C . . A . 49 LYS N . . A . 49 LYS CA . 1 . 48 ALA CA . . . 1 . 48 ALA C . . . 1 . 49 LYS N . . . 1 . 49 LYS CA . . rr_2kk9 1 49 . . 1 1 49 49 LYS CA C . . 1 1 49 49 LYS C C . . 1 1 50 50 LYS N N . . 1 1 50 50 LYS CA C . 178.0 180.0 . . . A . 49 LYS CA . . A . 49 LYS C . . A . 50 LYS N . . A . 50 LYS CA . 1 . 49 LYS CA . . . 1 . 49 LYS C . . . 1 . 50 LYS N . . . 1 . 50 LYS CA . . rr_2kk9 1 50 . . 1 1 50 50 LYS CA C . . 1 1 50 50 LYS C C . . 1 1 51 51 GLN N N . . 1 1 51 51 GLN CA C . 178.0 180.0 . . . A . 50 LYS CA . . A . 50 LYS C . . A . 51 GLN N . . A . 51 GLN CA . 1 . 50 LYS CA . . . 1 . 50 LYS C . . . 1 . 51 GLN N . . . 1 . 51 GLN CA . . rr_2kk9 1 51 . . 1 1 51 51 GLN CA C . . 1 1 51 51 GLN C C . . 1 1 52 52 VAL N N . . 1 1 52 52 VAL CA C . 178.0 180.0 . . . A . 51 GLN CA . . A . 51 GLN C . . A . 52 VAL N . . A . 52 VAL CA . 1 . 51 GLN CA . . . 1 . 51 GLN C . . . 1 . 52 VAL N . . . 1 . 52 VAL CA . . rr_2kk9 1 52 . . 1 1 52 52 VAL CA C . . 1 1 52 52 VAL C C . . 1 1 53 53 GLU N N . . 1 1 53 53 GLU CA C . 178.0 180.0 . . . A . 52 VAL CA . . A . 52 VAL C . . A . 53 GLU N . . A . 53 GLU CA . 1 . 52 VAL CA . . . 1 . 52 VAL C . . . 1 . 53 GLU N . . . 1 . 53 GLU CA . . rr_2kk9 1 53 . . 1 1 53 53 GLU CA C . . 1 1 53 53 GLU C C . . 1 1 54 54 LYS N N . . 1 1 54 54 LYS CA C . 178.0 180.0 . . . A . 53 GLU CA . . A . 53 GLU C . . A . 54 LYS N . . A . 54 LYS CA . 1 . 53 GLU CA . . . 1 . 53 GLU C . . . 1 . 54 LYS N . . . 1 . 54 LYS CA . . rr_2kk9 1 54 . . 1 1 54 54 LYS CA C . . 1 1 54 54 LYS C C . . 1 1 55 55 ALA N N . . 1 1 55 55 ALA CA C . 178.0 180.0 . . . A . 54 LYS CA . . A . 54 LYS C . . A . 55 ALA N . . A . 55 ALA CA . 1 . 54 LYS CA . . . 1 . 54 LYS C . . . 1 . 55 ALA N . . . 1 . 55 ALA CA . . rr_2kk9 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 NMR_dihedral 1 1 1 13 rr_2kk9 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_2kk9 _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 ANTIMICROBIAL PROTEIN 16-JUN-09 2KK9 *TITLE ANTI-GROUP A STREPTOCOCCAL VACCINE EPITOPE: STRUCTURE, STABILITY AND *TITLE 2 ITS ABILITY TO INTERACT WITH HLA CLASS II MOLECULES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: M PROTEIN, SEROTYPE 5; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 300-354; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: A 55-MER-LONG SYNTHETIC PEPTIDE *KEYWDS S. PYOGENES, M5 PROTEIN, SYNTHETIC PEPTIDE VACCINE, CELL WALL, COILED *KEYWDS 2 COIL, PEPTIDOGLYCAN-ANCHOR, PHAGOCYTOSIS, SECRETED, VIRULENCE, *KEYWDS 3 UNKNOWN FUNCTION, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR L.GUILHERME, M.P.ALBA, M.E.PATARROYO, J.KALIL *REVDAT 1 16-JUN-10 2KK9 0' save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_framecode MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_2kk9 _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; #mixing_times 4.000000E+02 ! ; save_