data_Remediated_restraints_file_for_PDB_entry_1k3h # This BMRB archive file contains, for PDB entry 1k3h: # # - 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_1k3h _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1k3h' _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 1k3h' _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 1k3h 'Master copy' rr_1k3h stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1k3h _Assembly.ID 1 _Assembly.Name 1k3h _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 7720.3998 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 'cytochrome c 553' 1 $cytochrome_c_553 A . no . . . . . . rr_1k3h 1 2 'HEME C' 2 $HEME_C B . no . . . . . . rr_1k3h 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytochrome_c_553 _Entity.Sf_category entity _Entity.Sf_framecode cytochrome_c_553 _Entity.Entry_ID rr_1k3h _Entity.ID 1 _Entity.Name cytochrome_c_553 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; VDAEAVVQQKCISCHGGDLT GASAPAIDKAGANYSEEEIL DIILNGQGGMPGGIAKGAEA EAVAAWLAEKK ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 71 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 7101.8858 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 . VAL . rr_1k3h 1 2 . ASP . rr_1k3h 1 3 . ALA . rr_1k3h 1 4 . GLU . rr_1k3h 1 5 . ALA . rr_1k3h 1 6 . VAL . rr_1k3h 1 7 . VAL . rr_1k3h 1 8 . GLN . rr_1k3h 1 9 . GLN . rr_1k3h 1 10 . LYS . rr_1k3h 1 11 . CYS . rr_1k3h 1 12 . ILE . rr_1k3h 1 13 . SER . rr_1k3h 1 14 . CYS . rr_1k3h 1 15 . HIS . rr_1k3h 1 16 . GLY . rr_1k3h 1 17 . GLY . rr_1k3h 1 18 . ASP . rr_1k3h 1 19 . LEU . rr_1k3h 1 20 . THR . rr_1k3h 1 21 . GLY . rr_1k3h 1 22 . ALA . rr_1k3h 1 23 . SER . rr_1k3h 1 24 . ALA . rr_1k3h 1 25 . PRO . rr_1k3h 1 26 . ALA . rr_1k3h 1 27 . ILE . rr_1k3h 1 28 . ASP . rr_1k3h 1 29 . LYS . rr_1k3h 1 30 . ALA . rr_1k3h 1 31 . GLY . rr_1k3h 1 32 . ALA . rr_1k3h 1 33 . ASN . rr_1k3h 1 34 . TYR . rr_1k3h 1 35 . SER . rr_1k3h 1 36 . GLU . rr_1k3h 1 37 . GLU . rr_1k3h 1 38 . GLU . rr_1k3h 1 39 . ILE . rr_1k3h 1 40 . LEU . rr_1k3h 1 41 . ASP . rr_1k3h 1 42 . ILE . rr_1k3h 1 43 . ILE . rr_1k3h 1 44 . LEU . rr_1k3h 1 45 . ASN . rr_1k3h 1 46 . GLY . rr_1k3h 1 47 . GLN . rr_1k3h 1 48 . GLY . rr_1k3h 1 49 . GLY . rr_1k3h 1 50 . MET . rr_1k3h 1 51 . PRO . rr_1k3h 1 52 . GLY . rr_1k3h 1 53 . GLY . rr_1k3h 1 54 . ILE . rr_1k3h 1 55 . ALA . rr_1k3h 1 56 . LYS . rr_1k3h 1 57 . GLY . rr_1k3h 1 58 . ALA . rr_1k3h 1 59 . GLU . rr_1k3h 1 60 . ALA . rr_1k3h 1 61 . GLU . rr_1k3h 1 62 . ALA . rr_1k3h 1 63 . VAL . rr_1k3h 1 64 . ALA . rr_1k3h 1 65 . ALA . rr_1k3h 1 66 . TRP . rr_1k3h 1 67 . LEU . rr_1k3h 1 68 . ALA . rr_1k3h 1 69 . GLU . rr_1k3h 1 70 . LYS . rr_1k3h 1 71 . LYS . rr_1k3h 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 . VAL 1 1 rr_1k3h 1 . ASP 2 2 rr_1k3h 1 . ALA 3 3 rr_1k3h 1 . GLU 4 4 rr_1k3h 1 . ALA 5 5 rr_1k3h 1 . VAL 6 6 rr_1k3h 1 . VAL 7 7 rr_1k3h 1 . GLN 8 8 rr_1k3h 1 . GLN 9 9 rr_1k3h 1 . LYS 10 10 rr_1k3h 1 . CYS 11 11 rr_1k3h 1 . ILE 12 12 rr_1k3h 1 . SER 13 13 rr_1k3h 1 . CYS 14 14 rr_1k3h 1 . HIS 15 15 rr_1k3h 1 . GLY 16 16 rr_1k3h 1 . GLY 17 17 rr_1k3h 1 . ASP 18 18 rr_1k3h 1 . LEU 19 19 rr_1k3h 1 . THR 20 20 rr_1k3h 1 . GLY 21 21 rr_1k3h 1 . ALA 22 22 rr_1k3h 1 . SER 23 23 rr_1k3h 1 . ALA 24 24 rr_1k3h 1 . PRO 25 25 rr_1k3h 1 . ALA 26 26 rr_1k3h 1 . ILE 27 27 rr_1k3h 1 . ASP 28 28 rr_1k3h 1 . LYS 29 29 rr_1k3h 1 . ALA 30 30 rr_1k3h 1 . GLY 31 31 rr_1k3h 1 . ALA 32 32 rr_1k3h 1 . ASN 33 33 rr_1k3h 1 . TYR 34 34 rr_1k3h 1 . SER 35 35 rr_1k3h 1 . GLU 36 36 rr_1k3h 1 . GLU 37 37 rr_1k3h 1 . GLU 38 38 rr_1k3h 1 . ILE 39 39 rr_1k3h 1 . LEU 40 40 rr_1k3h 1 . ASP 41 41 rr_1k3h 1 . ILE 42 42 rr_1k3h 1 . ILE 43 43 rr_1k3h 1 . LEU 44 44 rr_1k3h 1 . ASN 45 45 rr_1k3h 1 . GLY 46 46 rr_1k3h 1 . GLN 47 47 rr_1k3h 1 . GLY 48 48 rr_1k3h 1 . GLY 49 49 rr_1k3h 1 . MET 50 50 rr_1k3h 1 . PRO 51 51 rr_1k3h 1 . GLY 52 52 rr_1k3h 1 . GLY 53 53 rr_1k3h 1 . ILE 54 54 rr_1k3h 1 . ALA 55 55 rr_1k3h 1 . LYS 56 56 rr_1k3h 1 . GLY 57 57 rr_1k3h 1 . ALA 58 58 rr_1k3h 1 . GLU 59 59 rr_1k3h 1 . ALA 60 60 rr_1k3h 1 . GLU 61 61 rr_1k3h 1 . ALA 62 62 rr_1k3h 1 . VAL 63 63 rr_1k3h 1 . ALA 64 64 rr_1k3h 1 . ALA 65 65 rr_1k3h 1 . TRP 66 66 rr_1k3h 1 . LEU 67 67 rr_1k3h 1 . ALA 68 68 rr_1k3h 1 . GLU 69 69 rr_1k3h 1 . LYS 70 70 rr_1k3h 1 . LYS 71 71 rr_1k3h 1 stop_ save_ save_HEME_C _Entity.Sf_category entity _Entity.Sf_framecode HEME_C _Entity.Entry_ID rr_1k3h _Entity.ID 2 _Entity.Name HEME_C _Entity.Type non-polymer _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID HEC _Entity.Number_of_monomers 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 2 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HEC . rr_1k3h 2 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEC _Chem_comp.Entry_ID rr_1k3h _Chem_comp.ID HEC _Chem_comp.Name 'HEME C' _Chem_comp.Type non-polymer _Chem_comp.PDB_code HEC _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H34 Fe N4 O4' _Chem_comp.Formula_weight 618.514 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_1k3h _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_1k3h _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_1k3h 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_1k3h 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 VAL C C 9.403 -0.141 -9.509 . . . 1.0 . . . . . . . . . . . . A . 22 VAL C . . . . . . . . . rr_1k3h 1 . 1 . 2 . 1 1 1 VAL CA C 10.613 -1.047 -9.319 . . . 1.0 . . . . . . . . . . . . A . 22 VAL CA . . . . . . . . . rr_1k3h 1 . 1 . 3 . 1 1 1 VAL CB C 10.348 -2.174 -8.299 . . . 1.0 . . . . . . . . . . . . A . 22 VAL CB . . . . . . . . . rr_1k3h 1 . 1 . 4 . 1 1 1 VAL CG1 C 8.936 -2.758 -8.416 . . . 1.0 . . . . . . . . . . . . A . 22 VAL CG1 . . . . . . . . . rr_1k3h 1 . 1 . 5 . 1 1 1 VAL CG2 C 11.358 -3.313 -8.486 . . . 1.0 . . . . . . . . . . . . A . 22 VAL CG2 . . . . . . . . . rr_1k3h 1 . 1 . 6 . 1 1 1 VAL H1 H 11.823 0.567 -9.536 . . . 1.0 . . . . . . . . . . . . A . 22 VAL H1 . . . . . . . . . rr_1k3h 1 . 1 . 7 . 1 1 1 VAL H2 H 11.498 0.181 -7.983 . . . 1.0 . . . . . . . . . . . . A . 22 VAL H2 . . . . . . . . . rr_1k3h 1 . 1 . 8 . 1 1 1 VAL H3 H 12.597 -0.730 -8.842 . . . 1.0 . . . . . . . . . . . . A . 22 VAL H3 . . . . . . . . . rr_1k3h 1 . 1 . 9 . 1 1 1 VAL HA H 10.860 -1.487 -10.287 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HA . . . . . . . . . rr_1k3h 1 . 1 . 10 . 1 1 1 VAL HB H 10.452 -1.778 -7.287 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HB . . . . . . . . . rr_1k3h 1 . 1 . 11 . 1 1 1 VAL HG11 H 8.728 -3.072 -9.439 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG11 . . . . . . . . . rr_1k3h 1 . 1 . 12 . 1 1 1 VAL HG12 H 8.846 -3.623 -7.762 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG12 . . . . . . . . . rr_1k3h 1 . 1 . 13 . 1 1 1 VAL HG13 H 8.201 -2.016 -8.103 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG13 . . . . . . . . . rr_1k3h 1 . 1 . 14 . 1 1 1 VAL HG21 H 11.201 -4.072 -7.718 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG21 . . . . . . . . . rr_1k3h 1 . 1 . 15 . 1 1 1 VAL HG22 H 11.220 -3.774 -9.465 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG22 . . . . . . . . . rr_1k3h 1 . 1 . 16 . 1 1 1 VAL HG23 H 12.378 -2.941 -8.405 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG23 . . . . . . . . . rr_1k3h 1 . 1 . 17 . 1 1 1 VAL N N 11.739 -0.203 -8.887 . . . 1.0 . . . . . . . . . . . . A . 22 VAL N . . . . . . . . . rr_1k3h 1 . 1 . 18 . 1 1 1 VAL O O 9.292 0.859 -8.803 . . . 1.0 . . . . . . . . . . . . A . 22 VAL O . . . . . . . . . rr_1k3h 1 . 1 . 19 . 1 1 2 ASP C C 6.343 0.240 -9.772 . . . 1.0 . . . . . . . . . . . . A . 23 ASP C . . . . . . . . . rr_1k3h 1 . 1 . 20 . 1 1 2 ASP CA C 7.416 0.358 -10.849 . . . 1.0 . . . . . . . . . . . . A . 23 ASP CA . . . . . . . . . rr_1k3h 1 . 1 . 21 . 1 1 2 ASP CB C 6.900 -0.095 -12.221 . . . 1.0 . . . . . . . . . . . . A . 23 ASP CB . . . . . . . . . rr_1k3h 1 . 1 . 22 . 1 1 2 ASP CG C 7.846 0.275 -13.356 . . . 1.0 . . . . . . . . . . . . A . 23 ASP CG . . . . . . . . . rr_1k3h 1 . 1 . 23 . 1 1 2 ASP H H 8.752 -1.237 -11.093 . . . 1.0 . . . . . . . . . . . . A . 23 ASP H . . . . . . . . . rr_1k3h 1 . 1 . 24 . 1 1 2 ASP HA H 7.732 1.399 -10.940 . . . 1.0 . . . . . . . . . . . . A . 23 ASP HA . . . . . . . . . rr_1k3h 1 . 1 . 25 . 1 1 2 ASP HB2 H 6.770 -1.176 -12.233 . . . 1.0 . . . . . . . . . . . . A . 23 ASP HB2 . . . . . . . . . rr_1k3h 1 . 1 . 26 . 1 1 2 ASP HB3 H 5.937 0.379 -12.414 . . . 1.0 . . . . . . . . . . . . A . 23 ASP HB3 . . . . . . . . . rr_1k3h 1 . 1 . 27 . 1 1 2 ASP N N 8.543 -0.470 -10.471 . . . 1.0 . . . . . . . . . . . . A . 23 ASP N . . . . . . . . . rr_1k3h 1 . 1 . 28 . 1 1 2 ASP O O 5.525 -0.680 -9.787 . . . 1.0 . . . . . . . . . . . . A . 23 ASP O . . . . . . . . . rr_1k3h 1 . 1 . 29 . 1 1 2 ASP OD1 O 9.070 0.113 -13.149 . . . 1.0 . . . . . . . . . . . . A . 23 ASP OD1 . . . . . . . . . rr_1k3h 1 . 1 . 30 . 1 1 2 ASP OD2 O 7.325 0.694 -14.409 . . . 1.0 . . . . . . . . . . . . A . 23 ASP OD2 . . . . . . . . . rr_1k3h 1 . 1 . 31 . 1 1 3 ALA C C 3.955 1.074 -8.262 . . . 1.0 . . . . . . . . . . . . A . 24 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 32 . 1 1 3 ALA CA C 5.380 1.324 -7.769 . . . 1.0 . . . . . . . . . . . . A . 24 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 33 . 1 1 3 ALA CB C 5.486 2.728 -7.175 . . . 1.0 . . . . . . . . . . . . A . 24 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 34 . 1 1 3 ALA H H 7.110 1.863 -8.878 . . . 1.0 . . . . . . . . . . . . A . 24 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 35 . 1 1 3 ALA HA H 5.626 0.593 -6.998 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 36 . 1 1 3 ALA HB1 H 5.318 3.481 -7.946 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 37 . 1 1 3 ALA HB2 H 4.727 2.842 -6.404 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 38 . 1 1 3 ALA HB3 H 6.472 2.881 -6.740 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 39 . 1 1 3 ALA N N 6.343 1.206 -8.852 . . . 1.0 . . . . . . . . . . . . A . 24 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 40 . 1 1 3 ALA O O 3.222 0.263 -7.700 . . . 1.0 . . . . . . . . . . . . A . 24 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 41 . 1 1 4 GLU C C 1.925 0.286 -10.342 . . . 1.0 . . . . . . . . . . . . A . 25 GLU C . . . . . . . . . rr_1k3h 1 . 1 . 42 . 1 1 4 GLU CA C 2.221 1.707 -9.856 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CA . . . . . . . . . rr_1k3h 1 . 1 . 43 . 1 1 4 GLU CB C 1.982 2.773 -10.942 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CB . . . . . . . . . rr_1k3h 1 . 1 . 44 . 1 1 4 GLU CD C 2.524 5.107 -11.737 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CD . . . . . . . . . rr_1k3h 1 . 1 . 45 . 1 1 4 GLU CG C 3.052 3.877 -11.012 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CG . . . . . . . . . rr_1k3h 1 . 1 . 46 . 1 1 4 GLU H H 4.221 2.414 -9.756 . . . 1.0 . . . . . . . . . . . . A . 25 GLU H . . . . . . . . . rr_1k3h 1 . 1 . 47 . 1 1 4 GLU HA H 1.543 1.933 -9.031 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HA . . . . . . . . . rr_1k3h 1 . 1 . 48 . 1 1 4 GLU HB2 H 1.905 2.310 -11.926 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 49 . 1 1 4 GLU HB3 H 1.020 3.243 -10.735 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 50 . 1 1 4 GLU HG2 H 3.346 4.196 -10.016 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HG2 . . . . . . . . . rr_1k3h 1 . 1 . 51 . 1 1 4 GLU HG3 H 3.926 3.511 -11.551 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HG3 . . . . . . . . . rr_1k3h 1 . 1 . 52 . 1 1 4 GLU N N 3.569 1.777 -9.326 . . . 1.0 . . . . . . . . . . . . A . 25 GLU N . . . . . . . . . rr_1k3h 1 . 1 . 53 . 1 1 4 GLU O O 0.887 -0.277 -10.007 . . . 1.0 . . . . . . . . . . . . A . 25 GLU O . . . . . . . . . rr_1k3h 1 . 1 . 54 . 1 1 4 GLU OE1 O 2.124 4.942 -12.908 . . . 1.0 . . . . . . . . . . . . A . 25 GLU OE1 . . . . . . . . . rr_1k3h 1 . 1 . 55 . 1 1 4 GLU OE2 O 2.511 6.180 -11.092 . . . 1.0 . . . . . . . . . . . . A . 25 GLU OE2 . . . . . . . . . rr_1k3h 1 . 1 . 56 . 1 1 5 ALA C C 2.518 -2.660 -10.444 . . . 1.0 . . . . . . . . . . . . A . 26 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 57 . 1 1 5 ALA CA C 2.693 -1.676 -11.601 . . . 1.0 . . . . . . . . . . . . A . 26 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 58 . 1 1 5 ALA CB C 3.893 -2.068 -12.464 . . . 1.0 . . . . . . . . . . . . A . 26 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 59 . 1 1 5 ALA H H 3.716 0.169 -11.278 . . . 1.0 . . . . . . . . . . . . A . 26 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 60 . 1 1 5 ALA HA H 1.803 -1.711 -12.231 . . . 1.0 . . . . . . . . . . . . A . 26 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 61 . 1 1 5 ALA HB1 H 4.785 -2.147 -11.845 . . . 1.0 . . . . . . . . . . . . A . 26 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 62 . 1 1 5 ALA HB2 H 3.706 -3.039 -12.925 . . . 1.0 . . . . . . . . . . . . A . 26 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 63 . 1 1 5 ALA HB3 H 4.054 -1.327 -13.248 . . . 1.0 . . . . . . . . . . . . A . 26 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 64 . 1 1 5 ALA N N 2.847 -0.315 -11.101 . . . 1.0 . . . . . . . . . . . . A . 26 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 65 . 1 1 5 ALA O O 1.623 -3.503 -10.466 . . . 1.0 . . . . . . . . . . . . A . 26 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 66 . 1 1 6 VAL C C 1.846 -3.185 -7.629 . . . 1.0 . . . . . . . . . . . . A . 27 VAL C . . . . . . . . . rr_1k3h 1 . 1 . 67 . 1 1 6 VAL CA C 3.239 -3.362 -8.220 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CA . . . . . . . . . rr_1k3h 1 . 1 . 68 . 1 1 6 VAL CB C 4.324 -2.978 -7.201 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CB . . . . . . . . . rr_1k3h 1 . 1 . 69 . 1 1 6 VAL CG1 C 4.075 -3.625 -5.832 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CG1 . . . . . . . . . rr_1k3h 1 . 1 . 70 . 1 1 6 VAL CG2 C 5.702 -3.412 -7.707 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CG2 . . . . . . . . . rr_1k3h 1 . 1 . 71 . 1 1 6 VAL H H 4.091 -1.834 -9.460 . . . 1.0 . . . . . . . . . . . . A . 27 VAL H . . . . . . . . . rr_1k3h 1 . 1 . 72 . 1 1 6 VAL HA H 3.336 -4.415 -8.501 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HA . . . . . . . . . rr_1k3h 1 . 1 . 73 . 1 1 6 VAL HB H 4.331 -1.898 -7.064 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HB . . . . . . . . . rr_1k3h 1 . 1 . 74 . 1 1 6 VAL HG11 H 4.818 -3.272 -5.120 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG11 . . . . . . . . . rr_1k3h 1 . 1 . 75 . 1 1 6 VAL HG12 H 3.094 -3.378 -5.429 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG12 . . . . . . . . . rr_1k3h 1 . 1 . 76 . 1 1 6 VAL HG13 H 4.158 -4.701 -5.939 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG13 . . . . . . . . . rr_1k3h 1 . 1 . 77 . 1 1 6 VAL HG21 H 6.460 -3.072 -7.001 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG21 . . . . . . . . . rr_1k3h 1 . 1 . 78 . 1 1 6 VAL HG22 H 5.746 -4.498 -7.789 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG22 . . . . . . . . . rr_1k3h 1 . 1 . 79 . 1 1 6 VAL HG23 H 5.911 -2.979 -8.683 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG23 . . . . . . . . . rr_1k3h 1 . 1 . 80 . 1 1 6 VAL N N 3.366 -2.547 -9.418 . . . 1.0 . . . . . . . . . . . . A . 27 VAL N . . . . . . . . . rr_1k3h 1 . 1 . 81 . 1 1 6 VAL O O 1.141 -4.164 -7.410 . . . 1.0 . . . . . . . . . . . . A . 27 VAL O . . . . . . . . . rr_1k3h 1 . 1 . 82 . 1 1 7 VAL C C -0.975 -2.277 -7.545 . . . 1.0 . . . . . . . . . . . . A . 28 VAL C . . . . . . . . . rr_1k3h 1 . 1 . 83 . 1 1 7 VAL CA C 0.160 -1.628 -6.756 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CA . . . . . . . . . rr_1k3h 1 . 1 . 84 . 1 1 7 VAL CB C 0.054 -0.101 -6.625 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CB . . . . . . . . . rr_1k3h 1 . 1 . 85 . 1 1 7 VAL CG1 C -1.364 0.420 -6.395 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CG1 . . . . . . . . . rr_1k3h 1 . 1 . 86 . 1 1 7 VAL CG2 C 0.949 0.332 -5.460 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CG2 . . . . . . . . . rr_1k3h 1 . 1 . 87 . 1 1 7 VAL H H 2.077 -1.174 -7.573 . . . 1.0 . . . . . . . . . . . . A . 28 VAL H . . . . . . . . . rr_1k3h 1 . 1 . 88 . 1 1 7 VAL HA H 0.143 -2.074 -5.769 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HA . . . . . . . . . rr_1k3h 1 . 1 . 89 . 1 1 7 VAL HB H 0.422 0.357 -7.542 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HB . . . . . . . . . rr_1k3h 1 . 1 . 90 . 1 1 7 VAL HG11 H -1.346 1.506 -6.373 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG11 . . . . . . . . . rr_1k3h 1 . 1 . 91 . 1 1 7 VAL HG12 H -2.026 0.113 -7.201 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG12 . . . . . . . . . rr_1k3h 1 . 1 . 92 . 1 1 7 VAL HG13 H -1.749 0.063 -5.444 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG13 . . . . . . . . . rr_1k3h 1 . 1 . 93 . 1 1 7 VAL HG21 H 1.816 -0.315 -5.404 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG21 . . . . . . . . . rr_1k3h 1 . 1 . 94 . 1 1 7 VAL HG22 H 1.300 1.348 -5.608 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG22 . . . . . . . . . rr_1k3h 1 . 1 . 95 . 1 1 7 VAL HG23 H 0.411 0.268 -4.515 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG23 . . . . . . . . . rr_1k3h 1 . 1 . 96 . 1 1 7 VAL N N 1.448 -1.943 -7.358 . . . 1.0 . . . . . . . . . . . . A . 28 VAL N . . . . . . . . . rr_1k3h 1 . 1 . 97 . 1 1 7 VAL O O -1.819 -2.975 -6.968 . . . 1.0 . . . . . . . . . . . . A . 28 VAL O . . . . . . . . . rr_1k3h 1 . 1 . 98 . 1 1 8 GLN C C -1.890 -4.213 -9.745 . . . 1.0 . . . . . . . . . . . . A . 29 GLN C . . . . . . . . . rr_1k3h 1 . 1 . 99 . 1 1 8 GLN CA C -1.832 -2.684 -9.838 . . . 1.0 . . . . . . . . . . . . A . 29 GLN CA . . . . . . . . . rr_1k3h 1 . 1 . 100 . 1 1 8 GLN CB C -1.460 -2.231 -11.254 . . . 1.0 . . . . . . . . . . . . A . 29 GLN CB . . . . . . . . . rr_1k3h 1 . 1 . 101 . 1 1 8 GLN CD C -3.291 -0.521 -11.747 . . . 1.0 . . . . . . . . . . . . A . 29 GLN CD . . . . . . . . . rr_1k3h 1 . 1 . 102 . 1 1 8 GLN CG C -1.799 -0.755 -11.519 . . . 1.0 . . . . . . . . . . . . A . 29 GLN CG . . . . . . . . . rr_1k3h 1 . 1 . 103 . 1 1 8 GLN H H -0.180 -1.510 -9.229 . . . 1.0 . . . . . . . . . . . . A . 29 GLN H . . . . . . . . . rr_1k3h 1 . 1 . 104 . 1 1 8 GLN HA H -2.827 -2.309 -9.641 . . . 1.0 . . . . . . . . . . . . A . 29 GLN HA . . . . . . . . . rr_1k3h 1 . 1 . 105 . 1 1 8 GLN HB2 H -0.394 -2.379 -11.409 . . . 1.0 . . . . . . . . . . . . A . 29 GLN HB2 . . . . . . . . . rr_1k3h 1 . 1 . 106 . 1 1 8 GLN HB3 H -1.992 -2.864 -11.966 . . . 1.0 . . . . . . . . . . . . A . 29 GLN HB3 . . . . . . . . . rr_1k3h 1 . 1 . 107 . 1 1 8 GLN HE21 H -3.558 0.233 -9.869 . . . 1.0 . . . . . . . . . . . . A . 29 GLN HE21 . . . . . . . . . rr_1k3h 1 . 1 . 108 . 1 1 8 GLN HE22 H -4.976 0.208 -10.883 . . . 1.0 . . . . . . . . . . . . A . 29 GLN HE22 . . . . . . . . . rr_1k3h 1 . 1 . 109 . 1 1 8 GLN HG2 H -1.460 -0.126 -10.698 . . . 1.0 . . . . . . . . . . . . A . 29 GLN HG2 . . . . . . . . . rr_1k3h 1 . 1 . 110 . 1 1 8 GLN HG3 H -1.272 -0.442 -12.421 . . . 1.0 . . . . . . . . . . . . A . 29 GLN HG3 . . . . . . . . . rr_1k3h 1 . 1 . 111 . 1 1 8 GLN N N -0.933 -2.086 -8.866 . . . 1.0 . . . . . . . . . . . . A . 29 GLN N . . . . . . . . . rr_1k3h 1 . 1 . 112 . 1 1 8 GLN NE2 N -3.997 -0.003 -10.744 . . . 1.0 . . . . . . . . . . . . A . 29 GLN NE2 . . . . . . . . . rr_1k3h 1 . 1 . 113 . 1 1 8 GLN O O -2.872 -4.795 -10.202 . . . 1.0 . . . . . . . . . . . . A . 29 GLN O . . . . . . . . . rr_1k3h 1 . 1 . 114 . 1 1 8 GLN OE1 O -3.804 -0.792 -12.827 . . . 1.0 . . . . . . . . . . . . A . 29 GLN OE1 . . . . . . . . . rr_1k3h 1 . 1 . 115 . 1 1 9 GLN C C -0.434 -6.737 -7.562 . . . 1.0 . . . . . . . . . . . . A . 30 GLN C . . . . . . . . . rr_1k3h 1 . 1 . 116 . 1 1 9 GLN CA C -0.899 -6.315 -8.956 . . . 1.0 . . . . . . . . . . . . A . 30 GLN CA . . . . . . . . . rr_1k3h 1 . 1 . 117 . 1 1 9 GLN CB C -0.135 -7.027 -10.088 . . . 1.0 . . . . . . . . . . . . A . 30 GLN CB . . . . . . . . . rr_1k3h 1 . 1 . 118 . 1 1 9 GLN CD C -0.587 -8.668 -11.963 . . . 1.0 . . . . . . . . . . . . A . 30 GLN CD . . . . . . . . . rr_1k3h 1 . 1 . 119 . 1 1 9 GLN CG C -1.148 -7.541 -11.105 . . . 1.0 . . . . . . . . . . . . A . 30 GLN CG . . . . . . . . . rr_1k3h 1 . 1 . 120 . 1 1 9 GLN H H -0.072 -4.364 -8.825 . . . 1.0 . . . . . . . . . . . . A . 30 GLN H . . . . . . . . . rr_1k3h 1 . 1 . 121 . 1 1 9 GLN HA H -1.944 -6.620 -8.960 . . . 1.0 . . . . . . . . . . . . A . 30 GLN HA . . . . . . . . . rr_1k3h 1 . 1 . 122 . 1 1 9 GLN HB2 H 0.567 -6.345 -10.573 . . . 1.0 . . . . . . . . . . . . A . 30 GLN HB2 . . . . . . . . . rr_1k3h 1 . 1 . 123 . 1 1 9 GLN HB3 H 0.433 -7.881 -9.722 . . . 1.0 . . . . . . . . . . . . A . 30 GLN HB3 . . . . . . . . . rr_1k3h 1 . 1 . 124 . 1 1 9 GLN HE21 H -0.637 -9.957 -10.388 . . . 1.0 . . . . . . . . . . . . A . 30 GLN HE21 . . . . . . . . . rr_1k3h 1 . 1 . 125 . 1 1 9 GLN HE22 H -0.058 -10.616 -11.910 . . . 1.0 . . . . . . . . . . . . A . 30 GLN HE22 . . . . . . . . . rr_1k3h 1 . 1 . 126 . 1 1 9 GLN HG2 H -2.007 -7.945 -10.572 . . . 1.0 . . . . . . . . . . . . A . 30 GLN HG2 . . . . . . . . . rr_1k3h 1 . 1 . 127 . 1 1 9 GLN HG3 H -1.464 -6.695 -11.712 . . . 1.0 . . . . . . . . . . . . A . 30 GLN HG3 . . . . . . . . . rr_1k3h 1 . 1 . 128 . 1 1 9 GLN N N -0.882 -4.874 -9.164 . . . 1.0 . . . . . . . . . . . . A . 30 GLN N . . . . . . . . . rr_1k3h 1 . 1 . 129 . 1 1 9 GLN NE2 N -0.416 -9.846 -11.366 . . . 1.0 . . . . . . . . . . . . A . 30 GLN NE2 . . . . . . . . . rr_1k3h 1 . 1 . 130 . 1 1 9 GLN O O 0.247 -7.748 -7.404 . . . 1.0 . . . . . . . . . . . . A . 30 GLN O . . . . . . . . . rr_1k3h 1 . 1 . 131 . 1 1 9 GLN OE1 O -0.322 -8.496 -13.147 . . . 1.0 . . . . . . . . . . . . A . 30 GLN OE1 . . . . . . . . . rr_1k3h 1 . 1 . 132 . 1 1 10 LYS C C -1.690 -5.694 -4.248 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . rr_1k3h 1 . 1 . 133 . 1 1 10 LYS CA C -0.720 -6.444 -5.150 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . rr_1k3h 1 . 1 . 134 . 1 1 10 LYS CB C 0.728 -6.255 -4.658 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . rr_1k3h 1 . 1 . 135 . 1 1 10 LYS CD C 2.859 -7.231 -5.618 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . rr_1k3h 1 . 1 . 136 . 1 1 10 LYS CE C 3.623 -8.503 -6.010 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . rr_1k3h 1 . 1 . 137 . 1 1 10 LYS CG C 1.618 -7.512 -4.760 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . rr_1k3h 1 . 1 . 138 . 1 1 10 LYS H H -1.406 -5.177 -6.743 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . rr_1k3h 1 . 1 . 139 . 1 1 10 LYS HA H -0.998 -7.497 -5.072 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . rr_1k3h 1 . 1 . 140 . 1 1 10 LYS HB2 H 1.167 -5.427 -5.208 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . rr_1k3h 1 . 1 . 141 . 1 1 10 LYS HB3 H 0.700 -5.971 -3.609 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . rr_1k3h 1 . 1 . 142 . 1 1 10 LYS HD2 H 2.533 -6.742 -6.540 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . rr_1k3h 1 . 1 . 143 . 1 1 10 LYS HD3 H 3.521 -6.554 -5.080 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . rr_1k3h 1 . 1 . 144 . 1 1 10 LYS HE2 H 2.921 -9.316 -6.202 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . rr_1k3h 1 . 1 . 145 . 1 1 10 LYS HE3 H 4.153 -8.301 -6.944 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . rr_1k3h 1 . 1 . 146 . 1 1 10 LYS HG2 H 1.930 -7.816 -3.760 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . rr_1k3h 1 . 1 . 147 . 1 1 10 LYS HG3 H 1.052 -8.336 -5.194 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . rr_1k3h 1 . 1 . 148 . 1 1 10 LYS HZ1 H 4.242 -8.980 -4.070 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . rr_1k3h 1 . 1 . 149 . 1 1 10 LYS HZ2 H 5.058 -9.772 -5.274 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . rr_1k3h 1 . 1 . 150 . 1 1 10 LYS HZ3 H 5.388 -8.215 -4.988 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . rr_1k3h 1 . 1 . 151 . 1 1 10 LYS N N -0.881 -6.017 -6.534 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . rr_1k3h 1 . 1 . 152 . 1 1 10 LYS NZ N 4.630 -8.902 -5.000 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . rr_1k3h 1 . 1 . 153 . 1 1 10 LYS O O -2.254 -6.299 -3.344 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . rr_1k3h 1 . 1 . 154 . 1 1 11 CYS C C -4.092 -3.514 -3.969 . . . 1.0 . . . . . . . . . . . . A . 32 CYS C . . . . . . . . . rr_1k3h 1 . 1 . 155 . 1 1 11 CYS CA C -2.642 -3.579 -3.514 . . . 1.0 . . . . . . . . . . . . A . 32 CYS CA . . . . . . . . . rr_1k3h 1 . 1 . 156 . 1 1 11 CYS CB C -2.022 -2.192 -3.338 . . . 1.0 . . . . . . . . . . . . A . 32 CYS CB . . . . . . . . . rr_1k3h 1 . 1 . 157 . 1 1 11 CYS H H -1.410 -3.909 -5.214 . . . 1.0 . . . . . . . . . . . . A . 32 CYS H . . . . . . . . . rr_1k3h 1 . 1 . 158 . 1 1 11 CYS HA H -2.661 -4.042 -2.542 . . . 1.0 . . . . . . . . . . . . A . 32 CYS HA . . . . . . . . . rr_1k3h 1 . 1 . 159 . 1 1 11 CYS HB2 H -2.271 -1.595 -4.209 . . . 1.0 . . . . . . . . . . . . A . 32 CYS HB2 . . . . . . . . . rr_1k3h 1 . 1 . 160 . 1 1 11 CYS HB3 H -2.470 -1.727 -2.460 . . . 1.0 . . . . . . . . . . . . A . 32 CYS HB3 . . . . . . . . . rr_1k3h 1 . 1 . 161 . 1 1 11 CYS N N -1.853 -4.382 -4.435 . . . 1.0 . . . . . . . . . . . . A . 32 CYS N . . . . . . . . . rr_1k3h 1 . 1 . 162 . 1 1 11 CYS O O -5.017 -3.780 -3.192 . . . 1.0 . . . . . . . . . . . . A . 32 CYS O . . . . . . . . . rr_1k3h 1 . 1 . 163 . 1 1 11 CYS SG S -0.207 -2.221 -3.172 . . . 1.0 . . . . . . . . . . . . A . 32 CYS SG . . . . . . . . . rr_1k3h 1 . 1 . 164 . 1 1 12 ILE C C -6.500 -4.187 -5.631 . . . 1.0 . . . . . . . . . . . . A . 33 ILE C . . . . . . . . . rr_1k3h 1 . 1 . 165 . 1 1 12 ILE CA C -5.614 -2.957 -5.796 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CA . . . . . . . . . rr_1k3h 1 . 1 . 166 . 1 1 12 ILE CB C -5.539 -2.472 -7.249 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CB . . . . . . . . . rr_1k3h 1 . 1 . 167 . 1 1 12 ILE CD1 C -6.017 -4.514 -8.793 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CD1 . . . . . . . . . rr_1k3h 1 . 1 . 168 . 1 1 12 ILE CG1 C -5.005 -3.489 -8.274 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CG1 . . . . . . . . . rr_1k3h 1 . 1 . 169 . 1 1 12 ILE CG2 C -4.731 -1.161 -7.303 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CG2 . . . . . . . . . rr_1k3h 1 . 1 . 170 . 1 1 12 ILE H H -3.472 -3.000 -5.833 . . . 1.0 . . . . . . . . . . . . A . 33 ILE H . . . . . . . . . rr_1k3h 1 . 1 . 171 . 1 1 12 ILE HA H -6.071 -2.157 -5.206 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HA . . . . . . . . . rr_1k3h 1 . 1 . 172 . 1 1 12 ILE HB H -6.556 -2.247 -7.550 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HB . . . . . . . . . rr_1k3h 1 . 1 . 173 . 1 1 12 ILE HD11 H -6.906 -4.002 -9.161 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HD11 . . . . . . . . . rr_1k3h 1 . 1 . 174 . 1 1 12 ILE HD12 H -5.557 -5.051 -9.624 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HD12 . . . . . . . . . rr_1k3h 1 . 1 . 175 . 1 1 12 ILE HD13 H -6.302 -5.243 -8.042 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HD13 . . . . . . . . . rr_1k3h 1 . 1 . 176 . 1 1 12 ILE HG12 H -4.754 -2.929 -9.170 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG12 . . . . . . . . . rr_1k3h 1 . 1 . 177 . 1 1 12 ILE HG13 H -4.116 -3.992 -7.893 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG13 . . . . . . . . . rr_1k3h 1 . 1 . 178 . 1 1 12 ILE HG21 H -3.878 -1.247 -7.970 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG21 . . . . . . . . . rr_1k3h 1 . 1 . 179 . 1 1 12 ILE HG22 H -5.367 -0.356 -7.661 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG22 . . . . . . . . . rr_1k3h 1 . 1 . 180 . 1 1 12 ILE HG23 H -4.361 -0.877 -6.319 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG23 . . . . . . . . . rr_1k3h 1 . 1 . 181 . 1 1 12 ILE N N -4.284 -3.177 -5.246 . . . 1.0 . . . . . . . . . . . . A . 33 ILE N . . . . . . . . . rr_1k3h 1 . 1 . 182 . 1 1 12 ILE O O -7.718 -4.057 -5.527 . . . 1.0 . . . . . . . . . . . . A . 33 ILE O . . . . . . . . . rr_1k3h 1 . 1 . 183 . 1 1 13 SER C C -7.537 -6.523 -4.124 . . . 1.0 . . . . . . . . . . . . A . 34 SER C . . . . . . . . . rr_1k3h 1 . 1 . 184 . 1 1 13 SER CA C -6.486 -6.641 -5.232 . . . 1.0 . . . . . . . . . . . . A . 34 SER CA . . . . . . . . . rr_1k3h 1 . 1 . 185 . 1 1 13 SER CB C -5.359 -7.598 -4.836 . . . 1.0 . . . . . . . . . . . . A . 34 SER CB . . . . . . . . . rr_1k3h 1 . 1 . 186 . 1 1 13 SER H H -4.872 -5.401 -5.688 . . . 1.0 . . . . . . . . . . . . A . 34 SER H . . . . . . . . . rr_1k3h 1 . 1 . 187 . 1 1 13 SER HA H -6.970 -7.022 -6.133 . . . 1.0 . . . . . . . . . . . . A . 34 SER HA . . . . . . . . . rr_1k3h 1 . 1 . 188 . 1 1 13 SER HB2 H -4.981 -7.330 -3.849 . . . 1.0 . . . . . . . . . . . . A . 34 SER HB2 . . . . . . . . . rr_1k3h 1 . 1 . 189 . 1 1 13 SER HB3 H -5.734 -8.622 -4.799 . . . 1.0 . . . . . . . . . . . . A . 34 SER HB3 . . . . . . . . . rr_1k3h 1 . 1 . 190 . 1 1 13 SER HG H -4.587 -7.824 -6.616 . . . 1.0 . . . . . . . . . . . . A . 34 SER HG . . . . . . . . . rr_1k3h 1 . 1 . 191 . 1 1 13 SER N N -5.874 -5.367 -5.554 . . . 1.0 . . . . . . . . . . . . A . 34 SER N . . . . . . . . . rr_1k3h 1 . 1 . 192 . 1 1 13 SER O O -8.558 -7.202 -4.191 . . . 1.0 . . . . . . . . . . . . A . 34 SER O . . . . . . . . . rr_1k3h 1 . 1 . 193 . 1 1 13 SER OG O -4.297 -7.475 -5.769 . . . 1.0 . . . . . . . . . . . . A . 34 SER OG . . . . . . . . . rr_1k3h 1 . 1 . 194 . 1 1 14 CYS C C -8.635 -3.897 -2.041 . . . 1.0 . . . . . . . . . . . . A . 35 CYS C . . . . . . . . . rr_1k3h 1 . 1 . 195 . 1 1 14 CYS CA C -8.245 -5.375 -2.063 . . . 1.0 . . . . . . . . . . . . A . 35 CYS CA . . . . . . . . . rr_1k3h 1 . 1 . 196 . 1 1 14 CYS CB C -7.657 -5.738 -0.705 . . . 1.0 . . . . . . . . . . . . A . 35 CYS CB . . . . . . . . . rr_1k3h 1 . 1 . 197 . 1 1 14 CYS H H -6.409 -5.158 -3.135 . . . 1.0 . . . . . . . . . . . . A . 35 CYS H . . . . . . . . . rr_1k3h 1 . 1 . 198 . 1 1 14 CYS HA H -9.152 -5.959 -2.210 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HA . . . . . . . . . rr_1k3h 1 . 1 . 199 . 1 1 14 CYS HB2 H -6.852 -5.034 -0.505 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HB2 . . . . . . . . . rr_1k3h 1 . 1 . 200 . 1 1 14 CYS HB3 H -8.426 -5.626 0.058 . . . 1.0 . . . . . . . . . . . . A . 35 CYS HB3 . . . . . . . . . rr_1k3h 1 . 1 . 201 . 1 1 14 CYS N N -7.283 -5.673 -3.120 . . . 1.0 . . . . . . . . . . . . A . 35 CYS N . . . . . . . . . rr_1k3h 1 . 1 . 202 . 1 1 14 CYS O O -9.788 -3.569 -1.767 . . . 1.0 . . . . . . . . . . . . A . 35 CYS O . . . . . . . . . rr_1k3h 1 . 1 . 203 . 1 1 14 CYS SG S -7.057 -7.446 -0.671 . . . 1.0 . . . . . . . . . . . . A . 35 CYS SG . . . . . . . . . rr_1k3h 1 . 1 . 204 . 1 1 15 HIS C C -8.620 -0.985 -3.385 . . . 1.0 . . . . . . . . . . . . A . 36 HIS C . . . . . . . . . rr_1k3h 1 . 1 . 205 . 1 1 15 HIS CA C -7.867 -1.563 -2.178 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CA . . . . . . . . . rr_1k3h 1 . 1 . 206 . 1 1 15 HIS CB C -6.498 -0.910 -1.954 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CB . . . . . . . . . rr_1k3h 1 . 1 . 207 . 1 1 15 HIS CD2 C -5.000 -1.942 -0.109 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CD2 . . . . . . . . . rr_1k3h 1 . 1 . 208 . 1 1 15 HIS CE1 C -5.811 -0.882 1.634 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CE1 . . . . . . . . . rr_1k3h 1 . 1 . 209 . 1 1 15 HIS CG C -6.002 -1.115 -0.541 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CG . . . . . . . . . rr_1k3h 1 . 1 . 210 . 1 1 15 HIS H H -6.726 -3.327 -2.454 . . . 1.0 . . . . . . . . . . . . A . 36 HIS H . . . . . . . . . rr_1k3h 1 . 1 . 211 . 1 1 15 HIS HA H -8.492 -1.337 -1.312 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HA . . . . . . . . . rr_1k3h 1 . 1 . 212 . 1 1 15 HIS HB2 H -5.772 -1.293 -2.672 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HB2 . . . . . . . . . rr_1k3h 1 . 1 . 213 . 1 1 15 HIS HB3 H -6.593 0.160 -2.130 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HB3 . . . . . . . . . rr_1k3h 1 . 1 . 214 . 1 1 15 HIS HD1 H -7.250 0.215 0.566 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HD1 . . . . . . . . . rr_1k3h 1 . 1 . 215 . 1 1 15 HIS HD2 H -4.405 -2.584 -0.743 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HD2 . . . . . . . . . rr_1k3h 1 . 1 . 216 . 1 1 15 HIS HE1 H -5.980 -0.516 2.636 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HE1 . . . . . . . . . rr_1k3h 1 . 1 . 217 . 1 1 15 HIS N N -7.669 -3.003 -2.270 . . . 1.0 . . . . . . . . . . . . A . 36 HIS N . . . . . . . . . rr_1k3h 1 . 1 . 218 . 1 1 15 HIS ND1 N -6.503 -0.471 0.561 . . . 1.0 . . . . . . . . . . . . A . 36 HIS ND1 . . . . . . . . . rr_1k3h 1 . 1 . 219 . 1 1 15 HIS NE2 N -4.880 -1.781 1.284 . . . 1.0 . . . . . . . . . . . . A . 36 HIS NE2 . . . . . . . . . rr_1k3h 1 . 1 . 220 . 1 1 15 HIS O O -8.958 0.202 -3.389 . . . 1.0 . . . . . . . . . . . . A . 36 HIS O . . . . . . . . . rr_1k3h 1 . 1 . 221 . 1 1 16 GLY C C -8.635 -0.802 -6.577 . . . 1.0 . . . . . . . . . . . . A . 37 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 222 . 1 1 16 GLY CA C -9.615 -1.420 -5.589 . . . 1.0 . . . . . . . . . . . . A . 37 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 223 . 1 1 16 GLY H H -8.538 -2.762 -4.382 . . . 1.0 . . . . . . . . . . . . A . 37 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 224 . 1 1 16 GLY HA2 H -10.067 -2.310 -6.027 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 225 . 1 1 16 GLY HA3 H -10.402 -0.700 -5.357 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 226 . 1 1 16 GLY N N -8.909 -1.818 -4.389 . . . 1.0 . . . . . . . . . . . . A . 37 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 227 . 1 1 16 GLY O O -7.642 -0.198 -6.169 . . . 1.0 . . . . . . . . . . . . A . 37 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 228 . 1 1 17 GLY C C -7.642 1.018 -8.727 . . . 1.0 . . . . . . . . . . . . A . 38 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 229 . 1 1 17 GLY CA C -8.152 -0.398 -8.988 . . . 1.0 . . . . . . . . . . . . A . 38 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 230 . 1 1 17 GLY H H -9.762 -1.459 -8.117 . . . 1.0 . . . . . . . . . . . . A . 38 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 231 . 1 1 17 GLY HA2 H -7.311 -1.047 -9.227 . . . 1.0 . . . . . . . . . . . . A . 38 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 232 . 1 1 17 GLY HA3 H -8.798 -0.356 -9.865 . . . 1.0 . . . . . . . . . . . . A . 38 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 233 . 1 1 17 GLY N N -8.930 -0.943 -7.876 . . . 1.0 . . . . . . . . . . . . A . 38 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 234 . 1 1 17 GLY O O -6.540 1.367 -9.152 . . . 1.0 . . . . . . . . . . . . A . 38 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 235 . 1 1 18 ASP C C -7.763 3.581 -6.450 . . . 1.0 . . . . . . . . . . . . A . 39 ASP C . . . . . . . . . rr_1k3h 1 . 1 . 236 . 1 1 18 ASP CA C -8.267 3.231 -7.854 . . . 1.0 . . . . . . . . . . . . A . 39 ASP CA . . . . . . . . . rr_1k3h 1 . 1 . 237 . 1 1 18 ASP CB C -9.583 3.958 -8.184 . . . 1.0 . . . . . . . . . . . . A . 39 ASP CB . . . . . . . . . rr_1k3h 1 . 1 . 238 . 1 1 18 ASP CG C -9.972 3.937 -9.660 . . . 1.0 . . . . . . . . . . . . A . 39 ASP CG . . . . . . . . . rr_1k3h 1 . 1 . 239 . 1 1 18 ASP H H -9.308 1.415 -7.653 . . . 1.0 . . . . . . . . . . . . A . 39 ASP H . . . . . . . . . rr_1k3h 1 . 1 . 240 . 1 1 18 ASP HA H -7.514 3.594 -8.556 . . . 1.0 . . . . . . . . . . . . A . 39 ASP HA . . . . . . . . . rr_1k3h 1 . 1 . 241 . 1 1 18 ASP HB2 H -10.400 3.525 -7.614 . . . 1.0 . . . . . . . . . . . . A . 39 ASP HB2 . . . . . . . . . rr_1k3h 1 . 1 . 242 . 1 1 18 ASP HB3 H -9.484 5.008 -7.909 . . . 1.0 . . . . . . . . . . . . A . 39 ASP HB3 . . . . . . . . . rr_1k3h 1 . 1 . 243 . 1 1 18 ASP N N -8.456 1.807 -8.019 . . . 1.0 . . . . . . . . . . . . A . 39 ASP N . . . . . . . . . rr_1k3h 1 . 1 . 244 . 1 1 18 ASP O O -7.583 4.768 -6.188 . . . 1.0 . . . . . . . . . . . . A . 39 ASP O . . . . . . . . . rr_1k3h 1 . 1 . 245 . 1 1 18 ASP OD1 O -9.417 3.105 -10.410 . . . 1.0 . . . . . . . . . . . . A . 39 ASP OD1 . . . . . . . . . rr_1k3h 1 . 1 . 246 . 1 1 18 ASP OD2 O -10.853 4.752 -10.008 . . . 1.0 . . . . . . . . . . . . A . 39 ASP OD2 . . . . . . . . . rr_1k3h 1 . 1 . 247 . 1 1 19 LEU C C -8.031 3.659 -3.337 . . . 1.0 . . . . . . . . . . . . A . 40 LEU C . . . . . . . . . rr_1k3h 1 . 1 . 248 . 1 1 19 LEU CA C -6.999 2.927 -4.201 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CA . . . . . . . . . rr_1k3h 1 . 1 . 249 . 1 1 19 LEU CB C -5.682 3.721 -4.290 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CB . . . . . . . . . rr_1k3h 1 . 1 . 250 . 1 1 19 LEU CD1 C -3.498 4.148 -5.428 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CD1 . . . . . . . . . rr_1k3h 1 . 1 . 251 . 1 1 19 LEU CD2 C -4.249 1.774 -5.048 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CD2 . . . . . . . . . rr_1k3h 1 . 1 . 252 . 1 1 19 LEU CG C -4.701 3.203 -5.352 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CG . . . . . . . . . rr_1k3h 1 . 1 . 253 . 1 1 19 LEU H H -7.731 1.629 -5.680 . . . 1.0 . . . . . . . . . . . . A . 40 LEU H . . . . . . . . . rr_1k3h 1 . 1 . 254 . 1 1 19 LEU HA H -6.800 1.973 -3.714 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HA . . . . . . . . . rr_1k3h 1 . 1 . 255 . 1 1 19 LEU HB2 H -5.898 4.769 -4.491 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 256 . 1 1 19 LEU HB3 H -5.196 3.688 -3.320 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 257 . 1 1 19 LEU HD11 H -2.661 3.636 -5.895 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD11 . . . . . . . . . rr_1k3h 1 . 1 . 258 . 1 1 19 LEU HD12 H -3.767 5.014 -6.033 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD12 . . . . . . . . . rr_1k3h 1 . 1 . 259 . 1 1 19 LEU HD13 H -3.203 4.481 -4.434 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD13 . . . . . . . . . rr_1k3h 1 . 1 . 260 . 1 1 19 LEU HD21 H -3.638 1.749 -4.146 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD21 . . . . . . . . . rr_1k3h 1 . 1 . 261 . 1 1 19 LEU HD22 H -5.105 1.111 -4.932 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD22 . . . . . . . . . rr_1k3h 1 . 1 . 262 . 1 1 19 LEU HD23 H -3.672 1.421 -5.897 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD23 . . . . . . . . . rr_1k3h 1 . 1 . 263 . 1 1 19 LEU HG H -5.158 3.199 -6.341 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HG . . . . . . . . . rr_1k3h 1 . 1 . 264 . 1 1 19 LEU N N -7.531 2.619 -5.530 . . . 1.0 . . . . . . . . . . . . A . 40 LEU N . . . . . . . . . rr_1k3h 1 . 1 . 265 . 1 1 19 LEU O O -7.712 4.153 -2.251 . . . 1.0 . . . . . . . . . . . . A . 40 LEU O . . . . . . . . . rr_1k3h 1 . 1 . 266 . 1 1 20 THR C C -11.079 3.426 -2.217 . . . 1.0 . . . . . . . . . . . . A . 41 THR C . . . . . . . . . rr_1k3h 1 . 1 . 267 . 1 1 20 THR CA C -10.462 4.313 -3.294 . . . 1.0 . . . . . . . . . . . . A . 41 THR CA . . . . . . . . . rr_1k3h 1 . 1 . 268 . 1 1 20 THR CB C -11.434 4.458 -4.472 . . . 1.0 . . . . . . . . . . . . A . 41 THR CB . . . . . . . . . rr_1k3h 1 . 1 . 269 . 1 1 20 THR CG2 C -11.065 5.668 -5.335 . . . 1.0 . . . . . . . . . . . . A . 41 THR CG2 . . . . . . . . . rr_1k3h 1 . 1 . 270 . 1 1 20 THR H H -9.473 3.116 -4.642 . . . 1.0 . . . . . . . . . . . . A . 41 THR H . . . . . . . . . rr_1k3h 1 . 1 . 271 . 1 1 20 THR HA H -10.229 5.292 -2.874 . . . 1.0 . . . . . . . . . . . . A . 41 THR HA . . . . . . . . . rr_1k3h 1 . 1 . 272 . 1 1 20 THR HB H -12.456 4.581 -4.106 . . . 1.0 . . . . . . . . . . . . A . 41 THR HB . . . . . . . . . rr_1k3h 1 . 1 . 273 . 1 1 20 THR HG1 H -11.978 3.351 -5.987 . . . 1.0 . . . . . . . . . . . . A . 41 THR HG1 . . . . . . . . . rr_1k3h 1 . 1 . 274 . 1 1 20 THR HG21 H -11.242 6.586 -4.776 . . . 1.0 . . . . . . . . . . . . A . 41 THR HG21 . . . . . . . . . rr_1k3h 1 . 1 . 275 . 1 1 20 THR HG22 H -10.014 5.625 -5.617 . . . 1.0 . . . . . . . . . . . . A . 41 THR HG22 . . . . . . . . . rr_1k3h 1 . 1 . 276 . 1 1 20 THR HG23 H -11.674 5.682 -6.240 . . . 1.0 . . . . . . . . . . . . A . 41 THR HG23 . . . . . . . . . rr_1k3h 1 . 1 . 277 . 1 1 20 THR N N -9.272 3.681 -3.828 . . . 1.0 . . . . . . . . . . . . A . 41 THR N . . . . . . . . . rr_1k3h 1 . 1 . 278 . 1 1 20 THR O O -11.969 3.859 -1.489 . . . 1.0 . . . . . . . . . . . . A . 41 THR O . . . . . . . . . rr_1k3h 1 . 1 . 279 . 1 1 20 THR OG1 O -11.343 3.287 -5.268 . . . 1.0 . . . . . . . . . . . . A . 41 THR OG1 . . . . . . . . . rr_1k3h 1 . 1 . 280 . 1 1 21 GLY C C -12.069 0.272 -1.960 . . . 1.0 . . . . . . . . . . . . A . 42 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 281 . 1 1 21 GLY CA C -11.091 1.177 -1.222 . . . 1.0 . . . . . . . . . . . . A . 42 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 282 . 1 1 21 GLY H H -9.975 1.865 -2.857 . . . 1.0 . . . . . . . . . . . . A . 42 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 283 . 1 1 21 GLY HA2 H -10.224 0.596 -0.910 . . . 1.0 . . . . . . . . . . . . A . 42 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 284 . 1 1 21 GLY HA3 H -11.565 1.611 -0.342 . . . 1.0 . . . . . . . . . . . . A . 42 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 285 . 1 1 21 GLY N N -10.603 2.186 -2.129 . . . 1.0 . . . . . . . . . . . . A . 42 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 286 . 1 1 21 GLY O O -12.648 0.653 -2.976 . . . 1.0 . . . . . . . . . . . . A . 42 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 287 . 1 1 22 ALA C C -13.340 -3.075 -0.997 . . . 1.0 . . . . . . . . . . . . A . 43 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 288 . 1 1 22 ALA CA C -13.108 -1.960 -2.018 . . . 1.0 . . . . . . . . . . . . A . 43 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 289 . 1 1 22 ALA CB C -12.549 -2.479 -3.353 . . . 1.0 . . . . . . . . . . . . A . 43 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 290 . 1 1 22 ALA H H -11.767 -1.093 -0.553 . . . 1.0 . . . . . . . . . . . . A . 43 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 291 . 1 1 22 ALA HA H -14.077 -1.500 -2.223 . . . 1.0 . . . . . . . . . . . . A . 43 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 292 . 1 1 22 ALA HB1 H -11.529 -2.841 -3.246 . . . 1.0 . . . . . . . . . . . . A . 43 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 293 . 1 1 22 ALA HB2 H -13.176 -3.291 -3.722 . . . 1.0 . . . . . . . . . . . . A . 43 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 294 . 1 1 22 ALA HB3 H -12.549 -1.681 -4.095 . . . 1.0 . . . . . . . . . . . . A . 43 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 295 . 1 1 22 ALA N N -12.230 -0.943 -1.444 . . . 1.0 . . . . . . . . . . . . A . 43 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 296 . 1 1 22 ALA O O -14.330 -3.048 -0.271 . . . 1.0 . . . . . . . . . . . . A . 43 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 297 . 1 1 23 SER C C -11.468 -4.518 1.326 . . . 1.0 . . . . . . . . . . . . A . 44 SER C . . . . . . . . . rr_1k3h 1 . 1 . 298 . 1 1 23 SER CA C -12.357 -5.011 0.178 . . . 1.0 . . . . . . . . . . . . A . 44 SER CA . . . . . . . . . rr_1k3h 1 . 1 . 299 . 1 1 23 SER CB C -11.846 -6.347 -0.369 . . . 1.0 . . . . . . . . . . . . A . 44 SER CB . . . . . . . . . rr_1k3h 1 . 1 . 300 . 1 1 23 SER H H -11.585 -3.957 -1.497 . . . 1.0 . . . . . . . . . . . . A . 44 SER H . . . . . . . . . rr_1k3h 1 . 1 . 301 . 1 1 23 SER HA H -13.357 -5.176 0.582 . . . 1.0 . . . . . . . . . . . . A . 44 SER HA . . . . . . . . . rr_1k3h 1 . 1 . 302 . 1 1 23 SER HB2 H -10.863 -6.207 -0.813 . . . 1.0 . . . . . . . . . . . . A . 44 SER HB2 . . . . . . . . . rr_1k3h 1 . 1 . 303 . 1 1 23 SER HB3 H -11.754 -7.067 0.447 . . . 1.0 . . . . . . . . . . . . A . 44 SER HB3 . . . . . . . . . rr_1k3h 1 . 1 . 304 . 1 1 23 SER HG H -13.586 -7.026 -0.933 . . . 1.0 . . . . . . . . . . . . A . 44 SER HG . . . . . . . . . rr_1k3h 1 . 1 . 305 . 1 1 23 SER N N -12.404 -4.022 -0.898 . . . 1.0 . . . . . . . . . . . . A . 44 SER N . . . . . . . . . rr_1k3h 1 . 1 . 306 . 1 1 23 SER O O -11.248 -5.242 2.294 . . . 1.0 . . . . . . . . . . . . A . 44 SER O . . . . . . . . . rr_1k3h 1 . 1 . 307 . 1 1 23 SER OG O -12.737 -6.849 -1.347 . . . 1.0 . . . . . . . . . . . . A . 44 SER OG . . . . . . . . . rr_1k3h 1 . 1 . 308 . 1 1 24 ALA C C -10.294 -1.162 2.068 . . . 1.0 . . . . . . . . . . . . A . 45 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 309 . 1 1 24 ALA CA C -10.017 -2.669 2.130 . . . 1.0 . . . . . . . . . . . . A . 45 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 310 . 1 1 24 ALA CB C -8.599 -3.015 1.676 . . . 1.0 . . . . . . . . . . . . A . 45 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 311 . 1 1 24 ALA H H -11.140 -2.757 0.382 . . . 1.0 . . . . . . . . . . . . A . 45 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 312 . 1 1 24 ALA HA H -10.194 -3.041 3.140 . . . 1.0 . . . . . . . . . . . . A . 45 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 313 . 1 1 24 ALA HB1 H -8.458 -2.725 0.636 . . . 1.0 . . . . . . . . . . . . A . 45 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 314 . 1 1 24 ALA HB2 H -7.856 -2.510 2.281 . . . 1.0 . . . . . . . . . . . . A . 45 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 315 . 1 1 24 ALA HB3 H -8.458 -4.091 1.764 . . . 1.0 . . . . . . . . . . . . A . 45 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 316 . 1 1 24 ALA N N -10.926 -3.306 1.200 . . . 1.0 . . . . . . . . . . . . A . 45 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 317 . 1 1 24 ALA O O -10.899 -0.722 1.087 . . . 1.0 . . . . . . . . . . . . A . 45 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 318 . 1 1 25 PRO C C -9.295 1.780 2.064 . . . 1.0 . . . . . . . . . . . . A . 46 PRO C . . . . . . . . . rr_1k3h 1 . 1 . 319 . 1 1 25 PRO CA C -10.120 1.062 3.135 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CA . . . . . . . . . rr_1k3h 1 . 1 . 320 . 1 1 25 PRO CB C -9.705 1.494 4.547 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CB . . . . . . . . . rr_1k3h 1 . 1 . 321 . 1 1 25 PRO CD C -9.223 -0.821 4.295 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CD . . . . . . . . . rr_1k3h 1 . 1 . 322 . 1 1 25 PRO CG C -8.669 0.445 4.945 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CG . . . . . . . . . rr_1k3h 1 . 1 . 323 . 1 1 25 PRO HA H -11.176 1.284 2.977 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HA . . . . . . . . . rr_1k3h 1 . 1 . 324 . 1 1 25 PRO HB2 H -9.296 2.505 4.586 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HB2 . . . . . . . . . rr_1k3h 1 . 1 . 325 . 1 1 25 PRO HB3 H -10.563 1.413 5.216 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HB3 . . . . . . . . . rr_1k3h 1 . 1 . 326 . 1 1 25 PRO HD2 H -8.406 -1.501 4.084 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HD2 . . . . . . . . . rr_1k3h 1 . 1 . 327 . 1 1 25 PRO HD3 H -9.942 -1.297 4.964 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HD3 . . . . . . . . . rr_1k3h 1 . 1 . 328 . 1 1 25 PRO HG2 H -7.706 0.696 4.497 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HG2 . . . . . . . . . rr_1k3h 1 . 1 . 329 . 1 1 25 PRO HG3 H -8.566 0.351 6.027 . . . 1.0 . . . . . . . . . . . . A . 46 PRO HG3 . . . . . . . . . rr_1k3h 1 . 1 . 330 . 1 1 25 PRO N N -9.902 -0.379 3.089 . . . 1.0 . . . . . . . . . . . . A . 46 PRO N . . . . . . . . . rr_1k3h 1 . 1 . 331 . 1 1 25 PRO O O -8.390 1.198 1.472 . . . 1.0 . . . . . . . . . . . . A . 46 PRO O . . . . . . . . . rr_1k3h 1 . 1 . 332 . 1 1 26 ALA C C -7.532 4.212 1.173 . . . 1.0 . . . . . . . . . . . . A . 47 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 333 . 1 1 26 ALA CA C -8.949 3.816 0.755 . . . 1.0 . . . . . . . . . . . . A . 47 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 334 . 1 1 26 ALA CB C -9.798 5.045 0.437 . . . 1.0 . . . . . . . . . . . . A . 47 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 335 . 1 1 26 ALA H H -10.321 3.505 2.348 . . . 1.0 . . . . . . . . . . . . A . 47 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 336 . 1 1 26 ALA HA H -8.907 3.195 -0.142 . . . 1.0 . . . . . . . . . . . . A . 47 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 337 . 1 1 26 ALA HB1 H -10.852 4.769 0.474 . . . 1.0 . . . . . . . . . . . . A . 47 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 338 . 1 1 26 ALA HB2 H -9.614 5.836 1.164 . . . 1.0 . . . . . . . . . . . . A . 47 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 339 . 1 1 26 ALA HB3 H -9.552 5.406 -0.560 . . . 1.0 . . . . . . . . . . . . A . 47 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 340 . 1 1 26 ALA N N -9.600 3.051 1.808 . . . 1.0 . . . . . . . . . . . . A . 47 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 341 . 1 1 26 ALA O O -7.348 4.803 2.235 . . . 1.0 . . . . . . . . . . . . A . 47 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 342 . 1 1 27 ILE C C -4.642 5.282 -0.411 . . . 1.0 . . . . . . . . . . . . A . 48 ILE C . . . . . . . . . rr_1k3h 1 . 1 . 343 . 1 1 27 ILE CA C -5.131 4.220 0.572 . . . 1.0 . . . . . . . . . . . . A . 48 ILE CA . . . . . . . . . rr_1k3h 1 . 1 . 344 . 1 1 27 ILE CB C -4.245 2.963 0.582 . . . 1.0 . . . . . . . . . . . . A . 48 ILE CB . . . . . . . . . rr_1k3h 1 . 1 . 345 . 1 1 27 ILE CD1 C -3.359 1.070 -0.903 . . . 1.0 . . . . . . . . . . . . A . 48 ILE CD1 . . . . . . . . . rr_1k3h 1 . 1 . 346 . 1 1 27 ILE CG1 C -4.436 2.138 -0.699 . . . 1.0 . . . . . . . . . . . . A . 48 ILE CG1 . . . . . . . . . rr_1k3h 1 . 1 . 347 . 1 1 27 ILE CG2 C -4.579 2.162 1.846 . . . 1.0 . . . . . . . . . . . . A . 48 ILE CG2 . . . . . . . . . rr_1k3h 1 . 1 . 348 . 1 1 27 ILE H H -6.794 3.525 -0.566 . . . 1.0 . . . . . . . . . . . . A . 48 ILE H . . . . . . . . . rr_1k3h 1 . 1 . 349 . 1 1 27 ILE HA H -5.019 4.686 1.552 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HA . . . . . . . . . rr_1k3h 1 . 1 . 350 . 1 1 27 ILE HB H -3.199 3.267 0.644 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HB . . . . . . . . . rr_1k3h 1 . 1 . 351 . 1 1 27 ILE HD11 H -2.400 1.550 -1.087 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HD11 . . . . . . . . . rr_1k3h 1 . 1 . 352 . 1 1 27 ILE HD12 H -3.277 0.424 -0.033 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HD12 . . . . . . . . . rr_1k3h 1 . 1 . 353 . 1 1 27 ILE HD13 H -3.618 0.460 -1.768 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HD13 . . . . . . . . . rr_1k3h 1 . 1 . 354 . 1 1 27 ILE HG12 H -5.419 1.672 -0.692 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HG12 . . . . . . . . . rr_1k3h 1 . 1 . 355 . 1 1 27 ILE HG13 H -4.374 2.804 -1.554 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HG13 . . . . . . . . . rr_1k3h 1 . 1 . 356 . 1 1 27 ILE HG21 H -4.351 2.757 2.731 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HG21 . . . . . . . . . rr_1k3h 1 . 1 . 357 . 1 1 27 ILE HG22 H -5.635 1.902 1.864 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HG22 . . . . . . . . . rr_1k3h 1 . 1 . 358 . 1 1 27 ILE HG23 H -3.987 1.255 1.882 . . . 1.0 . . . . . . . . . . . . A . 48 ILE HG23 . . . . . . . . . rr_1k3h 1 . 1 . 359 . 1 1 27 ILE N N -6.535 3.876 0.350 . . . 1.0 . . . . . . . . . . . . A . 48 ILE N . . . . . . . . . rr_1k3h 1 . 1 . 360 . 1 1 27 ILE O O -3.485 5.692 -0.328 . . . 1.0 . . . . . . . . . . . . A . 48 ILE O . . . . . . . . . rr_1k3h 1 . 1 . 361 . 1 1 28 ASP C C -4.420 7.967 -1.616 . . . 1.0 . . . . . . . . . . . . A . 49 ASP C . . . . . . . . . rr_1k3h 1 . 1 . 362 . 1 1 28 ASP CA C -5.250 6.839 -2.238 . . . 1.0 . . . . . . . . . . . . A . 49 ASP CA . . . . . . . . . rr_1k3h 1 . 1 . 363 . 1 1 28 ASP CB C -6.582 7.389 -2.753 . . . 1.0 . . . . . . . . . . . . A . 49 ASP CB . . . . . . . . . rr_1k3h 1 . 1 . 364 . 1 1 28 ASP CG C -6.345 8.661 -3.553 . . . 1.0 . . . . . . . . . . . . A . 49 ASP CG . . . . . . . . . rr_1k3h 1 . 1 . 365 . 1 1 28 ASP H H -6.432 5.313 -1.392 . . . 1.0 . . . . . . . . . . . . A . 49 ASP H . . . . . . . . . rr_1k3h 1 . 1 . 366 . 1 1 28 ASP HA H -4.695 6.442 -3.089 . . . 1.0 . . . . . . . . . . . . A . 49 ASP HA . . . . . . . . . rr_1k3h 1 . 1 . 367 . 1 1 28 ASP HB2 H -7.075 6.662 -3.398 . . . 1.0 . . . . . . . . . . . . A . 49 ASP HB2 . . . . . . . . . rr_1k3h 1 . 1 . 368 . 1 1 28 ASP HB3 H -7.240 7.615 -1.912 . . . 1.0 . . . . . . . . . . . . A . 49 ASP HB3 . . . . . . . . . rr_1k3h 1 . 1 . 369 . 1 1 28 ASP N N -5.519 5.751 -1.309 . . . 1.0 . . . . . . . . . . . . A . 49 ASP N . . . . . . . . . rr_1k3h 1 . 1 . 370 . 1 1 28 ASP O O -3.488 8.457 -2.243 . . . 1.0 . . . . . . . . . . . . A . 49 ASP O . . . . . . . . . rr_1k3h 1 . 1 . 371 . 1 1 28 ASP OD1 O -5.497 8.597 -4.480 . . . 1.0 . . . . . . . . . . . . A . 49 ASP OD1 . . . . . . . . . rr_1k3h 1 . 1 . 372 . 1 1 28 ASP OD2 O -6.989 9.666 -3.186 . . . 1.0 . . . . . . . . . . . . A . 49 ASP OD2 . . . . . . . . . rr_1k3h 1 . 1 . 373 . 1 1 29 LYS C C -3.497 8.936 1.636 . . . 1.0 . . . . . . . . . . . . A . 50 LYS C . . . . . . . . . rr_1k3h 1 . 1 . 374 . 1 1 29 LYS CA C -4.105 9.447 0.332 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CA . . . . . . . . . rr_1k3h 1 . 1 . 375 . 1 1 29 LYS CB C -5.112 10.590 0.512 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CB . . . . . . . . . rr_1k3h 1 . 1 . 376 . 1 1 29 LYS CD C -7.406 11.316 1.165 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CD . . . . . . . . . rr_1k3h 1 . 1 . 377 . 1 1 29 LYS CE C -8.607 11.018 2.078 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CE . . . . . . . . . rr_1k3h 1 . 1 . 378 . 1 1 29 LYS CG C -6.390 10.174 1.251 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CG . . . . . . . . . rr_1k3h 1 . 1 . 379 . 1 1 29 LYS H H -5.415 7.813 0.139 . . . 1.0 . . . . . . . . . . . . A . 50 LYS H . . . . . . . . . rr_1k3h 1 . 1 . 380 . 1 1 29 LYS HA H -3.273 9.827 -0.254 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HA . . . . . . . . . rr_1k3h 1 . 1 . 381 . 1 1 29 LYS HB2 H -4.637 11.413 1.048 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB2 . . . . . . . . . rr_1k3h 1 . 1 . 382 . 1 1 29 LYS HB3 H -5.385 10.945 -0.483 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB3 . . . . . . . . . rr_1k3h 1 . 1 . 383 . 1 1 29 LYS HD2 H -6.910 12.244 1.466 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD2 . . . . . . . . . rr_1k3h 1 . 1 . 384 . 1 1 29 LYS HD3 H -7.708 11.406 0.117 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD3 . . . . . . . . . rr_1k3h 1 . 1 . 385 . 1 1 29 LYS HE2 H -8.943 9.989 1.914 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE2 . . . . . . . . . rr_1k3h 1 . 1 . 386 . 1 1 29 LYS HE3 H -8.280 11.093 3.118 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE3 . . . . . . . . . rr_1k3h 1 . 1 . 387 . 1 1 29 LYS HG2 H -6.829 9.293 0.781 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG2 . . . . . . . . . rr_1k3h 1 . 1 . 388 . 1 1 29 LYS HG3 H -6.147 9.948 2.291 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG3 . . . . . . . . . rr_1k3h 1 . 1 . 389 . 1 1 29 LYS HZ1 H -10.009 12.530 1.076 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ1 . . . . . . . . . rr_1k3h 1 . 1 . 390 . 1 1 29 LYS HZ2 H -9.027 12.676 1.901 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ2 . . . . . . . . . rr_1k3h 1 . 1 . 391 . 1 1 29 LYS HZ3 H -9.977 11.292 1.139 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ3 . . . . . . . . . rr_1k3h 1 . 1 . 392 . 1 1 29 LYS N N -4.745 8.355 -0.378 . . . 1.0 . . . . . . . . . . . . A . 50 LYS N . . . . . . . . . rr_1k3h 1 . 1 . 393 . 1 1 29 LYS NZ N -9.733 11.956 1.861 . . . 1.0 . . . . . . . . . . . . A . 50 LYS NZ . . . . . . . . . rr_1k3h 1 . 1 . 394 . 1 1 29 LYS O O -3.446 9.647 2.643 . . . 1.0 . . . . . . . . . . . . A . 50 LYS O . . . . . . . . . rr_1k3h 1 . 1 . 395 . 1 1 30 ALA C C -1.070 8.135 3.023 . . . 1.0 . . . . . . . . . . . . A . 51 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 396 . 1 1 30 ALA CA C -2.210 7.165 2.711 . . . 1.0 . . . . . . . . . . . . A . 51 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 397 . 1 1 30 ALA CB C -1.698 5.766 2.365 . . . 1.0 . . . . . . . . . . . . A . 51 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 398 . 1 1 30 ALA H H -3.065 7.147 0.763 . . . 1.0 . . . . . . . . . . . . A . 51 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 399 . 1 1 30 ALA HA H -2.849 7.082 3.593 . . . 1.0 . . . . . . . . . . . . A . 51 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 400 . 1 1 30 ALA HB1 H -2.542 5.094 2.214 . . . 1.0 . . . . . . . . . . . . A . 51 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 401 . 1 1 30 ALA HB2 H -1.097 5.798 1.455 . . . 1.0 . . . . . . . . . . . . A . 51 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 402 . 1 1 30 ALA HB3 H -1.095 5.387 3.190 . . . 1.0 . . . . . . . . . . . . A . 51 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 403 . 1 1 30 ALA N N -2.996 7.697 1.614 . . . 1.0 . . . . . . . . . . . . A . 51 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 404 . 1 1 30 ALA O O -0.852 8.457 4.185 . . . 1.0 . . . . . . . . . . . . A . 51 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 405 . 1 1 31 GLY C C 0.303 10.875 2.939 . . . 1.0 . . . . . . . . . . . . A . 52 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 406 . 1 1 31 GLY CA C 0.670 9.635 2.124 . . . 1.0 . . . . . . . . . . . . A . 52 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 407 . 1 1 31 GLY H H -0.653 8.393 1.045 . . . 1.0 . . . . . . . . . . . . A . 52 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 408 . 1 1 31 GLY HA2 H 1.525 9.148 2.590 . . . 1.0 . . . . . . . . . . . . A . 52 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 409 . 1 1 31 GLY HA3 H 0.953 9.977 1.131 . . . 1.0 . . . . . . . . . . . . A . 52 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 410 . 1 1 31 GLY N N -0.408 8.666 1.989 . . . 1.0 . . . . . . . . . . . . A . 52 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 411 . 1 1 31 GLY O O 1.177 11.501 3.534 . . . 1.0 . . . . . . . . . . . . A . 52 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 412 . 1 1 32 ALA C C -1.521 11.979 5.254 . . . 1.0 . . . . . . . . . . . . A . 53 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 413 . 1 1 32 ALA CA C -1.418 12.385 3.782 . . . 1.0 . . . . . . . . . . . . A . 53 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 414 . 1 1 32 ALA CB C -2.763 12.906 3.273 . . . 1.0 . . . . . . . . . . . . A . 53 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 415 . 1 1 32 ALA H H -1.680 10.705 2.494 . . . 1.0 . . . . . . . . . . . . A . 53 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 416 . 1 1 32 ALA HA H -0.697 13.201 3.701 . . . 1.0 . . . . . . . . . . . . A . 53 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 417 . 1 1 32 ALA HB1 H -3.531 12.140 3.381 . . . 1.0 . . . . . . . . . . . . A . 53 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 418 . 1 1 32 ALA HB2 H -3.054 13.780 3.857 . . . 1.0 . . . . . . . . . . . . A . 53 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 419 . 1 1 32 ALA HB3 H -2.680 13.192 2.225 . . . 1.0 . . . . . . . . . . . . A . 53 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 420 . 1 1 32 ALA N N -0.977 11.263 2.963 . . . 1.0 . . . . . . . . . . . . A . 53 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 421 . 1 1 32 ALA O O -1.380 12.820 6.138 . . . 1.0 . . . . . . . . . . . . A . 53 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 422 . 1 1 33 ASN C C -0.736 9.747 7.501 . . . 1.0 . . . . . . . . . . . . A . 54 ASN C . . . . . . . . . rr_1k3h 1 . 1 . 423 . 1 1 33 ASN CA C -2.048 10.177 6.851 . . . 1.0 . . . . . . . . . . . . A . 54 ASN CA . . . . . . . . . rr_1k3h 1 . 1 . 424 . 1 1 33 ASN CB C -3.012 8.983 6.784 . . . 1.0 . . . . . . . . . . . . A . 54 ASN CB . . . . . . . . . rr_1k3h 1 . 1 . 425 . 1 1 33 ASN CG C -4.440 9.397 6.442 . . . 1.0 . . . . . . . . . . . . A . 54 ASN CG . . . . . . . . . rr_1k3h 1 . 1 . 426 . 1 1 33 ASN H H -1.791 10.036 4.749 . . . 1.0 . . . . . . . . . . . . A . 54 ASN H . . . . . . . . . rr_1k3h 1 . 1 . 427 . 1 1 33 ASN HA H -2.505 10.944 7.479 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HA . . . . . . . . . rr_1k3h 1 . 1 . 428 . 1 1 33 ASN HB2 H -2.660 8.243 6.066 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HB2 . . . . . . . . . rr_1k3h 1 . 1 . 429 . 1 1 33 ASN HB3 H -3.035 8.511 7.767 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HB3 . . . . . . . . . rr_1k3h 1 . 1 . 430 . 1 1 33 ASN HD21 H -4.081 9.505 4.410 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HD21 . . . . . . . . . rr_1k3h 1 . 1 . 431 . 1 1 33 ASN HD22 H -5.713 9.842 4.966 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HD22 . . . . . . . . . rr_1k3h 1 . 1 . 432 . 1 1 33 ASN N N -1.809 10.701 5.513 . . . 1.0 . . . . . . . . . . . . A . 54 ASN N . . . . . . . . . rr_1k3h 1 . 1 . 433 . 1 1 33 ASN ND2 N -4.761 9.586 5.163 . . . 1.0 . . . . . . . . . . . . A . 54 ASN ND2 . . . . . . . . . rr_1k3h 1 . 1 . 434 . 1 1 33 ASN O O -0.519 10.010 8.681 . . . 1.0 . . . . . . . . . . . . A . 54 ASN O . . . . . . . . . rr_1k3h 1 . 1 . 435 . 1 1 33 ASN OD1 O -5.275 9.542 7.328 . . . 1.0 . . . . . . . . . . . . A . 54 ASN OD1 . . . . . . . . . rr_1k3h 1 . 1 . 436 . 1 1 34 TYR C C 2.431 8.540 6.276 . . . 1.0 . . . . . . . . . . . . A . 55 TYR C . . . . . . . . . rr_1k3h 1 . 1 . 437 . 1 1 34 TYR CA C 1.259 8.301 7.233 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CA . . . . . . . . . rr_1k3h 1 . 1 . 438 . 1 1 34 TYR CB C 0.898 6.809 7.259 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CB . . . . . . . . . rr_1k3h 1 . 1 . 439 . 1 1 34 TYR CD1 C -0.734 6.773 9.197 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CD1 . . . . . . . . . rr_1k3h 1 . 1 . 440 . 1 1 34 TYR CD2 C -1.382 5.721 7.099 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CD2 . . . . . . . . . rr_1k3h 1 . 1 . 441 . 1 1 34 TYR CE1 C -1.965 6.394 9.763 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CE1 . . . . . . . . . rr_1k3h 1 . 1 . 442 . 1 1 34 TYR CE2 C -2.601 5.325 7.674 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CE2 . . . . . . . . . rr_1k3h 1 . 1 . 443 . 1 1 34 TYR CG C -0.446 6.448 7.859 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CG . . . . . . . . . rr_1k3h 1 . 1 . 444 . 1 1 34 TYR CZ C -2.889 5.652 9.010 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CZ . . . . . . . . . rr_1k3h 1 . 1 . 445 . 1 1 34 TYR H H -0.106 8.917 5.760 . . . 1.0 . . . . . . . . . . . . A . 55 TYR H . . . . . . . . . rr_1k3h 1 . 1 . 446 . 1 1 34 TYR HA H 1.532 8.629 8.238 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HA . . . . . . . . . rr_1k3h 1 . 1 . 447 . 1 1 34 TYR HB2 H 0.926 6.439 6.235 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HB2 . . . . . . . . . rr_1k3h 1 . 1 . 448 . 1 1 34 TYR HB3 H 1.648 6.277 7.832 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HB3 . . . . . . . . . rr_1k3h 1 . 1 . 449 . 1 1 34 TYR HD1 H -0.009 7.309 9.794 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HD1 . . . . . . . . . rr_1k3h 1 . 1 . 450 . 1 1 34 TYR HD2 H -1.164 5.451 6.077 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HD2 . . . . . . . . . rr_1k3h 1 . 1 . 451 . 1 1 34 TYR HE1 H -2.184 6.648 10.789 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HE1 . . . . . . . . . rr_1k3h 1 . 1 . 452 . 1 1 34 TYR HE2 H -3.314 4.770 7.085 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HE2 . . . . . . . . . rr_1k3h 1 . 1 . 453 . 1 1 34 TYR HH H -4.584 4.665 9.015 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HH . . . . . . . . . rr_1k3h 1 . 1 . 454 . 1 1 34 TYR N N 0.106 9.040 6.744 . . . 1.0 . . . . . . . . . . . . A . 55 TYR N . . . . . . . . . rr_1k3h 1 . 1 . 455 . 1 1 34 TYR O O 2.215 8.648 5.070 . . . 1.0 . . . . . . . . . . . . A . 55 TYR O . . . . . . . . . rr_1k3h 1 . 1 . 456 . 1 1 34 TYR OH O -4.063 5.260 9.580 . . . 1.0 . . . . . . . . . . . . A . 55 TYR OH . . . . . . . . . rr_1k3h 1 . 1 . 457 . 1 1 35 SER C C 5.283 7.497 5.317 . . . 1.0 . . . . . . . . . . . . A . 56 SER C . . . . . . . . . rr_1k3h 1 . 1 . 458 . 1 1 35 SER CA C 4.842 8.819 5.949 . . . 1.0 . . . . . . . . . . . . A . 56 SER CA . . . . . . . . . rr_1k3h 1 . 1 . 459 . 1 1 35 SER CB C 5.972 9.431 6.782 . . . 1.0 . . . . . . . . . . . . A . 56 SER CB . . . . . . . . . rr_1k3h 1 . 1 . 460 . 1 1 35 SER H H 3.801 8.481 7.780 . . . 1.0 . . . . . . . . . . . . A . 56 SER H . . . . . . . . . rr_1k3h 1 . 1 . 461 . 1 1 35 SER HA H 4.599 9.520 5.148 . . . 1.0 . . . . . . . . . . . . A . 56 SER HA . . . . . . . . . rr_1k3h 1 . 1 . 462 . 1 1 35 SER HB2 H 6.334 8.705 7.512 . . . 1.0 . . . . . . . . . . . . A . 56 SER HB2 . . . . . . . . . rr_1k3h 1 . 1 . 463 . 1 1 35 SER HB3 H 6.801 9.711 6.125 . . . 1.0 . . . . . . . . . . . . A . 56 SER HB3 . . . . . . . . . rr_1k3h 1 . 1 . 464 . 1 1 35 SER HG H 5.133 11.190 6.820 . . . 1.0 . . . . . . . . . . . . A . 56 SER HG . . . . . . . . . rr_1k3h 1 . 1 . 465 . 1 1 35 SER N N 3.663 8.619 6.788 . . . 1.0 . . . . . . . . . . . . A . 56 SER N . . . . . . . . . rr_1k3h 1 . 1 . 466 . 1 1 35 SER O O 4.863 6.425 5.756 . . . 1.0 . . . . . . . . . . . . A . 56 SER O . . . . . . . . . rr_1k3h 1 . 1 . 467 . 1 1 35 SER OG O 5.493 10.575 7.464 . . . 1.0 . . . . . . . . . . . . A . 56 SER OG . . . . . . . . . rr_1k3h 1 . 1 . 468 . 1 1 36 GLU C C 7.162 5.319 4.551 . . . 1.0 . . . . . . . . . . . . A . 57 GLU C . . . . . . . . . rr_1k3h 1 . 1 . 469 . 1 1 36 GLU CA C 6.683 6.414 3.597 . . . 1.0 . . . . . . . . . . . . A . 57 GLU CA . . . . . . . . . rr_1k3h 1 . 1 . 470 . 1 1 36 GLU CB C 7.731 6.821 2.554 . . . 1.0 . . . . . . . . . . . . A . 57 GLU CB . . . . . . . . . rr_1k3h 1 . 1 . 471 . 1 1 36 GLU CD C 8.717 9.152 3.070 . . . 1.0 . . . . . . . . . . . . A . 57 GLU CD . . . . . . . . . rr_1k3h 1 . 1 . 472 . 1 1 36 GLU CG C 8.923 7.636 3.066 . . . 1.0 . . . . . . . . . . . . A . 57 GLU CG . . . . . . . . . rr_1k3h 1 . 1 . 473 . 1 1 36 GLU H H 6.510 8.474 4.014 . . . 1.0 . . . . . . . . . . . . A . 57 GLU H . . . . . . . . . rr_1k3h 1 . 1 . 474 . 1 1 36 GLU HA H 5.870 5.997 3.015 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HA . . . . . . . . . rr_1k3h 1 . 1 . 475 . 1 1 36 GLU HB2 H 8.108 5.902 2.101 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 476 . 1 1 36 GLU HB3 H 7.256 7.402 1.770 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 477 . 1 1 36 GLU HG2 H 9.227 7.299 4.051 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HG2 . . . . . . . . . rr_1k3h 1 . 1 . 478 . 1 1 36 GLU HG3 H 9.737 7.431 2.375 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HG3 . . . . . . . . . rr_1k3h 1 . 1 . 479 . 1 1 36 GLU N N 6.157 7.564 4.311 . . . 1.0 . . . . . . . . . . . . A . 57 GLU N . . . . . . . . . rr_1k3h 1 . 1 . 480 . 1 1 36 GLU O O 6.809 4.162 4.358 . . . 1.0 . . . . . . . . . . . . A . 57 GLU O . . . . . . . . . rr_1k3h 1 . 1 . 481 . 1 1 36 GLU OE1 O 7.611 9.591 3.458 . . . 1.0 . . . . . . . . . . . . A . 57 GLU OE1 . . . . . . . . . rr_1k3h 1 . 1 . 482 . 1 1 36 GLU OE2 O 9.676 9.850 2.682 . . . 1.0 . . . . . . . . . . . . A . 57 GLU OE2 . . . . . . . . . rr_1k3h 1 . 1 . 483 . 1 1 37 GLU C C 7.125 3.961 7.205 . . . 1.0 . . . . . . . . . . . . A . 58 GLU C . . . . . . . . . rr_1k3h 1 . 1 . 484 . 1 1 37 GLU CA C 8.320 4.736 6.637 . . . 1.0 . . . . . . . . . . . . A . 58 GLU CA . . . . . . . . . rr_1k3h 1 . 1 . 485 . 1 1 37 GLU CB C 9.066 5.485 7.751 . . . 1.0 . . . . . . . . . . . . A . 58 GLU CB . . . . . . . . . rr_1k3h 1 . 1 . 486 . 1 1 37 GLU CD C 11.274 6.476 8.473 . . . 1.0 . . . . . . . . . . . . A . 58 GLU CD . . . . . . . . . rr_1k3h 1 . 1 . 487 . 1 1 37 GLU CG C 10.528 5.740 7.366 . . . 1.0 . . . . . . . . . . . . A . 58 GLU CG . . . . . . . . . rr_1k3h 1 . 1 . 488 . 1 1 37 GLU H H 8.184 6.641 5.687 . . . 1.0 . . . . . . . . . . . . A . 58 GLU H . . . . . . . . . rr_1k3h 1 . 1 . 489 . 1 1 37 GLU HA H 8.999 4.006 6.193 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HA . . . . . . . . . rr_1k3h 1 . 1 . 490 . 1 1 37 GLU HB2 H 8.573 6.432 7.979 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 491 . 1 1 37 GLU HB3 H 9.065 4.878 8.659 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 492 . 1 1 37 GLU HG2 H 11.029 4.784 7.213 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HG2 . . . . . . . . . rr_1k3h 1 . 1 . 493 . 1 1 37 GLU HG3 H 10.584 6.320 6.446 . . . 1.0 . . . . . . . . . . . . A . 58 GLU HG3 . . . . . . . . . rr_1k3h 1 . 1 . 494 . 1 1 37 GLU N N 7.906 5.675 5.602 . . . 1.0 . . . . . . . . . . . . A . 58 GLU N . . . . . . . . . rr_1k3h 1 . 1 . 495 . 1 1 37 GLU O O 7.158 2.735 7.289 . . . 1.0 . . . . . . . . . . . . A . 58 GLU O . . . . . . . . . rr_1k3h 1 . 1 . 496 . 1 1 37 GLU OE1 O 11.368 5.893 9.574 . . . 1.0 . . . . . . . . . . . . A . 58 GLU OE1 . . . . . . . . . rr_1k3h 1 . 1 . 497 . 1 1 37 GLU OE2 O 11.735 7.604 8.199 . . . 1.0 . . . . . . . . . . . . A . 58 GLU OE2 . . . . . . . . . rr_1k3h 1 . 1 . 498 . 1 1 38 GLU C C 4.152 3.192 7.223 . . . 1.0 . . . . . . . . . . . . A . 59 GLU C . . . . . . . . . rr_1k3h 1 . 1 . 499 . 1 1 38 GLU CA C 4.909 4.060 8.229 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CA . . . . . . . . . rr_1k3h 1 . 1 . 500 . 1 1 38 GLU CB C 4.017 5.163 8.800 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CB . . . . . . . . . rr_1k3h 1 . 1 . 501 . 1 1 38 GLU CD C 3.788 6.757 10.789 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CD . . . . . . . . . rr_1k3h 1 . 1 . 502 . 1 1 38 GLU CG C 4.742 6.019 9.851 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CG . . . . . . . . . rr_1k3h 1 . 1 . 503 . 1 1 38 GLU H H 5.979 5.637 7.317 . . . 1.0 . . . . . . . . . . . . A . 59 GLU H . . . . . . . . . rr_1k3h 1 . 1 . 504 . 1 1 38 GLU HA H 5.245 3.432 9.054 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HA . . . . . . . . . rr_1k3h 1 . 1 . 505 . 1 1 38 GLU HB2 H 3.694 5.817 7.995 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 506 . 1 1 38 GLU HB3 H 3.144 4.684 9.245 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 507 . 1 1 38 GLU HG2 H 5.379 5.385 10.466 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HG2 . . . . . . . . . rr_1k3h 1 . 1 . 508 . 1 1 38 GLU HG3 H 5.367 6.760 9.353 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HG3 . . . . . . . . . rr_1k3h 1 . 1 . 509 . 1 1 38 GLU N N 6.059 4.667 7.586 . . . 1.0 . . . . . . . . . . . . A . 59 GLU N . . . . . . . . . rr_1k3h 1 . 1 . 510 . 1 1 38 GLU O O 3.745 2.068 7.518 . . . 1.0 . . . . . . . . . . . . A . 59 GLU O . . . . . . . . . rr_1k3h 1 . 1 . 511 . 1 1 38 GLU OE1 O 2.566 6.513 10.692 . . . 1.0 . . . . . . . . . . . . A . 59 GLU OE1 . . . . . . . . . rr_1k3h 1 . 1 . 512 . 1 1 38 GLU OE2 O 4.307 7.564 11.589 . . . 1.0 . . . . . . . . . . . . A . 59 GLU OE2 . . . . . . . . . rr_1k3h 1 . 1 . 513 . 1 1 39 ILE C C 4.058 1.705 4.644 . . . 1.0 . . . . . . . . . . . . A . 60 ILE C . . . . . . . . . rr_1k3h 1 . 1 . 514 . 1 1 39 ILE CA C 3.285 2.986 4.952 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CA . . . . . . . . . rr_1k3h 1 . 1 . 515 . 1 1 39 ILE CB C 3.091 3.868 3.709 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CB . . . . . . . . . rr_1k3h 1 . 1 . 516 . 1 1 39 ILE CD1 C 1.818 5.945 2.952 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CD1 . . . . . . . . . rr_1k3h 1 . 1 . 517 . 1 1 39 ILE CG1 C 2.171 5.024 4.117 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CG1 . . . . . . . . . rr_1k3h 1 . 1 . 518 . 1 1 39 ILE CG2 C 2.469 3.070 2.554 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CG2 . . . . . . . . . rr_1k3h 1 . 1 . 519 . 1 1 39 ILE H H 4.368 4.629 5.820 . . . 1.0 . . . . . . . . . . . . A . 60 ILE H . . . . . . . . . rr_1k3h 1 . 1 . 520 . 1 1 39 ILE HA H 2.293 2.738 5.324 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HA . . . . . . . . . rr_1k3h 1 . 1 . 521 . 1 1 39 ILE HB H 4.054 4.262 3.383 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HB . . . . . . . . . rr_1k3h 1 . 1 . 522 . 1 1 39 ILE HD11 H 1.321 6.827 3.348 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HD11 . . . . . . . . . rr_1k3h 1 . 1 . 523 . 1 1 39 ILE HD12 H 2.719 6.249 2.419 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HD12 . . . . . . . . . rr_1k3h 1 . 1 . 524 . 1 1 39 ILE HD13 H 1.135 5.434 2.273 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HD13 . . . . . . . . . rr_1k3h 1 . 1 . 525 . 1 1 39 ILE HG12 H 1.257 4.636 4.559 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG12 . . . . . . . . . rr_1k3h 1 . 1 . 526 . 1 1 39 ILE HG13 H 2.671 5.599 4.887 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG13 . . . . . . . . . rr_1k3h 1 . 1 . 527 . 1 1 39 ILE HG21 H 3.106 2.232 2.287 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG21 . . . . . . . . . rr_1k3h 1 . 1 . 528 . 1 1 39 ILE HG22 H 1.488 2.696 2.841 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG22 . . . . . . . . . rr_1k3h 1 . 1 . 529 . 1 1 39 ILE HG23 H 2.370 3.694 1.667 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG23 . . . . . . . . . rr_1k3h 1 . 1 . 530 . 1 1 39 ILE N N 3.970 3.714 6.010 . . . 1.0 . . . . . . . . . . . . A . 60 ILE N . . . . . . . . . rr_1k3h 1 . 1 . 531 . 1 1 39 ILE O O 3.471 0.633 4.504 . . . 1.0 . . . . . . . . . . . . A . 60 ILE O . . . . . . . . . rr_1k3h 1 . 1 . 532 . 1 1 40 LEU C C 6.119 -0.302 5.404 . . . 1.0 . . . . . . . . . . . . A . 61 LEU C . . . . . . . . . rr_1k3h 1 . 1 . 533 . 1 1 40 LEU CA C 6.283 0.723 4.290 . . . 1.0 . . . . . . . . . . . . A . 61 LEU CA . . . . . . . . . rr_1k3h 1 . 1 . 534 . 1 1 40 LEU CB C 7.722 1.250 4.158 . . . 1.0 . . . . . . . . . . . . A . 61 LEU CB . . . . . . . . . rr_1k3h 1 . 1 . 535 . 1 1 40 LEU CD1 C 8.628 -0.689 2.762 . . . 1.0 . . . . . . . . . . . . A . 61 LEU CD1 . . . . . . . . . rr_1k3h 1 . 1 . 536 . 1 1 40 LEU CD2 C 10.173 0.821 4.011 . . . 1.0 . . . . . . . . . . . . A . 61 LEU CD2 . . . . . . . . . rr_1k3h 1 . 1 . 537 . 1 1 40 LEU CG C 8.792 0.157 4.029 . . . 1.0 . . . . . . . . . . . . A . 61 LEU CG . . . . . . . . . rr_1k3h 1 . 1 . 538 . 1 1 40 LEU H H 5.804 2.727 4.725 . . . 1.0 . . . . . . . . . . . . A . 61 LEU H . . . . . . . . . rr_1k3h 1 . 1 . 539 . 1 1 40 LEU HA H 5.977 0.270 3.351 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HA . . . . . . . . . rr_1k3h 1 . 1 . 540 . 1 1 40 LEU HB2 H 7.784 1.905 3.290 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 541 . 1 1 40 LEU HB3 H 7.959 1.839 5.043 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 542 . 1 1 40 LEU HD11 H 7.590 -0.970 2.606 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HD11 . . . . . . . . . rr_1k3h 1 . 1 . 543 . 1 1 40 LEU HD12 H 8.974 -0.128 1.899 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HD12 . . . . . . . . . rr_1k3h 1 . 1 . 544 . 1 1 40 LEU HD13 H 9.223 -1.597 2.849 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HD13 . . . . . . . . . rr_1k3h 1 . 1 . 545 . 1 1 40 LEU HD21 H 10.239 1.530 3.184 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HD21 . . . . . . . . . rr_1k3h 1 . 1 . 546 . 1 1 40 LEU HD22 H 10.340 1.355 4.946 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HD22 . . . . . . . . . rr_1k3h 1 . 1 . 547 . 1 1 40 LEU HD23 H 10.948 0.064 3.892 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HD23 . . . . . . . . . rr_1k3h 1 . 1 . 548 . 1 1 40 LEU HG H 8.737 -0.493 4.901 . . . 1.0 . . . . . . . . . . . . A . 61 LEU HG . . . . . . . . . rr_1k3h 1 . 1 . 549 . 1 1 40 LEU N N 5.382 1.826 4.539 . . . 1.0 . . . . . . . . . . . . A . 61 LEU N . . . . . . . . . rr_1k3h 1 . 1 . 550 . 1 1 40 LEU O O 5.907 -1.477 5.116 . . . 1.0 . . . . . . . . . . . . A . 61 LEU O . . . . . . . . . rr_1k3h 1 . 1 . 551 . 1 1 41 ASP C C 4.657 -1.522 7.641 . . . 1.0 . . . . . . . . . . . . A . 62 ASP C . . . . . . . . . rr_1k3h 1 . 1 . 552 . 1 1 41 ASP CA C 5.959 -0.731 7.808 . . . 1.0 . . . . . . . . . . . . A . 62 ASP CA . . . . . . . . . rr_1k3h 1 . 1 . 553 . 1 1 41 ASP CB C 5.987 0.075 9.111 . . . 1.0 . . . . . . . . . . . . A . 62 ASP CB . . . . . . . . . rr_1k3h 1 . 1 . 554 . 1 1 41 ASP CG C 6.100 -0.861 10.301 . . . 1.0 . . . . . . . . . . . . A . 62 ASP CG . . . . . . . . . rr_1k3h 1 . 1 . 555 . 1 1 41 ASP H H 6.373 1.121 6.842 . . . 1.0 . . . . . . . . . . . . A . 62 ASP H . . . . . . . . . rr_1k3h 1 . 1 . 556 . 1 1 41 ASP HA H 6.789 -1.439 7.837 . . . 1.0 . . . . . . . . . . . . A . 62 ASP HA . . . . . . . . . rr_1k3h 1 . 1 . 557 . 1 1 41 ASP HB2 H 6.852 0.738 9.115 . . . 1.0 . . . . . . . . . . . . A . 62 ASP HB2 . . . . . . . . . rr_1k3h 1 . 1 . 558 . 1 1 41 ASP HB3 H 5.083 0.674 9.218 . . . 1.0 . . . . . . . . . . . . A . 62 ASP HB3 . . . . . . . . . rr_1k3h 1 . 1 . 559 . 1 1 41 ASP N N 6.174 0.141 6.663 . . . 1.0 . . . . . . . . . . . . A . 62 ASP N . . . . . . . . . rr_1k3h 1 . 1 . 560 . 1 1 41 ASP O O 4.674 -2.751 7.653 . . . 1.0 . . . . . . . . . . . . A . 62 ASP O . . . . . . . . . rr_1k3h 1 . 1 . 561 . 1 1 41 ASP OD1 O 5.124 -1.605 10.545 . . . 1.0 . . . . . . . . . . . . A . 62 ASP OD1 . . . . . . . . . rr_1k3h 1 . 1 . 562 . 1 1 41 ASP OD2 O 7.189 -0.892 10.908 . . . 1.0 . . . . . . . . . . . . A . 62 ASP OD2 . . . . . . . . . rr_1k3h 1 . 1 . 563 . 1 1 42 ILE C C 2.383 -2.512 6.003 . . . 1.0 . . . . . . . . . . . . A . 63 ILE C . . . . . . . . . rr_1k3h 1 . 1 . 564 . 1 1 42 ILE CA C 2.264 -1.512 7.158 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CA . . . . . . . . . rr_1k3h 1 . 1 . 565 . 1 1 42 ILE CB C 1.125 -0.487 6.968 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CB . . . . . . . . . rr_1k3h 1 . 1 . 566 . 1 1 42 ILE CD1 C 0.117 1.627 8.004 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CD1 . . . . . . . . . rr_1k3h 1 . 1 . 567 . 1 1 42 ILE CG1 C 0.901 0.330 8.249 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CG1 . . . . . . . . . rr_1k3h 1 . 1 . 568 . 1 1 42 ILE CG2 C -0.184 -1.187 6.571 . . . 1.0 . . . . . . . . . . . . A . 63 ILE CG2 . . . . . . . . . rr_1k3h 1 . 1 . 569 . 1 1 42 ILE H H 3.572 0.182 7.347 . . . 1.0 . . . . . . . . . . . . A . 63 ILE H . . . . . . . . . rr_1k3h 1 . 1 . 570 . 1 1 42 ILE HA H 2.042 -2.127 8.035 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HA . . . . . . . . . rr_1k3h 1 . 1 . 571 . 1 1 42 ILE HB H 1.406 0.212 6.189 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HB . . . . . . . . . rr_1k3h 1 . 1 . 572 . 1 1 42 ILE HD11 H 0.800 2.478 8.029 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HD11 . . . . . . . . . rr_1k3h 1 . 1 . 573 . 1 1 42 ILE HD12 H -0.378 1.615 7.036 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HD12 . . . . . . . . . rr_1k3h 1 . 1 . 574 . 1 1 42 ILE HD13 H -0.632 1.756 8.787 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HD13 . . . . . . . . . rr_1k3h 1 . 1 . 575 . 1 1 42 ILE HG12 H 0.377 -0.288 8.977 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG12 . . . . . . . . . rr_1k3h 1 . 1 . 576 . 1 1 42 ILE HG13 H 1.863 0.615 8.667 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG13 . . . . . . . . . rr_1k3h 1 . 1 . 577 . 1 1 42 ILE HG21 H -1.016 -0.488 6.598 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG21 . . . . . . . . . rr_1k3h 1 . 1 . 578 . 1 1 42 ILE HG22 H -0.109 -1.591 5.561 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG22 . . . . . . . . . rr_1k3h 1 . 1 . 579 . 1 1 42 ILE HG23 H -0.396 -1.997 7.267 . . . 1.0 . . . . . . . . . . . . A . 63 ILE HG23 . . . . . . . . . rr_1k3h 1 . 1 . 580 . 1 1 42 ILE N N 3.537 -0.836 7.383 . . . 1.0 . . . . . . . . . . . . A . 63 ILE N . . . . . . . . . rr_1k3h 1 . 1 . 581 . 1 1 42 ILE O O 2.006 -3.666 6.164 . . . 1.0 . . . . . . . . . . . . A . 63 ILE O . . . . . . . . . rr_1k3h 1 . 1 . 582 . 1 1 43 ILE C C 3.895 -4.325 4.237 . . . 1.0 . . . . . . . . . . . . A . 64 ILE C . . . . . . . . . rr_1k3h 1 . 1 . 583 . 1 1 43 ILE CA C 3.122 -3.084 3.751 . . . 1.0 . . . . . . . . . . . . A . 64 ILE CA . . . . . . . . . rr_1k3h 1 . 1 . 584 . 1 1 43 ILE CB C 3.774 -2.396 2.534 . . . 1.0 . . . . . . . . . . . . A . 64 ILE CB . . . . . . . . . rr_1k3h 1 . 1 . 585 . 1 1 43 ILE CD1 C 3.579 -0.306 1.107 . . . 1.0 . . . . . . . . . . . . A . 64 ILE CD1 . . . . . . . . . rr_1k3h 1 . 1 . 586 . 1 1 43 ILE CG1 C 2.818 -1.355 1.926 . . . 1.0 . . . . . . . . . . . . A . 64 ILE CG1 . . . . . . . . . rr_1k3h 1 . 1 . 587 . 1 1 43 ILE CG2 C 4.152 -3.429 1.460 . . . 1.0 . . . . . . . . . . . . A . 64 ILE CG2 . . . . . . . . . rr_1k3h 1 . 1 . 588 . 1 1 43 ILE H H 3.272 -1.179 4.752 . . . 1.0 . . . . . . . . . . . . A . 64 ILE H . . . . . . . . . rr_1k3h 1 . 1 . 589 . 1 1 43 ILE HA H 2.139 -3.431 3.435 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HA . . . . . . . . . rr_1k3h 1 . 1 . 590 . 1 1 43 ILE HB H 4.679 -1.885 2.853 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HB . . . . . . . . . rr_1k3h 1 . 1 . 591 . 1 1 43 ILE HD11 H 4.082 -0.755 0.252 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HD11 . . . . . . . . . rr_1k3h 1 . 1 . 592 . 1 1 43 ILE HD12 H 2.885 0.453 0.750 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HD12 . . . . . . . . . rr_1k3h 1 . 1 . 593 . 1 1 43 ILE HD13 H 4.319 0.180 1.740 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HD13 . . . . . . . . . rr_1k3h 1 . 1 . 594 . 1 1 43 ILE HG12 H 2.082 -1.858 1.300 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HG12 . . . . . . . . . rr_1k3h 1 . 1 . 595 . 1 1 43 ILE HG13 H 2.283 -0.825 2.713 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HG13 . . . . . . . . . rr_1k3h 1 . 1 . 596 . 1 1 43 ILE HG21 H 3.293 -4.060 1.235 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HG21 . . . . . . . . . rr_1k3h 1 . 1 . 597 . 1 1 43 ILE HG22 H 4.471 -2.931 0.546 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HG22 . . . . . . . . . rr_1k3h 1 . 1 . 598 . 1 1 43 ILE HG23 H 4.973 -4.057 1.809 . . . 1.0 . . . . . . . . . . . . A . 64 ILE HG23 . . . . . . . . . rr_1k3h 1 . 1 . 599 . 1 1 43 ILE N N 2.931 -2.131 4.846 . . . 1.0 . . . . . . . . . . . . A . 64 ILE N . . . . . . . . . rr_1k3h 1 . 1 . 600 . 1 1 43 ILE O O 3.502 -5.459 3.955 . . . 1.0 . . . . . . . . . . . . A . 64 ILE O . . . . . . . . . rr_1k3h 1 . 1 . 601 . 1 1 44 LEU C C 5.137 -6.030 6.589 . . . 1.0 . . . . . . . . . . . . A . 65 LEU C . . . . . . . . . rr_1k3h 1 . 1 . 602 . 1 1 44 LEU CA C 5.818 -5.198 5.494 . . . 1.0 . . . . . . . . . . . . A . 65 LEU CA . . . . . . . . . rr_1k3h 1 . 1 . 603 . 1 1 44 LEU CB C 7.149 -4.638 6.018 . . . 1.0 . . . . . . . . . . . . A . 65 LEU CB . . . . . . . . . rr_1k3h 1 . 1 . 604 . 1 1 44 LEU CD1 C 9.345 -3.488 5.620 . . . 1.0 . . . . . . . . . . . . A . 65 LEU CD1 . . . . . . . . . rr_1k3h 1 . 1 . 605 . 1 1 44 LEU CD2 C 8.453 -4.986 3.830 . . . 1.0 . . . . . . . . . . . . A . 65 LEU CD2 . . . . . . . . . rr_1k3h 1 . 1 . 606 . 1 1 44 LEU CG C 8.066 -4.011 4.950 . . . 1.0 . . . . . . . . . . . . A . 65 LEU CG . . . . . . . . . rr_1k3h 1 . 1 . 607 . 1 1 44 LEU H H 5.233 -3.166 5.224 . . . 1.0 . . . . . . . . . . . . A . 65 LEU H . . . . . . . . . rr_1k3h 1 . 1 . 608 . 1 1 44 LEU HA H 6.033 -5.883 4.676 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HA . . . . . . . . . rr_1k3h 1 . 1 . 609 . 1 1 44 LEU HB2 H 6.925 -3.885 6.775 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 610 . 1 1 44 LEU HB3 H 7.684 -5.450 6.510 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 611 . 1 1 44 LEU HD11 H 9.143 -3.172 6.643 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HD11 . . . . . . . . . rr_1k3h 1 . 1 . 612 . 1 1 44 LEU HD12 H 10.111 -4.264 5.637 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HD12 . . . . . . . . . rr_1k3h 1 . 1 . 613 . 1 1 44 LEU HD13 H 9.729 -2.634 5.063 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HD13 . . . . . . . . . rr_1k3h 1 . 1 . 614 . 1 1 44 LEU HD21 H 9.194 -4.516 3.182 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HD21 . . . . . . . . . rr_1k3h 1 . 1 . 615 . 1 1 44 LEU HD22 H 8.878 -5.896 4.256 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HD22 . . . . . . . . . rr_1k3h 1 . 1 . 616 . 1 1 44 LEU HD23 H 7.585 -5.240 3.223 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HD23 . . . . . . . . . rr_1k3h 1 . 1 . 617 . 1 1 44 LEU HG H 7.555 -3.166 4.493 . . . 1.0 . . . . . . . . . . . . A . 65 LEU HG . . . . . . . . . rr_1k3h 1 . 1 . 618 . 1 1 44 LEU N N 4.979 -4.121 4.987 . . . 1.0 . . . . . . . . . . . . A . 65 LEU N . . . . . . . . . rr_1k3h 1 . 1 . 619 . 1 1 44 LEU O O 5.388 -7.232 6.659 . . . 1.0 . . . . . . . . . . . . A . 65 LEU O . . . . . . . . . rr_1k3h 1 . 1 . 620 . 1 1 45 ASN C C 2.360 -6.185 8.777 . . . 1.0 . . . . . . . . . . . . A . 66 ASN C . . . . . . . . . rr_1k3h 1 . 1 . 621 . 1 1 45 ASN CA C 3.881 -6.035 8.724 . . . 1.0 . . . . . . . . . . . . A . 66 ASN CA . . . . . . . . . rr_1k3h 1 . 1 . 622 . 1 1 45 ASN CB C 4.390 -5.176 9.890 . . . 1.0 . . . . . . . . . . . . A . 66 ASN CB . . . . . . . . . rr_1k3h 1 . 1 . 623 . 1 1 45 ASN CG C 5.914 -5.095 9.931 . . . 1.0 . . . . . . . . . . . . A . 66 ASN CG . . . . . . . . . rr_1k3h 1 . 1 . 624 . 1 1 45 ASN H H 3.904 -4.518 7.204 . . . 1.0 . . . . . . . . . . . . A . 66 ASN H . . . . . . . . . rr_1k3h 1 . 1 . 625 . 1 1 45 ASN HA H 4.299 -7.036 8.839 . . . 1.0 . . . . . . . . . . . . A . 66 ASN HA . . . . . . . . . rr_1k3h 1 . 1 . 626 . 1 1 45 ASN HB2 H 3.964 -4.175 9.810 . . . 1.0 . . . . . . . . . . . . A . 66 ASN HB2 . . . . . . . . . rr_1k3h 1 . 1 . 627 . 1 1 45 ASN HB3 H 4.061 -5.614 10.833 . . . 1.0 . . . . . . . . . . . . A . 66 ASN HB3 . . . . . . . . . rr_1k3h 1 . 1 . 628 . 1 1 45 ASN HD21 H 5.851 -3.123 10.460 . . . 1.0 . . . . . . . . . . . . A . 66 ASN HD21 . . . . . . . . . rr_1k3h 1 . 1 . 629 . 1 1 45 ASN HD22 H 7.452 -3.812 10.312 . . . 1.0 . . . . . . . . . . . . A . 66 ASN HD22 . . . . . . . . . rr_1k3h 1 . 1 . 630 . 1 1 45 ASN N N 4.297 -5.433 7.444 . . . 1.0 . . . . . . . . . . . . A . 66 ASN N . . . . . . . . . rr_1k3h 1 . 1 . 631 . 1 1 45 ASN ND2 N 6.454 -3.936 10.278 . . . 1.0 . . . . . . . . . . . . A . 66 ASN ND2 . . . . . . . . . rr_1k3h 1 . 1 . 632 . 1 1 45 ASN O O 1.756 -6.333 9.837 . . . 1.0 . . . . . . . . . . . . A . 66 ASN O . . . . . . . . . rr_1k3h 1 . 1 . 633 . 1 1 45 ASN OD1 O 6.607 -6.072 9.660 . . . 1.0 . . . . . . . . . . . . A . 66 ASN OD1 . . . . . . . . . rr_1k3h 1 . 1 . 634 . 1 1 46 GLY C C -0.322 -5.043 8.273 . . . 1.0 . . . . . . . . . . . . A . 67 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 635 . 1 1 46 GLY CA C 0.382 -5.921 7.225 . . . 1.0 . . . . . . . . . . . . A . 67 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 636 . 1 1 46 GLY H H 2.490 -6.190 6.860 . . . 1.0 . . . . . . . . . . . . A . 67 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 637 . 1 1 46 GLY HA2 H 0.370 -5.345 6.306 . . . 1.0 . . . . . . . . . . . . A . 67 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 638 . 1 1 46 GLY HA3 H -0.117 -6.843 6.932 . . . 1.0 . . . . . . . . . . . . A . 67 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 639 . 1 1 46 GLY N N 1.782 -6.167 7.580 . . . 1.0 . . . . . . . . . . . . A . 67 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 640 . 1 1 46 GLY O O 0.297 -4.104 8.768 . . . 1.0 . . . . . . . . . . . . A . 67 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 641 . 1 1 47 GLN C C -3.828 -5.122 9.584 . . . 1.0 . . . . . . . . . . . . A . 68 GLN C . . . . . . . . . rr_1k3h 1 . 1 . 642 . 1 1 47 GLN CA C -2.391 -4.586 9.601 . . . 1.0 . . . . . . . . . . . . A . 68 GLN CA . . . . . . . . . rr_1k3h 1 . 1 . 643 . 1 1 47 GLN CB C -2.381 -3.055 9.368 . . . 1.0 . . . . . . . . . . . . A . 68 GLN CB . . . . . . . . . rr_1k3h 1 . 1 . 644 . 1 1 47 GLN CD C -2.960 -0.788 10.336 . . . 1.0 . . . . . . . . . . . . A . 68 GLN CD . . . . . . . . . rr_1k3h 1 . 1 . 645 . 1 1 47 GLN CG C -3.250 -2.288 10.378 . . . 1.0 . . . . . . . . . . . . A . 68 GLN CG . . . . . . . . . rr_1k3h 1 . 1 . 646 . 1 1 47 GLN H H -2.038 -6.116 8.159 . . . 1.0 . . . . . . . . . . . . A . 68 GLN H . . . . . . . . . rr_1k3h 1 . 1 . 647 . 1 1 47 GLN HA H -1.946 -4.787 10.577 . . . 1.0 . . . . . . . . . . . . A . 68 GLN HA . . . . . . . . . rr_1k3h 1 . 1 . 648 . 1 1 47 GLN HB2 H -1.375 -2.669 9.513 . . . 1.0 . . . . . . . . . . . . A . 68 GLN HB2 . . . . . . . . . rr_1k3h 1 . 1 . 649 . 1 1 47 GLN HB3 H -2.693 -2.814 8.350 . . . 1.0 . . . . . . . . . . . . A . 68 GLN HB3 . . . . . . . . . rr_1k3h 1 . 1 . 650 . 1 1 47 GLN HE21 H -4.719 -0.305 9.361 . . . 1.0 . . . . . . . . . . . . A . 68 GLN HE21 . . . . . . . . . rr_1k3h 1 . 1 . 651 . 1 1 47 GLN HE22 H -3.668 1.012 9.754 . . . 1.0 . . . . . . . . . . . . A . 68 GLN HE22 . . . . . . . . . rr_1k3h 1 . 1 . 652 . 1 1 47 GLN HG2 H -4.310 -2.467 10.201 . . . 1.0 . . . . . . . . . . . . A . 68 GLN HG2 . . . . . . . . . rr_1k3h 1 . 1 . 653 . 1 1 47 GLN HG3 H -3.008 -2.637 11.382 . . . 1.0 . . . . . . . . . . . . A . 68 GLN HG3 . . . . . . . . . rr_1k3h 1 . 1 . 654 . 1 1 47 GLN N N -1.597 -5.309 8.596 . . . 1.0 . . . . . . . . . . . . A . 68 GLN N . . . . . . . . . rr_1k3h 1 . 1 . 655 . 1 1 47 GLN NE2 N -3.845 0.019 9.757 . . . 1.0 . . . . . . . . . . . . A . 68 GLN NE2 . . . . . . . . . rr_1k3h 1 . 1 . 656 . 1 1 47 GLN O O -4.432 -5.191 8.520 . . . 1.0 . . . . . . . . . . . . A . 68 GLN O . . . . . . . . . rr_1k3h 1 . 1 . 657 . 1 1 47 GLN OE1 O -1.930 -0.346 10.834 . . . 1.0 . . . . . . . . . . . . A . 68 GLN OE1 . . . . . . . . . rr_1k3h 1 . 1 . 658 . 1 1 48 GLY C C -6.105 -7.032 9.809 . . . 1.0 . . . . . . . . . . . . A . 69 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 659 . 1 1 48 GLY CA C -5.768 -5.965 10.857 . . . 1.0 . . . . . . . . . . . . A . 69 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 660 . 1 1 48 GLY H H -3.870 -5.382 11.596 . . . 1.0 . . . . . . . . . . . . A . 69 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 661 . 1 1 48 GLY HA2 H -5.879 -6.419 11.842 . . . 1.0 . . . . . . . . . . . . A . 69 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 662 . 1 1 48 GLY HA3 H -6.457 -5.127 10.801 . . . 1.0 . . . . . . . . . . . . A . 69 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 663 . 1 1 48 GLY N N -4.395 -5.477 10.742 . . . 1.0 . . . . . . . . . . . . A . 69 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 664 . 1 1 48 GLY O O -5.529 -8.117 9.852 . . . 1.0 . . . . . . . . . . . . A . 69 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 665 . 1 1 49 GLY C C -6.220 -7.970 6.852 . . . 1.0 . . . . . . . . . . . . A . 70 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 666 . 1 1 49 GLY CA C -7.366 -7.735 7.842 . . . 1.0 . . . . . . . . . . . . A . 70 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 667 . 1 1 49 GLY H H -7.481 -5.841 8.832 . . . 1.0 . . . . . . . . . . . . A . 70 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 668 . 1 1 49 GLY HA2 H -7.631 -8.682 8.316 . . . 1.0 . . . . . . . . . . . . A . 70 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 669 . 1 1 49 GLY HA3 H -8.235 -7.372 7.294 . . . 1.0 . . . . . . . . . . . . A . 70 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 670 . 1 1 49 GLY N N -7.016 -6.755 8.864 . . . 1.0 . . . . . . . . . . . . A . 70 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 671 . 1 1 49 GLY O O -6.141 -9.018 6.215 . . . 1.0 . . . . . . . . . . . . A . 70 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 672 . 1 1 50 MET C C -3.104 -7.901 6.202 . . . 1.0 . . . . . . . . . . . . A . 71 MET C . . . . . . . . . rr_1k3h 1 . 1 . 673 . 1 1 50 MET CA C -4.249 -6.984 5.740 . . . 1.0 . . . . . . . . . . . . A . 71 MET CA . . . . . . . . . rr_1k3h 1 . 1 . 674 . 1 1 50 MET CB C -3.731 -5.554 5.619 . . . 1.0 . . . . . . . . . . . . A . 71 MET CB . . . . . . . . . rr_1k3h 1 . 1 . 675 . 1 1 50 MET CE C -0.697 -4.072 3.405 . . . 1.0 . . . . . . . . . . . . A . 71 MET CE . . . . . . . . . rr_1k3h 1 . 1 . 676 . 1 1 50 MET CG C -2.759 -5.400 4.465 . . . 1.0 . . . . . . . . . . . . A . 71 MET CG . . . . . . . . . rr_1k3h 1 . 1 . 677 . 1 1 50 MET H H -5.450 -6.150 7.272 . . . 1.0 . . . . . . . . . . . . A . 71 MET H . . . . . . . . . rr_1k3h 1 . 1 . 678 . 1 1 50 MET HA H -4.660 -7.276 4.776 . . . 1.0 . . . . . . . . . . . . A . 71 MET HA . . . . . . . . . rr_1k3h 1 . 1 . 679 . 1 1 50 MET HB2 H -4.565 -4.873 5.526 . . . 1.0 . . . . . . . . . . . . A . 71 MET HB2 . . . . . . . . . rr_1k3h 1 . 1 . 680 . 1 1 50 MET HB3 H -3.186 -5.268 6.513 . . . 1.0 . . . . . . . . . . . . A . 71 MET HB3 . . . . . . . . . rr_1k3h 1 . 1 . 681 . 1 1 50 MET HE1 H -0.890 -4.741 2.565 . . . 1.0 . . . . . . . . . . . . A . 71 MET HE1 . . . . . . . . . rr_1k3h 1 . 1 . 682 . 1 1 50 MET HE2 H -0.220 -3.156 3.060 . . . 1.0 . . . . . . . . . . . . A . 71 MET HE2 . . . . . . . . . rr_1k3h 1 . 1 . 683 . 1 1 50 MET HE3 H -0.042 -4.581 4.111 . . . 1.0 . . . . . . . . . . . . A . 71 MET HE3 . . . . . . . . . rr_1k3h 1 . 1 . 684 . 1 1 50 MET HG2 H -1.864 -5.962 4.732 . . . 1.0 . . . . . . . . . . . . A . 71 MET HG2 . . . . . . . . . rr_1k3h 1 . 1 . 685 . 1 1 50 MET HG3 H -3.152 -5.830 3.548 . . . 1.0 . . . . . . . . . . . . A . 71 MET HG3 . . . . . . . . . rr_1k3h 1 . 1 . 686 . 1 1 50 MET N N -5.353 -6.971 6.683 . . . 1.0 . . . . . . . . . . . . A . 71 MET N . . . . . . . . . rr_1k3h 1 . 1 . 687 . 1 1 50 MET O O -2.534 -7.651 7.264 . . . 1.0 . . . . . . . . . . . . A . 71 MET O . . . . . . . . . rr_1k3h 1 . 1 . 688 . 1 1 50 MET SD S -2.266 -3.681 4.215 . . . 1.0 . . . . . . . . . . . . A . 71 MET SD . . . . . . . . . rr_1k3h 1 . 1 . 689 . 1 1 51 PRO C C -0.253 -8.984 5.276 . . . 1.0 . . . . . . . . . . . . A . 72 PRO C . . . . . . . . . rr_1k3h 1 . 1 . 690 . 1 1 51 PRO CA C -1.535 -9.722 5.666 . . . 1.0 . . . . . . . . . . . . A . 72 PRO CA . . . . . . . . . rr_1k3h 1 . 1 . 691 . 1 1 51 PRO CB C -1.718 -10.972 4.808 . . . 1.0 . . . . . . . . . . . . A . 72 PRO CB . . . . . . . . . rr_1k3h 1 . 1 . 692 . 1 1 51 PRO CD C -3.297 -9.256 4.126 . . . 1.0 . . . . . . . . . . . . A . 72 PRO CD . . . . . . . . . rr_1k3h 1 . 1 . 693 . 1 1 51 PRO CG C -2.536 -10.483 3.611 . . . 1.0 . . . . . . . . . . . . A . 72 PRO CG . . . . . . . . . rr_1k3h 1 . 1 . 694 . 1 1 51 PRO HA H -1.504 -10.003 6.720 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HA . . . . . . . . . rr_1k3h 1 . 1 . 695 . 1 1 51 PRO HB2 H -0.761 -11.397 4.493 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HB2 . . . . . . . . . rr_1k3h 1 . 1 . 696 . 1 1 51 PRO HB3 H -2.286 -11.704 5.380 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HB3 . . . . . . . . . rr_1k3h 1 . 1 . 697 . 1 1 51 PRO HD2 H -3.215 -8.435 3.415 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HD2 . . . . . . . . . rr_1k3h 1 . 1 . 698 . 1 1 51 PRO HD3 H -4.343 -9.493 4.286 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HD3 . . . . . . . . . rr_1k3h 1 . 1 . 699 . 1 1 51 PRO HG2 H -1.846 -10.186 2.823 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HG2 . . . . . . . . . rr_1k3h 1 . 1 . 700 . 1 1 51 PRO HG3 H -3.211 -11.254 3.238 . . . 1.0 . . . . . . . . . . . . A . 72 PRO HG3 . . . . . . . . . rr_1k3h 1 . 1 . 701 . 1 1 51 PRO N N -2.695 -8.892 5.393 . . . 1.0 . . . . . . . . . . . . A . 72 PRO N . . . . . . . . . rr_1k3h 1 . 1 . 702 . 1 1 51 PRO O O -0.234 -8.213 4.319 . . . 1.0 . . . . . . . . . . . . A . 72 PRO O . . . . . . . . . rr_1k3h 1 . 1 . 703 . 1 1 52 GLY C C 3.002 -9.100 4.789 . . . 1.0 . . . . . . . . . . . . A . 73 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 704 . 1 1 52 GLY CA C 2.078 -8.502 5.836 . . . 1.0 . . . . . . . . . . . . A . 73 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 705 . 1 1 52 GLY H H 0.726 -9.780 6.852 . . . 1.0 . . . . . . . . . . . . A . 73 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 706 . 1 1 52 GLY HA2 H 1.855 -7.493 5.498 . . . 1.0 . . . . . . . . . . . . A . 73 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 707 . 1 1 52 GLY HA3 H 2.617 -8.481 6.783 . . . 1.0 . . . . . . . . . . . . A . 73 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 708 . 1 1 52 GLY N N 0.824 -9.208 6.027 . . . 1.0 . . . . . . . . . . . . A . 73 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 709 . 1 1 52 GLY O O 2.981 -10.298 4.514 . . . 1.0 . . . . . . . . . . . . A . 73 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 710 . 1 1 53 GLY C C 4.226 -8.956 1.903 . . . 1.0 . . . . . . . . . . . . A . 74 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 711 . 1 1 53 GLY CA C 4.851 -8.592 3.242 . . . 1.0 . . . . . . . . . . . . A . 74 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 712 . 1 1 53 GLY H H 3.727 -7.238 4.448 . . . 1.0 . . . . . . . . . . . . A . 74 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 713 . 1 1 53 GLY HA2 H 5.519 -7.743 3.099 . . . 1.0 . . . . . . . . . . . . A . 74 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 714 . 1 1 53 GLY HA3 H 5.430 -9.437 3.602 . . . 1.0 . . . . . . . . . . . . A . 74 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 715 . 1 1 53 GLY N N 3.836 -8.228 4.217 . . . 1.0 . . . . . . . . . . . . A . 74 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 716 . 1 1 53 GLY O O 4.764 -9.781 1.168 . . . 1.0 . . . . . . . . . . . . A . 74 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 717 . 1 1 54 ILE C C 3.305 -8.163 -0.828 . . . 1.0 . . . . . . . . . . . . A . 75 ILE C . . . . . . . . . rr_1k3h 1 . 1 . 718 . 1 1 54 ILE CA C 2.356 -8.463 0.355 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CA . . . . . . . . . rr_1k3h 1 . 1 . 719 . 1 1 54 ILE CB C 1.067 -7.609 0.496 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CB . . . . . . . . . rr_1k3h 1 . 1 . 720 . 1 1 54 ILE CD1 C -1.329 -7.773 1.328 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CD1 . . . . . . . . . rr_1k3h 1 . 1 . 721 . 1 1 54 ILE CG1 C -0.079 -8.548 0.910 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CG1 . . . . . . . . . rr_1k3h 1 . 1 . 722 . 1 1 54 ILE CG2 C 0.668 -6.866 -0.796 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CG2 . . . . . . . . . rr_1k3h 1 . 1 . 723 . 1 1 54 ILE H H 2.717 -7.699 2.300 . . . 1.0 . . . . . . . . . . . . A . 75 ILE H . . . . . . . . . rr_1k3h 1 . 1 . 724 . 1 1 54 ILE HA H 2.073 -9.512 0.252 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HA . . . . . . . . . rr_1k3h 1 . 1 . 725 . 1 1 54 ILE HB H 1.155 -6.907 1.348 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HB . . . . . . . . . rr_1k3h 1 . 1 . 726 . 1 1 54 ILE HD11 H -2.176 -8.453 1.398 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HD11 . . . . . . . . . rr_1k3h 1 . 1 . 727 . 1 1 54 ILE HD12 H -1.566 -7.019 0.595 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HD12 . . . . . . . . . rr_1k3h 1 . 1 . 728 . 1 1 54 ILE HD13 H -1.173 -7.271 2.280 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HD13 . . . . . . . . . rr_1k3h 1 . 1 . 729 . 1 1 54 ILE HG12 H -0.330 -9.209 0.079 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG12 . . . . . . . . . rr_1k3h 1 . 1 . 730 . 1 1 54 ILE HG13 H 0.237 -9.161 1.756 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG13 . . . . . . . . . rr_1k3h 1 . 1 . 731 . 1 1 54 ILE HG21 H -0.042 -6.086 -0.550 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG21 . . . . . . . . . rr_1k3h 1 . 1 . 732 . 1 1 54 ILE HG22 H 1.494 -6.361 -1.286 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG22 . . . . . . . . . rr_1k3h 1 . 1 . 733 . 1 1 54 ILE HG23 H 0.217 -7.553 -1.513 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG23 . . . . . . . . . rr_1k3h 1 . 1 . 734 . 1 1 54 ILE N N 3.088 -8.327 1.602 . . . 1.0 . . . . . . . . . . . . A . 75 ILE N . . . . . . . . . rr_1k3h 1 . 1 . 735 . 1 1 54 ILE O O 3.572 -9.032 -1.660 . . . 1.0 . . . . . . . . . . . . A . 75 ILE O . . . . . . . . . rr_1k3h 1 . 1 . 736 . 1 1 55 ALA C C 6.286 -6.749 -0.595 . . . 1.0 . . . . . . . . . . . . A . 76 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 737 . 1 1 55 ALA CA C 5.105 -6.648 -1.575 . . . 1.0 . . . . . . . . . . . . A . 76 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 738 . 1 1 55 ALA CB C 5.018 -5.243 -2.180 . . . 1.0 . . . . . . . . . . . . A . 76 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 739 . 1 1 55 ALA H H 3.393 -6.190 -0.415 . . . 1.0 . . . . . . . . . . . . A . 76 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 740 . 1 1 55 ALA HA H 5.238 -7.376 -2.369 . . . 1.0 . . . . . . . . . . . . A . 76 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 741 . 1 1 55 ALA HB1 H 5.744 -5.137 -2.982 . . . 1.0 . . . . . . . . . . . . A . 76 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 742 . 1 1 55 ALA HB2 H 4.025 -5.069 -2.589 . . . 1.0 . . . . . . . . . . . . A . 76 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 743 . 1 1 55 ALA HB3 H 5.228 -4.496 -1.414 . . . 1.0 . . . . . . . . . . . . A . 76 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 744 . 1 1 55 ALA N N 3.850 -6.945 -0.895 . . . 1.0 . . . . . . . . . . . . A . 76 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 745 . 1 1 55 ALA O O 6.073 -6.725 0.618 . . . 1.0 . . . . . . . . . . . . A . 76 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 746 . 1 1 56 LYS C C 9.891 -6.034 -0.968 . . . 1.0 . . . . . . . . . . . . A . 77 LYS C . . . . . . . . . rr_1k3h 1 . 1 . 747 . 1 1 56 LYS CA C 8.737 -6.759 -0.261 . . . 1.0 . . . . . . . . . . . . A . 77 LYS CA . . . . . . . . . rr_1k3h 1 . 1 . 748 . 1 1 56 LYS CB C 9.191 -8.165 0.172 . . . 1.0 . . . . . . . . . . . . A . 77 LYS CB . . . . . . . . . rr_1k3h 1 . 1 . 749 . 1 1 56 LYS CD C 9.174 -9.836 2.044 . . . 1.0 . . . . . . . . . . . . A . 77 LYS CD . . . . . . . . . rr_1k3h 1 . 1 . 750 . 1 1 56 LYS CE C 8.403 -10.414 3.240 . . . 1.0 . . . . . . . . . . . . A . 77 LYS CE . . . . . . . . . rr_1k3h 1 . 1 . 751 . 1 1 56 LYS CG C 8.365 -8.739 1.334 . . . 1.0 . . . . . . . . . . . . A . 77 LYS CG . . . . . . . . . rr_1k3h 1 . 1 . 752 . 1 1 56 LYS H H 7.641 -6.843 -2.107 . . . 1.0 . . . . . . . . . . . . A . 77 LYS H . . . . . . . . . rr_1k3h 1 . 1 . 753 . 1 1 56 LYS HA H 8.525 -6.172 0.634 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HA . . . . . . . . . rr_1k3h 1 . 1 . 754 . 1 1 56 LYS HB2 H 9.165 -8.847 -0.679 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HB2 . . . . . . . . . rr_1k3h 1 . 1 . 755 . 1 1 56 LYS HB3 H 10.226 -8.093 0.509 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HB3 . . . . . . . . . rr_1k3h 1 . 1 . 756 . 1 1 56 LYS HD2 H 9.403 -10.627 1.325 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HD2 . . . . . . . . . rr_1k3h 1 . 1 . 757 . 1 1 56 LYS HD3 H 10.111 -9.397 2.393 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HD3 . . . . . . . . . rr_1k3h 1 . 1 . 758 . 1 1 56 LYS HE2 H 8.028 -9.596 3.859 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HE2 . . . . . . . . . rr_1k3h 1 . 1 . 759 . 1 1 56 LYS HE3 H 7.550 -10.988 2.871 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HE3 . . . . . . . . . rr_1k3h 1 . 1 . 760 . 1 1 56 LYS HG2 H 8.145 -7.944 2.048 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HG2 . . . . . . . . . rr_1k3h 1 . 1 . 761 . 1 1 56 LYS HG3 H 7.422 -9.134 0.951 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HG3 . . . . . . . . . rr_1k3h 1 . 1 . 762 . 1 1 56 LYS HZ1 H 10.014 -10.743 4.480 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HZ1 . . . . . . . . . rr_1k3h 1 . 1 . 763 . 1 1 56 LYS HZ2 H 8.707 -11.669 4.838 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HZ2 . . . . . . . . . rr_1k3h 1 . 1 . 764 . 1 1 56 LYS HZ3 H 9.640 -12.039 3.535 . . . 1.0 . . . . . . . . . . . . A . 77 LYS HZ3 . . . . . . . . . rr_1k3h 1 . 1 . 765 . 1 1 56 LYS N N 7.528 -6.822 -1.096 . . . 1.0 . . . . . . . . . . . . A . 77 LYS N . . . . . . . . . rr_1k3h 1 . 1 . 766 . 1 1 56 LYS NZ N 9.256 -11.281 4.082 . . . 1.0 . . . . . . . . . . . . A . 77 LYS NZ . . . . . . . . . rr_1k3h 1 . 1 . 767 . 1 1 56 LYS O O 9.884 -5.870 -2.183 . . . 1.0 . . . . . . . . . . . . A . 77 LYS O . . . . . . . . . rr_1k3h 1 . 1 . 768 . 1 1 57 GLY C C 11.747 -3.721 -1.544 . . . 1.0 . . . . . . . . . . . . A . 78 GLY C . . . . . . . . . rr_1k3h 1 . 1 . 769 . 1 1 57 GLY CA C 12.097 -4.962 -0.723 . . . 1.0 . . . . . . . . . . . . A . 78 GLY CA . . . . . . . . . rr_1k3h 1 . 1 . 770 . 1 1 57 GLY H H 10.848 -5.746 0.797 . . . 1.0 . . . . . . . . . . . . A . 78 GLY H . . . . . . . . . rr_1k3h 1 . 1 . 771 . 1 1 57 GLY HA2 H 12.744 -4.668 0.103 . . . 1.0 . . . . . . . . . . . . A . 78 GLY HA2 . . . . . . . . . rr_1k3h 1 . 1 . 772 . 1 1 57 GLY HA3 H 12.632 -5.679 -1.348 . . . 1.0 . . . . . . . . . . . . A . 78 GLY HA3 . . . . . . . . . rr_1k3h 1 . 1 . 773 . 1 1 57 GLY N N 10.901 -5.612 -0.199 . . . 1.0 . . . . . . . . . . . . A . 78 GLY N . . . . . . . . . rr_1k3h 1 . 1 . 774 . 1 1 57 GLY O O 10.762 -3.039 -1.252 . . . 1.0 . . . . . . . . . . . . A . 78 GLY O . . . . . . . . . rr_1k3h 1 . 1 . 775 . 1 1 58 ALA C C 10.886 -2.224 -3.995 . . . 1.0 . . . . . . . . . . . . A . 79 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 776 . 1 1 58 ALA CA C 12.329 -2.341 -3.503 . . . 1.0 . . . . . . . . . . . . A . 79 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 777 . 1 1 58 ALA CB C 13.296 -2.435 -4.686 . . . 1.0 . . . . . . . . . . . . A . 79 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 778 . 1 1 58 ALA H H 13.318 -4.068 -2.767 . . . 1.0 . . . . . . . . . . . . A . 79 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 779 . 1 1 58 ALA HA H 12.584 -1.440 -2.945 . . . 1.0 . . . . . . . . . . . . A . 79 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 780 . 1 1 58 ALA HB1 H 14.320 -2.517 -4.320 . . . 1.0 . . . . . . . . . . . . A . 79 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 781 . 1 1 58 ALA HB2 H 13.058 -3.302 -5.302 . . . 1.0 . . . . . . . . . . . . A . 79 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 782 . 1 1 58 ALA HB3 H 13.211 -1.531 -5.291 . . . 1.0 . . . . . . . . . . . . A . 79 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 783 . 1 1 58 ALA N N 12.510 -3.485 -2.618 . . . 1.0 . . . . . . . . . . . . A . 79 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 784 . 1 1 58 ALA O O 10.403 -1.120 -4.229 . . . 1.0 . . . . . . . . . . . . A . 79 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 785 . 1 1 59 GLU C C 8.013 -2.596 -3.435 . . . 1.0 . . . . . . . . . . . . A . 80 GLU C . . . . . . . . . rr_1k3h 1 . 1 . 786 . 1 1 59 GLU CA C 8.789 -3.433 -4.466 . . . 1.0 . . . . . . . . . . . . A . 80 GLU CA . . . . . . . . . rr_1k3h 1 . 1 . 787 . 1 1 59 GLU CB C 8.378 -4.922 -4.470 . . . 1.0 . . . . . . . . . . . . A . 80 GLU CB . . . . . . . . . rr_1k3h 1 . 1 . 788 . 1 1 59 GLU CD C 6.792 -6.705 -5.340 . . . 1.0 . . . . . . . . . . . . A . 80 GLU CD . . . . . . . . . rr_1k3h 1 . 1 . 789 . 1 1 59 GLU CG C 7.300 -5.279 -5.485 . . . 1.0 . . . . . . . . . . . . A . 80 GLU CG . . . . . . . . . rr_1k3h 1 . 1 . 790 . 1 1 59 GLU H H 10.658 -4.226 -3.880 . . . 1.0 . . . . . . . . . . . . A . 80 GLU H . . . . . . . . . rr_1k3h 1 . 1 . 791 . 1 1 59 GLU HA H 8.639 -3.009 -5.458 . . . 1.0 . . . . . . . . . . . . A . 80 GLU HA . . . . . . . . . rr_1k3h 1 . 1 . 792 . 1 1 59 GLU HB2 H 9.229 -5.553 -4.719 . . . 1.0 . . . . . . . . . . . . A . 80 GLU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 793 . 1 1 59 GLU HB3 H 8.009 -5.204 -3.488 . . . 1.0 . . . . . . . . . . . . A . 80 GLU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 794 . 1 1 59 GLU HG2 H 6.459 -4.621 -5.324 . . . 1.0 . . . . . . . . . . . . A . 80 GLU HG2 . . . . . . . . . rr_1k3h 1 . 1 . 795 . 1 1 59 GLU HG3 H 7.687 -5.150 -6.494 . . . 1.0 . . . . . . . . . . . . A . 80 GLU HG3 . . . . . . . . . rr_1k3h 1 . 1 . 796 . 1 1 59 GLU N N 10.205 -3.365 -4.149 . . . 1.0 . . . . . . . . . . . . A . 80 GLU N . . . . . . . . . rr_1k3h 1 . 1 . 797 . 1 1 59 GLU O O 7.381 -1.594 -3.766 . . . 1.0 . . . . . . . . . . . . A . 80 GLU O . . . . . . . . . rr_1k3h 1 . 1 . 798 . 1 1 59 GLU OE1 O 6.697 -7.220 -4.207 . . . 1.0 . . . . . . . . . . . . A . 80 GLU OE1 . . . . . . . . . rr_1k3h 1 . 1 . 799 . 1 1 59 GLU OE2 O 6.346 -7.292 -6.343 . . . 1.0 . . . . . . . . . . . . A . 80 GLU OE2 . . . . . . . . . rr_1k3h 1 . 1 . 800 . 1 1 60 ALA C C 7.885 -0.869 -0.927 . . . 1.0 . . . . . . . . . . . . A . 81 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 801 . 1 1 60 ALA CA C 7.438 -2.327 -1.054 . . . 1.0 . . . . . . . . . . . . A . 81 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 802 . 1 1 60 ALA CB C 7.688 -3.102 0.244 . . . 1.0 . . . . . . . . . . . . A . 81 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 803 . 1 1 60 ALA H H 8.789 -3.711 -1.962 . . . 1.0 . . . . . . . . . . . . A . 81 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 804 . 1 1 60 ALA HA H 6.365 -2.334 -1.248 . . . 1.0 . . . . . . . . . . . . A . 81 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 805 . 1 1 60 ALA HB1 H 7.150 -2.625 1.061 . . . 1.0 . . . . . . . . . . . . A . 81 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 806 . 1 1 60 ALA HB2 H 7.323 -4.122 0.140 . . . 1.0 . . . . . . . . . . . . A . 81 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 807 . 1 1 60 ALA HB3 H 8.752 -3.123 0.482 . . . 1.0 . . . . . . . . . . . . A . 81 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 808 . 1 1 60 ALA N N 8.110 -2.989 -2.163 . . . 1.0 . . . . . . . . . . . . A . 81 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 809 . 1 1 60 ALA O O 7.045 0.025 -0.827 . . . 1.0 . . . . . . . . . . . . A . 81 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 810 . 1 1 61 GLU C C 9.230 1.646 -1.862 . . . 1.0 . . . . . . . . . . . . A . 82 GLU C . . . . . . . . . rr_1k3h 1 . 1 . 811 . 1 1 61 GLU CA C 9.783 0.696 -0.798 . . . 1.0 . . . . . . . . . . . . A . 82 GLU CA . . . . . . . . . rr_1k3h 1 . 1 . 812 . 1 1 61 GLU CB C 11.310 0.585 -0.871 . . . 1.0 . . . . . . . . . . . . A . 82 GLU CB . . . . . . . . . rr_1k3h 1 . 1 . 813 . 1 1 61 GLU CD C 13.363 -0.504 0.120 . . . 1.0 . . . . . . . . . . . . A . 82 GLU CD . . . . . . . . . rr_1k3h 1 . 1 . 814 . 1 1 61 GLU CG C 11.881 -0.209 0.313 . . . 1.0 . . . . . . . . . . . . A . 82 GLU CG . . . . . . . . . rr_1k3h 1 . 1 . 815 . 1 1 61 GLU H H 9.831 -1.427 -1.017 . . . 1.0 . . . . . . . . . . . . A . 82 GLU H . . . . . . . . . rr_1k3h 1 . 1 . 816 . 1 1 61 GLU HA H 9.521 1.115 0.173 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HA . . . . . . . . . rr_1k3h 1 . 1 . 817 . 1 1 61 GLU HB2 H 11.589 0.101 -1.803 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 818 . 1 1 61 GLU HB3 H 11.759 1.578 -0.866 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 819 . 1 1 61 GLU HG2 H 11.754 0.369 1.229 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HG2 . . . . . . . . . rr_1k3h 1 . 1 . 820 . 1 1 61 GLU HG3 H 11.370 -1.161 0.436 . . . 1.0 . . . . . . . . . . . . A . 82 GLU HG3 . . . . . . . . . rr_1k3h 1 . 1 . 821 . 1 1 61 GLU N N 9.200 -0.635 -0.932 . . . 1.0 . . . . . . . . . . . . A . 82 GLU N . . . . . . . . . rr_1k3h 1 . 1 . 822 . 1 1 61 GLU O O 8.752 2.735 -1.542 . . . 1.0 . . . . . . . . . . . . A . 82 GLU O . . . . . . . . . rr_1k3h 1 . 1 . 823 . 1 1 61 GLU OE1 O 13.653 -1.514 -0.558 . . . 1.0 . . . . . . . . . . . . A . 82 GLU OE1 . . . . . . . . . rr_1k3h 1 . 1 . 824 . 1 1 61 GLU OE2 O 14.174 0.289 0.642 . . . 1.0 . . . . . . . . . . . . A . 82 GLU OE2 . . . . . . . . . rr_1k3h 1 . 1 . 825 . 1 1 62 ALA C C 7.307 2.376 -4.005 . . . 1.0 . . . . . . . . . . . . A . 83 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 826 . 1 1 62 ALA CA C 8.777 2.032 -4.234 . . . 1.0 . . . . . . . . . . . . A . 83 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 827 . 1 1 62 ALA CB C 8.985 1.294 -5.559 . . . 1.0 . . . . . . . . . . . . A . 83 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 828 . 1 1 62 ALA H H 9.648 0.308 -3.340 . . . 1.0 . . . . . . . . . . . . A . 83 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 829 . 1 1 62 ALA HA H 9.347 2.961 -4.270 . . . 1.0 . . . . . . . . . . . . A . 83 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 830 . 1 1 62 ALA HB1 H 8.439 0.350 -5.561 . . . 1.0 . . . . . . . . . . . . A . 83 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 831 . 1 1 62 ALA HB2 H 8.629 1.915 -6.380 . . . 1.0 . . . . . . . . . . . . A . 83 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 832 . 1 1 62 ALA HB3 H 10.047 1.098 -5.706 . . . 1.0 . . . . . . . . . . . . A . 83 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 833 . 1 1 62 ALA N N 9.278 1.230 -3.131 . . . 1.0 . . . . . . . . . . . . A . 83 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 834 . 1 1 62 ALA O O 6.927 3.544 -4.088 . . . 1.0 . . . . . . . . . . . . A . 83 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 835 . 1 1 63 VAL C C 4.876 2.615 -2.313 . . . 1.0 . . . . . . . . . . . . A . 84 VAL C . . . . . . . . . rr_1k3h 1 . 1 . 836 . 1 1 63 VAL CA C 5.068 1.596 -3.434 . . . 1.0 . . . . . . . . . . . . A . 84 VAL CA . . . . . . . . . rr_1k3h 1 . 1 . 837 . 1 1 63 VAL CB C 4.348 0.275 -3.145 . . . 1.0 . . . . . . . . . . . . A . 84 VAL CB . . . . . . . . . rr_1k3h 1 . 1 . 838 . 1 1 63 VAL CG1 C 2.905 0.546 -2.705 . . . 1.0 . . . . . . . . . . . . A . 84 VAL CG1 . . . . . . . . . rr_1k3h 1 . 1 . 839 . 1 1 63 VAL CG2 C 4.319 -0.568 -4.421 . . . 1.0 . . . . . . . . . . . . A . 84 VAL CG2 . . . . . . . . . rr_1k3h 1 . 1 . 840 . 1 1 63 VAL H H 6.852 0.424 -3.627 . . . 1.0 . . . . . . . . . . . . A . 84 VAL H . . . . . . . . . rr_1k3h 1 . 1 . 841 . 1 1 63 VAL HA H 4.619 2.031 -4.325 . . . 1.0 . . . . . . . . . . . . A . 84 VAL HA . . . . . . . . . rr_1k3h 1 . 1 . 842 . 1 1 63 VAL HB H 4.857 -0.281 -2.357 . . . 1.0 . . . . . . . . . . . . A . 84 VAL HB . . . . . . . . . rr_1k3h 1 . 1 . 843 . 1 1 63 VAL HG11 H 2.890 0.961 -1.697 . . . 1.0 . . . . . . . . . . . . A . 84 VAL HG11 . . . . . . . . . rr_1k3h 1 . 1 . 844 . 1 1 63 VAL HG12 H 2.434 1.255 -3.384 . . . 1.0 . . . . . . . . . . . . A . 84 VAL HG12 . . . . . . . . . rr_1k3h 1 . 1 . 845 . 1 1 63 VAL HG13 H 2.342 -0.385 -2.712 . . . 1.0 . . . . . . . . . . . . A . 84 VAL HG13 . . . . . . . . . rr_1k3h 1 . 1 . 846 . 1 1 63 VAL HG21 H 5.312 -0.905 -4.694 . . . 1.0 . . . . . . . . . . . . A . 84 VAL HG21 . . . . . . . . . rr_1k3h 1 . 1 . 847 . 1 1 63 VAL HG22 H 3.679 -1.433 -4.263 . . . 1.0 . . . . . . . . . . . . A . 84 VAL HG22 . . . . . . . . . rr_1k3h 1 . 1 . 848 . 1 1 63 VAL HG23 H 3.937 0.029 -5.244 . . . 1.0 . . . . . . . . . . . . A . 84 VAL HG23 . . . . . . . . . rr_1k3h 1 . 1 . 849 . 1 1 63 VAL N N 6.481 1.369 -3.702 . . . 1.0 . . . . . . . . . . . . A . 84 VAL N . . . . . . . . . rr_1k3h 1 . 1 . 850 . 1 1 63 VAL O O 4.183 3.609 -2.500 . . . 1.0 . . . . . . . . . . . . A . 84 VAL O . . . . . . . . . rr_1k3h 1 . 1 . 851 . 1 1 64 ALA C C 5.768 4.695 -0.399 . . . 1.0 . . . . . . . . . . . . A . 85 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 852 . 1 1 64 ALA CA C 5.419 3.258 -0.005 . . . 1.0 . . . . . . . . . . . . A . 85 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 853 . 1 1 64 ALA CB C 6.350 2.750 1.095 . . . 1.0 . . . . . . . . . . . . A . 85 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 854 . 1 1 64 ALA H H 5.966 1.484 -1.063 . . . 1.0 . . . . . . . . . . . . A . 85 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 855 . 1 1 64 ALA HA H 4.400 3.249 0.381 . . . 1.0 . . . . . . . . . . . . A . 85 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 856 . 1 1 64 ALA HB1 H 7.385 2.750 0.754 . . . 1.0 . . . . . . . . . . . . A . 85 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 857 . 1 1 64 ALA HB2 H 6.261 3.402 1.963 . . . 1.0 . . . . . . . . . . . . A . 85 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 858 . 1 1 64 ALA HB3 H 6.069 1.737 1.379 . . . 1.0 . . . . . . . . . . . . A . 85 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 859 . 1 1 64 ALA N N 5.470 2.361 -1.149 . . . 1.0 . . . . . . . . . . . . A . 85 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 860 . 1 1 64 ALA O O 5.000 5.612 -0.117 . . . 1.0 . . . . . . . . . . . . A . 85 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 861 . 1 1 65 ALA C C 6.347 6.881 -2.404 . . . 1.0 . . . . . . . . . . . . A . 86 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 862 . 1 1 65 ALA CA C 7.369 6.216 -1.476 . . . 1.0 . . . . . . . . . . . . A . 86 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 863 . 1 1 65 ALA CB C 8.737 6.092 -2.154 . . . 1.0 . . . . . . . . . . . . A . 86 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 864 . 1 1 65 ALA H H 7.483 4.085 -1.284 . . . 1.0 . . . . . . . . . . . . A . 86 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 865 . 1 1 65 ALA HA H 7.493 6.843 -0.593 . . . 1.0 . . . . . . . . . . . . A . 86 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 866 . 1 1 65 ALA HB1 H 9.058 7.072 -2.509 . . . 1.0 . . . . . . . . . . . . A . 86 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 867 . 1 1 65 ALA HB2 H 9.468 5.717 -1.437 . . . 1.0 . . . . . . . . . . . . A . 86 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 868 . 1 1 65 ALA HB3 H 8.682 5.406 -3.000 . . . 1.0 . . . . . . . . . . . . A . 86 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 869 . 1 1 65 ALA N N 6.912 4.894 -1.057 . . . 1.0 . . . . . . . . . . . . A . 86 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 870 . 1 1 65 ALA O O 5.929 8.018 -2.188 . . . 1.0 . . . . . . . . . . . . A . 86 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 871 . 1 1 66 TRP C C 3.657 7.028 -3.712 . . . 1.0 . . . . . . . . . . . . A . 87 TRP C . . . . . . . . . rr_1k3h 1 . 1 . 872 . 1 1 66 TRP CA C 4.960 6.622 -4.414 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CA . . . . . . . . . rr_1k3h 1 . 1 . 873 . 1 1 66 TRP CB C 4.784 5.493 -5.429 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CB . . . . . . . . . rr_1k3h 1 . 1 . 874 . 1 1 66 TRP CD1 C 3.912 6.362 -7.645 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CD1 . . . . . . . . . rr_1k3h 1 . 1 . 875 . 1 1 66 TRP CD2 C 2.455 5.030 -6.591 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CD2 . . . . . . . . . rr_1k3h 1 . 1 . 876 . 1 1 66 TRP CE2 C 1.856 5.387 -7.833 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CE2 . . . . . . . . . rr_1k3h 1 . 1 . 877 . 1 1 66 TRP CE3 C 1.732 4.165 -5.752 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CE3 . . . . . . . . . rr_1k3h 1 . 1 . 878 . 1 1 66 TRP CG C 3.761 5.661 -6.502 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CG . . . . . . . . . rr_1k3h 1 . 1 . 879 . 1 1 66 TRP CH2 C -0.128 4.105 -7.325 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CH2 . . . . . . . . . rr_1k3h 1 . 1 . 880 . 1 1 66 TRP CZ2 C 0.592 4.916 -8.218 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CZ2 . . . . . . . . . rr_1k3h 1 . 1 . 881 . 1 1 66 TRP CZ3 C 0.441 3.740 -6.099 . . . 1.0 . . . . . . . . . . . . A . 87 TRP CZ3 . . . . . . . . . rr_1k3h 1 . 1 . 882 . 1 1 66 TRP H H 6.275 5.201 -3.532 . . . 1.0 . . . . . . . . . . . . A . 87 TRP H . . . . . . . . . rr_1k3h 1 . 1 . 883 . 1 1 66 TRP HA H 5.364 7.495 -4.929 . . . 1.0 . . . . . . . . . . . . A . 87 TRP HA . . . . . . . . . rr_1k3h 1 . 1 . 884 . 1 1 66 TRP HB2 H 5.747 5.323 -5.913 . . . 1.0 . . . . . . . . . . . . A . 87 TRP HB2 . . . . . . . . . rr_1k3h 1 . 1 . 885 . 1 1 66 TRP HB3 H 4.525 4.588 -4.882 . . . 1.0 . . . . . . . . . . . . A . 87 TRP HB3 . . . . . . . . . rr_1k3h 1 . 1 . 886 . 1 1 66 TRP HD1 H 4.798 6.920 -7.896 . . . 1.0 . . . . . . . . . . . . A . 87 TRP HD1 . . . . . . . . . rr_1k3h 1 . 1 . 887 . 1 1 66 TRP HE1 H 2.732 6.500 -9.419 . . . 1.0 . . . . . . . . . . . . A . 87 TRP HE1 . . . . . . . . . rr_1k3h 1 . 1 . 888 . 1 1 66 TRP HE3 H 2.169 3.845 -4.818 . . . 1.0 . . . . . . . . . . . . A . 87 TRP HE3 . . . . . . . . . rr_1k3h 1 . 1 . 889 . 1 1 66 TRP HH2 H -1.121 3.755 -7.544 . . . 1.0 . . . . . . . . . . . . A . 87 TRP HH2 . . . . . . . . . rr_1k3h 1 . 1 . 890 . 1 1 66 TRP HZ2 H 0.178 5.190 -9.178 . . . 1.0 . . . . . . . . . . . . A . 87 TRP HZ2 . . . . . . . . . rr_1k3h 1 . 1 . 891 . 1 1 66 TRP HZ3 H -0.121 3.124 -5.417 . . . 1.0 . . . . . . . . . . . . A . 87 TRP HZ3 . . . . . . . . . rr_1k3h 1 . 1 . 892 . 1 1 66 TRP N N 5.930 6.153 -3.438 . . . 1.0 . . . . . . . . . . . . A . 87 TRP N . . . . . . . . . rr_1k3h 1 . 1 . 893 . 1 1 66 TRP NE1 N 2.800 6.183 -8.444 . . . 1.0 . . . . . . . . . . . . A . 87 TRP NE1 . . . . . . . . . rr_1k3h 1 . 1 . 894 . 1 1 66 TRP O O 3.126 8.115 -3.929 . . . 1.0 . . . . . . . . . . . . A . 87 TRP O . . . . . . . . . rr_1k3h 1 . 1 . 895 . 1 1 67 LEU C C 2.256 7.696 -1.075 . . . 1.0 . . . . . . . . . . . . A . 88 LEU C . . . . . . . . . rr_1k3h 1 . 1 . 896 . 1 1 67 LEU CA C 2.001 6.508 -1.995 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CA . . . . . . . . . rr_1k3h 1 . 1 . 897 . 1 1 67 LEU CB C 1.507 5.322 -1.171 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CB . . . . . . . . . rr_1k3h 1 . 1 . 898 . 1 1 67 LEU CD1 C -0.024 3.399 -1.050 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CD1 . . . . . . . . . rr_1k3h 1 . 1 . 899 . 1 1 67 LEU CD2 C -0.189 4.711 -3.026 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CD2 . . . . . . . . . rr_1k3h 1 . 1 . 900 . 1 1 67 LEU CG C 0.828 4.223 -1.996 . . . 1.0 . . . . . . . . . . . . A . 88 LEU CG . . . . . . . . . rr_1k3h 1 . 1 . 901 . 1 1 67 LEU H H 3.622 5.288 -2.708 . . . 1.0 . . . . . . . . . . . . A . 88 LEU H . . . . . . . . . rr_1k3h 1 . 1 . 902 . 1 1 67 LEU HA H 1.201 6.827 -2.657 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HA . . . . . . . . . rr_1k3h 1 . 1 . 903 . 1 1 67 LEU HB2 H 2.335 4.897 -0.602 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 904 . 1 1 67 LEU HB3 H 0.774 5.710 -0.461 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 905 . 1 1 67 LEU HD11 H -0.428 2.561 -1.616 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD11 . . . . . . . . . rr_1k3h 1 . 1 . 906 . 1 1 67 LEU HD12 H 0.577 3.060 -0.211 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD12 . . . . . . . . . rr_1k3h 1 . 1 . 907 . 1 1 67 LEU HD13 H -0.836 4.042 -0.703 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD13 . . . . . . . . . rr_1k3h 1 . 1 . 908 . 1 1 67 LEU HD21 H 0.308 5.226 -3.841 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD21 . . . . . . . . . rr_1k3h 1 . 1 . 909 . 1 1 67 LEU HD22 H -0.712 3.830 -3.403 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD22 . . . . . . . . . rr_1k3h 1 . 1 . 910 . 1 1 67 LEU HD23 H -0.911 5.381 -2.561 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HD23 . . . . . . . . . rr_1k3h 1 . 1 . 911 . 1 1 67 LEU HG H 1.575 3.592 -2.475 . . . 1.0 . . . . . . . . . . . . A . 88 LEU HG . . . . . . . . . rr_1k3h 1 . 1 . 912 . 1 1 67 LEU N N 3.152 6.176 -2.822 . . . 1.0 . . . . . . . . . . . . A . 88 LEU N . . . . . . . . . rr_1k3h 1 . 1 . 913 . 1 1 67 LEU O O 1.333 8.471 -0.858 . . . 1.0 . . . . . . . . . . . . A . 88 LEU O . . . . . . . . . rr_1k3h 1 . 1 . 914 . 1 1 68 ALA C C 3.516 10.314 -0.626 . . . 1.0 . . . . . . . . . . . . A . 89 ALA C . . . . . . . . . rr_1k3h 1 . 1 . 915 . 1 1 68 ALA CA C 3.824 9.069 0.205 . . . 1.0 . . . . . . . . . . . . A . 89 ALA CA . . . . . . . . . rr_1k3h 1 . 1 . 916 . 1 1 68 ALA CB C 5.294 9.037 0.633 . . . 1.0 . . . . . . . . . . . . A . 89 ALA CB . . . . . . . . . rr_1k3h 1 . 1 . 917 . 1 1 68 ALA H H 4.180 7.161 -0.700 . . . 1.0 . . . . . . . . . . . . A . 89 ALA H . . . . . . . . . rr_1k3h 1 . 1 . 918 . 1 1 68 ALA HA H 3.221 9.088 1.111 . . . 1.0 . . . . . . . . . . . . A . 89 ALA HA . . . . . . . . . rr_1k3h 1 . 1 . 919 . 1 1 68 ALA HB1 H 5.371 9.262 1.698 . . . 1.0 . . . . . . . . . . . . A . 89 ALA HB1 . . . . . . . . . rr_1k3h 1 . 1 . 920 . 1 1 68 ALA HB2 H 5.706 8.050 0.451 . . . 1.0 . . . . . . . . . . . . A . 89 ALA HB2 . . . . . . . . . rr_1k3h 1 . 1 . 921 . 1 1 68 ALA HB3 H 5.881 9.769 0.077 . . . 1.0 . . . . . . . . . . . . A . 89 ALA HB3 . . . . . . . . . rr_1k3h 1 . 1 . 922 . 1 1 68 ALA N N 3.468 7.868 -0.545 . . . 1.0 . . . . . . . . . . . . A . 89 ALA N . . . . . . . . . rr_1k3h 1 . 1 . 923 . 1 1 68 ALA O O 2.984 11.298 -0.111 . . . 1.0 . . . . . . . . . . . . A . 89 ALA O . . . . . . . . . rr_1k3h 1 . 1 . 924 . 1 1 69 GLU C C 1.906 11.377 -3.016 . . . 1.0 . . . . . . . . . . . . A . 90 GLU C . . . . . . . . . rr_1k3h 1 . 1 . 925 . 1 1 69 GLU CA C 3.432 11.289 -2.867 . . . 1.0 . . . . . . . . . . . . A . 90 GLU CA . . . . . . . . . rr_1k3h 1 . 1 . 926 . 1 1 69 GLU CB C 4.131 11.103 -4.226 . . . 1.0 . . . . . . . . . . . . A . 90 GLU CB . . . . . . . . . rr_1k3h 1 . 1 . 927 . 1 1 69 GLU CD C 5.886 12.060 -5.810 . . . 1.0 . . . . . . . . . . . . A . 90 GLU CD . . . . . . . . . rr_1k3h 1 . 1 . 928 . 1 1 69 GLU CG C 5.235 12.150 -4.433 . . . 1.0 . . . . . . . . . . . . A . 90 GLU CG . . . . . . . . . rr_1k3h 1 . 1 . 929 . 1 1 69 GLU H H 4.307 9.429 -2.271 . . . 1.0 . . . . . . . . . . . . A . 90 GLU H . . . . . . . . . rr_1k3h 1 . 1 . 930 . 1 1 69 GLU HA H 3.756 12.245 -2.454 . . . 1.0 . . . . . . . . . . . . A . 90 GLU HA . . . . . . . . . rr_1k3h 1 . 1 . 931 . 1 1 69 GLU HB2 H 4.577 10.112 -4.317 . . . 1.0 . . . . . . . . . . . . A . 90 GLU HB2 . . . . . . . . . rr_1k3h 1 . 1 . 932 . 1 1 69 GLU HB3 H 3.403 11.216 -5.031 . . . 1.0 . . . . . . . . . . . . A . 90 GLU HB3 . . . . . . . . . rr_1k3h 1 . 1 . 933 . 1 1 69 GLU HG2 H 4.811 13.150 -4.341 . . . 1.0 . . . . . . . . . . . . A . 90 GLU HG2 . . . . . . . . . rr_1k3h 1 . 1 . 934 . 1 1 69 GLU HG3 H 6.010 12.019 -3.677 . . . 1.0 . . . . . . . . . . . . A . 90 GLU HG3 . . . . . . . . . rr_1k3h 1 . 1 . 935 . 1 1 69 GLU N N 3.830 10.256 -1.924 . . . 1.0 . . . . . . . . . . . . A . 90 GLU N . . . . . . . . . rr_1k3h 1 . 1 . 936 . 1 1 69 GLU O O 1.389 12.488 -3.134 . . . 1.0 . . . . . . . . . . . . A . 90 GLU O . . . . . . . . . rr_1k3h 1 . 1 . 937 . 1 1 69 GLU OE1 O 5.402 11.249 -6.630 . . . 1.0 . . . . . . . . . . . . A . 90 GLU OE1 . . . . . . . . . rr_1k3h 1 . 1 . 938 . 1 1 69 GLU OE2 O 6.854 12.822 -6.019 . . . 1.0 . . . . . . . . . . . . A . 90 GLU OE2 . . . . . . . . . rr_1k3h 1 . 1 . 939 . 1 1 70 LYS C C -1.034 10.854 -2.082 . . . 1.0 . . . . . . . . . . . . A . 91 LYS C . . . . . . . . . rr_1k3h 1 . 1 . 940 . 1 1 70 LYS CA C -0.265 10.312 -3.296 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CA . . . . . . . . . rr_1k3h 1 . 1 . 941 . 1 1 70 LYS CB C -0.782 8.944 -3.742 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CB . . . . . . . . . rr_1k3h 1 . 1 . 942 . 1 1 70 LYS CD C -0.995 7.368 -5.717 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CD . . . . . . . . . rr_1k3h 1 . 1 . 943 . 1 1 70 LYS CE C -2.215 7.783 -6.566 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CE . . . . . . . . . rr_1k3h 1 . 1 . 944 . 1 1 70 LYS CG C -0.206 8.534 -5.102 . . . 1.0 . . . . . . . . . . . . A . 91 LYS CG . . . . . . . . . rr_1k3h 1 . 1 . 945 . 1 1 70 LYS H H 1.578 9.351 -2.804 . . . 1.0 . . . . . . . . . . . . A . 91 LYS H . . . . . . . . . rr_1k3h 1 . 1 . 946 . 1 1 70 LYS HA H -0.430 11.001 -4.127 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HA . . . . . . . . . rr_1k3h 1 . 1 . 947 . 1 1 70 LYS HB2 H -0.563 8.193 -2.984 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HB2 . . . . . . . . . rr_1k3h 1 . 1 . 948 . 1 1 70 LYS HB3 H -1.855 9.019 -3.827 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HB3 . . . . . . . . . rr_1k3h 1 . 1 . 949 . 1 1 70 LYS HD2 H -0.303 6.849 -6.384 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HD2 . . . . . . . . . rr_1k3h 1 . 1 . 950 . 1 1 70 LYS HD3 H -1.289 6.662 -4.939 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HD3 . . . . . . . . . rr_1k3h 1 . 1 . 951 . 1 1 70 LYS HE2 H -1.862 8.420 -7.380 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HE2 . . . . . . . . . rr_1k3h 1 . 1 . 952 . 1 1 70 LYS HE3 H -2.631 6.881 -7.018 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HE3 . . . . . . . . . rr_1k3h 1 . 1 . 953 . 1 1 70 LYS HG2 H -0.187 9.378 -5.794 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HG2 . . . . . . . . . rr_1k3h 1 . 1 . 954 . 1 1 70 LYS HG3 H 0.828 8.219 -4.946 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HG3 . . . . . . . . . rr_1k3h 1 . 1 . 955 . 1 1 70 LYS HZ1 H -2.963 9.380 -5.462 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HZ1 . . . . . . . . . rr_1k3h 1 . 1 . 956 . 1 1 70 LYS HZ2 H -4.083 8.693 -6.416 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HZ2 . . . . . . . . . rr_1k3h 1 . 1 . 957 . 1 1 70 LYS HZ3 H -3.711 8.003 -5.038 . . . 1.0 . . . . . . . . . . . . A . 91 LYS HZ3 . . . . . . . . . rr_1k3h 1 . 1 . 958 . 1 1 70 LYS N N 1.169 10.256 -3.034 . . . 1.0 . . . . . . . . . . . . A . 91 LYS N . . . . . . . . . rr_1k3h 1 . 1 . 959 . 1 1 70 LYS NZ N -3.289 8.497 -5.823 . . . 1.0 . . . . . . . . . . . . A . 91 LYS NZ . . . . . . . . . rr_1k3h 1 . 1 . 960 . 1 1 70 LYS O O -0.857 10.392 -0.954 . . . 1.0 . . . . . . . . . . . . A . 91 LYS O . . . . . . . . . rr_1k3h 1 . 1 . 961 . 1 1 71 LYS C C -3.857 13.129 -2.041 . . . 1.0 . . . . . . . . . . . . A . 92 LYS C . . . . . . . . . rr_1k3h 1 . 1 . 962 . 1 1 71 LYS CA C -2.607 12.630 -1.321 . . . 1.0 . . . . . . . . . . . . A . 92 LYS CA . . . . . . . . . rr_1k3h 1 . 1 . 963 . 1 1 71 LYS CB C -1.791 13.828 -0.818 . . . 1.0 . . . . . . . . . . . . A . 92 LYS CB . . . . . . . . . rr_1k3h 1 . 1 . 964 . 1 1 71 LYS CD C 0.399 14.633 0.146 . . . 1.0 . . . . . . . . . . . . A . 92 LYS CD . . . . . . . . . rr_1k3h 1 . 1 . 965 . 1 1 71 LYS CE C 1.859 14.190 0.316 . . . 1.0 . . . . . . . . . . . . A . 92 LYS CE . . . . . . . . . rr_1k3h 1 . 1 . 966 . 1 1 71 LYS CG C -0.440 13.410 -0.228 . . . 1.0 . . . . . . . . . . . . A . 92 LYS CG . . . . . . . . . rr_1k3h 1 . 1 . 967 . 1 1 71 LYS H H -2.090 12.184 -3.253 . . . 1.0 . . . . . . . . . . . . A . 92 LYS H . . . . . . . . . rr_1k3h 1 . 1 . 968 . 1 1 71 LYS HA H -2.890 12.002 -0.482 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HA . . . . . . . . . rr_1k3h 1 . 1 . 969 . 1 1 71 LYS HB2 H -1.623 14.502 -1.659 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HB2 . . . . . . . . . rr_1k3h 1 . 1 . 970 . 1 1 71 LYS HB3 H -2.373 14.356 -0.061 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HB3 . . . . . . . . . rr_1k3h 1 . 1 . 971 . 1 1 71 LYS HD2 H 0.325 15.354 -0.670 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HD2 . . . . . . . . . rr_1k3h 1 . 1 . 972 . 1 1 71 LYS HD3 H 0.004 15.079 1.061 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HD3 . . . . . . . . . rr_1k3h 1 . 1 . 973 . 1 1 71 LYS HE2 H 1.956 13.575 1.215 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HE2 . . . . . . . . . rr_1k3h 1 . 1 . 974 . 1 1 71 LYS HE3 H 2.155 13.591 -0.546 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HE3 . . . . . . . . . rr_1k3h 1 . 1 . 975 . 1 1 71 LYS HG2 H -0.591 12.756 0.632 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HG2 . . . . . . . . . rr_1k3h 1 . 1 . 976 . 1 1 71 LYS HG3 H 0.110 12.861 -0.986 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HG3 . . . . . . . . . rr_1k3h 1 . 1 . 977 . 1 1 71 LYS HZ1 H 2.560 15.933 1.156 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HZ1 . . . . . . . . . rr_1k3h 1 . 1 . 978 . 1 1 71 LYS HZ2 H 3.730 14.986 0.481 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HZ2 . . . . . . . . . rr_1k3h 1 . 1 . 979 . 1 1 71 LYS HZ3 H 2.729 15.858 -0.486 . . . 1.0 . . . . . . . . . . . . A . 92 LYS HZ3 . . . . . . . . . rr_1k3h 1 . 1 . 980 . 1 1 71 LYS N N -1.856 11.882 -2.312 . . . 1.0 . . . . . . . . . . . . A . 92 LYS N . . . . . . . . . rr_1k3h 1 . 1 . 981 . 1 1 71 LYS NZ N 2.787 15.333 0.376 . . . 1.0 . . . . . . . . . . . . A . 92 LYS NZ . . . . . . . . . rr_1k3h 1 . 1 . 982 . 1 1 71 LYS O O -4.831 13.472 -1.336 . . . 1.0 . . . . . . . . . . . . A . 92 LYS O . . . . . . . . . rr_1k3h 1 . 1 . 983 . 1 1 71 LYS OXT O -3.782 13.175 -3.292 . . . 1.0 . . . . . . . . . . . . A . 92 LYS OXT . . . . . . . . . rr_1k3h 1 . 1 . 984 . 2 2 1 HEC C1A C -3.636 -0.469 4.728 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C1A . . . . . . . . . rr_1k3h 1 . 1 . 985 . 2 2 1 HEC C1B C -1.321 -1.202 1.155 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C1B . . . . . . . . . rr_1k3h 1 . 1 . 986 . 2 2 1 HEC C1C C -3.469 -4.977 0.611 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C1C . . . . . . . . . rr_1k3h 1 . 1 . 987 . 2 2 1 HEC C1D C -6.118 -3.916 3.839 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C1D . . . . . . . . . rr_1k3h 1 . 1 . 988 . 2 2 1 HEC C2A C -2.969 0.753 5.110 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C2A . . . . . . . . . rr_1k3h 1 . 1 . 989 . 2 2 1 HEC C2B C -0.499 -1.321 -0.024 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C2B . . . . . . . . . rr_1k3h 1 . 1 . 990 . 2 2 1 HEC C2C C -4.157 -6.189 0.226 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C2C . . . . . . . . . rr_1k3h 1 . 1 . 991 . 2 2 1 HEC C2D C -7.052 -3.722 4.920 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C2D . . . . . . . . . rr_1k3h 1 . 1 . 992 . 2 2 1 HEC C3A C -2.004 1.018 4.165 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C3A . . . . . . . . . rr_1k3h 1 . 1 . 993 . 2 2 1 HEC C3B C -0.701 -2.591 -0.531 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C3B . . . . . . . . . rr_1k3h 1 . 1 . 994 . 2 2 1 HEC C3C C -5.236 -6.345 1.069 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C3C . . . . . . . . . rr_1k3h 1 . 1 . 995 . 2 2 1 HEC C3D C -6.608 -2.646 5.652 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C3D . . . . . . . . . rr_1k3h 1 . 1 . 996 . 2 2 1 HEC C4A C -2.072 -0.046 3.187 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C4A . . . . . . . . . rr_1k3h 1 . 1 . 997 . 2 2 1 HEC C4B C -1.789 -3.191 0.211 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C4B . . . . . . . . . rr_1k3h 1 . 1 . 998 . 2 2 1 HEC C4C C -5.225 -5.211 1.966 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C4C . . . . . . . . . rr_1k3h 1 . 1 . 999 . 2 2 1 HEC C4D C -5.435 -2.121 4.994 . . . 1.0 . . . . . . . . . . . . A . 93 HEC C4D . . . . . . . . . rr_1k3h 1 . 1 . 1000 . 2 2 1 HEC CAA C -3.333 1.588 6.313 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CAA . . . . . . . . . rr_1k3h 1 . 1 . 1001 . 2 2 1 HEC CAB C 0.033 -3.223 -1.692 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CAB . . . . . . . . . rr_1k3h 1 . 1 . 1002 . 2 2 1 HEC CAC C -6.307 -7.424 0.979 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CAC . . . . . . . . . rr_1k3h 1 . 1 . 1003 . 2 2 1 HEC CAD C -7.161 -2.244 6.995 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CAD . . . . . . . . . rr_1k3h 1 . 1 . 1004 . 2 2 1 HEC CBA C -4.697 2.276 6.172 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CBA . . . . . . . . . rr_1k3h 1 . 1 . 1005 . 2 2 1 HEC CBB C 1.523 -3.463 -1.434 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CBB . . . . . . . . . rr_1k3h 1 . 1 . 1006 . 2 2 1 HEC CBC C -5.828 -8.825 1.368 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CBC . . . . . . . . . rr_1k3h 1 . 1 . 1007 . 2 2 1 HEC CBD C -6.598 -3.167 8.068 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CBD . . . . . . . . . rr_1k3h 1 . 1 . 1008 . 2 2 1 HEC CGA C -5.357 2.413 7.533 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CGA . . . . . . . . . rr_1k3h 1 . 1 . 1009 . 2 2 1 HEC CGD C -7.554 -3.337 9.231 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CGD . . . . . . . . . rr_1k3h 1 . 1 . 1010 . 2 2 1 HEC CHA C -4.711 -1.015 5.435 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CHA . . . . . . . . . rr_1k3h 1 . 1 . 1011 . 2 2 1 HEC CHB C -1.271 -0.127 2.053 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CHB . . . . . . . . . rr_1k3h 1 . 1 . 1012 . 2 2 1 HEC CHC C -2.358 -4.454 -0.051 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CHC . . . . . . . . . rr_1k3h 1 . 1 . 1013 . 2 2 1 HEC CHD C -6.175 -4.985 2.956 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CHD . . . . . . . . . rr_1k3h 1 . 1 . 1014 . 2 2 1 HEC CMA C -1.032 2.181 4.166 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CMA . . . . . . . . . rr_1k3h 1 . 1 . 1015 . 2 2 1 HEC CMB C 0.381 -0.233 -0.610 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CMB . . . . . . . . . rr_1k3h 1 . 1 . 1016 . 2 2 1 HEC CMC C -3.879 -6.987 -1.022 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CMC . . . . . . . . . rr_1k3h 1 . 1 . 1017 . 2 2 1 HEC CMD C -8.242 -4.589 5.264 . . . 1.0 . . . . . . . . . . . . A . 93 HEC CMD . . . . . . . . . rr_1k3h 1 . 1 . 1018 . 2 2 1 HEC FE Fe -3.594 -2.631 2.507 . . . 1.0 . . . . . . . . . . . . A . 93 HEC FE . . . . . . . . . rr_1k3h 1 . 1 . 1019 . 2 2 1 HEC HAA1 H -2.582 2.344 6.531 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HAA1 . . . . . . . . . rr_1k3h 1 . 1 . 1020 . 2 2 1 HEC HAA2 H -3.356 0.918 7.173 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HAA2 . . . . . . . . . rr_1k3h 1 . 1 . 1021 . 2 2 1 HEC HAB H -0.381 -4.197 -1.928 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HAB . . . . . . . . . rr_1k3h 1 . 1 . 1022 . 2 2 1 HEC HAC H -7.136 -7.198 1.642 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HAC . . . . . . . . . rr_1k3h 1 . 1 . 1023 . 2 2 1 HEC HAD1 H -8.245 -2.348 6.984 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HAD1 . . . . . . . . . rr_1k3h 1 . 1 . 1024 . 2 2 1 HEC HAD2 H -6.940 -1.209 7.256 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HAD2 . . . . . . . . . rr_1k3h 1 . 1 . 1025 . 2 2 1 HEC HBA1 H -5.367 1.691 5.544 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBA1 . . . . . . . . . rr_1k3h 1 . 1 . 1026 . 2 2 1 HEC HBA2 H -4.575 3.254 5.706 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBA2 . . . . . . . . . rr_1k3h 1 . 1 . 1027 . 2 2 1 HEC HBB1 H 1.647 -4.023 -0.507 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBB1 . . . . . . . . . rr_1k3h 1 . 1 . 1028 . 2 2 1 HEC HBB2 H 1.937 -4.040 -2.260 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBB2 . . . . . . . . . rr_1k3h 1 . 1 . 1029 . 2 2 1 HEC HBB3 H 2.074 -2.530 -1.360 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBB3 . . . . . . . . . rr_1k3h 1 . 1 . 1030 . 2 2 1 HEC HBC1 H -6.658 -9.529 1.287 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBC1 . . . . . . . . . rr_1k3h 1 . 1 . 1031 . 2 2 1 HEC HBC2 H -5.013 -9.163 0.731 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBC2 . . . . . . . . . rr_1k3h 1 . 1 . 1032 . 2 2 1 HEC HBC3 H -5.490 -8.807 2.401 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBC3 . . . . . . . . . rr_1k3h 1 . 1 . 1033 . 2 2 1 HEC HBD1 H -5.637 -2.788 8.408 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBD1 . . . . . . . . . rr_1k3h 1 . 1 . 1034 . 2 2 1 HEC HBD2 H -6.449 -4.153 7.635 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HBD2 . . . . . . . . . rr_1k3h 1 . 1 . 1035 . 2 2 1 HEC HHA H -5.035 -0.516 6.337 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HHA . . . . . . . . . rr_1k3h 1 . 1 . 1036 . 2 2 1 HEC HHB H -0.549 0.657 1.901 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HHB . . . . . . . . . rr_1k3h 1 . 1 . 1037 . 2 2 1 HEC HHC H -1.966 -5.058 -0.847 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HHC . . . . . . . . . rr_1k3h 1 . 1 . 1038 . 2 2 1 HEC HHD H -6.967 -5.698 3.091 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HHD . . . . . . . . . rr_1k3h 1 . 1 . 1039 . 2 2 1 HEC HMA1 H -1.403 3.000 4.780 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMA1 . . . . . . . . . rr_1k3h 1 . 1 . 1040 . 2 2 1 HEC HMA2 H -0.071 1.849 4.569 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMA2 . . . . . . . . . rr_1k3h 1 . 1 . 1041 . 2 2 1 HEC HMA3 H -0.888 2.574 3.160 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMA3 . . . . . . . . . rr_1k3h 1 . 1 . 1042 . 2 2 1 HEC HMB1 H 1.403 -0.595 -0.656 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMB1 . . . . . . . . . rr_1k3h 1 . 1 . 1043 . 2 2 1 HEC HMB2 H 0.035 0.065 -1.604 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMB2 . . . . . . . . . rr_1k3h 1 . 1 . 1044 . 2 2 1 HEC HMB3 H 0.381 0.675 -0.015 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMB3 . . . . . . . . . rr_1k3h 1 . 1 . 1045 . 2 2 1 HEC HMC1 H -2.817 -7.177 -1.146 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMC1 . . . . . . . . . rr_1k3h 1 . 1 . 1046 . 2 2 1 HEC HMC2 H -4.381 -7.949 -1.015 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMC2 . . . . . . . . . rr_1k3h 1 . 1 . 1047 . 2 2 1 HEC HMC3 H -4.240 -6.399 -1.865 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMC3 . . . . . . . . . rr_1k3h 1 . 1 . 1048 . 2 2 1 HEC HMD1 H -7.946 -5.320 6.015 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMD1 . . . . . . . . . rr_1k3h 1 . 1 . 1049 . 2 2 1 HEC HMD2 H -9.049 -3.981 5.669 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMD2 . . . . . . . . . rr_1k3h 1 . 1 . 1050 . 2 2 1 HEC HMD3 H -8.633 -5.108 4.390 . . . 1.0 . . . . . . . . . . . . A . 93 HEC HMD3 . . . . . . . . . rr_1k3h 1 . 1 . 1051 . 2 2 1 HEC NA N -3.053 -0.912 3.575 . . . 1.0 . . . . . . . . . . . . A . 93 HEC NA . . . . . . . . . rr_1k3h 1 . 1 . 1052 . 2 2 1 HEC NB N -2.130 -2.308 1.189 . . . 1.0 . . . . . . . . . . . . A . 93 HEC NB . . . . . . . . . rr_1k3h 1 . 1 . 1053 . 2 2 1 HEC NC N -4.139 -4.436 1.646 . . . 1.0 . . . . . . . . . . . . A . 93 HEC NC . . . . . . . . . rr_1k3h 1 . 1 . 1054 . 2 2 1 HEC ND N -5.187 -2.914 3.907 . . . 1.0 . . . . . . . . . . . . A . 93 HEC ND . . . . . . . . . rr_1k3h 1 . 1 . 1055 . 2 2 1 HEC O1A O -5.395 3.555 8.039 . . . 1.0 . . . . . . . . . . . . A . 93 HEC O1A . . . . . . . . . rr_1k3h 1 . 1 . 1056 . 2 2 1 HEC O1D O -8.306 -4.335 9.179 . . . 1.0 . . . . . . . . . . . . A . 93 HEC O1D . . . . . . . . . rr_1k3h 1 . 1 . 1057 . 2 2 1 HEC O2A O -5.784 1.357 8.049 . . . 1.0 . . . . . . . . . . . . A . 93 HEC O2A . . . . . . . . . rr_1k3h 1 . 1 . 1058 . 2 2 1 HEC O2D O -7.499 -2.492 10.147 . . . 1.0 . . . . . . . . . . . . A . 93 HEC O2D . . . . . . . . . rr_1k3h 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_1k3h _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 1k3h.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1k3h 1 1 1k3h.mr . . DYANA/DIANA 2 distance NOE simple 1543 rr_1k3h 1 1 1k3h.mr . . n/a 3 comment 'Not applicable' 'Not applicable' 0 rr_1k3h 1 1 1k3h.mr . . DYANA/DIANA 4 distance NOE simple 45 rr_1k3h 1 1 1k3h.mr . . n/a 5 comment 'Not applicable' 'Not applicable' 0 rr_1k3h 1 1 1k3h.mr . . unknown 6 'dihedral angle' 'Not applicable' 'Not applicable' 0 rr_1k3h 1 1 1k3h.mr . . n/a 7 comment 'Not applicable' 'Not applicable' 0 rr_1k3h 1 1 1k3h.mr . . DYANA/DIANA 8 'pseudocontact shift' 'Not applicable' 'Not applicable' 0 rr_1k3h 1 1 1k3h.mr . . 'MR format' 9 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1k3h 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1k3h _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1k3h 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 1 1 VAL H1 H . . . 1 1 1 1 VAL HB H . . . . . . . 4.14 . . . . . A . 22 VAL H1 . . A . 22 VAL HB . . . 22 VAL HN . . . . . 22 VAL HB . . rr_1k3h 1 2 1 . . 1 1 1 1 VAL H1 H . . . 1 1 2 2 ASP H H . . . . . . . 5.50 . . . . . A . 22 VAL H1 . . A . 23 ASP H . . . 22 VAL HN . . . . . 23 ASP- HN . . rr_1k3h 1 3 1 . . 1 1 2 2 ASP H H . . . 1 1 1 1 VAL HA H . . . . . . . 3.39 . . . . . A . 23 ASP H . . A . 22 VAL HA . . . 23 ASP- HN . . . . . 22 VAL HA . . rr_1k3h 1 4 1 . . 1 1 1 1 VAL HB H . . . 1 1 2 2 ASP H H . . . . . . . 5.22 . . . . . A . 22 VAL HB . . A . 23 ASP H . . . 22 VAL HB . . . . . 23 ASP- HN . . rr_1k3h 1 5 1 . . 1 1 1 1 VAL HB H . . . 1 1 59 59 GLU HA H . . . . . . . 5.50 . . . . . A . 22 VAL HB . . A . 80 GLU HA . . . 22 VAL HB . . . . . 80 GLU- HA . . rr_1k3h 1 6 1 . . 1 1 1 1 VAL HB H . . . 1 1 62 62 ALA H H . . . . . . . 5.50 . . . . . A . 22 VAL HB . . A . 83 ALA H . . . 22 VAL HB . . . . . 83 ALA HN . . rr_1k3h 1 7 1 . . 1 1 1 1 VAL HB H . . . 1 1 62 62 ALA MB H . . . . . . . 4.64 . . . . . A . 22 VAL HB . . A . 83 ALA MB . . . 22 VAL HB . . . . . 83 ALA QB . . rr_1k3h 1 8 1 . . 1 1 2 2 ASP H H . . . 1 1 1 1 VAL MG1 H . . . . . . . 6.43 . . . . . A . 23 ASP H . . A . 22 VAL MG1 . . . 23 ASP- HN . . . . . 22 VAL QG1 . . rr_1k3h 1 9 1 . . 1 1 58 58 ALA MB H . . . 1 1 1 1 VAL MG1 H . . . . . . . 7.56 . . . . . A . 79 ALA MB . . A . 22 VAL MG1 . . . 79 ALA QB . . . . . 22 VAL QG1 . . rr_1k3h 1 10 1 . . 1 1 59 59 GLU H H . . . 1 1 1 1 VAL MG1 H . . . . . . . 6.50 . . . . . A . 80 GLU H . . A . 22 VAL MG1 . . . 80 GLU- HN . . . . . 22 VAL QG1 . . rr_1k3h 1 11 1 . . 1 1 59 59 GLU HA H . . . 1 1 1 1 VAL MG1 H . . . . . . . 4.14 . . . . . A . 80 GLU HA . . A . 22 VAL MG1 . . . 80 GLU- HA . . . . . 22 VAL QG1 . . rr_1k3h 1 12 1 . . 1 1 59 59 GLU HB2 H . . . 1 1 1 1 VAL MG1 H . . . . . . . 5.01 . . . . . A . 80 GLU HB2 . . A . 22 VAL MG1 . . . 80 GLU- HB2 . . . . . 22 VAL QG1 . . rr_1k3h 1 13 1 . . 1 1 1 1 VAL MG1 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 9.46 . . . . . A . 22 VAL MG1 . . A . 80 GLU HG2 . . . 22 VAL QG1 . . . . . 80 GLU- HG2 . . rr_1k3h 1 14 1 . . 1 1 59 59 GLU HG3 H . . . 1 1 1 1 VAL MG1 H . . . . . . . 9.46 . . . . . A . 80 GLU HG3 . . A . 22 VAL MG1 . . . 80 GLU- HG3 . . . . . 22 VAL QG1 . . rr_1k3h 1 15 1 . . 1 1 62 62 ALA MB H . . . 1 1 1 1 VAL MG1 H . . . . . . . 6.53 . . . . . A . 83 ALA MB . . A . 22 VAL MG1 . . . 83 ALA QB . . . . . 22 VAL QG1 . . rr_1k3h 1 16 1 . . 1 1 2 2 ASP H H . . . 1 1 1 1 VAL MG2 H . . . . . . . 6.43 . . . . . A . 23 ASP H . . A . 22 VAL MG2 . . . 23 ASP- HN . . . . . 22 VAL QG2 . . rr_1k3h 1 17 1 . . 1 1 58 58 ALA MB H . . . 1 1 1 1 VAL MG2 H . . . . . . . 7.56 . . . . . A . 79 ALA MB . . A . 22 VAL MG2 . . . 79 ALA QB . . . . . 22 VAL QG2 . . rr_1k3h 1 18 1 . . 1 1 59 59 GLU H H . . . 1 1 1 1 VAL MG2 H . . . . . . . 6.50 . . . . . A . 80 GLU H . . A . 22 VAL MG2 . . . 80 GLU- HN . . . . . 22 VAL QG2 . . rr_1k3h 1 19 1 . . 1 1 59 59 GLU HA H . . . 1 1 1 1 VAL MG2 H . . . . . . . 4.14 . . . . . A . 80 GLU HA . . A . 22 VAL MG2 . . . 80 GLU- HA . . . . . 22 VAL QG2 . . rr_1k3h 1 20 1 . . 1 1 59 59 GLU HB2 H . . . 1 1 1 1 VAL MG2 H . . . . . . . 5.01 . . . . . A . 80 GLU HB2 . . A . 22 VAL MG2 . . . 80 GLU- HB2 . . . . . 22 VAL QG2 . . rr_1k3h 1 21 1 . . 1 1 1 1 VAL MG2 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 9.46 . . . . . A . 22 VAL MG2 . . A . 80 GLU HG2 . . . 22 VAL QG2 . . . . . 80 GLU- HG2 . . rr_1k3h 1 22 1 . . 1 1 1 1 VAL MG2 H . . . 1 1 59 59 GLU HG3 H . . . . . . . 9.46 . . . . . A . 22 VAL MG2 . . A . 80 GLU HG3 . . . 22 VAL QG2 . . . . . 80 GLU- HG3 . . rr_1k3h 1 23 1 . . 1 1 62 62 ALA MB H . . . 1 1 1 1 VAL MG2 H . . . . . . . 6.53 . . . . . A . 83 ALA MB . . A . 22 VAL MG2 . . . 83 ALA QB . . . . . 22 VAL QG2 . . rr_1k3h 1 24 1 OR . 1 1 2 2 ASP H H . . . 1 1 1 1 VAL MG1 H . . . . . . . 5.49 . . . . . A . 23 ASP H . . A . 22 VAL MG1 . . . 23 ASP- HN . . . . . 22 VAL QQG . . rr_1k3h 1 24 2 OR . 1 1 2 2 ASP H H . . . 1 1 1 1 VAL MG2 H . . . . . . . 5.49 . . . . . A . 23 ASP H . . A . 22 VAL MG2 . . . 23 ASP- HN . . . . . 22 VAL QQG . . rr_1k3h 1 25 1 OR . 1 1 2 2 ASP HA H . . . 1 1 1 1 VAL MG1 H . . . . . . . 7.90 . . . . . A . 23 ASP HA . . A . 22 VAL MG1 . . . 23 ASP- HA . . . . . 22 VAL QQG . . rr_1k3h 1 25 2 OR . 1 1 1 1 VAL MG2 H . . . 1 1 2 2 ASP HA H . . . . . . . 7.90 . . . . . A . 22 VAL MG2 . . A . 23 ASP HA . . . 22 VAL QQG . . . . . 23 ASP- HA . . rr_1k3h 1 26 1 OR . 1 1 1 1 VAL MG2 H . . . 1 1 2 2 ASP HB3 H . . . . . . . 8.97 . . . . . A . 22 VAL MG2 . . A . 23 ASP HB3 . . . 22 VAL QQG . . . . . 23 ASP- QB . . rr_1k3h 1 26 2 OR . 1 1 1 1 VAL MG1 H . . . 1 1 2 2 ASP HB3 H . . . . . . . 8.97 . . . . . A . 22 VAL MG1 . . A . 23 ASP HB3 . . . 22 VAL QQG . . . . . 23 ASP- QB . . rr_1k3h 1 26 3 OR . 1 1 2 2 ASP HB2 H . . . 1 1 1 1 VAL MG1 H . . . . . . . 8.97 . . . . . A . 23 ASP HB2 . . A . 22 VAL MG1 . . . 23 ASP- QB . . . . . 22 VAL QQG . . rr_1k3h 1 26 4 OR . 1 1 1 1 VAL MG2 H . . . 1 1 2 2 ASP HB2 H . . . . . . . 8.97 . . . . . A . 22 VAL MG2 . . A . 23 ASP HB2 . . . 22 VAL QQG . . . . . 23 ASP- QB . . rr_1k3h 1 27 1 OR . 1 1 3 3 ALA H H . . . 1 1 1 1 VAL MG1 H . . . . . . . 7.59 . . . . . A . 24 ALA H . . A . 22 VAL MG1 . . . 24 ALA HN . . . . . 22 VAL QQG . . rr_1k3h 1 27 2 OR . 1 1 1 1 VAL MG2 H . . . 1 1 3 3 ALA H H . . . . . . . 7.59 . . . . . A . 22 VAL MG2 . . A . 24 ALA H . . . 22 VAL QQG . . . . . 24 ALA HN . . rr_1k3h 1 28 1 OR . 1 1 3 3 ALA HA H . . . 1 1 1 1 VAL MG1 H . . . . . . . 6.44 . . . . . A . 24 ALA HA . . A . 22 VAL MG1 . . . 24 ALA HA . . . . . 22 VAL QQG . . rr_1k3h 1 28 2 OR . 1 1 1 1 VAL MG2 H . . . 1 1 3 3 ALA HA H . . . . . . . 6.44 . . . . . A . 22 VAL MG2 . . A . 24 ALA HA . . . 22 VAL QQG . . . . . 24 ALA HA . . rr_1k3h 1 29 1 OR . 1 1 5 5 ALA MB H . . . 1 1 1 1 VAL MG1 H . . . . . . . 8.62 . . . . . A . 26 ALA MB . . A . 22 VAL MG1 . . . 26 ALA QB . . . . . 22 VAL QQG . . rr_1k3h 1 29 2 OR . 1 1 1 1 VAL MG2 H . . . 1 1 5 5 ALA MB H . . . . . . . 8.62 . . . . . A . 22 VAL MG2 . . A . 26 ALA MB . . . 22 VAL QQG . . . . . 26 ALA QB . . rr_1k3h 1 30 1 OR . 1 1 6 6 VAL HB H . . . 1 1 1 1 VAL MG1 H . . . . . . . 8.09 . . . . . A . 27 VAL HB . . A . 22 VAL MG1 . . . 27 VAL HB . . . . . 22 VAL QQG . . rr_1k3h 1 30 2 OR . 1 1 1 1 VAL MG2 H . . . 1 1 6 6 VAL HB H . . . . . . . 8.09 . . . . . A . 22 VAL MG2 . . A . 27 VAL HB . . . 22 VAL QQG . . . . . 27 VAL HB . . rr_1k3h 1 31 1 OR . 1 1 58 58 ALA MB H . . . 1 1 1 1 VAL MG1 H . . . . . . . 6.82 . . . . . A . 79 ALA MB . . A . 22 VAL MG1 . . . 79 ALA QB . . . . . 22 VAL QQG . . rr_1k3h 1 31 2 OR . 1 1 58 58 ALA MB H . . . 1 1 1 1 VAL MG2 H . . . . . . . 6.82 . . . . . A . 79 ALA MB . . A . 22 VAL MG2 . . . 79 ALA QB . . . . . 22 VAL QQG . . rr_1k3h 1 32 1 OR . 1 1 59 59 GLU H H . . . 1 1 1 1 VAL MG1 H . . . . . . . 5.98 . . . . . A . 80 GLU H . . A . 22 VAL MG1 . . . 80 GLU- HN . . . . . 22 VAL QQG . . rr_1k3h 1 32 2 OR . 1 1 59 59 GLU H H . . . 1 1 1 1 VAL MG2 H . . . . . . . 5.98 . . . . . A . 80 GLU H . . A . 22 VAL MG2 . . . 80 GLU- HN . . . . . 22 VAL QQG . . rr_1k3h 1 33 1 OR . 1 1 59 59 GLU HB3 H . . . 1 1 1 1 VAL MG1 H . . . . . . . 8.09 . . . . . A . 80 GLU HB3 . . A . 22 VAL MG1 . . . 80 GLU- HB3 . . . . . 22 VAL QQG . . rr_1k3h 1 33 2 OR . 1 1 1 1 VAL MG2 H . . . 1 1 59 59 GLU HB3 H . . . . . . . 8.09 . . . . . A . 22 VAL MG2 . . A . 80 GLU HB3 . . . 22 VAL QQG . . . . . 80 GLU- HB3 . . rr_1k3h 1 34 1 OR . 1 1 1 1 VAL MG2 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 7.07 . . . . . A . 22 VAL MG2 . . A . 80 GLU HG2 . . . 22 VAL QQG . . . . . 80 GLU- QG . . rr_1k3h 1 34 2 OR . 1 1 1 1 VAL MG1 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 7.07 . . . . . A . 22 VAL MG1 . . A . 80 GLU HG2 . . . 22 VAL QQG . . . . . 80 GLU- QG . . rr_1k3h 1 34 3 OR . 1 1 59 59 GLU HG3 H . . . 1 1 1 1 VAL MG1 H . . . . . . . 7.07 . . . . . A . 80 GLU HG3 . . A . 22 VAL MG1 . . . 80 GLU- QG . . . . . 22 VAL QQG . . rr_1k3h 1 34 4 OR . 1 1 1 1 VAL MG2 H . . . 1 1 59 59 GLU HG3 H . . . . . . . 7.07 . . . . . A . 22 VAL MG2 . . A . 80 GLU HG3 . . . 22 VAL QQG . . . . . 80 GLU- QG . . rr_1k3h 1 35 1 OR . 1 1 62 62 ALA H H . . . 1 1 1 1 VAL MG1 H . . . . . . . 8.09 . . . . . A . 83 ALA H . . A . 22 VAL MG1 . . . 83 ALA HN . . . . . 22 VAL QQG . . rr_1k3h 1 35 2 OR . 1 1 62 62 ALA H H . . . 1 1 1 1 VAL MG2 H . . . . . . . 8.09 . . . . . A . 83 ALA H . . A . 22 VAL MG2 . . . 83 ALA HN . . . . . 22 VAL QQG . . rr_1k3h 1 36 1 OR . 1 1 62 62 ALA MB H . . . 1 1 1 1 VAL MG1 H . . . . . . . 5.89 . . . . . A . 83 ALA MB . . A . 22 VAL MG1 . . . 83 ALA QB . . . . . 22 VAL QQG . . rr_1k3h 1 36 2 OR . 1 1 62 62 ALA MB H . . . 1 1 1 1 VAL MG2 H . . . . . . . 5.89 . . . . . A . 83 ALA MB . . A . 22 VAL MG2 . . . 83 ALA QB . . . . . 22 VAL QQG . . rr_1k3h 1 37 1 . . 1 1 2 2 ASP H H . . . 1 1 5 5 ALA MB H . . . . . . . 6.53 . . . . . A . 23 ASP H . . A . 26 ALA MB . . . 23 ASP- HN . . . . . 26 ALA QB . . rr_1k3h 1 38 1 . . 1 1 2 2 ASP H H . . . 1 1 6 6 VAL MG2 H . . . . . . . 6.53 . . . . . A . 23 ASP H . . A . 27 VAL MG2 . . . 23 ASP- HN . . . . . 27 VAL QG2 . . rr_1k3h 1 39 1 . . 1 1 2 2 ASP HA H . . . 1 1 3 3 ALA H H . . . . . . . 3.08 . . . . . A . 23 ASP HA . . A . 24 ALA H . . . 23 ASP- HA . . . . . 24 ALA HN . . rr_1k3h 1 40 1 . . 1 1 2 2 ASP HA H . . . 1 1 3 3 ALA HA H . . . . . . . 5.47 . . . . . A . 23 ASP HA . . A . 24 ALA HA . . . 23 ASP- HA . . . . . 24 ALA HA . . rr_1k3h 1 41 1 . . 1 1 2 2 ASP HA H . . . 1 1 3 3 ALA MB H . . . . . . . 5.85 . . . . . A . 23 ASP HA . . A . 24 ALA MB . . . 23 ASP- HA . . . . . 24 ALA QB . . rr_1k3h 1 42 1 . . 1 1 2 2 ASP HA H . . . 1 1 4 4 GLU H H . . . . . . . 4.88 . . . . . A . 23 ASP HA . . A . 25 GLU H . . . 23 ASP- HA . . . . . 25 GLU- HN . . rr_1k3h 1 43 1 . . 1 1 2 2 ASP HA H . . . 1 1 5 5 ALA H H . . . . . . . 5.50 . . . . . A . 23 ASP HA . . A . 26 ALA H . . . 23 ASP- HA . . . . . 26 ALA HN . . rr_1k3h 1 44 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 5 5 ALA H H . . . . . . . 5.50 . . . . . A . 23 ASP HB2 . . A . 26 ALA H . . . 23 ASP- HB2 . . . . . 26 ALA HN . . rr_1k3h 1 45 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 5 5 ALA MB H . . . . . . . 5.10 . . . . . A . 23 ASP HB2 . . A . 26 ALA MB . . . 23 ASP- HB2 . . . . . 26 ALA QB . . rr_1k3h 1 46 1 . . 1 1 5 5 ALA H H . . . 1 1 2 2 ASP HB3 H . . . . . . . 5.50 . . . . . A . 26 ALA H . . A . 23 ASP HB3 . . . 26 ALA HN . . . . . 23 ASP- HB3 . . rr_1k3h 1 47 1 . . 1 1 5 5 ALA MB H . . . 1 1 2 2 ASP HB3 H . . . . . . . 5.10 . . . . . A . 26 ALA MB . . A . 23 ASP HB3 . . . 26 ALA QB . . . . . 23 ASP- HB3 . . rr_1k3h 1 48 1 OR . 1 1 5 5 ALA H H . . . 1 1 2 2 ASP HB3 H . . . . . . . 5.02 . . . . . A . 26 ALA H . . A . 23 ASP HB3 . . . 26 ALA HN . . . . . 23 ASP- QB . . rr_1k3h 1 48 2 OR . 1 1 2 2 ASP HB2 H . . . 1 1 5 5 ALA H H . . . . . . . 5.02 . . . . . A . 23 ASP HB2 . . A . 26 ALA H . . . 23 ASP- QB . . . . . 26 ALA HN . . rr_1k3h 1 49 1 OR . 1 1 5 5 ALA MB H . . . 1 1 2 2 ASP HB3 H . . . . . . . 4.53 . . . . . A . 26 ALA MB . . A . 23 ASP HB3 . . . 26 ALA QB . . . . . 23 ASP- QB . . rr_1k3h 1 49 2 OR . 1 1 2 2 ASP HB2 H . . . 1 1 5 5 ALA MB H . . . . . . . 4.53 . . . . . A . 23 ASP HB2 . . A . 26 ALA MB . . . 23 ASP- QB . . . . . 26 ALA QB . . rr_1k3h 1 50 1 . . 1 1 3 3 ALA H H . . . 1 1 4 4 GLU H H . . . . . . . 3.89 . . . . . A . 24 ALA H . . A . 25 GLU H . . . 24 ALA HN . . . . . 25 GLU- HN . . rr_1k3h 1 51 1 OR . 1 1 3 3 ALA H H . . . 1 1 4 4 GLU HG2 H . . . . . . . 6.38 . . . . . A . 24 ALA H . . A . 25 GLU HG2 . . . 24 ALA HN . . . . . 25 GLU- QG . . rr_1k3h 1 51 2 OR . 1 1 3 3 ALA H H . . . 1 1 4 4 GLU HG3 H . . . . . . . 6.38 . . . . . A . 24 ALA H . . A . 25 GLU HG3 . . . 24 ALA HN . . . . . 25 GLU- QG . . rr_1k3h 1 52 1 . . 1 1 3 3 ALA H H . . . 1 1 5 5 ALA H H . . . . . . . 5.50 . . . . . A . 24 ALA H . . A . 26 ALA H . . . 24 ALA HN . . . . . 26 ALA HN . . rr_1k3h 1 53 1 . . 1 1 62 62 ALA MB H . . . 1 1 3 3 ALA H H . . . . . . . 5.54 . . . . . A . 83 ALA MB . . A . 24 ALA H . . . 83 ALA QB . . . . . 24 ALA HN . . rr_1k3h 1 54 1 OR . 1 1 3 3 ALA H H . . . 1 1 66 66 TRP HB2 H . . . . . . . 6.38 . . . . . A . 24 ALA H . . A . 87 TRP HB2 . . . 24 ALA HN . . . . . 87 TRP QB . . rr_1k3h 1 54 2 OR . 1 1 3 3 ALA H H . . . 1 1 66 66 TRP HB3 H . . . . . . . 6.38 . . . . . A . 24 ALA H . . A . 87 TRP HB3 . . . 24 ALA HN . . . . . 87 TRP QB . . rr_1k3h 1 55 1 . . 1 1 3 3 ALA HA H . . . 1 1 5 5 ALA H H . . . . . . . 5.10 . . . . . A . 24 ALA HA . . A . 26 ALA H . . . 24 ALA HA . . . . . 26 ALA HN . . rr_1k3h 1 56 1 . . 1 1 3 3 ALA HA H . . . 1 1 6 6 VAL H H . . . . . . . 5.13 . . . . . A . 24 ALA HA . . A . 27 VAL H . . . 24 ALA HA . . . . . 27 VAL HN . . rr_1k3h 1 57 1 . . 1 1 3 3 ALA HA H . . . 1 1 6 6 VAL HB H . . . . . . . 3.83 . . . . . A . 24 ALA HA . . A . 27 VAL HB . . . 24 ALA HA . . . . . 27 VAL HB . . rr_1k3h 1 58 1 . . 1 1 3 3 ALA HA H . . . 1 1 6 6 VAL MG2 H . . . . . . . 4.14 . . . . . A . 24 ALA HA . . A . 27 VAL MG2 . . . 24 ALA HA . . . . . 27 VAL QG2 . . rr_1k3h 1 59 1 . . 1 1 62 62 ALA MB H . . . 1 1 3 3 ALA HA H . . . . . . . 5.23 . . . . . A . 83 ALA MB . . A . 24 ALA HA . . . 83 ALA QB . . . . . 24 ALA HA . . rr_1k3h 1 60 1 . . 1 1 3 3 ALA HA H . . . 1 1 63 63 VAL MG2 H . . . . . . . 4.51 . . . . . A . 24 ALA HA . . A . 84 VAL MG2 . . . 24 ALA HA . . . . . 84 VAL QG2 . . rr_1k3h 1 61 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 GLU H H . . . . . . . 4.39 . . . . . A . 24 ALA MB . . A . 25 GLU H . . . 24 ALA QB . . . . . 25 GLU- HN . . rr_1k3h 1 62 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 GLU HA H . . . . . . . 6.03 . . . . . A . 24 ALA MB . . A . 25 GLU HA . . . 24 ALA QB . . . . . 25 GLU- HA . . rr_1k3h 1 63 1 . . 1 1 3 3 ALA MB H . . . 1 1 7 7 VAL MG2 H . . . . . . . 7.12 . . . . . A . 24 ALA MB . . A . 28 VAL MG2 . . . 24 ALA QB . . . . . 28 VAL QG2 . . rr_1k3h 1 64 1 . . 1 1 62 62 ALA MB H . . . 1 1 3 3 ALA MB H . . . . . . . 5.60 . . . . . A . 83 ALA MB . . A . 24 ALA MB . . . 83 ALA QB . . . . . 24 ALA QB . . rr_1k3h 1 65 1 . . 1 1 3 3 ALA MB H . . . 1 1 63 63 VAL H H . . . . . . . 6.19 . . . . . A . 24 ALA MB . . A . 84 VAL H . . . 24 ALA QB . . . . . 84 VAL HN . . rr_1k3h 1 66 1 . . 1 1 3 3 ALA MB H . . . 1 1 63 63 VAL HA H . . . . . . . 3.71 . . . . . A . 24 ALA MB . . A . 84 VAL HA . . . 24 ALA QB . . . . . 84 VAL HA . . rr_1k3h 1 67 1 . . 1 1 3 3 ALA MB H . . . 1 1 63 63 VAL MG2 H . . . . . . . 6.72 . . . . . A . 24 ALA MB . . A . 84 VAL MG2 . . . 24 ALA QB . . . . . 84 VAL QG2 . . rr_1k3h 1 68 1 . . 1 1 3 3 ALA MB H . . . 1 1 66 66 TRP H H . . . . . . . 5.35 . . . . . A . 24 ALA MB . . A . 87 TRP H . . . 24 ALA QB . . . . . 87 TRP HN . . rr_1k3h 1 69 1 . . 1 1 3 3 ALA MB H . . . 1 1 66 66 TRP HA H . . . . . . . 5.60 . . . . . A . 24 ALA MB . . A . 87 TRP HA . . . 24 ALA QB . . . . . 87 TRP HA . . rr_1k3h 1 70 1 . . 1 1 3 3 ALA MB H . . . 1 1 66 66 TRP HB2 H . . . . . . . 4.17 . . . . . A . 24 ALA MB . . A . 87 TRP HB2 . . . 24 ALA QB . . . . . 87 TRP HB2 . . rr_1k3h 1 71 1 . . 1 1 3 3 ALA MB H . . . 1 1 66 66 TRP HB3 H . . . . . . . 4.17 . . . . . A . 24 ALA MB . . A . 87 TRP HB3 . . . 24 ALA QB . . . . . 87 TRP HB3 . . rr_1k3h 1 72 1 . . 1 1 3 3 ALA MB H . . . 1 1 66 66 TRP HD1 H . . . . . . . 4.82 . . . . . A . 24 ALA MB . . A . 87 TRP HD1 . . . 24 ALA QB . . . . . 87 TRP HD1 . . rr_1k3h 1 73 1 . . 1 1 3 3 ALA MB H . . . 1 1 66 66 TRP HE3 H . . . . . . . 5.50 . . . . . A . 24 ALA MB . . A . 87 TRP HE3 . . . 24 ALA QB . . . . . 87 TRP HE3 . . rr_1k3h 1 74 1 . . 1 1 3 3 ALA MB H . . . 1 1 66 66 TRP HE1 H . . . . . . . 6.28 . . . . . A . 24 ALA MB . . A . 87 TRP HE1 . . . 24 ALA QB . . . . . 87 TRP HE1 . . rr_1k3h 1 75 1 . . 1 1 3 3 ALA MB H . . . 1 1 67 67 LEU H H . . . . . . . 5.69 . . . . . A . 24 ALA MB . . A . 88 LEU H . . . 24 ALA QB . . . . . 88 LEU HN . . rr_1k3h 1 76 1 . . 1 1 4 4 GLU H H . . . 1 1 4 4 GLU HG2 H . . . . . . . 3.73 . . . . . A . 25 GLU H . . A . 25 GLU HG2 . . . 25 GLU- HN . . . . . 25 GLU- HG2 . . rr_1k3h 1 77 1 . . 1 1 4 4 GLU H H . . . 1 1 4 4 GLU HG3 H . . . . . . . 3.73 . . . . . A . 25 GLU H . . A . 25 GLU HG3 . . . 25 GLU- HN . . . . . 25 GLU- HG3 . . rr_1k3h 1 78 1 . . 1 1 4 4 GLU H H . . . 1 1 5 5 ALA H H . . . . . . . 3.61 . . . . . A . 25 GLU H . . A . 26 ALA H . . . 25 GLU- HN . . . . . 26 ALA HN . . rr_1k3h 1 79 1 . . 1 1 4 4 GLU H H . . . 1 1 66 66 TRP HE1 H . . . . . . . 5.50 . . . . . A . 25 GLU H . . A . 87 TRP HE1 . . . 25 GLU- HN . . . . . 87 TRP HE1 . . rr_1k3h 1 80 1 . . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HG2 H . . . . . . . 3.89 . . . . . A . 25 GLU HA . . A . 25 GLU HG2 . . . 25 GLU- HA . . . . . 25 GLU- HG2 . . rr_1k3h 1 81 1 . . 1 1 4 4 GLU HG3 H . . . 1 1 4 4 GLU HA H . . . . . . . 3.89 . . . . . A . 25 GLU HG3 . . A . 25 GLU HA . . . 25 GLU- HG3 . . . . . 25 GLU- HA . . rr_1k3h 1 82 1 OR . 1 1 4 4 GLU HA H . . . 1 1 4 4 GLU HG2 H . . . . . . . 3.71 . . . . . A . 25 GLU HA . . A . 25 GLU HG2 . . . 25 GLU- HA . . . . . 25 GLU- QG . . rr_1k3h 1 82 2 OR . 1 1 4 4 GLU HG3 H . . . 1 1 4 4 GLU HA H . . . . . . . 3.71 . . . . . A . 25 GLU HG3 . . A . 25 GLU HA . . . 25 GLU- QG . . . . . 25 GLU- HA . . rr_1k3h 1 83 1 . . 1 1 4 4 GLU HA H . . . 1 1 5 5 ALA HA H . . . . . . . 5.50 . . . . . A . 25 GLU HA . . A . 26 ALA HA . . . 25 GLU- HA . . . . . 26 ALA HA . . rr_1k3h 1 84 1 . . 1 1 4 4 GLU HA H . . . 1 1 7 7 VAL H H . . . . . . . 4.20 . . . . . A . 25 GLU HA . . A . 28 VAL H . . . 25 GLU- HA . . . . . 28 VAL HN . . rr_1k3h 1 85 1 . . 1 1 4 4 GLU HA H . . . 1 1 7 7 VAL HB H . . . . . . . 3.08 . . . . . A . 25 GLU HA . . A . 28 VAL HB . . . 25 GLU- HA . . . . . 28 VAL HB . . rr_1k3h 1 86 1 . . 1 1 4 4 GLU HA H . . . 1 1 7 7 VAL MG1 H . . . . . . . 5.29 . . . . . A . 25 GLU HA . . A . 28 VAL MG1 . . . 25 GLU- HA . . . . . 28 VAL QG1 . . rr_1k3h 1 87 1 . . 1 1 4 4 GLU HA H . . . 1 1 7 7 VAL MG2 H . . . . . . . 4.79 . . . . . A . 25 GLU HA . . A . 28 VAL MG2 . . . 25 GLU- HA . . . . . 28 VAL QG2 . . rr_1k3h 1 88 1 . . 1 1 4 4 GLU HA H . . . 1 1 8 8 GLN H H . . . . . . . 5.19 . . . . . A . 25 GLU HA . . A . 29 GLN H . . . 25 GLU- HA . . . . . 29 GLN HN . . rr_1k3h 1 89 1 . . 1 1 4 4 GLU HA H . . . 1 1 66 66 TRP HE3 H . . . . . . . 5.50 . . . . . A . 25 GLU HA . . A . 87 TRP HE3 . . . 25 GLU- HA . . . . . 87 TRP HE3 . . rr_1k3h 1 90 1 . . 1 1 4 4 GLU HA H . . . 1 1 66 66 TRP HE1 H . . . . . . . 5.50 . . . . . A . 25 GLU HA . . A . 87 TRP HE1 . . . 25 GLU- HA . . . . . 87 TRP HE1 . . rr_1k3h 1 91 1 . . 1 1 4 4 GLU HA H . . . 1 1 66 66 TRP HZ3 H . . . . . . . 5.50 . . . . . A . 25 GLU HA . . A . 87 TRP HZ3 . . . 25 GLU- HA . . . . . 87 TRP HZ3 . . rr_1k3h 1 92 1 . . 1 1 4 4 GLU HA H . . . 1 1 66 66 TRP HZ2 H . . . . . . . 5.50 . . . . . A . 25 GLU HA . . A . 87 TRP HZ2 . . . 25 GLU- HA . . . . . 87 TRP HZ2 . . rr_1k3h 1 93 1 . . 1 1 4 4 GLU HA H . . . 1 1 66 66 TRP HH2 H . . . . . . . 5.50 . . . . . A . 25 GLU HA . . A . 87 TRP HH2 . . . 25 GLU- HA . . . . . 87 TRP HH2 . . rr_1k3h 1 94 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 GLU HB2 H . . . . . . . 5.50 . . . . . A . 26 ALA H . . A . 25 GLU HB2 . . . 26 ALA HN . . . . . 25 GLU- HB2 . . rr_1k3h 1 95 1 . . 1 1 8 8 GLN HG3 H . . . 1 1 4 4 GLU HB2 H . . . . . . . 5.50 . . . . . A . 29 GLN HG3 . . A . 25 GLU HB2 . . . 29 GLN HG3 . . . . . 25 GLU- HB2 . . rr_1k3h 1 96 1 . . 1 1 66 66 TRP HE1 H . . . 1 1 4 4 GLU HB2 H . . . . . . . 5.50 . . . . . A . 87 TRP HE1 . . A . 25 GLU HB2 . . . 87 TRP HE1 . . . . . 25 GLU- HB2 . . rr_1k3h 1 97 1 . . 1 1 66 66 TRP HZ2 H . . . 1 1 4 4 GLU HB2 H . . . . . . . 5.50 . . . . . A . 87 TRP HZ2 . . A . 25 GLU HB2 . . . 87 TRP HZ2 . . . . . 25 GLU- HB2 . . rr_1k3h 1 98 1 . . 1 1 66 66 TRP HH2 H . . . 1 1 4 4 GLU HB2 H . . . . . . . 5.50 . . . . . A . 87 TRP HH2 . . A . 25 GLU HB2 . . . 87 TRP HH2 . . . . . 25 GLU- HB2 . . rr_1k3h 1 99 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 GLU HB3 H . . . . . . . 5.50 . . . . . A . 26 ALA H . . A . 25 GLU HB3 . . . 26 ALA HN . . . . . 25 GLU- HB3 . . rr_1k3h 1 100 1 . . 1 1 8 8 GLN HG3 H . . . 1 1 4 4 GLU HB3 H . . . . . . . 5.50 . . . . . A . 29 GLN HG3 . . A . 25 GLU HB3 . . . 29 GLN HG3 . . . . . 25 GLU- HB3 . . rr_1k3h 1 101 1 . . 1 1 66 66 TRP HE1 H . . . 1 1 4 4 GLU HB3 H . . . . . . . 5.50 . . . . . A . 87 TRP HE1 . . A . 25 GLU HB3 . . . 87 TRP HE1 . . . . . 25 GLU- HB3 . . rr_1k3h 1 102 1 . . 1 1 66 66 TRP HZ2 H . . . 1 1 4 4 GLU HB3 H . . . . . . . 5.50 . . . . . A . 87 TRP HZ2 . . A . 25 GLU HB3 . . . 87 TRP HZ2 . . . . . 25 GLU- HB3 . . rr_1k3h 1 103 1 . . 1 1 66 66 TRP HH2 H . . . 1 1 4 4 GLU HB3 H . . . . . . . 5.50 . . . . . A . 87 TRP HH2 . . A . 25 GLU HB3 . . . 87 TRP HH2 . . . . . 25 GLU- HB3 . . rr_1k3h 1 104 1 OR . 1 1 8 8 GLN H H . . . 1 1 4 4 GLU HB2 H . . . . . . . 6.38 . . . . . A . 29 GLN H . . A . 25 GLU HB2 . . . 29 GLN HN . . . . . 25 GLU- QB . . rr_1k3h 1 104 2 OR . 1 1 8 8 GLN H H . . . 1 1 4 4 GLU HB3 H . . . . . . . 6.38 . . . . . A . 29 GLN H . . A . 25 GLU HB3 . . . 29 GLN HN . . . . . 25 GLU- QB . . rr_1k3h 1 105 1 OR . 1 1 66 66 TRP HZ2 H . . . 1 1 4 4 GLU HB2 H . . . . . . . 5.14 . . . . . A . 87 TRP HZ2 . . A . 25 GLU HB2 . . . 87 TRP HZ2 . . . . . 25 GLU- QB . . rr_1k3h 1 105 2 OR . 1 1 66 66 TRP HZ2 H . . . 1 1 4 4 GLU HB3 H . . . . . . . 5.14 . . . . . A . 87 TRP HZ2 . . A . 25 GLU HB3 . . . 87 TRP HZ2 . . . . . 25 GLU- QB . . rr_1k3h 1 106 1 OR . 1 1 66 66 TRP HH2 H . . . 1 1 4 4 GLU HB2 H . . . . . . . 5.15 . . . . . A . 87 TRP HH2 . . A . 25 GLU HB2 . . . 87 TRP HH2 . . . . . 25 GLU- QB . . rr_1k3h 1 106 2 OR . 1 1 66 66 TRP HH2 H . . . 1 1 4 4 GLU HB3 H . . . . . . . 5.15 . . . . . A . 87 TRP HH2 . . A . 25 GLU HB3 . . . 87 TRP HH2 . . . . . 25 GLU- QB . . rr_1k3h 1 107 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 GLU HG2 H . . . . . . . 4.82 . . . . . A . 26 ALA H . . A . 25 GLU HG2 . . . 26 ALA HN . . . . . 25 GLU- HG2 . . rr_1k3h 1 108 1 . . 1 1 66 66 TRP HE1 H . . . 1 1 4 4 GLU HG2 H . . . . . . . 5.50 . . . . . A . 87 TRP HE1 . . A . 25 GLU HG2 . . . 87 TRP HE1 . . . . . 25 GLU- HG2 . . rr_1k3h 1 109 1 . . 1 1 66 66 TRP HZ2 H . . . 1 1 4 4 GLU HG2 H . . . . . . . 5.50 . . . . . A . 87 TRP HZ2 . . A . 25 GLU HG2 . . . 87 TRP HZ2 . . . . . 25 GLU- HG2 . . rr_1k3h 1 110 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 GLU HG3 H . . . . . . . 4.82 . . . . . A . 26 ALA H . . A . 25 GLU HG3 . . . 26 ALA HN . . . . . 25 GLU- HG3 . . rr_1k3h 1 111 1 . . 1 1 4 4 GLU HG3 H . . . 1 1 66 66 TRP HE1 H . . . . . . . 5.50 . . . . . A . 25 GLU HG3 . . A . 87 TRP HE1 . . . 25 GLU- HG3 . . . . . 87 TRP HE1 . . rr_1k3h 1 112 1 . . 1 1 4 4 GLU HG3 H . . . 1 1 66 66 TRP HZ2 H . . . . . . . 5.50 . . . . . A . 25 GLU HG3 . . A . 87 TRP HZ2 . . . 25 GLU- HG3 . . . . . 87 TRP HZ2 . . rr_1k3h 1 113 1 OR . 1 1 5 5 ALA H H . . . 1 1 4 4 GLU HG2 H . . . . . . . 4.42 . . . . . A . 26 ALA H . . A . 25 GLU HG2 . . . 26 ALA HN . . . . . 25 GLU- QG . . rr_1k3h 1 113 2 OR . 1 1 5 5 ALA H H . . . 1 1 4 4 GLU HG3 H . . . . . . . 4.42 . . . . . A . 26 ALA H . . A . 25 GLU HG3 . . . 26 ALA HN . . . . . 25 GLU- QG . . rr_1k3h 1 114 1 OR . 1 1 66 66 TRP HE1 H . . . 1 1 4 4 GLU HG2 H . . . . . . . 5.11 . . . . . A . 87 TRP HE1 . . A . 25 GLU HG2 . . . 87 TRP HE1 . . . . . 25 GLU- QG . . rr_1k3h 1 114 2 OR . 1 1 4 4 GLU HG3 H . . . 1 1 66 66 TRP HE1 H . . . . . . . 5.11 . . . . . A . 25 GLU HG3 . . A . 87 TRP HE1 . . . 25 GLU- QG . . . . . 87 TRP HE1 . . rr_1k3h 1 115 1 OR . 1 1 66 66 TRP HZ2 H . . . 1 1 4 4 GLU HG2 H . . . . . . . 5.10 . . . . . A . 87 TRP HZ2 . . A . 25 GLU HG2 . . . 87 TRP HZ2 . . . . . 25 GLU- QG . . rr_1k3h 1 115 2 OR . 1 1 4 4 GLU HG3 H . . . 1 1 66 66 TRP HZ2 H . . . . . . . 5.10 . . . . . A . 25 GLU HG3 . . A . 87 TRP HZ2 . . . 25 GLU- QG . . . . . 87 TRP HZ2 . . rr_1k3h 1 116 1 OR . 1 1 66 66 TRP HH2 H . . . 1 1 4 4 GLU HG2 H . . . . . . . 6.38 . . . . . A . 87 TRP HH2 . . A . 25 GLU HG2 . . . 87 TRP HH2 . . . . . 25 GLU- QG . . rr_1k3h 1 116 2 OR . 1 1 4 4 GLU HG3 H . . . 1 1 66 66 TRP HH2 H . . . . . . . 6.38 . . . . . A . 25 GLU HG3 . . A . 87 TRP HH2 . . . 25 GLU- QG . . . . . 87 TRP HH2 . . rr_1k3h 1 117 1 . . 1 1 5 5 ALA MB H . . . 1 1 5 5 ALA H H . . . . . . . 3.61 . . . . . A . 26 ALA MB . . A . 26 ALA H . . . 26 ALA QB . . . . . 26 ALA HN . . rr_1k3h 1 118 1 . . 1 1 5 5 ALA H H . . . 1 1 6 6 VAL H H . . . . . . . 4.54 . . . . . A . 26 ALA H . . A . 27 VAL H . . . 26 ALA HN . . . . . 27 VAL HN . . rr_1k3h 1 119 1 . . 1 1 5 5 ALA H H . . . 1 1 6 6 VAL HA H . . . . . . . 5.50 . . . . . A . 26 ALA H . . A . 27 VAL HA . . . 26 ALA HN . . . . . 27 VAL HA . . rr_1k3h 1 120 1 . . 1 1 6 6 VAL HB H . . . 1 1 5 5 ALA H H . . . . . . . 5.50 . . . . . A . 27 VAL HB . . A . 26 ALA H . . . 27 VAL HB . . . . . 26 ALA HN . . rr_1k3h 1 121 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 5 5 ALA H H . . . . . . . 5.66 . . . . . A . 27 VAL MG2 . . A . 26 ALA H . . . 27 VAL QG2 . . . . . 26 ALA HN . . rr_1k3h 1 122 1 . . 1 1 5 5 ALA H H . . . 1 1 7 7 VAL H H . . . . . . . 5.34 . . . . . A . 26 ALA H . . A . 28 VAL H . . . 26 ALA HN . . . . . 28 VAL HN . . rr_1k3h 1 123 1 . . 1 1 5 5 ALA H H . . . 1 1 8 8 GLN H H . . . . . . . 5.50 . . . . . A . 26 ALA H . . A . 29 GLN H . . . 26 ALA HN . . . . . 29 GLN HN . . rr_1k3h 1 124 1 . . 1 1 5 5 ALA HA H . . . 1 1 7 7 VAL H H . . . . . . . 5.50 . . . . . A . 26 ALA HA . . A . 28 VAL H . . . 26 ALA HA . . . . . 28 VAL HN . . rr_1k3h 1 125 1 . . 1 1 5 5 ALA HA H . . . 1 1 8 8 GLN H H . . . . . . . 4.14 . . . . . A . 26 ALA HA . . A . 29 GLN H . . . 26 ALA HA . . . . . 29 GLN HN . . rr_1k3h 1 126 1 . . 1 1 5 5 ALA HA H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.67 . . . . . A . 26 ALA HA . . A . 29 GLN HB2 . . . 26 ALA HA . . . . . 29 GLN HB2 . . rr_1k3h 1 127 1 . . 1 1 5 5 ALA HA H . . . 1 1 8 8 GLN HB3 H . . . . . . . 4.07 . . . . . A . 26 ALA HA . . A . 29 GLN HB3 . . . 26 ALA HA . . . . . 29 GLN HB3 . . rr_1k3h 1 128 1 . . 1 1 5 5 ALA HA H . . . 1 1 8 8 GLN HG2 H . . . . . . . 5.47 . . . . . A . 26 ALA HA . . A . 29 GLN HG2 . . . 26 ALA HA . . . . . 29 GLN HG2 . . rr_1k3h 1 129 1 . . 1 1 5 5 ALA HA H . . . 1 1 8 8 GLN HG3 H . . . . . . . 5.50 . . . . . A . 26 ALA HA . . A . 29 GLN HG3 . . . 26 ALA HA . . . . . 29 GLN HG3 . . rr_1k3h 1 130 1 . . 1 1 5 5 ALA HA H . . . 1 1 9 9 GLN H H . . . . . . . 5.34 . . . . . A . 26 ALA HA . . A . 30 GLN H . . . 26 ALA HA . . . . . 30 GLN HN . . rr_1k3h 1 131 1 . . 1 1 5 5 ALA MB H . . . 1 1 6 6 VAL HA H . . . . . . . 5.94 . . . . . A . 26 ALA MB . . A . 27 VAL HA . . . 26 ALA QB . . . . . 27 VAL HA . . rr_1k3h 1 132 1 . . 1 1 5 5 ALA MB H . . . 1 1 8 8 GLN HB2 H . . . . . . . 6.28 . . . . . A . 26 ALA MB . . A . 29 GLN HB2 . . . 26 ALA QB . . . . . 29 GLN HB2 . . rr_1k3h 1 133 1 . . 1 1 5 5 ALA MB H . . . 1 1 9 9 GLN H H . . . . . . . 6.28 . . . . . A . 26 ALA MB . . A . 30 GLN H . . . 26 ALA QB . . . . . 30 GLN HN . . rr_1k3h 1 134 1 . . 1 1 6 6 VAL HB H . . . 1 1 6 6 VAL H H . . . . . . . 4.04 . . . . . A . 27 VAL HB . . A . 27 VAL H . . . 27 VAL HB . . . . . 27 VAL HN . . rr_1k3h 1 135 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 6 6 VAL H H . . . . . . . 4.61 . . . . . A . 27 VAL MG2 . . A . 27 VAL H . . . 27 VAL QG2 . . . . . 27 VAL HN . . rr_1k3h 1 136 1 . . 1 1 6 6 VAL H H . . . 1 1 7 7 VAL H H . . . . . . . 4.48 . . . . . A . 27 VAL H . . A . 28 VAL H . . . 27 VAL HN . . . . . 28 VAL HN . . rr_1k3h 1 137 1 . . 1 1 6 6 VAL H H . . . 1 1 63 63 VAL MG2 H . . . . . . . 6.53 . . . . . A . 27 VAL H . . A . 84 VAL MG2 . . . 27 VAL HN . . . . . 84 VAL QG2 . . rr_1k3h 1 138 1 . . 1 1 8 8 GLN H H . . . 1 1 6 6 VAL HA H . . . . . . . 5.50 . . . . . A . 29 GLN H . . A . 27 VAL HA . . . 29 GLN HN . . . . . 27 VAL HA . . rr_1k3h 1 139 1 . . 1 1 6 6 VAL HA H . . . 1 1 9 9 GLN H H . . . . . . . 4.29 . . . . . A . 27 VAL HA . . A . 30 GLN H . . . 27 VAL HA . . . . . 30 GLN HN . . rr_1k3h 1 140 1 OR . 1 1 6 6 VAL HA H . . . 1 1 9 9 GLN HB2 H . . . . . . . 4.46 . . . . . A . 27 VAL HA . . A . 30 GLN HB2 . . . 27 VAL HA . . . . . 30 GLN QB . . rr_1k3h 1 140 2 OR . 1 1 6 6 VAL HA H . . . 1 1 9 9 GLN HB3 H . . . . . . . 4.46 . . . . . A . 27 VAL HA . . A . 30 GLN HB3 . . . 27 VAL HA . . . . . 30 GLN QB . . rr_1k3h 1 141 1 OR . 1 1 6 6 VAL HA H . . . 1 1 9 9 GLN HG2 H . . . . . . . 6.38 . . . . . A . 27 VAL HA . . A . 30 GLN HG2 . . . 27 VAL HA . . . . . 30 GLN QG . . rr_1k3h 1 141 2 OR . 1 1 6 6 VAL HA H . . . 1 1 9 9 GLN HG3 H . . . . . . . 6.38 . . . . . A . 27 VAL HA . . A . 30 GLN HG3 . . . 27 VAL HA . . . . . 30 GLN QG . . rr_1k3h 1 142 1 OR . 1 1 6 6 VAL HA H . . . 1 1 10 10 LYS HB3 H . . . . . . . 5.92 . . . . . A . 27 VAL HA . . A . 31 LYS HB3 . . . 27 VAL HA . . . . . 31 LYS+ QB . . rr_1k3h 1 142 2 OR . 1 1 6 6 VAL HA H . . . 1 1 10 10 LYS HB2 H . . . . . . . 5.92 . . . . . A . 27 VAL HA . . A . 31 LYS HB2 . . . 27 VAL HA . . . . . 31 LYS+ QB . . rr_1k3h 1 143 1 OR . 1 1 6 6 VAL HA H . . . 1 1 10 10 LYS HE2 H . . . . . . . 6.38 . . . . . A . 27 VAL HA . . A . 31 LYS HE2 . . . 27 VAL HA . . . . . 31 LYS+ QE . . rr_1k3h 1 143 2 OR . 1 1 6 6 VAL HA H . . . 1 1 10 10 LYS HE3 H . . . . . . . 6.38 . . . . . A . 27 VAL HA . . A . 31 LYS HE3 . . . 27 VAL HA . . . . . 31 LYS+ QE . . rr_1k3h 1 144 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 6 6 VAL HA H . . . . . . . 6.53 . . . . . A . 84 VAL MG2 . . A . 27 VAL HA . . . 84 VAL QG2 . . . . . 27 VAL HA . . rr_1k3h 1 145 1 . . 1 1 6 6 VAL HB H . . . 1 1 7 7 VAL H H . . . . . . . 3.55 . . . . . A . 27 VAL HB . . A . 28 VAL H . . . 27 VAL HB . . . . . 28 VAL HN . . rr_1k3h 1 146 1 . . 1 1 6 6 VAL HB H . . . 1 1 7 7 VAL MG2 H . . . . . . . 5.10 . . . . . A . 27 VAL HB . . A . 28 VAL MG2 . . . 27 VAL HB . . . . . 28 VAL QG2 . . rr_1k3h 1 147 1 . . 1 1 6 6 VAL HB H . . . 1 1 63 63 VAL MG1 H . . . . . . . 6.53 . . . . . A . 27 VAL HB . . A . 84 VAL MG1 . . . 27 VAL HB . . . . . 84 VAL QG1 . . rr_1k3h 1 148 1 . . 1 1 6 6 VAL HB H . . . 1 1 63 63 VAL MG2 H . . . . . . . 3.89 . . . . . A . 27 VAL HB . . A . 84 VAL MG2 . . . 27 VAL HB . . . . . 84 VAL QG2 . . rr_1k3h 1 149 1 . . 1 1 7 7 VAL H H . . . 1 1 6 6 VAL MG1 H . . . . . . . 5.29 . . . . . A . 28 VAL H . . A . 27 VAL MG1 . . . 28 VAL HN . . . . . 27 VAL QG1 . . rr_1k3h 1 150 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 7 7 VAL HA H . . . . . . . 4.95 . . . . . A . 27 VAL MG1 . . A . 28 VAL HA . . . 27 VAL QG1 . . . . . 28 VAL HA . . rr_1k3h 1 151 1 . . 1 1 9 9 GLN H H . . . 1 1 6 6 VAL MG1 H . . . . . . . 6.53 . . . . . A . 30 GLN H . . A . 27 VAL MG1 . . . 30 GLN HN . . . . . 27 VAL QG1 . . rr_1k3h 1 152 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 9 9 GLN HB2 H . . . . . . . 6.91 . . . . . A . 27 VAL MG1 . . A . 30 GLN HB2 . . . 27 VAL QG1 . . . . . 30 GLN QB . . rr_1k3h 1 152 2 OR . 1 1 9 9 GLN HB3 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 6.91 . . . . . A . 30 GLN HB3 . . A . 27 VAL MG1 . . . 30 GLN QB . . . . . 27 VAL QG1 . . rr_1k3h 1 153 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS H H . . . . . . . 6.22 . . . . . A . 27 VAL MG1 . . A . 31 LYS H . . . 27 VAL QG1 . . . . . 31 LYS+ HN . . rr_1k3h 1 154 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 5.97 . . . . . A . 31 LYS HB2 . . A . 27 VAL MG1 . . . 31 LYS+ HB2 . . . . . 27 VAL QG1 . . rr_1k3h 1 155 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS HB3 H . . . . . . . 5.97 . . . . . A . 27 VAL MG1 . . A . 31 LYS HB3 . . . 27 VAL QG1 . . . . . 31 LYS+ HB3 . . rr_1k3h 1 156 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS HB3 H . . . . . . . 5.11 . . . . . A . 27 VAL MG1 . . A . 31 LYS HB3 . . . 27 VAL QG1 . . . . . 31 LYS+ QB . . rr_1k3h 1 156 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 5.11 . . . . . A . 31 LYS HB2 . . A . 27 VAL MG1 . . . 31 LYS+ QB . . . . . 27 VAL QG1 . . rr_1k3h 1 157 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS HG2 H . . . . . . . 5.44 . . . . . A . 27 VAL MG1 . . A . 31 LYS HG2 . . . 27 VAL QG1 . . . . . 31 LYS+ HG2 . . rr_1k3h 1 158 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS HG3 H . . . . . . . 5.44 . . . . . A . 27 VAL MG1 . . A . 31 LYS HG3 . . . 27 VAL QG1 . . . . . 31 LYS+ HG3 . . rr_1k3h 1 159 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS HG2 H . . . . . . . 5.08 . . . . . A . 27 VAL MG1 . . A . 31 LYS HG2 . . . 27 VAL QG1 . . . . . 31 LYS+ QG . . rr_1k3h 1 159 2 OR . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS HG3 H . . . . . . . 5.08 . . . . . A . 27 VAL MG1 . . A . 31 LYS HG3 . . . 27 VAL QG1 . . . . . 31 LYS+ QG . . rr_1k3h 1 160 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS HD2 H . . . . . . . 5.30 . . . . . A . 27 VAL MG1 . . A . 31 LYS HD2 . . . 27 VAL QG1 . . . . . 31 LYS+ QD . . rr_1k3h 1 160 2 OR . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS HD3 H . . . . . . . 5.30 . . . . . A . 27 VAL MG1 . . A . 31 LYS HD3 . . . 27 VAL QG1 . . . . . 31 LYS+ QD . . rr_1k3h 1 161 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 5.92 . . . . . A . 27 VAL MG1 . . A . 31 LYS HE2 . . . 27 VAL QG1 . . . . . 31 LYS+ QE . . rr_1k3h 1 161 2 OR . 1 1 10 10 LYS HE3 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 5.92 . . . . . A . 31 LYS HE3 . . A . 27 VAL MG1 . . . 31 LYS+ QE . . . . . 27 VAL QG1 . . rr_1k3h 1 162 1 . . 1 1 59 59 GLU HA H . . . 1 1 6 6 VAL MG1 H . . . . . . . 6.53 . . . . . A . 80 GLU HA . . A . 27 VAL MG1 . . . 80 GLU- HA . . . . . 27 VAL QG1 . . rr_1k3h 1 163 1 . . 1 1 59 59 GLU HB2 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 5.54 . . . . . A . 80 GLU HB2 . . A . 27 VAL MG1 . . . 80 GLU- HB2 . . . . . 27 VAL QG1 . . rr_1k3h 1 164 1 . . 1 1 59 59 GLU HB3 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 5.85 . . . . . A . 80 GLU HB3 . . A . 27 VAL MG1 . . . 80 GLU- HB3 . . . . . 27 VAL QG1 . . rr_1k3h 1 165 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 4.95 . . . . . A . 27 VAL MG1 . . A . 80 GLU HG2 . . . 27 VAL QG1 . . . . . 80 GLU- HG2 . . rr_1k3h 1 166 1 . . 1 1 59 59 GLU HG3 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 4.95 . . . . . A . 80 GLU HG3 . . A . 27 VAL MG1 . . . 80 GLU- HG3 . . . . . 27 VAL QG1 . . rr_1k3h 1 167 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 4.58 . . . . . A . 27 VAL MG1 . . A . 80 GLU HG2 . . . 27 VAL QG1 . . . . . 80 GLU- QG . . rr_1k3h 1 167 2 OR . 1 1 59 59 GLU HG3 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 4.58 . . . . . A . 80 GLU HG3 . . A . 27 VAL MG1 . . . 80 GLU- QG . . . . . 27 VAL QG1 . . rr_1k3h 1 168 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 7.56 . . . . . A . 84 VAL MG1 . . A . 27 VAL MG1 . . . 84 VAL QG1 . . . . . 27 VAL QG1 . . rr_1k3h 1 169 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 6 6 VAL MG1 H . . . . . . . 5.63 . . . . . A . 84 VAL MG2 . . A . 27 VAL MG1 . . . 84 VAL QG2 . . . . . 27 VAL QG1 . . rr_1k3h 1 170 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 7 7 VAL H H . . . . . . . 5.23 . . . . . A . 27 VAL MG2 . . A . 28 VAL H . . . 27 VAL QG2 . . . . . 28 VAL HN . . rr_1k3h 1 171 1 OR . 1 1 6 6 VAL MG2 H . . . 1 1 9 9 GLN HB2 H . . . . . . . 7.31 . . . . . A . 27 VAL MG2 . . A . 30 GLN HB2 . . . 27 VAL QG2 . . . . . 30 GLN QB . . rr_1k3h 1 171 2 OR . 1 1 6 6 VAL MG2 H . . . 1 1 9 9 GLN HB3 H . . . . . . . 7.31 . . . . . A . 27 VAL MG2 . . A . 30 GLN HB3 . . . 27 VAL QG2 . . . . . 30 GLN QB . . rr_1k3h 1 172 1 OR . 1 1 6 6 VAL MG2 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 7.04 . . . . . A . 27 VAL MG2 . . A . 31 LYS HE2 . . . 27 VAL QG2 . . . . . 31 LYS+ QE . . rr_1k3h 1 172 2 OR . 1 1 6 6 VAL MG2 H . . . 1 1 10 10 LYS HE3 H . . . . . . . 7.04 . . . . . A . 27 VAL MG2 . . A . 31 LYS HE3 . . . 27 VAL QG2 . . . . . 31 LYS+ QE . . rr_1k3h 1 173 1 . . 1 1 59 59 GLU HA H . . . 1 1 6 6 VAL MG2 H . . . . . . . 4.82 . . . . . A . 80 GLU HA . . A . 27 VAL MG2 . . . 80 GLU- HA . . . . . 27 VAL QG2 . . rr_1k3h 1 174 1 . . 1 1 59 59 GLU HB2 H . . . 1 1 6 6 VAL MG2 H . . . . . . . 4.73 . . . . . A . 80 GLU HB2 . . A . 27 VAL MG2 . . . 80 GLU- HB2 . . . . . 27 VAL QG2 . . rr_1k3h 1 175 1 . . 1 1 59 59 GLU HB3 H . . . 1 1 6 6 VAL MG2 H . . . . . . . 6.00 . . . . . A . 80 GLU HB3 . . A . 27 VAL MG2 . . . 80 GLU- HB3 . . . . . 27 VAL QG2 . . rr_1k3h 1 176 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 4.73 . . . . . A . 27 VAL MG2 . . A . 80 GLU HG2 . . . 27 VAL QG2 . . . . . 80 GLU- HG2 . . rr_1k3h 1 177 1 . . 1 1 59 59 GLU HG3 H . . . 1 1 6 6 VAL MG2 H . . . . . . . 4.73 . . . . . A . 80 GLU HG3 . . A . 27 VAL MG2 . . . 80 GLU- HG3 . . . . . 27 VAL QG2 . . rr_1k3h 1 178 1 OR . 1 1 6 6 VAL MG2 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 4.51 . . . . . A . 27 VAL MG2 . . A . 80 GLU HG2 . . . 27 VAL QG2 . . . . . 80 GLU- QG . . rr_1k3h 1 178 2 OR . 1 1 59 59 GLU HG3 H . . . 1 1 6 6 VAL MG2 H . . . . . . . 4.51 . . . . . A . 80 GLU HG3 . . A . 27 VAL MG2 . . . 80 GLU- QG . . . . . 27 VAL QG2 . . rr_1k3h 1 179 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 63 63 VAL MG1 H . . . . . . . 7.56 . . . . . A . 27 VAL MG2 . . A . 84 VAL MG1 . . . 27 VAL QG2 . . . . . 84 VAL QG1 . . rr_1k3h 1 180 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 63 63 VAL MG2 H . . . . . . . 6.10 . . . . . A . 27 VAL MG2 . . A . 84 VAL MG2 . . . 27 VAL QG2 . . . . . 84 VAL QG2 . . rr_1k3h 1 181 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL HB H . . . . . . . 3.17 . . . . . A . 28 VAL H . . A . 28 VAL HB . . . 28 VAL HN . . . . . 28 VAL HB . . rr_1k3h 1 182 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL MG1 H . . . . . . . 4.79 . . . . . A . 28 VAL H . . A . 28 VAL MG1 . . . 28 VAL HN . . . . . 28 VAL QG1 . . rr_1k3h 1 183 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 7 7 VAL H H . . . . . . . 3.86 . . . . . A . 28 VAL MG2 . . A . 28 VAL H . . . 28 VAL QG2 . . . . . 28 VAL HN . . rr_1k3h 1 184 1 . . 1 1 7 7 VAL H H . . . 1 1 8 8 GLN H H . . . . . . . 4.69 . . . . . A . 28 VAL H . . A . 29 GLN H . . . 28 VAL HN . . . . . 29 GLN HN . . rr_1k3h 1 185 1 . . 1 1 7 7 VAL H H . . . 1 1 63 63 VAL MG1 H . . . . . . . 6.53 . . . . . A . 28 VAL H . . A . 84 VAL MG1 . . . 28 VAL HN . . . . . 84 VAL QG1 . . rr_1k3h 1 186 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 7 7 VAL H H . . . . . . . 5.10 . . . . . A . 84 VAL MG2 . . A . 28 VAL H . . . 84 VAL QG2 . . . . . 28 VAL HN . . rr_1k3h 1 187 1 . . 1 1 7 7 VAL H H . . . 1 1 66 66 TRP HZ3 H . . . . . . . 5.50 . . . . . A . 28 VAL H . . A . 87 TRP HZ3 . . . 28 VAL HN . . . . . 87 TRP HZ3 . . rr_1k3h 1 188 1 . . 1 1 9 9 GLN H H . . . 1 1 7 7 VAL HA H . . . . . . . 5.50 . . . . . A . 30 GLN H . . A . 28 VAL HA . . . 30 GLN HN . . . . . 28 VAL HA . . rr_1k3h 1 189 1 . . 1 1 7 7 VAL HA H . . . 1 1 10 10 LYS H H . . . . . . . 4.48 . . . . . A . 28 VAL HA . . A . 31 LYS H . . . 28 VAL HA . . . . . 31 LYS+ HN . . rr_1k3h 1 190 1 OR . 1 1 7 7 VAL HA H . . . 1 1 10 10 LYS HB3 H . . . . . . . 5.60 . . . . . A . 28 VAL HA . . A . 31 LYS HB3 . . . 28 VAL HA . . . . . 31 LYS+ QB . . rr_1k3h 1 190 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 7 7 VAL HA H . . . . . . . 5.60 . . . . . A . 31 LYS HB2 . . A . 28 VAL HA . . . 31 LYS+ QB . . . . . 28 VAL HA . . rr_1k3h 1 191 1 . . 1 1 7 7 VAL HA H . . . 1 1 11 11 CYS H H . . . . . . . 3.98 . . . . . A . 28 VAL HA . . A . 32 CYS H . . . 28 VAL HA . . . . . 32 CYSS HN . . rr_1k3h 1 192 1 . . 1 1 7 7 VAL HA H . . . 1 1 11 11 CYS HB2 H . . . . . . . 5.50 . . . . . A . 28 VAL HA . . A . 32 CYS HB2 . . . 28 VAL HA . . . . . 32 CYSS HB2 . . rr_1k3h 1 193 1 . . 1 1 7 7 VAL HA H . . . 1 1 11 11 CYS HB3 H . . . . . . . 5.50 . . . . . A . 28 VAL HA . . A . 32 CYS HB3 . . . 28 VAL HA . . . . . 32 CYSS HB3 . . rr_1k3h 1 194 1 OR . 1 1 7 7 VAL HA H . . . 1 1 11 11 CYS HB3 H . . . . . . . 5.08 . . . . . A . 28 VAL HA . . A . 32 CYS HB3 . . . 28 VAL HA . . . . . 32 CYSS QB . . rr_1k3h 1 194 2 OR . 1 1 7 7 VAL HA H . . . 1 1 11 11 CYS HB2 H . . . . . . . 5.08 . . . . . A . 28 VAL HA . . A . 32 CYS HB2 . . . 28 VAL HA . . . . . 32 CYSS QB . . rr_1k3h 1 195 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 7 7 VAL HA H . . . . . . . 6.00 . . . . . A . 84 VAL MG1 . . A . 28 VAL HA . . . 84 VAL QG1 . . . . . 28 VAL HA . . rr_1k3h 1 196 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 7 7 VAL HA H . . . . . . . 5.19 . . . . . A . 84 VAL MG2 . . A . 28 VAL HA . . . 84 VAL QG2 . . . . . 28 VAL HA . . rr_1k3h 1 197 1 . . 1 1 7 7 VAL HB H . . . 1 1 8 8 GLN H H . . . . . . . 3.48 . . . . . A . 28 VAL HB . . A . 29 GLN H . . . 28 VAL HB . . . . . 29 GLN HN . . rr_1k3h 1 198 1 . . 1 1 7 7 VAL HB H . . . 1 1 8 8 GLN HA H . . . . . . . 5.22 . . . . . A . 28 VAL HB . . A . 29 GLN HA . . . 28 VAL HB . . . . . 29 GLN HA . . rr_1k3h 1 199 1 . . 1 1 7 7 VAL HB H . . . 1 1 8 8 GLN HG2 H . . . . . . . 5.50 . . . . . A . 28 VAL HB . . A . 29 GLN HG2 . . . 28 VAL HB . . . . . 29 GLN HG2 . . rr_1k3h 1 200 1 OR . 1 1 7 7 VAL HB H . . . 1 1 19 19 LEU MD1 H . . . . . . . 7.79 . . . . . A . 28 VAL HB . . A . 40 LEU MD1 . . . 28 VAL HB . . . . . 40 LEU QQD . . rr_1k3h 1 200 2 OR . 1 1 7 7 VAL HB H . . . 1 1 19 19 LEU MD2 H . . . . . . . 7.79 . . . . . A . 28 VAL HB . . A . 40 LEU MD2 . . . 28 VAL HB . . . . . 40 LEU QQD . . rr_1k3h 1 201 1 . . 1 1 7 7 VAL HB H . . . 1 1 63 63 VAL MG1 H . . . . . . . 6.25 . . . . . A . 28 VAL HB . . A . 84 VAL MG1 . . . 28 VAL HB . . . . . 84 VAL QG1 . . rr_1k3h 1 202 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 7 7 VAL HB H . . . . . . . 6.53 . . . . . A . 84 VAL MG2 . . A . 28 VAL HB . . . 84 VAL QG2 . . . . . 28 VAL HB . . rr_1k3h 1 203 1 . . 1 1 7 7 VAL HB H . . . 1 1 66 66 TRP HZ3 H . . . . . . . 5.50 . . . . . A . 28 VAL HB . . A . 87 TRP HZ3 . . . 28 VAL HB . . . . . 87 TRP HZ3 . . rr_1k3h 1 204 1 . . 1 1 7 7 VAL HB H . . . 1 1 66 66 TRP HH2 H . . . . . . . 5.44 . . . . . A . 28 VAL HB . . A . 87 TRP HH2 . . . 28 VAL HB . . . . . 87 TRP HH2 . . rr_1k3h 1 205 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN H H . . . . . . . 5.07 . . . . . A . 28 VAL MG1 . . A . 29 GLN H . . . 28 VAL QG1 . . . . . 29 GLN HN . . rr_1k3h 1 206 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN HA H . . . . . . . 5.72 . . . . . A . 28 VAL MG1 . . A . 29 GLN HA . . . 28 VAL QG1 . . . . . 29 GLN HA . . rr_1k3h 1 207 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN HG2 H . . . . . . . 6.03 . . . . . A . 28 VAL MG1 . . A . 29 GLN HG2 . . . 28 VAL QG1 . . . . . 29 GLN HG2 . . rr_1k3h 1 208 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN HG3 H . . . . . . . 6.53 . . . . . A . 28 VAL MG1 . . A . 29 GLN HG3 . . . 28 VAL QG1 . . . . . 29 GLN HG3 . . rr_1k3h 1 209 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN HE21 H . . . . . . . 6.16 . . . . . A . 28 VAL MG1 . . A . 29 GLN HE21 . . . 28 VAL QG1 . . . . . 29 GLN HE21 . . rr_1k3h 1 210 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN HE22 H . . . . . . . 6.53 . . . . . A . 28 VAL MG1 . . A . 29 GLN HE22 . . . 28 VAL QG1 . . . . . 29 GLN HE22 . . rr_1k3h 1 211 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 9 9 GLN H H . . . . . . . 6.53 . . . . . A . 28 VAL MG1 . . A . 30 GLN H . . . 28 VAL QG1 . . . . . 30 GLN HN . . rr_1k3h 1 212 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 11 11 CYS H H . . . . . . . 6.03 . . . . . A . 28 VAL MG1 . . A . 32 CYS H . . . 28 VAL QG1 . . . . . 32 CYSS HN . . rr_1k3h 1 213 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 11 11 CYS HB2 H . . . . . . . 4.51 . . . . . A . 28 VAL MG1 . . A . 32 CYS HB2 . . . 28 VAL QG1 . . . . . 32 CYSS HB2 . . rr_1k3h 1 214 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 11 11 CYS HB3 H . . . . . . . 4.51 . . . . . A . 28 VAL MG1 . . A . 32 CYS HB3 . . . 28 VAL QG1 . . . . . 32 CYSS HB3 . . rr_1k3h 1 215 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 12 12 ILE H H . . . . . . . 6.16 . . . . . A . 28 VAL MG1 . . A . 33 ILE H . . . 28 VAL QG1 . . . . . 33 ILE HN . . rr_1k3h 1 216 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 19 19 LEU HG H . . . . . . . 5.41 . . . . . A . 28 VAL MG1 . . A . 40 LEU HG . . . 28 VAL QG1 . . . . . 40 LEU HG . . rr_1k3h 1 217 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 6.32 . . . . . A . 28 VAL MG1 . . A . 40 LEU MD1 . . . 28 VAL QG1 . . . . . 40 LEU QD1 . . rr_1k3h 1 218 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 19 19 LEU MD2 H . . . . . . . 6.32 . . . . . A . 28 VAL MG1 . . A . 40 LEU MD2 . . . 28 VAL QG1 . . . . . 40 LEU QD2 . . rr_1k3h 1 219 1 OR . 1 1 7 7 VAL MG1 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 5.96 . . . . . A . 28 VAL MG1 . . A . 40 LEU MD1 . . . 28 VAL QG1 . . . . . 40 LEU QQD . . rr_1k3h 1 219 2 OR . 1 1 7 7 VAL MG1 H . . . 1 1 19 19 LEU MD2 H . . . . . . . 5.96 . . . . . A . 28 VAL MG1 . . A . 40 LEU MD2 . . . 28 VAL QG1 . . . . . 40 LEU QQD . . rr_1k3h 1 220 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 27 27 ILE MD H . . . . . . . 7.56 . . . . . A . 28 VAL MG1 . . A . 48 ILE MD . . . 28 VAL QG1 . . . . . 48 ILE QD1 . . rr_1k3h 1 221 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 63 63 VAL MG1 H . . . . . . . 7.56 . . . . . A . 28 VAL MG1 . . A . 84 VAL MG1 . . . 28 VAL QG1 . . . . . 84 VAL QG1 . . rr_1k3h 1 222 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 7 7 VAL MG1 H . . . . . . . 7.52 . . . . . A . 84 VAL MG2 . . A . 28 VAL MG1 . . . 84 VAL QG2 . . . . . 28 VAL QG1 . . rr_1k3h 1 223 1 . . 1 1 66 66 TRP HE3 H . . . 1 1 7 7 VAL MG1 H . . . . . . . 6.50 . . . . . A . 87 TRP HE3 . . A . 28 VAL MG1 . . . 87 TRP HE3 . . . . . 28 VAL QG1 . . rr_1k3h 1 224 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 66 66 TRP HZ3 H . . . . . . . 4.70 . . . . . A . 28 VAL MG1 . . A . 87 TRP HZ3 . . . 28 VAL QG1 . . . . . 87 TRP HZ3 . . rr_1k3h 1 225 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 66 66 TRP HZ2 H . . . . . . . 6.53 . . . . . A . 28 VAL MG1 . . A . 87 TRP HZ2 . . . 28 VAL QG1 . . . . . 87 TRP HZ2 . . rr_1k3h 1 226 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 66 66 TRP HH2 H . . . . . . . 5.04 . . . . . A . 28 VAL MG1 . . A . 87 TRP HH2 . . . 28 VAL QG1 . . . . . 87 TRP HH2 . . rr_1k3h 1 227 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.56 . . . . . A . 28 VAL MG1 . . A . 88 LEU MD1 . . . 28 VAL QG1 . . . . . 88 LEU QD1 . . rr_1k3h 1 228 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 7.56 . . . . . A . 28 VAL MG1 . . A . 88 LEU MD2 . . . 28 VAL QG1 . . . . . 88 LEU QD2 . . rr_1k3h 1 229 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 8 8 GLN H H . . . . . . . 5.32 . . . . . A . 28 VAL MG2 . . A . 29 GLN H . . . 28 VAL QG2 . . . . . 29 GLN HN . . rr_1k3h 1 230 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 8 8 GLN HG2 H . . . . . . . 6.53 . . . . . A . 28 VAL MG2 . . A . 29 GLN HG2 . . . 28 VAL QG2 . . . . . 29 GLN HG2 . . rr_1k3h 1 231 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 11 11 CYS HB2 H . . . . . . . 6.25 . . . . . A . 28 VAL MG2 . . A . 32 CYS HB2 . . . 28 VAL QG2 . . . . . 32 CYSS HB2 . . rr_1k3h 1 232 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 11 11 CYS HB3 H . . . . . . . 6.25 . . . . . A . 28 VAL MG2 . . A . 32 CYS HB3 . . . 28 VAL QG2 . . . . . 32 CYSS HB3 . . rr_1k3h 1 233 1 OR . 1 1 7 7 VAL MG2 H . . . 1 1 11 11 CYS HB3 H . . . . . . . 6.05 . . . . . A . 28 VAL MG2 . . A . 32 CYS HB3 . . . 28 VAL QG2 . . . . . 32 CYSS QB . . rr_1k3h 1 233 2 OR . 1 1 7 7 VAL MG2 H . . . 1 1 11 11 CYS HB2 H . . . . . . . 6.05 . . . . . A . 28 VAL MG2 . . A . 32 CYS HB2 . . . 28 VAL QG2 . . . . . 32 CYSS QB . . rr_1k3h 1 234 1 OR . 1 1 7 7 VAL MG2 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 8.35 . . . . . A . 28 VAL MG2 . . A . 40 LEU MD1 . . . 28 VAL QG2 . . . . . 40 LEU QQD . . rr_1k3h 1 234 2 OR . 1 1 7 7 VAL MG2 H . . . 1 1 19 19 LEU MD2 H . . . . . . . 8.35 . . . . . A . 28 VAL MG2 . . A . 40 LEU MD2 . . . 28 VAL QG2 . . . . . 40 LEU QQD . . rr_1k3h 1 235 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 63 63 VAL HA H . . . . . . . 6.16 . . . . . A . 28 VAL MG2 . . A . 84 VAL HA . . . 28 VAL QG2 . . . . . 84 VAL HA . . rr_1k3h 1 236 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 63 63 VAL MG1 H . . . . . . . 5.57 . . . . . A . 28 VAL MG2 . . A . 84 VAL MG1 . . . 28 VAL QG2 . . . . . 84 VAL QG1 . . rr_1k3h 1 237 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 66 66 TRP HE3 H . . . . . . . 4.85 . . . . . A . 28 VAL MG2 . . A . 87 TRP HE3 . . . 28 VAL QG2 . . . . . 87 TRP HE3 . . rr_1k3h 1 238 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 66 66 TRP HZ3 H . . . . . . . 4.33 . . . . . A . 28 VAL MG2 . . A . 87 TRP HZ3 . . . 28 VAL QG2 . . . . . 87 TRP HZ3 . . rr_1k3h 1 239 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 66 66 TRP HZ2 H . . . . . . . 6.53 . . . . . A . 28 VAL MG2 . . A . 87 TRP HZ2 . . . 28 VAL QG2 . . . . . 87 TRP HZ2 . . rr_1k3h 1 240 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 66 66 TRP HH2 H . . . . . . . 5.81 . . . . . A . 28 VAL MG2 . . A . 87 TRP HH2 . . . 28 VAL QG2 . . . . . 87 TRP HH2 . . rr_1k3h 1 241 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.56 . . . . . A . 28 VAL MG2 . . A . 88 LEU MD1 . . . 28 VAL QG2 . . . . . 88 LEU QD1 . . rr_1k3h 1 242 1 . . 1 1 7 7 VAL MG2 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 7.56 . . . . . A . 28 VAL MG2 . . A . 88 LEU MD2 . . . 28 VAL QG2 . . . . . 88 LEU QD2 . . rr_1k3h 1 243 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.30 . . . . . A . 29 GLN H . . A . 29 GLN HB2 . . . 29 GLN HN . . . . . 29 GLN HB2 . . rr_1k3h 1 244 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.86 . . . . . A . 29 GLN H . . A . 29 GLN HB3 . . . 29 GLN HN . . . . . 29 GLN HB3 . . rr_1k3h 1 245 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 4.23 . . . . . A . 29 GLN H . . A . 29 GLN HG2 . . . 29 GLN HN . . . . . 29 GLN HG2 . . rr_1k3h 1 246 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 4.91 . . . . . A . 29 GLN H . . A . 29 GLN HG3 . . . 29 GLN HN . . . . . 29 GLN HG3 . . rr_1k3h 1 247 1 . . 1 1 8 8 GLN H H . . . 1 1 9 9 GLN H H . . . . . . . 3.76 . . . . . A . 29 GLN H . . A . 30 GLN H . . . 29 GLN HN . . . . . 30 GLN HN . . rr_1k3h 1 248 1 . . 1 1 8 8 GLN H H . . . 1 1 10 10 LYS H H . . . . . . . 5.50 . . . . . A . 29 GLN H . . A . 31 LYS H . . . 29 GLN HN . . . . . 31 LYS+ HN . . rr_1k3h 1 249 1 . . 1 1 8 8 GLN H H . . . 1 1 11 11 CYS H H . . . . . . . 5.16 . . . . . A . 29 GLN H . . A . 32 CYS H . . . 29 GLN HN . . . . . 32 CYSS HN . . rr_1k3h 1 250 1 . . 1 1 8 8 GLN HA H . . . 1 1 8 8 GLN HE21 H . . . . . . . 5.50 . . . . . A . 29 GLN HA . . A . 29 GLN HE21 . . . 29 GLN HA . . . . . 29 GLN HE21 . . rr_1k3h 1 251 1 . . 1 1 8 8 GLN HA H . . . 1 1 8 8 GLN HE22 H . . . . . . . 5.50 . . . . . A . 29 GLN HA . . A . 29 GLN HE22 . . . 29 GLN HA . . . . . 29 GLN HE22 . . rr_1k3h 1 252 1 . . 1 1 11 11 CYS H H . . . 1 1 8 8 GLN HA H . . . . . . . 5.34 . . . . . A . 32 CYS H . . A . 29 GLN HA . . . 32 CYSS HN . . . . . 29 GLN HA . . rr_1k3h 1 253 1 . . 1 1 8 8 GLN HA H . . . 1 1 12 12 ILE H H . . . . . . . 4.82 . . . . . A . 29 GLN HA . . A . 33 ILE H . . . 29 GLN HA . . . . . 33 ILE HN . . rr_1k3h 1 254 1 . . 1 1 8 8 GLN HA H . . . 1 1 12 12 ILE MG H . . . . . . . 4.02 . . . . . A . 29 GLN HA . . A . 33 ILE MG . . . 29 GLN HA . . . . . 33 ILE QG2 . . rr_1k3h 1 255 1 . . 1 1 8 8 GLN HA H . . . 1 1 12 12 ILE HG12 H . . . . . . . 5.04 . . . . . A . 29 GLN HA . . A . 33 ILE HG12 . . . 29 GLN HA . . . . . 33 ILE HG12 . . rr_1k3h 1 256 1 . . 1 1 8 8 GLN HA H . . . 1 1 12 12 ILE HG13 H . . . . . . . 5.04 . . . . . A . 29 GLN HA . . A . 33 ILE HG13 . . . 29 GLN HA . . . . . 33 ILE HG13 . . rr_1k3h 1 257 1 OR . 1 1 8 8 GLN HA H . . . 1 1 12 12 ILE HG13 H . . . . . . . 4.50 . . . . . A . 29 GLN HA . . A . 33 ILE HG13 . . . 29 GLN HA . . . . . 33 ILE QG1 . . rr_1k3h 1 257 2 OR . 1 1 8 8 GLN HA H . . . 1 1 12 12 ILE HG12 H . . . . . . . 4.50 . . . . . A . 29 GLN HA . . A . 33 ILE HG12 . . . 29 GLN HA . . . . . 33 ILE QG1 . . rr_1k3h 1 258 1 . . 1 1 8 8 GLN HA H . . . 1 1 12 12 ILE MD H . . . . . . . 4.23 . . . . . A . 29 GLN HA . . A . 33 ILE MD . . . 29 GLN HA . . . . . 33 ILE QD1 . . rr_1k3h 1 259 1 . . 1 1 8 8 GLN HB2 H . . . 1 1 9 9 GLN H H . . . . . . . 4.20 . . . . . A . 29 GLN HB2 . . A . 30 GLN H . . . 29 GLN HB2 . . . . . 30 GLN HN . . rr_1k3h 1 260 1 . . 1 1 8 8 GLN HB2 H . . . 1 1 9 9 GLN HA H . . . . . . . 5.50 . . . . . A . 29 GLN HB2 . . A . 30 GLN HA . . . 29 GLN HB2 . . . . . 30 GLN HA . . rr_1k3h 1 261 1 . . 1 1 8 8 GLN HB3 H . . . 1 1 9 9 GLN H H . . . . . . . 4.29 . . . . . A . 29 GLN HB3 . . A . 30 GLN H . . . 29 GLN HB3 . . . . . 30 GLN HN . . rr_1k3h 1 262 1 . . 1 1 8 8 GLN HB3 H . . . 1 1 9 9 GLN HA H . . . . . . . 4.76 . . . . . A . 29 GLN HB3 . . A . 30 GLN HA . . . 29 GLN HB3 . . . . . 30 GLN HA . . rr_1k3h 1 263 1 . . 1 1 8 8 GLN HB3 H . . . 1 1 12 12 ILE MG H . . . . . . . 6.53 . . . . . A . 29 GLN HB3 . . A . 33 ILE MG . . . 29 GLN HB3 . . . . . 33 ILE QG2 . . rr_1k3h 1 264 1 . . 1 1 8 8 GLN HB3 H . . . 1 1 12 12 ILE MD H . . . . . . . 5.85 . . . . . A . 29 GLN HB3 . . A . 33 ILE MD . . . 29 GLN HB3 . . . . . 33 ILE QD1 . . rr_1k3h 1 265 1 . . 1 1 8 8 GLN HG2 H . . . 1 1 9 9 GLN H H . . . . . . . 5.50 . . . . . A . 29 GLN HG2 . . A . 30 GLN H . . . 29 GLN HG2 . . . . . 30 GLN HN . . rr_1k3h 1 266 1 . . 1 1 8 8 GLN HG2 H . . . 1 1 12 12 ILE MG H . . . . . . . 5.60 . . . . . A . 29 GLN HG2 . . A . 33 ILE MG . . . 29 GLN HG2 . . . . . 33 ILE QG2 . . rr_1k3h 1 267 1 . . 1 1 8 8 GLN HG3 H . . . 1 1 9 9 GLN H H . . . . . . . 5.50 . . . . . A . 29 GLN HG3 . . A . 30 GLN H . . . 29 GLN HG3 . . . . . 30 GLN HN . . rr_1k3h 1 268 1 . . 1 1 8 8 GLN HG3 H . . . 1 1 12 12 ILE MG H . . . . . . . 6.00 . . . . . A . 29 GLN HG3 . . A . 33 ILE MG . . . 29 GLN HG3 . . . . . 33 ILE QG2 . . rr_1k3h 1 269 1 . . 1 1 8 8 GLN HG3 H . . . 1 1 12 12 ILE MD H . . . . . . . 6.43 . . . . . A . 29 GLN HG3 . . A . 33 ILE MD . . . 29 GLN HG3 . . . . . 33 ILE QD1 . . rr_1k3h 1 270 1 . . 1 1 8 8 GLN HE21 H . . . 1 1 12 12 ILE MG H . . . . . . . 5.23 . . . . . A . 29 GLN HE21 . . A . 33 ILE MG . . . 29 GLN HE21 . . . . . 33 ILE QG2 . . rr_1k3h 1 271 1 . . 1 1 8 8 GLN HE22 H . . . 1 1 12 12 ILE MG H . . . . . . . 5.69 . . . . . A . 29 GLN HE22 . . A . 33 ILE MG . . . 29 GLN HE22 . . . . . 33 ILE QG2 . . rr_1k3h 1 272 1 . . 1 1 8 8 GLN HE22 H . . . 1 1 12 12 ILE MD H . . . . . . . 6.22 . . . . . A . 29 GLN HE22 . . A . 33 ILE MD . . . 29 GLN HE22 . . . . . 33 ILE QD1 . . rr_1k3h 1 273 1 . . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HB2 H . . . . . . . 4.04 . . . . . A . 30 GLN H . . A . 30 GLN HB2 . . . 30 GLN HN . . . . . 30 GLN HB2 . . rr_1k3h 1 274 1 . . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HB3 H . . . . . . . 4.04 . . . . . A . 30 GLN H . . A . 30 GLN HB3 . . . 30 GLN HN . . . . . 30 GLN HB3 . . rr_1k3h 1 275 1 OR . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HB2 H . . . . . . . 3.54 . . . . . A . 30 GLN H . . A . 30 GLN HB2 . . . 30 GLN HN . . . . . 30 GLN QB . . rr_1k3h 1 275 2 OR . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HB3 H . . . . . . . 3.54 . . . . . A . 30 GLN H . . A . 30 GLN HB3 . . . 30 GLN HN . . . . . 30 GLN QB . . rr_1k3h 1 276 1 OR . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HG2 H . . . . . . . 5.51 . . . . . A . 30 GLN H . . A . 30 GLN HG2 . . . 30 GLN HN . . . . . 30 GLN QG . . rr_1k3h 1 276 2 OR . 1 1 9 9 GLN H H . . . 1 1 9 9 GLN HG3 H . . . . . . . 5.51 . . . . . A . 30 GLN H . . A . 30 GLN HG3 . . . 30 GLN HN . . . . . 30 GLN QG . . rr_1k3h 1 277 1 . . 1 1 9 9 GLN H H . . . 1 1 10 10 LYS H H . . . . . . . 3.42 . . . . . A . 30 GLN H . . A . 31 LYS H . . . 30 GLN HN . . . . . 31 LYS+ HN . . rr_1k3h 1 278 1 OR . 1 1 9 9 GLN H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 5.60 . . . . . A . 30 GLN H . . A . 31 LYS HB3 . . . 30 GLN HN . . . . . 31 LYS+ QB . . rr_1k3h 1 278 2 OR . 1 1 9 9 GLN H H . . . 1 1 10 10 LYS HB2 H . . . . . . . 5.60 . . . . . A . 30 GLN H . . A . 31 LYS HB2 . . . 30 GLN HN . . . . . 31 LYS+ QB . . rr_1k3h 1 279 1 . . 1 1 9 9 GLN H H . . . 1 1 11 11 CYS H H . . . . . . . 4.85 . . . . . A . 30 GLN H . . A . 32 CYS H . . . 30 GLN HN . . . . . 32 CYSS HN . . rr_1k3h 1 280 1 OR . 1 1 9 9 GLN HA H . . . 1 1 9 9 GLN HE21 H . . . . . . . 6.37 . . . . . A . 30 GLN HA . . A . 30 GLN HE21 . . . 30 GLN HA . . . . . 30 GLN QE2 . . rr_1k3h 1 280 2 OR . 1 1 9 9 GLN HA H . . . 1 1 9 9 GLN HE22 H . . . . . . . 6.37 . . . . . A . 30 GLN HA . . A . 30 GLN HE22 . . . 30 GLN HA . . . . . 30 GLN QE2 . . rr_1k3h 1 281 1 . . 1 1 9 9 GLN HE21 H . . . 1 1 9 9 GLN HB2 H . . . . . . . 7.25 . . . . . A . 30 GLN HE21 . . A . 30 GLN HB2 . . . 30 GLN HE21 . . . . . 30 GLN HB2 . . rr_1k3h 1 282 1 . . 1 1 9 9 GLN HE22 H . . . 1 1 9 9 GLN HB2 H . . . . . . . 7.25 . . . . . A . 30 GLN HE22 . . A . 30 GLN HB2 . . . 30 GLN HE22 . . . . . 30 GLN HB2 . . rr_1k3h 1 283 1 . . 1 1 9 9 GLN HB3 H . . . 1 1 9 9 GLN HE21 H . . . . . . . 7.25 . . . . . A . 30 GLN HB3 . . A . 30 GLN HE21 . . . 30 GLN HB3 . . . . . 30 GLN HE21 . . rr_1k3h 1 284 1 . . 1 1 9 9 GLN HB3 H . . . 1 1 9 9 GLN HE22 H . . . . . . . 7.25 . . . . . A . 30 GLN HB3 . . A . 30 GLN HE22 . . . 30 GLN HB3 . . . . . 30 GLN HE22 . . rr_1k3h 1 285 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLN HB2 H . . . . . . . 4.49 . . . . . A . 31 LYS H . . A . 30 GLN HB2 . . . 31 LYS+ HN . . . . . 30 GLN QB . . rr_1k3h 1 285 2 OR . 1 1 9 9 GLN HB3 H . . . 1 1 10 10 LYS H H . . . . . . . 4.49 . . . . . A . 30 GLN HB3 . . A . 31 LYS H . . . 30 GLN QB . . . . . 31 LYS+ HN . . rr_1k3h 1 286 1 OR . 1 1 9 9 GLN HB3 H . . . 1 1 10 10 LYS HB3 H . . . . . . . 7.25 . . . . . A . 30 GLN HB3 . . A . 31 LYS HB3 . . . 30 GLN QB . . . . . 31 LYS+ QB . . rr_1k3h 1 286 2 OR . 1 1 9 9 GLN HB2 H . . . 1 1 10 10 LYS HB3 H . . . . . . . 7.25 . . . . . A . 30 GLN HB2 . . A . 31 LYS HB3 . . . 30 GLN QB . . . . . 31 LYS+ QB . . rr_1k3h 1 286 3 OR . 1 1 10 10 LYS HB2 H . . . 1 1 9 9 GLN HB2 H . . . . . . . 7.25 . . . . . A . 31 LYS HB2 . . A . 30 GLN HB2 . . . 31 LYS+ QB . . . . . 30 GLN QB . . rr_1k3h 1 286 4 OR . 1 1 9 9 GLN HB3 H . . . 1 1 10 10 LYS HB2 H . . . . . . . 7.25 . . . . . A . 30 GLN HB3 . . A . 31 LYS HB2 . . . 30 GLN QB . . . . . 31 LYS+ QB . . rr_1k3h 1 287 1 OR . 1 1 9 9 GLN HB2 H . . . 1 1 10 10 LYS HG2 H . . . . . . . 6.07 . . . . . A . 30 GLN HB2 . . A . 31 LYS HG2 . . . 30 GLN QB . . . . . 31 LYS+ QG . . rr_1k3h 1 287 2 OR . 1 1 9 9 GLN HB3 H . . . 1 1 10 10 LYS HG2 H . . . . . . . 6.07 . . . . . A . 30 GLN HB3 . . A . 31 LYS HG2 . . . 30 GLN QB . . . . . 31 LYS+ QG . . rr_1k3h 1 287 3 OR . 1 1 10 10 LYS HG3 H . . . 1 1 9 9 GLN HB2 H . . . . . . . 6.07 . . . . . A . 31 LYS HG3 . . A . 30 GLN HB2 . . . 31 LYS+ QG . . . . . 30 GLN QB . . rr_1k3h 1 287 4 OR . 1 1 9 9 GLN HB3 H . . . 1 1 10 10 LYS HG3 H . . . . . . . 6.07 . . . . . A . 30 GLN HB3 . . A . 31 LYS HG3 . . . 30 GLN QB . . . . . 31 LYS+ QG . . rr_1k3h 1 288 1 OR . 1 1 9 9 GLN HB3 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 7.13 . . . . . A . 30 GLN HB3 . . A . 31 LYS HE2 . . . 30 GLN QB . . . . . 31 LYS+ QE . . rr_1k3h 1 288 2 OR . 1 1 9 9 GLN HB2 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 7.13 . . . . . A . 30 GLN HB2 . . A . 31 LYS HE2 . . . 30 GLN QB . . . . . 31 LYS+ QE . . rr_1k3h 1 288 3 OR . 1 1 10 10 LYS HE3 H . . . 1 1 9 9 GLN HB2 H . . . . . . . 7.13 . . . . . A . 31 LYS HE3 . . A . 30 GLN HB2 . . . 31 LYS+ QE . . . . . 30 GLN QB . . rr_1k3h 1 288 4 OR . 1 1 9 9 GLN HB3 H . . . 1 1 10 10 LYS HE3 H . . . . . . . 7.13 . . . . . A . 30 GLN HB3 . . A . 31 LYS HE3 . . . 30 GLN QB . . . . . 31 LYS+ QE . . rr_1k3h 1 289 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLN HG2 H . . . . . . . 6.38 . . . . . A . 31 LYS H . . A . 30 GLN HG2 . . . 31 LYS+ HN . . . . . 30 GLN QG . . rr_1k3h 1 289 2 OR . 1 1 9 9 GLN HG3 H . . . 1 1 10 10 LYS H H . . . . . . . 6.38 . . . . . A . 30 GLN HG3 . . A . 31 LYS H . . . 30 GLN QG . . . . . 31 LYS+ HN . . rr_1k3h 1 290 1 OR . 1 1 9 9 GLN HG3 H . . . 1 1 10 10 LYS HB3 H . . . . . . . 7.22 . . . . . A . 30 GLN HG3 . . A . 31 LYS HB3 . . . 30 GLN QG . . . . . 31 LYS+ QB . . rr_1k3h 1 290 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 9 9 GLN HG2 H . . . . . . . 7.22 . . . . . A . 31 LYS HB2 . . A . 30 GLN HG2 . . . 31 LYS+ QB . . . . . 30 GLN QG . . rr_1k3h 1 290 3 OR . 1 1 9 9 GLN HG3 H . . . 1 1 10 10 LYS HB2 H . . . . . . . 7.22 . . . . . A . 30 GLN HG3 . . A . 31 LYS HB2 . . . 30 GLN QG . . . . . 31 LYS+ QB . . rr_1k3h 1 290 4 OR . 1 1 9 9 GLN HG2 H . . . 1 1 10 10 LYS HB3 H . . . . . . . 7.22 . . . . . A . 30 GLN HG2 . . A . 31 LYS HB3 . . . 30 GLN QG . . . . . 31 LYS+ QB . . rr_1k3h 1 291 1 OR . 1 1 9 9 GLN HE21 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 7.24 . . . . . A . 30 GLN HE21 . . A . 31 LYS HE2 . . . 30 GLN QE2 . . . . . 31 LYS+ QE . . rr_1k3h 1 291 2 OR . 1 1 10 10 LYS HE3 H . . . 1 1 9 9 GLN HE21 H . . . . . . . 7.24 . . . . . A . 31 LYS HE3 . . A . 30 GLN HE21 . . . 31 LYS+ QE . . . . . 30 GLN QE2 . . rr_1k3h 1 291 3 OR . 1 1 10 10 LYS HE3 H . . . 1 1 9 9 GLN HE22 H . . . . . . . 7.24 . . . . . A . 31 LYS HE3 . . A . 30 GLN HE22 . . . 31 LYS+ QE . . . . . 30 GLN QE2 . . rr_1k3h 1 291 4 OR . 1 1 9 9 GLN HE22 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 7.24 . . . . . A . 30 GLN HE22 . . A . 31 LYS HE2 . . . 30 GLN QE2 . . . . . 31 LYS+ QE . . rr_1k3h 1 292 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 3.70 . . . . . A . 31 LYS H . . A . 31 LYS HB3 . . . 31 LYS+ HN . . . . . 31 LYS+ QB . . rr_1k3h 1 292 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS H H . . . . . . . 3.70 . . . . . A . 31 LYS HB2 . . A . 31 LYS H . . . 31 LYS+ QB . . . . . 31 LYS+ HN . . rr_1k3h 1 293 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 5.50 . . . . . A . 31 LYS H . . A . 31 LYS HG2 . . . 31 LYS+ HN . . . . . 31 LYS+ HG2 . . rr_1k3h 1 294 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 5.50 . . . . . A . 31 LYS H . . A . 31 LYS HG3 . . . 31 LYS+ HN . . . . . 31 LYS+ HG3 . . rr_1k3h 1 295 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 5.29 . . . . . A . 31 LYS H . . A . 31 LYS HG2 . . . 31 LYS+ HN . . . . . 31 LYS+ QG . . rr_1k3h 1 295 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 5.29 . . . . . A . 31 LYS H . . A . 31 LYS HG3 . . . 31 LYS+ HN . . . . . 31 LYS+ QG . . rr_1k3h 1 296 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . . . 6.38 . . . . . A . 31 LYS H . . A . 31 LYS HD2 . . . 31 LYS+ HN . . . . . 31 LYS+ QD . . rr_1k3h 1 296 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD3 H . . . . . . . 6.38 . . . . . A . 31 LYS H . . A . 31 LYS HD3 . . . 31 LYS+ HN . . . . . 31 LYS+ QD . . rr_1k3h 1 297 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HE2 H . . . . . . . 6.38 . . . . . A . 31 LYS H . . A . 31 LYS HE2 . . . 31 LYS+ HN . . . . . 31 LYS+ QE . . rr_1k3h 1 297 2 OR . 1 1 10 10 LYS HE3 H . . . 1 1 10 10 LYS H H . . . . . . . 6.38 . . . . . A . 31 LYS HE3 . . A . 31 LYS H . . . 31 LYS+ QE . . . . . 31 LYS+ HN . . rr_1k3h 1 298 1 . . 1 1 10 10 LYS H H . . . 1 1 11 11 CYS H H . . . . . . . 3.42 . . . . . A . 31 LYS H . . A . 32 CYS H . . . 31 LYS+ HN . . . . . 32 CYSS HN . . rr_1k3h 1 299 1 OR . 1 1 10 10 LYS H H . . . 1 1 11 11 CYS HB3 H . . . . . . . 6.38 . . . . . A . 31 LYS H . . A . 32 CYS HB3 . . . 31 LYS+ HN . . . . . 32 CYSS QB . . rr_1k3h 1 299 2 OR . 1 1 10 10 LYS H H . . . 1 1 11 11 CYS HB2 H . . . . . . . 6.38 . . . . . A . 31 LYS H . . A . 32 CYS HB2 . . . 31 LYS+ HN . . . . . 32 CYSS QB . . rr_1k3h 1 300 1 . . 1 1 10 10 LYS H H . . . 1 1 12 12 ILE H H . . . . . . . 5.50 . . . . . A . 31 LYS H . . A . 33 ILE H . . . 31 LYS+ HN . . . . . 33 ILE HN . . rr_1k3h 1 301 1 . . 1 1 10 10 LYS H H . . . 1 1 12 12 ILE MG H . . . . . . . 6.53 . . . . . A . 31 LYS H . . A . 33 ILE MG . . . 31 LYS+ HN . . . . . 33 ILE QG2 . . rr_1k3h 1 302 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG2 H . . . . . . . 3.91 . . . . . A . 31 LYS HA . . A . 31 LYS HG2 . . . 31 LYS+ HA . . . . . 31 LYS+ QG . . rr_1k3h 1 302 2 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HA H . . . . . . . 3.91 . . . . . A . 31 LYS HG3 . . A . 31 LYS HA . . . 31 LYS+ QG . . . . . 31 LYS+ HA . . rr_1k3h 1 303 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD2 H . . . . . . . 5.30 . . . . . A . 31 LYS HA . . A . 31 LYS HD2 . . . 31 LYS+ HA . . . . . 31 LYS+ QD . . rr_1k3h 1 303 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 10 10 LYS HA H . . . . . . . 5.30 . . . . . A . 31 LYS HD3 . . A . 31 LYS HA . . . 31 LYS+ QD . . . . . 31 LYS+ HA . . rr_1k3h 1 304 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HE2 H . . . . . . . 6.38 . . . . . A . 31 LYS HA . . A . 31 LYS HE2 . . . 31 LYS+ HA . . . . . 31 LYS+ QE . . rr_1k3h 1 304 2 OR . 1 1 10 10 LYS HE3 H . . . 1 1 10 10 LYS HA H . . . . . . . 6.38 . . . . . A . 31 LYS HE3 . . A . 31 LYS HA . . . 31 LYS+ QE . . . . . 31 LYS+ HA . . rr_1k3h 1 305 1 . . 1 1 10 10 LYS HA H . . . 1 1 54 54 ILE MG H . . . . . . . 5.38 . . . . . A . 31 LYS HA . . A . 75 ILE MG . . . 31 LYS+ HA . . . . . 75 ILE QG2 . . rr_1k3h 1 306 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 11 11 CYS H H . . . . . . . 5.00 . . . . . A . 31 LYS HB2 . . A . 32 CYS H . . . 31 LYS+ HB2 . . . . . 32 CYSS HN . . rr_1k3h 1 307 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 54 54 ILE MG H . . . . . . . 4.30 . . . . . A . 31 LYS HB2 . . A . 75 ILE MG . . . 31 LYS+ HB2 . . . . . 75 ILE QG2 . . rr_1k3h 1 308 1 . . 1 1 11 11 CYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 5.00 . . . . . A . 32 CYS H . . A . 31 LYS HB3 . . . 32 CYSS HN . . . . . 31 LYS+ HB3 . . rr_1k3h 1 309 1 . . 1 1 54 54 ILE MG H . . . 1 1 10 10 LYS HB3 H . . . . . . . 4.30 . . . . . A . 75 ILE MG . . A . 31 LYS HB3 . . . 75 ILE QG2 . . . . . 31 LYS+ HB3 . . rr_1k3h 1 310 1 OR . 1 1 10 10 LYS HB3 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 5.45 . . . . . A . 31 LYS HB3 . . A . 31 LYS HE2 . . . 31 LYS+ QB . . . . . 31 LYS+ QE . . rr_1k3h 1 310 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS HE2 H . . . . . . . 5.45 . . . . . A . 31 LYS HB2 . . A . 31 LYS HE2 . . . 31 LYS+ QB . . . . . 31 LYS+ QE . . rr_1k3h 1 310 3 OR . 1 1 10 10 LYS HE3 H . . . 1 1 10 10 LYS HB3 H . . . . . . . 5.45 . . . . . A . 31 LYS HE3 . . A . 31 LYS HB3 . . . 31 LYS+ QE . . . . . 31 LYS+ QB . . rr_1k3h 1 310 4 OR . 1 1 10 10 LYS HB2 H . . . 1 1 10 10 LYS HE3 H . . . . . . . 5.45 . . . . . A . 31 LYS HB2 . . A . 31 LYS HE3 . . . 31 LYS+ QB . . . . . 31 LYS+ QE . . rr_1k3h 1 311 1 OR . 1 1 11 11 CYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 4.59 . . . . . A . 32 CYS H . . A . 31 LYS HB3 . . . 32 CYSS HN . . . . . 31 LYS+ QB . . rr_1k3h 1 311 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 11 11 CYS H H . . . . . . . 4.59 . . . . . A . 31 LYS HB2 . . A . 32 CYS H . . . 31 LYS+ QB . . . . . 32 CYSS HN . . rr_1k3h 1 312 1 OR . 1 1 54 54 ILE MG H . . . 1 1 10 10 LYS HB3 H . . . . . . . 4.08 . . . . . A . 75 ILE MG . . A . 31 LYS HB3 . . . 75 ILE QG2 . . . . . 31 LYS+ QB . . rr_1k3h 1 312 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 54 54 ILE MG H . . . . . . . 4.08 . . . . . A . 31 LYS HB2 . . A . 75 ILE MG . . . 31 LYS+ QB . . . . . 75 ILE QG2 . . rr_1k3h 1 313 1 OR . 1 1 55 55 ALA MB H . . . 1 1 10 10 LYS HB3 H . . . . . . . 5.67 . . . . . A . 76 ALA MB . . A . 31 LYS HB3 . . . 76 ALA QB . . . . . 31 LYS+ QB . . rr_1k3h 1 313 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 55 55 ALA MB H . . . . . . . 5.67 . . . . . A . 31 LYS HB2 . . A . 76 ALA MB . . . 31 LYS+ QB . . . . . 76 ALA QB . . rr_1k3h 1 314 1 . . 1 1 55 55 ALA MB H . . . 1 1 10 10 LYS HG2 H . . . . . . . 6.53 . . . . . A . 76 ALA MB . . A . 31 LYS HG2 . . . 76 ALA QB . . . . . 31 LYS+ HG2 . . rr_1k3h 1 315 1 . . 1 1 10 10 LYS HG3 H . . . 1 1 55 55 ALA MB H . . . . . . . 6.53 . . . . . A . 31 LYS HG3 . . A . 76 ALA MB . . . 31 LYS+ HG3 . . . . . 76 ALA QB . . rr_1k3h 1 316 1 OR . 1 1 55 55 ALA MB H . . . 1 1 10 10 LYS HG2 H . . . . . . . 5.82 . . . . . A . 76 ALA MB . . A . 31 LYS HG2 . . . 76 ALA QB . . . . . 31 LYS+ QG . . rr_1k3h 1 316 2 OR . 1 1 10 10 LYS HG3 H . . . 1 1 55 55 ALA MB H . . . . . . . 5.82 . . . . . A . 31 LYS HG3 . . A . 76 ALA MB . . . 31 LYS+ QG . . . . . 76 ALA QB . . rr_1k3h 1 317 1 OR . 1 1 55 55 ALA MB H . . . 1 1 10 10 LYS HD2 H . . . . . . . 6.45 . . . . . A . 76 ALA MB . . A . 31 LYS HD2 . . . 76 ALA QB . . . . . 31 LYS+ QD . . rr_1k3h 1 317 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 55 55 ALA MB H . . . . . . . 6.45 . . . . . A . 31 LYS HD3 . . A . 76 ALA MB . . . 31 LYS+ QD . . . . . 76 ALA QB . . rr_1k3h 1 318 1 OR . 1 1 54 54 ILE MG H . . . 1 1 10 10 LYS HE2 H . . . . . . . 6.91 . . . . . A . 75 ILE MG . . A . 31 LYS HE2 . . . 75 ILE QG2 . . . . . 31 LYS+ QE . . rr_1k3h 1 318 2 OR . 1 1 10 10 LYS HE3 H . . . 1 1 54 54 ILE MG H . . . . . . . 6.91 . . . . . A . 31 LYS HE3 . . A . 75 ILE MG . . . 31 LYS+ QE . . . . . 75 ILE QG2 . . rr_1k3h 1 319 1 OR . 1 1 55 55 ALA HA H . . . 1 1 10 10 LYS HE2 H . . . . . . . 6.38 . . . . . A . 76 ALA HA . . A . 31 LYS HE2 . . . 76 ALA HA . . . . . 31 LYS+ QE . . rr_1k3h 1 319 2 OR . 1 1 10 10 LYS HE3 H . . . 1 1 55 55 ALA HA H . . . . . . . 6.38 . . . . . A . 31 LYS HE3 . . A . 76 ALA HA . . . 31 LYS+ QE . . . . . 76 ALA HA . . rr_1k3h 1 320 1 OR . 1 1 55 55 ALA MB H . . . 1 1 10 10 LYS HE2 H . . . . . . . 7.13 . . . . . A . 76 ALA MB . . A . 31 LYS HE2 . . . 76 ALA QB . . . . . 31 LYS+ QE . . rr_1k3h 1 320 2 OR . 1 1 10 10 LYS HE3 H . . . 1 1 55 55 ALA MB H . . . . . . . 7.13 . . . . . A . 31 LYS HE3 . . A . 76 ALA MB . . . 31 LYS+ QE . . . . . 76 ALA QB . . rr_1k3h 1 321 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . . . 4.14 . . . . . A . 32 CYS H . . A . 32 CYS HB2 . . . 32 CYSS HN . . . . . 32 CYSS HB2 . . rr_1k3h 1 322 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . . . 4.14 . . . . . A . 32 CYS H . . A . 32 CYS HB3 . . . 32 CYSS HN . . . . . 32 CYSS HB3 . . rr_1k3h 1 323 1 . . 1 1 11 11 CYS H H . . . 1 1 12 12 ILE H H . . . . . . . 3.27 . . . . . A . 32 CYS H . . A . 33 ILE H . . . 32 CYSS HN . . . . . 33 ILE HN . . rr_1k3h 1 324 1 . . 1 1 11 11 CYS H H . . . 1 1 12 12 ILE MG H . . . . . . . 5.57 . . . . . A . 32 CYS H . . A . 33 ILE MG . . . 32 CYSS HN . . . . . 33 ILE QG2 . . rr_1k3h 1 325 1 . . 1 1 11 11 CYS H H . . . 1 1 12 12 ILE HG12 H . . . . . . . 5.50 . . . . . A . 32 CYS H . . A . 33 ILE HG12 . . . 32 CYSS HN . . . . . 33 ILE HG12 . . rr_1k3h 1 326 1 . . 1 1 11 11 CYS H H . . . 1 1 12 12 ILE HG13 H . . . . . . . 5.50 . . . . . A . 32 CYS H . . A . 33 ILE HG13 . . . 32 CYSS HN . . . . . 33 ILE HG13 . . rr_1k3h 1 327 1 . . 1 1 11 11 CYS H H . . . 1 1 12 12 ILE MD H . . . . . . . 6.53 . . . . . A . 32 CYS H . . A . 33 ILE MD . . . 32 CYSS HN . . . . . 33 ILE QD1 . . rr_1k3h 1 328 1 . . 1 1 11 11 CYS HB2 H . . . 1 1 12 12 ILE H H . . . . . . . 4.82 . . . . . A . 32 CYS HB2 . . A . 33 ILE H . . . 32 CYSS HB2 . . . . . 33 ILE HN . . rr_1k3h 1 329 1 . . 1 1 11 11 CYS HB2 H . . . 1 1 12 12 ILE HA H . . . . . . . 5.50 . . . . . A . 32 CYS HB2 . . A . 33 ILE HA . . . 32 CYSS HB2 . . . . . 33 ILE HA . . rr_1k3h 1 330 1 . . 1 1 11 11 CYS HB2 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 9.67 . . . . . A . 32 CYS HB2 . . A . 40 LEU MD1 . . . 32 CYSS HB2 . . . . . 40 LEU QD1 . . rr_1k3h 1 331 1 . . 1 1 11 11 CYS HB2 H . . . 1 1 19 19 LEU MD2 H . . . . . . . 9.67 . . . . . A . 32 CYS HB2 . . A . 40 LEU MD2 . . . 32 CYSS HB2 . . . . . 40 LEU QD2 . . rr_1k3h 1 332 1 . . 1 1 12 12 ILE H H . . . 1 1 11 11 CYS HB3 H . . . . . . . 4.82 . . . . . A . 33 ILE H . . A . 32 CYS HB3 . . . 33 ILE HN . . . . . 32 CYSS HB3 . . rr_1k3h 1 333 1 . . 1 1 12 12 ILE HA H . . . 1 1 11 11 CYS HB3 H . . . . . . . 5.50 . . . . . A . 33 ILE HA . . A . 32 CYS HB3 . . . 33 ILE HA . . . . . 32 CYSS HB3 . . rr_1k3h 1 334 1 . . 1 1 11 11 CYS HB3 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 9.67 . . . . . A . 32 CYS HB3 . . A . 40 LEU MD1 . . . 32 CYSS HB3 . . . . . 40 LEU QD1 . . rr_1k3h 1 335 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 11 11 CYS HB3 H . . . . . . . 9.67 . . . . . A . 40 LEU MD2 . . A . 32 CYS HB3 . . . 40 LEU QD2 . . . . . 32 CYSS HB3 . . rr_1k3h 1 336 1 OR . 1 1 15 15 HIS HD2 H . . . 1 1 11 11 CYS HB3 H . . . . . . . 3.88 . . . . . A . 36 HIS HD2 . . A . 32 CYS HB3 . . . 36 HEM HD2 . . . . . 32 CYSS QB . . rr_1k3h 1 336 2 OR . 1 1 11 11 CYS HB2 H . . . 1 1 15 15 HIS HD2 H . . . . . . . 3.88 . . . . . A . 32 CYS HB2 . . A . 36 HIS HD2 . . . 32 CYSS QB . . . . . 36 HEM HD2 . . rr_1k3h 1 337 1 OR . 1 1 11 11 CYS HB3 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 8.05 . . . . . A . 32 CYS HB3 . . A . 40 LEU MD1 . . . 32 CYSS QB . . . . . 40 LEU QQD . . rr_1k3h 1 337 2 OR . 1 1 11 11 CYS HB2 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 8.05 . . . . . A . 32 CYS HB2 . . A . 40 LEU MD1 . . . 32 CYSS QB . . . . . 40 LEU QQD . . rr_1k3h 1 337 3 OR . 1 1 19 19 LEU MD2 H . . . 1 1 11 11 CYS HB3 H . . . . . . . 8.05 . . . . . A . 40 LEU MD2 . . A . 32 CYS HB3 . . . 40 LEU QQD . . . . . 32 CYSS QB . . rr_1k3h 1 337 4 OR . 1 1 11 11 CYS HB2 H . . . 1 1 19 19 LEU MD2 H . . . . . . . 8.05 . . . . . A . 32 CYS HB2 . . A . 40 LEU MD2 . . . 32 CYSS QB . . . . . 40 LEU QQD . . rr_1k3h 1 338 1 . . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE MG H . . . . . . . 4.08 . . . . . A . 33 ILE H . . A . 33 ILE MG . . . 33 ILE HN . . . . . 33 ILE QG2 . . rr_1k3h 1 339 1 . . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HG12 H . . . . . . . 4.20 . . . . . A . 33 ILE H . . A . 33 ILE HG12 . . . 33 ILE HN . . . . . 33 ILE HG12 . . rr_1k3h 1 340 1 . . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HG13 H . . . . . . . 4.20 . . . . . A . 33 ILE H . . A . 33 ILE HG13 . . . 33 ILE HN . . . . . 33 ILE HG13 . . rr_1k3h 1 341 1 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HG13 H . . . . . . . 3.82 . . . . . A . 33 ILE H . . A . 33 ILE HG13 . . . 33 ILE HN . . . . . 33 ILE QG1 . . rr_1k3h 1 341 2 OR . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HG12 H . . . . . . . 3.82 . . . . . A . 33 ILE H . . A . 33 ILE HG12 . . . 33 ILE HN . . . . . 33 ILE QG1 . . rr_1k3h 1 342 1 . . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE MD H . . . . . . . 5.07 . . . . . A . 33 ILE H . . A . 33 ILE MD . . . 33 ILE HN . . . . . 33 ILE QD1 . . rr_1k3h 1 343 1 . . 1 1 12 12 ILE HA H . . . 1 1 14 14 CYS H H . . . . . . . 5.38 . . . . . A . 33 ILE HA . . A . 35 CYS H . . . 33 ILE HA . . . . . 35 CYSS HN . . rr_1k3h 1 344 1 . . 1 1 12 12 ILE HA H . . . 1 1 15 15 HIS H H . . . . . . . 5.16 . . . . . A . 33 ILE HA . . A . 36 HIS H . . . 33 ILE HA . . . . . 36 HEM HN . . rr_1k3h 1 345 1 . . 1 1 12 12 ILE HA H . . . 1 1 15 15 HIS HB2 H . . . . . . . 3.21 . . . . . A . 33 ILE HA . . A . 36 HIS HB2 . . . 33 ILE HA . . . . . 36 HEM HB2 . . rr_1k3h 1 346 1 . . 1 1 12 12 ILE HA H . . . 1 1 15 15 HIS HB3 H . . . . . . . 3.86 . . . . . A . 33 ILE HA . . A . 36 HIS HB3 . . . 33 ILE HA . . . . . 36 HEM HB3 . . rr_1k3h 1 347 1 . . 1 1 12 12 ILE HA H . . . 1 1 16 16 GLY H H . . . . . . . 3.64 . . . . . A . 33 ILE HA . . A . 37 GLY H . . . 33 ILE HA . . . . . 37 GLY HN . . rr_1k3h 1 348 1 OR . 1 1 12 12 ILE HA H . . . 1 1 19 19 LEU MD1 H . . . . . . . 6.49 . . . . . A . 33 ILE HA . . A . 40 LEU MD1 . . . 33 ILE HA . . . . . 40 LEU QQD . . rr_1k3h 1 348 2 OR . 1 1 19 19 LEU MD2 H . . . 1 1 12 12 ILE HA H . . . . . . . 6.49 . . . . . A . 40 LEU MD2 . . A . 33 ILE HA . . . 40 LEU QQD . . . . . 33 ILE HA . . rr_1k3h 1 349 1 . . 1 1 12 12 ILE MD H . . . 1 1 12 12 ILE HB H . . . . . . . 3.77 . . . . . A . 33 ILE MD . . A . 33 ILE HB . . . 33 ILE QD1 . . . . . 33 ILE HB . . rr_1k3h 1 350 1 . . 1 1 16 16 GLY H H . . . 1 1 12 12 ILE HB H . . . . . . . 4.60 . . . . . A . 37 GLY H . . A . 33 ILE HB . . . 37 GLY HN . . . . . 33 ILE HB . . rr_1k3h 1 351 1 . . 1 1 12 12 ILE HB H . . . 1 1 17 17 GLY H H . . . . . . . 5.31 . . . . . A . 33 ILE HB . . A . 38 GLY H . . . 33 ILE HB . . . . . 38 GLY HN . . rr_1k3h 1 352 1 . . 1 1 12 12 ILE HB H . . . 1 1 17 17 GLY HA2 H . . . . . . . 3.55 . . . . . A . 33 ILE HB . . A . 38 GLY HA2 . . . 33 ILE HB . . . . . 38 GLY HA1 . . rr_1k3h 1 353 1 . . 1 1 12 12 ILE HB H . . . 1 1 17 17 GLY HA3 H . . . . . . . 4.45 . . . . . A . 33 ILE HB . . A . 38 GLY HA3 . . . 33 ILE HB . . . . . 38 GLY HA2 . . rr_1k3h 1 354 1 . . 1 1 12 12 ILE HB H . . . 1 1 19 19 LEU H H . . . . . . . 5.50 . . . . . A . 33 ILE HB . . A . 40 LEU H . . . 33 ILE HB . . . . . 40 LEU HN . . rr_1k3h 1 355 1 . . 1 1 12 12 ILE MG H . . . 1 1 16 16 GLY H H . . . . . . . 6.40 . . . . . A . 33 ILE MG . . A . 37 GLY H . . . 33 ILE QG2 . . . . . 37 GLY HN . . rr_1k3h 1 356 1 . . 1 1 12 12 ILE MG H . . . 1 1 17 17 GLY H H . . . . . . . 6.28 . . . . . A . 33 ILE MG . . A . 38 GLY H . . . 33 ILE QG2 . . . . . 38 GLY HN . . rr_1k3h 1 357 1 . . 1 1 12 12 ILE MG H . . . 1 1 17 17 GLY HA2 H . . . . . . . 4.57 . . . . . A . 33 ILE MG . . A . 38 GLY HA2 . . . 33 ILE QG2 . . . . . 38 GLY HA1 . . rr_1k3h 1 358 1 . . 1 1 12 12 ILE MG H . . . 1 1 17 17 GLY HA3 H . . . . . . . 5.47 . . . . . A . 33 ILE MG . . A . 38 GLY HA3 . . . 33 ILE QG2 . . . . . 38 GLY HA2 . . rr_1k3h 1 359 1 . . 1 1 12 12 ILE MG H . . . 1 1 19 19 LEU H H . . . . . . . 5.44 . . . . . A . 33 ILE MG . . A . 40 LEU H . . . 33 ILE QG2 . . . . . 40 LEU HN . . rr_1k3h 1 360 1 OR . 1 1 13 13 SER HA H . . . 1 1 12 12 ILE HG13 H . . . . . . . 6.38 . . . . . A . 34 SER HA . . A . 33 ILE HG13 . . . 34 SER HA . . . . . 33 ILE QG1 . . rr_1k3h 1 360 2 OR . 1 1 12 12 ILE HG12 H . . . 1 1 13 13 SER HA H . . . . . . . 6.38 . . . . . A . 33 ILE HG12 . . A . 34 SER HA . . . 33 ILE QG1 . . . . . 34 SER HA . . rr_1k3h 1 361 1 . . 1 1 12 12 ILE MD H . . . 1 1 17 17 GLY H H . . . . . . . 6.28 . . . . . A . 33 ILE MD . . A . 38 GLY H . . . 33 ILE QD1 . . . . . 38 GLY HN . . rr_1k3h 1 362 1 . . 1 1 12 12 ILE MD H . . . 1 1 17 17 GLY HA2 H . . . . . . . 4.48 . . . . . A . 33 ILE MD . . A . 38 GLY HA2 . . . 33 ILE QD1 . . . . . 38 GLY HA1 . . rr_1k3h 1 363 1 . . 1 1 12 12 ILE MD H . . . 1 1 17 17 GLY HA3 H . . . . . . . 5.01 . . . . . A . 33 ILE MD . . A . 38 GLY HA3 . . . 33 ILE QD1 . . . . . 38 GLY HA2 . . rr_1k3h 1 364 1 . . 1 1 16 16 GLY H H . . . 1 1 13 13 SER HA H . . . . . . . 5.50 . . . . . A . 37 GLY H . . A . 34 SER HA . . . 37 GLY HN . . . . . 34 SER HA . . rr_1k3h 1 365 1 . . 1 1 14 14 CYS H H . . . 1 1 13 13 SER HB2 H . . . . . . . 5.50 . . . . . A . 35 CYS H . . A . 34 SER HB2 . . . 35 CYSS HN . . . . . 34 SER HB2 . . rr_1k3h 1 366 1 . . 1 1 14 14 CYS H H . . . 1 1 13 13 SER HB3 H . . . . . . . 5.50 . . . . . A . 35 CYS H . . A . 34 SER HB3 . . . 35 CYSS HN . . . . . 34 SER HB3 . . rr_1k3h 1 367 1 . . 1 1 14 14 CYS H H . . . 1 1 15 15 HIS H H . . . . . . . 4.14 . . . . . A . 35 CYS H . . A . 36 HIS H . . . 35 CYSS HN . . . . . 36 HEM HN . . rr_1k3h 1 368 1 . . 1 1 14 14 CYS H H . . . 1 1 16 16 GLY H H . . . . . . . 5.19 . . . . . A . 35 CYS H . . A . 37 GLY H . . . 35 CYSS HN . . . . . 37 GLY HN . . rr_1k3h 1 369 1 . . 1 1 24 24 ALA MB H . . . 1 1 14 14 CYS HB2 H . . . . . . . 5.32 . . . . . A . 45 ALA MB . . A . 35 CYS HB2 . . . 45 ALA QB . . . . . 35 CYSS HB2 . . rr_1k3h 1 370 1 . . 1 1 24 24 ALA MB H . . . 1 1 14 14 CYS HB3 H . . . . . . . 5.32 . . . . . A . 45 ALA MB . . A . 35 CYS HB3 . . . 45 ALA QB . . . . . 35 CYSS HB3 . . rr_1k3h 1 371 1 OR . 1 1 15 15 HIS H H . . . 1 1 14 14 CYS HB3 H . . . . . . . 6.19 . . . . . A . 36 HIS H . . A . 35 CYS HB3 . . . 36 HEM HN . . . . . 35 CYSS QB . . rr_1k3h 1 371 2 OR . 1 1 15 15 HIS H H . . . 1 1 14 14 CYS HB2 H . . . . . . . 6.19 . . . . . A . 36 HIS H . . A . 35 CYS HB2 . . . 36 HEM HN . . . . . 35 CYSS QB . . rr_1k3h 1 372 1 OR . 1 1 15 15 HIS HD2 H . . . 1 1 14 14 CYS HB3 H . . . . . . . 6.38 . . . . . A . 36 HIS HD2 . . A . 35 CYS HB3 . . . 36 HEM HD2 . . . . . 35 CYSS QB . . rr_1k3h 1 372 2 OR . 1 1 15 15 HIS HD2 H . . . 1 1 14 14 CYS HB2 H . . . . . . . 6.38 . . . . . A . 36 HIS HD2 . . A . 35 CYS HB2 . . . 36 HEM HD2 . . . . . 35 CYSS QB . . rr_1k3h 1 373 1 OR . 1 1 16 16 GLY H H . . . 1 1 14 14 CYS HB3 H . . . . . . . 5.98 . . . . . A . 37 GLY H . . A . 35 CYS HB3 . . . 37 GLY HN . . . . . 35 CYSS QB . . rr_1k3h 1 373 2 OR . 1 1 16 16 GLY H H . . . 1 1 14 14 CYS HB2 H . . . . . . . 5.98 . . . . . A . 37 GLY H . . A . 35 CYS HB2 . . . 37 GLY HN . . . . . 35 CYSS QB . . rr_1k3h 1 374 1 OR . 1 1 22 22 ALA MB H . . . 1 1 14 14 CYS HB3 H . . . . . . . 7.41 . . . . . A . 43 ALA MB . . A . 35 CYS HB3 . . . 43 ALA QB . . . . . 35 CYSS QB . . rr_1k3h 1 374 2 OR . 1 1 14 14 CYS HB2 H . . . 1 1 22 22 ALA MB H . . . . . . . 7.41 . . . . . A . 35 CYS HB2 . . A . 43 ALA MB . . . 35 CYSS QB . . . . . 43 ALA QB . . rr_1k3h 1 375 1 OR . 1 1 23 23 SER H H . . . 1 1 14 14 CYS HB3 H . . . . . . . 6.26 . . . . . A . 44 SER H . . A . 35 CYS HB3 . . . 44 SER HN . . . . . 35 CYSS QB . . rr_1k3h 1 375 2 OR . 1 1 14 14 CYS HB2 H . . . 1 1 23 23 SER H H . . . . . . . 6.26 . . . . . A . 35 CYS HB2 . . A . 44 SER H . . . 35 CYSS QB . . . . . 44 SER HN . . rr_1k3h 1 376 1 OR . 1 1 24 24 ALA H H . . . 1 1 14 14 CYS HB3 H . . . . . . . 6.38 . . . . . A . 45 ALA H . . A . 35 CYS HB3 . . . 45 ALA HN . . . . . 35 CYSS QB . . rr_1k3h 1 376 2 OR . 1 1 14 14 CYS HB2 H . . . 1 1 24 24 ALA H H . . . . . . . 6.38 . . . . . A . 35 CYS HB2 . . A . 45 ALA H . . . 35 CYSS QB . . . . . 45 ALA HN . . rr_1k3h 1 377 1 OR . 1 1 24 24 ALA MB H . . . 1 1 14 14 CYS HB3 H . . . . . . . 4.70 . . . . . A . 45 ALA MB . . A . 35 CYS HB3 . . . 45 ALA QB . . . . . 35 CYSS QB . . rr_1k3h 1 377 2 OR . 1 1 24 24 ALA MB H . . . 1 1 14 14 CYS HB2 H . . . . . . . 4.70 . . . . . A . 45 ALA MB . . A . 35 CYS HB2 . . . 45 ALA QB . . . . . 35 CYSS QB . . rr_1k3h 1 378 1 . . 1 1 15 15 HIS H H . . . 1 1 16 16 GLY H H . . . . . . . 3.73 . . . . . A . 36 HIS H . . A . 37 GLY H . . . 36 HEM HN . . . . . 37 GLY HN . . rr_1k3h 1 379 1 . . 1 1 15 15 HIS HB3 H . . . 1 1 15 15 HIS HA H . . . . . . . 2.74 . . . . . A . 36 HIS HB3 . . A . 36 HIS HA . . . 36 HEM HB3 . . . . . 36 HEM HA . . rr_1k3h 1 380 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HA H . . . . . . . 5.50 . . . . . A . 36 HIS HD2 . . A . 36 HIS HA . . . 36 HEM HD2 . . . . . 36 HEM HA . . rr_1k3h 1 381 1 . . 1 1 15 15 HIS HA H . . . 1 1 19 19 LEU HA H . . . . . . . 5.50 . . . . . A . 36 HIS HA . . A . 40 LEU HA . . . 36 HEM HA . . . . . 40 LEU HA . . rr_1k3h 1 382 1 . . 1 1 15 15 HIS HA H . . . 1 1 21 21 GLY HA2 H . . . . . . . 3.27 . . . . . A . 36 HIS HA . . A . 42 GLY HA2 . . . 36 HEM HA . . . . . 42 GLY HA1 . . rr_1k3h 1 383 1 . . 1 1 15 15 HIS HA H . . . 1 1 21 21 GLY HA3 H . . . . . . . 4.35 . . . . . A . 36 HIS HA . . A . 42 GLY HA3 . . . 36 HEM HA . . . . . 42 GLY HA2 . . rr_1k3h 1 384 1 . . 1 1 15 15 HIS HA H . . . 1 1 22 22 ALA H H . . . . . . . 4.14 . . . . . A . 36 HIS HA . . A . 43 ALA H . . . 36 HEM HA . . . . . 43 ALA HN . . rr_1k3h 1 385 1 . . 1 1 22 22 ALA MB H . . . 1 1 15 15 HIS HA H . . . . . . . 6.53 . . . . . A . 43 ALA MB . . A . 36 HIS HA . . . 43 ALA QB . . . . . 36 HEM HA . . rr_1k3h 1 386 1 . . 1 1 24 24 ALA H H . . . 1 1 15 15 HIS HA H . . . . . . . 4.94 . . . . . A . 45 ALA H . . A . 36 HIS HA . . . 45 ALA HN . . . . . 36 HEM HA . . rr_1k3h 1 387 1 . . 1 1 24 24 ALA MB H . . . 1 1 15 15 HIS HA H . . . . . . . 5.26 . . . . . A . 45 ALA MB . . A . 36 HIS HA . . . 45 ALA QB . . . . . 36 HEM HA . . rr_1k3h 1 388 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 16 16 GLY H H . . . . . . . 4.76 . . . . . A . 36 HIS HB2 . . A . 37 GLY H . . . 36 HEM HB2 . . . . . 37 GLY HN . . rr_1k3h 1 389 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 19 19 LEU HA H . . . . . . . 3.86 . . . . . A . 36 HIS HB2 . . A . 40 LEU HA . . . 36 HEM HB2 . . . . . 40 LEU HA . . rr_1k3h 1 390 1 OR . 1 1 15 15 HIS HB2 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 5.74 . . . . . A . 36 HIS HB2 . . A . 40 LEU MD1 . . . 36 HEM HB2 . . . . . 40 LEU QQD . . rr_1k3h 1 390 2 OR . 1 1 19 19 LEU MD2 H . . . 1 1 15 15 HIS HB2 H . . . . . . . 5.74 . . . . . A . 40 LEU MD2 . . A . 36 HIS HB2 . . . 40 LEU QQD . . . . . 36 HEM HB2 . . rr_1k3h 1 391 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 27 27 ILE MG H . . . . . . . 6.53 . . . . . A . 36 HIS HB2 . . A . 48 ILE MG . . . 36 HEM HB2 . . . . . 48 ILE QG2 . . rr_1k3h 1 392 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 27 27 ILE HG12 H . . . . . . . 5.50 . . . . . A . 36 HIS HB2 . . A . 48 ILE HG12 . . . 36 HEM HB2 . . . . . 48 ILE HG12 . . rr_1k3h 1 393 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 5.50 . . . . . A . 36 HIS HB2 . . A . 48 ILE HG13 . . . 36 HEM HB2 . . . . . 48 ILE HG13 . . rr_1k3h 1 394 1 OR . 1 1 15 15 HIS HB2 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 4.95 . . . . . A . 36 HIS HB2 . . A . 48 ILE HG13 . . . 36 HEM HB2 . . . . . 48 ILE QG1 . . rr_1k3h 1 394 2 OR . 1 1 15 15 HIS HB2 H . . . 1 1 27 27 ILE HG12 H . . . . . . . 4.95 . . . . . A . 36 HIS HB2 . . A . 48 ILE HG12 . . . 36 HEM HB2 . . . . . 48 ILE QG1 . . rr_1k3h 1 395 1 . . 1 1 27 27 ILE MD H . . . 1 1 15 15 HIS HB2 H . . . . . . . 5.54 . . . . . A . 48 ILE MD . . A . 36 HIS HB2 . . . 48 ILE QD1 . . . . . 36 HEM HB2 . . rr_1k3h 1 396 1 . . 1 1 15 15 HIS HB3 H . . . 1 1 19 19 LEU HA H . . . . . . . 3.11 . . . . . A . 36 HIS HB3 . . A . 40 LEU HA . . . 36 HEM HB3 . . . . . 40 LEU HA . . rr_1k3h 1 397 1 OR . 1 1 15 15 HIS HB3 H . . . 1 1 19 19 LEU HB3 H . . . . . . . 6.38 . . . . . A . 36 HIS HB3 . . A . 40 LEU HB3 . . . 36 HEM HB3 . . . . . 40 LEU QB . . rr_1k3h 1 397 2 OR . 1 1 15 15 HIS HB3 H . . . 1 1 19 19 LEU HB2 H . . . . . . . 6.38 . . . . . A . 36 HIS HB3 . . A . 40 LEU HB2 . . . 36 HEM HB3 . . . . . 40 LEU QB . . rr_1k3h 1 398 1 OR . 1 1 15 15 HIS HB3 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 5.93 . . . . . A . 36 HIS HB3 . . A . 40 LEU MD1 . . . 36 HEM HB3 . . . . . 40 LEU QQD . . rr_1k3h 1 398 2 OR . 1 1 19 19 LEU MD2 H . . . 1 1 15 15 HIS HB3 H . . . . . . . 5.93 . . . . . A . 40 LEU MD2 . . A . 36 HIS HB3 . . . 40 LEU QQD . . . . . 36 HEM HB3 . . rr_1k3h 1 399 1 . . 1 1 15 15 HIS HB3 H . . . 1 1 27 27 ILE MG H . . . . . . . 6.53 . . . . . A . 36 HIS HB3 . . A . 48 ILE MG . . . 36 HEM HB3 . . . . . 48 ILE QG2 . . rr_1k3h 1 400 1 . . 1 1 15 15 HIS HB3 H . . . 1 1 27 27 ILE HG12 H . . . . . . . 4.45 . . . . . A . 36 HIS HB3 . . A . 48 ILE HG12 . . . 36 HEM HB3 . . . . . 48 ILE HG12 . . rr_1k3h 1 401 1 . . 1 1 15 15 HIS HB3 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 4.45 . . . . . A . 36 HIS HB3 . . A . 48 ILE HG13 . . . 36 HEM HB3 . . . . . 48 ILE HG13 . . rr_1k3h 1 402 1 OR . 1 1 15 15 HIS HB3 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 3.96 . . . . . A . 36 HIS HB3 . . A . 48 ILE HG13 . . . 36 HEM HB3 . . . . . 48 ILE QG1 . . rr_1k3h 1 402 2 OR . 1 1 15 15 HIS HB3 H . . . 1 1 27 27 ILE HG12 H . . . . . . . 3.96 . . . . . A . 36 HIS HB3 . . A . 48 ILE HG12 . . . 36 HEM HB3 . . . . . 48 ILE QG1 . . rr_1k3h 1 403 1 . . 1 1 27 27 ILE MD H . . . 1 1 15 15 HIS HB3 H . . . . . . . 5.32 . . . . . A . 48 ILE MD . . A . 36 HIS HB3 . . . 48 ILE QD1 . . . . . 36 HEM HB3 . . rr_1k3h 1 404 1 . . 1 1 27 27 ILE MD H . . . 1 1 15 15 HIS HD2 H . . . . . . . 6.50 . . . . . A . 48 ILE MD . . A . 36 HIS HD2 . . . 48 ILE QD1 . . . . . 36 HEM HD2 . . rr_1k3h 1 405 1 . . 1 1 24 24 ALA MB H . . . 1 1 15 15 HIS HE1 H . . . . . . . 6.50 . . . . . A . 45 ALA MB . . A . 36 HIS HE1 . . . 45 ALA QB . . . . . 36 HEM HE1 . . rr_1k3h 1 406 1 OR . 1 1 15 15 HIS HE1 H . . . 1 1 25 25 PRO HD3 H . . . . . . . 6.38 . . . . . A . 36 HIS HE1 . . A . 46 PRO HD3 . . . 36 HEM HE1 . . . . . 46 PRO QD . . rr_1k3h 1 406 2 OR . 1 1 15 15 HIS HE1 H . . . 1 1 25 25 PRO HD2 H . . . . . . . 6.38 . . . . . A . 36 HIS HE1 . . A . 46 PRO HD2 . . . 36 HEM HE1 . . . . . 46 PRO QD . . rr_1k3h 1 407 1 . . 1 1 27 27 ILE MG H . . . 1 1 15 15 HIS HE1 H . . . . . . . 6.50 . . . . . A . 48 ILE MG . . A . 36 HIS HE1 . . . 48 ILE QG2 . . . . . 36 HEM HE1 . . rr_1k3h 1 408 1 . . 1 1 27 27 ILE MD H . . . 1 1 15 15 HIS HE1 H . . . . . . . 6.50 . . . . . A . 48 ILE MD . . A . 36 HIS HE1 . . . 48 ILE QD1 . . . . . 36 HEM HE1 . . rr_1k3h 1 409 1 . . 1 1 16 16 GLY H H . . . 1 1 17 17 GLY H H . . . . . . . 4.45 . . . . . A . 37 GLY H . . A . 38 GLY H . . . 37 GLY HN . . . . . 38 GLY HN . . rr_1k3h 1 410 1 . . 1 1 16 16 GLY H H . . . 1 1 22 22 ALA MB H . . . . . . . 4.57 . . . . . A . 37 GLY H . . A . 43 ALA MB . . . 37 GLY HN . . . . . 43 ALA QB . . rr_1k3h 1 411 1 . . 1 1 17 17 GLY H H . . . 1 1 16 16 GLY HA2 H . . . . . . . 3.52 . . . . . A . 38 GLY H . . A . 37 GLY HA2 . . . 38 GLY HN . . . . . 37 GLY HA1 . . rr_1k3h 1 412 1 . . 1 1 22 22 ALA MB H . . . 1 1 16 16 GLY HA2 H . . . . . . . 4.88 . . . . . A . 43 ALA MB . . A . 37 GLY HA2 . . . 43 ALA QB . . . . . 37 GLY HA1 . . rr_1k3h 1 413 1 . . 1 1 17 17 GLY H H . . . 1 1 16 16 GLY HA3 H . . . . . . . 3.52 . . . . . A . 38 GLY H . . A . 37 GLY HA3 . . . 38 GLY HN . . . . . 37 GLY HA2 . . rr_1k3h 1 414 1 . . 1 1 22 22 ALA MB H . . . 1 1 16 16 GLY HA3 H . . . . . . . 4.88 . . . . . A . 43 ALA MB . . A . 37 GLY HA3 . . . 43 ALA QB . . . . . 37 GLY HA2 . . rr_1k3h 1 415 1 OR . 1 1 18 18 ASP H H . . . 1 1 16 16 GLY HA3 H . . . . . . . 5.45 . . . . . A . 39 ASP H . . A . 37 GLY HA3 . . . 39 ASP- HN . . . . . 37 GLY QA . . rr_1k3h 1 415 2 OR . 1 1 16 16 GLY HA2 H . . . 1 1 18 18 ASP H H . . . . . . . 5.45 . . . . . A . 37 GLY HA2 . . A . 39 ASP H . . . 37 GLY QA . . . . . 39 ASP- HN . . rr_1k3h 1 416 1 OR . 1 1 19 19 LEU H H . . . 1 1 16 16 GLY HA3 H . . . . . . . 5.76 . . . . . A . 40 LEU H . . A . 37 GLY HA3 . . . 40 LEU HN . . . . . 37 GLY QA . . rr_1k3h 1 416 2 OR . 1 1 19 19 LEU H H . . . 1 1 16 16 GLY HA2 H . . . . . . . 5.76 . . . . . A . 40 LEU H . . A . 37 GLY HA2 . . . 40 LEU HN . . . . . 37 GLY QA . . rr_1k3h 1 417 1 OR . 1 1 20 20 THR H H . . . 1 1 16 16 GLY HA3 H . . . . . . . 5.88 . . . . . A . 41 THR H . . A . 37 GLY HA3 . . . 41 THR HN . . . . . 37 GLY QA . . rr_1k3h 1 417 2 OR . 1 1 16 16 GLY HA2 H . . . 1 1 20 20 THR H H . . . . . . . 5.88 . . . . . A . 37 GLY HA2 . . A . 41 THR H . . . 37 GLY QA . . . . . 41 THR HN . . rr_1k3h 1 418 1 OR . 1 1 21 21 GLY H H . . . 1 1 16 16 GLY HA3 H . . . . . . . 5.05 . . . . . A . 42 GLY H . . A . 37 GLY HA3 . . . 42 GLY HN . . . . . 37 GLY QA . . rr_1k3h 1 418 2 OR . 1 1 16 16 GLY HA2 H . . . 1 1 21 21 GLY H H . . . . . . . 5.05 . . . . . A . 37 GLY HA2 . . A . 42 GLY H . . . 37 GLY QA . . . . . 42 GLY HN . . rr_1k3h 1 419 1 . . 1 1 17 17 GLY H H . . . 1 1 18 18 ASP H H . . . . . . . 4.01 . . . . . A . 38 GLY H . . A . 39 ASP H . . . 38 GLY HN . . . . . 39 ASP- HN . . rr_1k3h 1 420 1 . . 1 1 17 17 GLY H H . . . 1 1 19 19 LEU H H . . . . . . . 5.10 . . . . . A . 38 GLY H . . A . 40 LEU H . . . 38 GLY HN . . . . . 40 LEU HN . . rr_1k3h 1 421 1 . . 1 1 17 17 GLY H H . . . 1 1 22 22 ALA MB H . . . . . . . 6.37 . . . . . A . 38 GLY H . . A . 43 ALA MB . . . 38 GLY HN . . . . . 43 ALA QB . . rr_1k3h 1 422 1 . . 1 1 19 19 LEU H H . . . 1 1 18 18 ASP H H . . . . . . . 3.45 . . . . . A . 40 LEU H . . A . 39 ASP H . . . 40 LEU HN . . . . . 39 ASP- HN . . rr_1k3h 1 423 1 . . 1 1 19 19 LEU HA H . . . 1 1 18 18 ASP H H . . . . . . . 4.69 . . . . . A . 40 LEU HA . . A . 39 ASP H . . . 40 LEU HA . . . . . 39 ASP- HN . . rr_1k3h 1 424 1 . . 1 1 18 18 ASP H H . . . 1 1 20 20 THR H H . . . . . . . 4.79 . . . . . A . 39 ASP H . . A . 41 THR H . . . 39 ASP- HN . . . . . 41 THR HN . . rr_1k3h 1 425 1 . . 1 1 19 19 LEU HG H . . . 1 1 18 18 ASP HA H . . . . . . . 5.50 . . . . . A . 40 LEU HG . . A . 39 ASP HA . . . 40 LEU HG . . . . . 39 ASP- HA . . rr_1k3h 1 426 1 OR . 1 1 18 18 ASP HA H . . . 1 1 19 19 LEU MD1 H . . . . . . . 8.10 . . . . . A . 39 ASP HA . . A . 40 LEU MD1 . . . 39 ASP- HA . . . . . 40 LEU QQD . . rr_1k3h 1 426 2 OR . 1 1 19 19 LEU MD2 H . . . 1 1 18 18 ASP HA H . . . . . . . 8.10 . . . . . A . 40 LEU MD2 . . A . 39 ASP HA . . . 40 LEU QQD . . . . . 39 ASP- HA . . rr_1k3h 1 427 1 . . 1 1 20 20 THR H H . . . 1 1 18 18 ASP HA H . . . . . . . 5.50 . . . . . A . 41 THR H . . A . 39 ASP HA . . . 41 THR HN . . . . . 39 ASP- HA . . rr_1k3h 1 428 1 . . 1 1 20 20 THR H H . . . 1 1 18 18 ASP HB2 H . . . . . . . 5.50 . . . . . A . 41 THR H . . A . 39 ASP HB2 . . . 41 THR HN . . . . . 39 ASP- HB2 . . rr_1k3h 1 429 1 . . 1 1 18 18 ASP HB2 H . . . 1 1 20 20 THR MG H . . . . . . . 5.66 . . . . . A . 39 ASP HB2 . . A . 41 THR MG . . . 39 ASP- HB2 . . . . . 41 THR QG2 . . rr_1k3h 1 430 1 . . 1 1 20 20 THR H H . . . 1 1 18 18 ASP HB3 H . . . . . . . 5.50 . . . . . A . 41 THR H . . A . 39 ASP HB3 . . . 41 THR HN . . . . . 39 ASP- HB3 . . rr_1k3h 1 431 1 . . 1 1 20 20 THR MG H . . . 1 1 18 18 ASP HB3 H . . . . . . . 5.66 . . . . . A . 41 THR MG . . A . 39 ASP HB3 . . . 41 THR QG2 . . . . . 39 ASP- HB3 . . rr_1k3h 1 432 1 . . 1 1 19 19 LEU HG H . . . 1 1 19 19 LEU H H . . . . . . . 4.42 . . . . . A . 40 LEU HG . . A . 40 LEU H . . . 40 LEU HG . . . . . 40 LEU HN . . rr_1k3h 1 433 1 . . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU MD1 H . . . . . . . 5.72 . . . . . A . 40 LEU H . . A . 40 LEU MD1 . . . 40 LEU HN . . . . . 40 LEU QD1 . . rr_1k3h 1 434 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 19 19 LEU H H . . . . . . . 5.72 . . . . . A . 40 LEU MD2 . . A . 40 LEU H . . . 40 LEU QD2 . . . . . 40 LEU HN . . rr_1k3h 1 435 1 OR . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU MD1 H . . . . . . . 4.89 . . . . . A . 40 LEU H . . A . 40 LEU MD1 . . . 40 LEU HN . . . . . 40 LEU QQD . . rr_1k3h 1 435 2 OR . 1 1 19 19 LEU MD2 H . . . 1 1 19 19 LEU H H . . . . . . . 4.89 . . . . . A . 40 LEU MD2 . . A . 40 LEU H . . . 40 LEU QQD . . . . . 40 LEU HN . . rr_1k3h 1 436 1 . . 1 1 19 19 LEU H H . . . 1 1 20 20 THR H H . . . . . . . 4.04 . . . . . A . 40 LEU H . . A . 41 THR H . . . 40 LEU HN . . . . . 41 THR HN . . rr_1k3h 1 437 1 . . 1 1 19 19 LEU H H . . . 1 1 20 20 THR MG H . . . . . . . 6.53 . . . . . A . 40 LEU H . . A . 41 THR MG . . . 40 LEU HN . . . . . 41 THR QG2 . . rr_1k3h 1 438 1 . . 1 1 19 19 LEU H H . . . 1 1 21 21 GLY H H . . . . . . . 4.48 . . . . . A . 40 LEU H . . A . 42 GLY H . . . 40 LEU HN . . . . . 42 GLY HN . . rr_1k3h 1 439 1 . . 1 1 19 19 LEU HA H . . . 1 1 19 19 LEU MD1 H . . . . . . . 5.60 . . . . . A . 40 LEU HA . . A . 40 LEU MD1 . . . 40 LEU HA . . . . . 40 LEU QD1 . . rr_1k3h 1 440 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 19 19 LEU HA H . . . . . . . 5.60 . . . . . A . 40 LEU MD2 . . A . 40 LEU HA . . . 40 LEU QD2 . . . . . 40 LEU HA . . rr_1k3h 1 441 1 . . 1 1 19 19 LEU HA H . . . 1 1 20 20 THR MG H . . . . . . . 6.47 . . . . . A . 40 LEU HA . . A . 41 THR MG . . . 40 LEU HA . . . . . 41 THR QG2 . . rr_1k3h 1 442 1 . . 1 1 19 19 LEU HA H . . . 1 1 27 27 ILE H H . . . . . . . 4.94 . . . . . A . 40 LEU HA . . A . 48 ILE H . . . 40 LEU HA . . . . . 48 ILE HN . . rr_1k3h 1 443 1 OR . 1 1 19 19 LEU HA H . . . 1 1 27 27 ILE HG13 H . . . . . . . 6.38 . . . . . A . 40 LEU HA . . A . 48 ILE HG13 . . . 40 LEU HA . . . . . 48 ILE QG1 . . rr_1k3h 1 443 2 OR . 1 1 19 19 LEU HA H . . . 1 1 27 27 ILE HG12 H . . . . . . . 6.38 . . . . . A . 40 LEU HA . . A . 48 ILE HG12 . . . 40 LEU HA . . . . . 48 ILE QG1 . . rr_1k3h 1 444 1 . . 1 1 27 27 ILE MD H . . . 1 1 19 19 LEU HA H . . . . . . . 6.53 . . . . . A . 48 ILE MD . . A . 40 LEU HA . . . 48 ILE QD1 . . . . . 40 LEU HA . . rr_1k3h 1 445 1 OR . 1 1 19 19 LEU HA H . . . 1 1 28 28 ASP HB3 H . . . . . . . 6.38 . . . . . A . 40 LEU HA . . A . 49 ASP HB3 . . . 40 LEU HA . . . . . 49 ASP- QB . . rr_1k3h 1 445 2 OR . 1 1 19 19 LEU HA H . . . 1 1 28 28 ASP HB2 H . . . . . . . 6.38 . . . . . A . 40 LEU HA . . A . 49 ASP HB2 . . . 40 LEU HA . . . . . 49 ASP- QB . . rr_1k3h 1 446 1 . . 1 1 19 19 LEU HB2 H . . . 1 1 20 20 THR H H . . . . . . . 5.50 . . . . . A . 40 LEU HB2 . . A . 41 THR H . . . 40 LEU HB2 . . . . . 41 THR HN . . rr_1k3h 1 447 1 . . 1 1 19 19 LEU HB2 H . . . 1 1 27 27 ILE H H . . . . . . . 5.50 . . . . . A . 40 LEU HB2 . . A . 48 ILE H . . . 40 LEU HB2 . . . . . 48 ILE HN . . rr_1k3h 1 448 1 . . 1 1 27 27 ILE HG12 H . . . 1 1 19 19 LEU HB2 H . . . . . . . 5.50 . . . . . A . 48 ILE HG12 . . A . 40 LEU HB2 . . . 48 ILE HG12 . . . . . 40 LEU HB2 . . rr_1k3h 1 449 1 . . 1 1 19 19 LEU HB2 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 5.50 . . . . . A . 40 LEU HB2 . . A . 48 ILE HG13 . . . 40 LEU HB2 . . . . . 48 ILE HG13 . . rr_1k3h 1 450 1 . . 1 1 27 27 ILE MD H . . . 1 1 19 19 LEU HB2 H . . . . . . . 6.53 . . . . . A . 48 ILE MD . . A . 40 LEU HB2 . . . 48 ILE QD1 . . . . . 40 LEU HB2 . . rr_1k3h 1 451 1 . . 1 1 20 20 THR H H . . . 1 1 19 19 LEU HB3 H . . . . . . . 5.50 . . . . . A . 41 THR H . . A . 40 LEU HB3 . . . 41 THR HN . . . . . 40 LEU HB3 . . rr_1k3h 1 452 1 . . 1 1 27 27 ILE H H . . . 1 1 19 19 LEU HB3 H . . . . . . . 5.50 . . . . . A . 48 ILE H . . A . 40 LEU HB3 . . . 48 ILE HN . . . . . 40 LEU HB3 . . rr_1k3h 1 453 1 . . 1 1 27 27 ILE HG12 H . . . 1 1 19 19 LEU HB3 H . . . . . . . 5.50 . . . . . A . 48 ILE HG12 . . A . 40 LEU HB3 . . . 48 ILE HG12 . . . . . 40 LEU HB3 . . rr_1k3h 1 454 1 . . 1 1 19 19 LEU HB3 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 5.50 . . . . . A . 40 LEU HB3 . . A . 48 ILE HG13 . . . 40 LEU HB3 . . . . . 48 ILE HG13 . . rr_1k3h 1 455 1 . . 1 1 27 27 ILE MD H . . . 1 1 19 19 LEU HB3 H . . . . . . . 6.53 . . . . . A . 48 ILE MD . . A . 40 LEU HB3 . . . 48 ILE QD1 . . . . . 40 LEU HB3 . . rr_1k3h 1 456 1 OR . 1 1 20 20 THR H H . . . 1 1 19 19 LEU HB3 H . . . . . . . 5.35 . . . . . A . 41 THR H . . A . 40 LEU HB3 . . . 41 THR HN . . . . . 40 LEU QB . . rr_1k3h 1 456 2 OR . 1 1 19 19 LEU HB2 H . . . 1 1 20 20 THR H H . . . . . . . 5.35 . . . . . A . 40 LEU HB2 . . A . 41 THR H . . . 40 LEU QB . . . . . 41 THR HN . . rr_1k3h 1 457 1 OR . 1 1 26 26 ALA HA H . . . 1 1 19 19 LEU HB3 H . . . . . . . 6.38 . . . . . A . 47 ALA HA . . A . 40 LEU HB3 . . . 47 ALA HA . . . . . 40 LEU QB . . rr_1k3h 1 457 2 OR . 1 1 19 19 LEU HB2 H . . . 1 1 26 26 ALA HA H . . . . . . . 6.38 . . . . . A . 40 LEU HB2 . . A . 47 ALA HA . . . 40 LEU QB . . . . . 47 ALA HA . . rr_1k3h 1 458 1 OR . 1 1 27 27 ILE H H . . . 1 1 19 19 LEU HB3 H . . . . . . . 5.18 . . . . . A . 48 ILE H . . A . 40 LEU HB3 . . . 48 ILE HN . . . . . 40 LEU QB . . rr_1k3h 1 458 2 OR . 1 1 19 19 LEU HB2 H . . . 1 1 27 27 ILE H H . . . . . . . 5.18 . . . . . A . 40 LEU HB2 . . A . 48 ILE H . . . 40 LEU QB . . . . . 48 ILE HN . . rr_1k3h 1 459 1 OR . 1 1 19 19 LEU HB2 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 4.63 . . . . . A . 40 LEU HB2 . . A . 48 ILE HG13 . . . 40 LEU QB . . . . . 48 ILE QG1 . . rr_1k3h 1 459 2 OR . 1 1 19 19 LEU HB3 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 4.63 . . . . . A . 40 LEU HB3 . . A . 48 ILE HG13 . . . 40 LEU QB . . . . . 48 ILE QG1 . . rr_1k3h 1 459 3 OR . 1 1 27 27 ILE HG12 H . . . 1 1 19 19 LEU HB3 H . . . . . . . 4.63 . . . . . A . 48 ILE HG12 . . A . 40 LEU HB3 . . . 48 ILE QG1 . . . . . 40 LEU QB . . rr_1k3h 1 459 4 OR . 1 1 27 27 ILE HG12 H . . . 1 1 19 19 LEU HB2 H . . . . . . . 4.63 . . . . . A . 48 ILE HG12 . . A . 40 LEU HB2 . . . 48 ILE QG1 . . . . . 40 LEU QB . . rr_1k3h 1 460 1 OR . 1 1 28 28 ASP H H . . . 1 1 19 19 LEU HB3 H . . . . . . . 6.04 . . . . . A . 49 ASP H . . A . 40 LEU HB3 . . . 49 ASP- HN . . . . . 40 LEU QB . . rr_1k3h 1 460 2 OR . 1 1 19 19 LEU HB2 H . . . 1 1 28 28 ASP H H . . . . . . . 6.04 . . . . . A . 40 LEU HB2 . . A . 49 ASP H . . . 40 LEU QB . . . . . 49 ASP- HN . . rr_1k3h 1 461 1 OR . 1 1 28 28 ASP HA H . . . 1 1 19 19 LEU HB3 H . . . . . . . 5.76 . . . . . A . 49 ASP HA . . A . 40 LEU HB3 . . . 49 ASP- HA . . . . . 40 LEU QB . . rr_1k3h 1 461 2 OR . 1 1 19 19 LEU HB2 H . . . 1 1 28 28 ASP HA H . . . . . . . 5.76 . . . . . A . 40 LEU HB2 . . A . 49 ASP HA . . . 40 LEU QB . . . . . 49 ASP- HA . . rr_1k3h 1 462 1 OR . 1 1 19 19 LEU HB2 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 8.98 . . . . . A . 40 LEU HB2 . . A . 88 LEU MD1 . . . 40 LEU QB . . . . . 88 LEU QQD . . rr_1k3h 1 462 2 OR . 1 1 19 19 LEU HB3 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 8.98 . . . . . A . 40 LEU HB3 . . A . 88 LEU MD1 . . . 40 LEU QB . . . . . 88 LEU QQD . . rr_1k3h 1 462 3 OR . 1 1 67 67 LEU MD2 H . . . 1 1 19 19 LEU HB3 H . . . . . . . 8.98 . . . . . A . 88 LEU MD2 . . A . 40 LEU HB3 . . . 88 LEU QQD . . . . . 40 LEU QB . . rr_1k3h 1 462 4 OR . 1 1 19 19 LEU HB2 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 8.98 . . . . . A . 40 LEU HB2 . . A . 88 LEU MD2 . . . 40 LEU QB . . . . . 88 LEU QQD . . rr_1k3h 1 463 1 . . 1 1 27 27 ILE HG12 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 6.85 . . . . . A . 48 ILE HG12 . . A . 40 LEU MD1 . . . 48 ILE HG12 . . . . . 40 LEU QD1 . . rr_1k3h 1 464 1 . . 1 1 19 19 LEU MD1 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 6.85 . . . . . A . 40 LEU MD1 . . A . 48 ILE HG13 . . . 40 LEU QD1 . . . . . 48 ILE HG13 . . rr_1k3h 1 465 1 . . 1 1 27 27 ILE MD H . . . 1 1 19 19 LEU MD1 H . . . . . . . 7.56 . . . . . A . 48 ILE MD . . A . 40 LEU MD1 . . . 48 ILE QD1 . . . . . 40 LEU QD1 . . rr_1k3h 1 466 1 . . 1 1 66 66 TRP HZ3 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 6.53 . . . . . A . 87 TRP HZ3 . . A . 40 LEU MD1 . . . 87 TRP HZ3 . . . . . 40 LEU QD1 . . rr_1k3h 1 467 1 . . 1 1 66 66 TRP HH2 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 6.53 . . . . . A . 87 TRP HH2 . . A . 40 LEU MD1 . . . 87 TRP HH2 . . . . . 40 LEU QD1 . . rr_1k3h 1 468 1 . . 1 1 19 19 LEU MD1 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 9.30 . . . . . A . 40 LEU MD1 . . A . 88 LEU MD1 . . . 40 LEU QD1 . . . . . 88 LEU QD1 . . rr_1k3h 1 469 1 . . 1 1 67 67 LEU MD2 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 9.30 . . . . . A . 88 LEU MD2 . . A . 40 LEU MD1 . . . 88 LEU QD2 . . . . . 40 LEU QD1 . . rr_1k3h 1 470 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 27 27 ILE HG12 H . . . . . . . 6.85 . . . . . A . 40 LEU MD2 . . A . 48 ILE HG12 . . . 40 LEU QD2 . . . . . 48 ILE HG12 . . rr_1k3h 1 471 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 6.85 . . . . . A . 40 LEU MD2 . . A . 48 ILE HG13 . . . 40 LEU QD2 . . . . . 48 ILE HG13 . . rr_1k3h 1 472 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 27 27 ILE MD H . . . . . . . 7.56 . . . . . A . 40 LEU MD2 . . A . 48 ILE MD . . . 40 LEU QD2 . . . . . 48 ILE QD1 . . rr_1k3h 1 473 1 . . 1 1 66 66 TRP HZ3 H . . . 1 1 19 19 LEU MD2 H . . . . . . . 6.53 . . . . . A . 87 TRP HZ3 . . A . 40 LEU MD2 . . . 87 TRP HZ3 . . . . . 40 LEU QD2 . . rr_1k3h 1 474 1 . . 1 1 66 66 TRP HH2 H . . . 1 1 19 19 LEU MD2 H . . . . . . . 6.53 . . . . . A . 87 TRP HH2 . . A . 40 LEU MD2 . . . 87 TRP HH2 . . . . . 40 LEU QD2 . . rr_1k3h 1 475 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 9.30 . . . . . A . 40 LEU MD2 . . A . 88 LEU MD1 . . . 40 LEU QD2 . . . . . 88 LEU QD1 . . rr_1k3h 1 476 1 . . 1 1 19 19 LEU MD2 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 9.30 . . . . . A . 40 LEU MD2 . . A . 88 LEU MD2 . . . 40 LEU QD2 . . . . . 88 LEU QD2 . . rr_1k3h 1 477 1 OR . 1 1 19 19 LEU MD2 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 5.93 . . . . . A . 40 LEU MD2 . . A . 48 ILE HG13 . . . 40 LEU QQD . . . . . 48 ILE QG1 . . rr_1k3h 1 477 2 OR . 1 1 19 19 LEU MD1 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 5.93 . . . . . A . 40 LEU MD1 . . A . 48 ILE HG13 . . . 40 LEU QQD . . . . . 48 ILE QG1 . . rr_1k3h 1 477 3 OR . 1 1 27 27 ILE HG12 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 5.93 . . . . . A . 48 ILE HG12 . . A . 40 LEU MD1 . . . 48 ILE QG1 . . . . . 40 LEU QQD . . rr_1k3h 1 477 4 OR . 1 1 19 19 LEU MD2 H . . . 1 1 27 27 ILE HG12 H . . . . . . . 5.93 . . . . . A . 40 LEU MD2 . . A . 48 ILE HG12 . . . 40 LEU QQD . . . . . 48 ILE QG1 . . rr_1k3h 1 478 1 OR . 1 1 27 27 ILE MD H . . . 1 1 19 19 LEU MD1 H . . . . . . . 6.82 . . . . . A . 48 ILE MD . . A . 40 LEU MD1 . . . 48 ILE QD1 . . . . . 40 LEU QQD . . rr_1k3h 1 478 2 OR . 1 1 19 19 LEU MD2 H . . . 1 1 27 27 ILE MD H . . . . . . . 6.82 . . . . . A . 40 LEU MD2 . . A . 48 ILE MD . . . 40 LEU QQD . . . . . 48 ILE QD1 . . rr_1k3h 1 479 1 OR . 1 1 28 28 ASP H H . . . 1 1 19 19 LEU MD1 H . . . . . . . 7.88 . . . . . A . 49 ASP H . . A . 40 LEU MD1 . . . 49 ASP- HN . . . . . 40 LEU QQD . . rr_1k3h 1 479 2 OR . 1 1 19 19 LEU MD2 H . . . 1 1 28 28 ASP H H . . . . . . . 7.88 . . . . . A . 40 LEU MD2 . . A . 49 ASP H . . . 40 LEU QQD . . . . . 49 ASP- HN . . rr_1k3h 1 480 1 OR . 1 1 28 28 ASP HA H . . . 1 1 19 19 LEU MD1 H . . . . . . . 6.21 . . . . . A . 49 ASP HA . . A . 40 LEU MD1 . . . 49 ASP- HA . . . . . 40 LEU QQD . . rr_1k3h 1 480 2 OR . 1 1 19 19 LEU MD2 H . . . 1 1 28 28 ASP HA H . . . . . . . 6.21 . . . . . A . 40 LEU MD2 . . A . 49 ASP HA . . . 40 LEU QQD . . . . . 49 ASP- HA . . rr_1k3h 1 481 1 OR . 1 1 66 66 TRP HZ3 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 5.30 . . . . . A . 87 TRP HZ3 . . A . 40 LEU MD1 . . . 87 TRP HZ3 . . . . . 40 LEU QQD . . rr_1k3h 1 481 2 OR . 1 1 66 66 TRP HZ3 H . . . 1 1 19 19 LEU MD2 H . . . . . . . 5.30 . . . . . A . 87 TRP HZ3 . . A . 40 LEU MD2 . . . 87 TRP HZ3 . . . . . 40 LEU QQD . . rr_1k3h 1 482 1 OR . 1 1 66 66 TRP HH2 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 5.24 . . . . . A . 87 TRP HH2 . . A . 40 LEU MD1 . . . 87 TRP HH2 . . . . . 40 LEU QQD . . rr_1k3h 1 482 2 OR . 1 1 66 66 TRP HH2 H . . . 1 1 19 19 LEU MD2 H . . . . . . . 5.24 . . . . . A . 87 TRP HH2 . . A . 40 LEU MD2 . . . 87 TRP HH2 . . . . . 40 LEU QQD . . rr_1k3h 1 483 1 OR . 1 1 19 19 LEU MD2 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.40 . . . . . A . 40 LEU MD2 . . A . 88 LEU MD1 . . . 40 LEU QQD . . . . . 88 LEU QQD . . rr_1k3h 1 483 2 OR . 1 1 19 19 LEU MD1 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.40 . . . . . A . 40 LEU MD1 . . A . 88 LEU MD1 . . . 40 LEU QQD . . . . . 88 LEU QQD . . rr_1k3h 1 483 3 OR . 1 1 67 67 LEU MD2 H . . . 1 1 19 19 LEU MD1 H . . . . . . . 7.40 . . . . . A . 88 LEU MD2 . . A . 40 LEU MD1 . . . 88 LEU QQD . . . . . 40 LEU QQD . . rr_1k3h 1 483 4 OR . 1 1 19 19 LEU MD2 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 7.40 . . . . . A . 40 LEU MD2 . . A . 88 LEU MD2 . . . 40 LEU QQD . . . . . 88 LEU QQD . . rr_1k3h 1 484 1 . . 1 1 20 20 THR H H . . . 1 1 20 20 THR MG H . . . . . . . 4.17 . . . . . A . 41 THR H . . A . 41 THR MG . . . 41 THR HN . . . . . 41 THR QG2 . . rr_1k3h 1 485 1 . . 1 1 20 20 THR H H . . . 1 1 21 21 GLY H H . . . . . . . 3.76 . . . . . A . 41 THR H . . A . 42 GLY H . . . 41 THR HN . . . . . 42 GLY HN . . rr_1k3h 1 486 1 . . 1 1 21 21 GLY HA2 H . . . 1 1 20 20 THR H H . . . . . . . 5.50 . . . . . A . 42 GLY HA2 . . A . 41 THR H . . . 42 GLY HA1 . . . . . 41 THR HN . . rr_1k3h 1 487 1 . . 1 1 20 20 THR H H . . . 1 1 26 26 ALA HA H . . . . . . . 5.50 . . . . . A . 41 THR H . . A . 47 ALA HA . . . 41 THR HN . . . . . 47 ALA HA . . rr_1k3h 1 488 1 OR . 1 1 20 20 THR H H . . . 1 1 28 28 ASP HB3 H . . . . . . . 6.38 . . . . . A . 41 THR H . . A . 49 ASP HB3 . . . 41 THR HN . . . . . 49 ASP- QB . . rr_1k3h 1 488 2 OR . 1 1 20 20 THR H H . . . 1 1 28 28 ASP HB2 H . . . . . . . 6.38 . . . . . A . 41 THR H . . A . 49 ASP HB2 . . . 41 THR HN . . . . . 49 ASP- QB . . rr_1k3h 1 489 1 . . 1 1 20 20 THR MG H . . . 1 1 20 20 THR HA H . . . . . . . 3.43 . . . . . A . 41 THR MG . . A . 41 THR HA . . . 41 THR QG2 . . . . . 41 THR HA . . rr_1k3h 1 490 1 . . 1 1 26 26 ALA HA H . . . 1 1 20 20 THR HA H . . . . . . . 5.50 . . . . . A . 47 ALA HA . . A . 41 THR HA . . . 47 ALA HA . . . . . 41 THR HA . . rr_1k3h 1 491 1 . . 1 1 20 20 THR HA H . . . 1 1 26 26 ALA MB H . . . . . . . 3.77 . . . . . A . 41 THR HA . . A . 47 ALA MB . . . 41 THR HA . . . . . 47 ALA QB . . rr_1k3h 1 492 1 . . 1 1 27 27 ILE H H . . . 1 1 20 20 THR HA H . . . . . . . 5.50 . . . . . A . 48 ILE H . . A . 41 THR HA . . . 48 ILE HN . . . . . 41 THR HA . . rr_1k3h 1 493 1 . . 1 1 28 28 ASP H H . . . 1 1 20 20 THR HA H . . . . . . . 4.29 . . . . . A . 49 ASP H . . A . 41 THR HA . . . 49 ASP- HN . . . . . 41 THR HA . . rr_1k3h 1 494 1 . . 1 1 28 28 ASP HB2 H . . . 1 1 20 20 THR HA H . . . . . . . 5.50 . . . . . A . 49 ASP HB2 . . A . 41 THR HA . . . 49 ASP- HB2 . . . . . 41 THR HA . . rr_1k3h 1 495 1 . . 1 1 20 20 THR HA H . . . 1 1 28 28 ASP HB3 H . . . . . . . 5.50 . . . . . A . 41 THR HA . . A . 49 ASP HB3 . . . 41 THR HA . . . . . 49 ASP- HB3 . . rr_1k3h 1 496 1 OR . 1 1 20 20 THR HA H . . . 1 1 28 28 ASP HB3 H . . . . . . . 5.30 . . . . . A . 41 THR HA . . A . 49 ASP HB3 . . . 41 THR HA . . . . . 49 ASP- QB . . rr_1k3h 1 496 2 OR . 1 1 28 28 ASP HB2 H . . . 1 1 20 20 THR HA H . . . . . . . 5.30 . . . . . A . 49 ASP HB2 . . A . 41 THR HA . . . 49 ASP- QB . . . . . 41 THR HA . . rr_1k3h 1 497 1 . . 1 1 21 21 GLY H H . . . 1 1 20 20 THR MG H . . . . . . . 6.53 . . . . . A . 42 GLY H . . A . 41 THR MG . . . 42 GLY HN . . . . . 41 THR QG2 . . rr_1k3h 1 498 1 . . 1 1 20 20 THR MG H . . . 1 1 28 28 ASP H H . . . . . . . 6.53 . . . . . A . 41 THR MG . . A . 49 ASP H . . . 41 THR QG2 . . . . . 49 ASP- HN . . rr_1k3h 1 499 1 . . 1 1 20 20 THR MG H . . . 1 1 28 28 ASP HB2 H . . . . . . . 5.44 . . . . . A . 41 THR MG . . A . 49 ASP HB2 . . . 41 THR QG2 . . . . . 49 ASP- HB2 . . rr_1k3h 1 500 1 . . 1 1 20 20 THR MG H . . . 1 1 28 28 ASP HB3 H . . . . . . . 5.44 . . . . . A . 41 THR MG . . A . 49 ASP HB3 . . . 41 THR QG2 . . . . . 49 ASP- HB3 . . rr_1k3h 1 501 1 OR . 1 1 20 20 THR MG H . . . 1 1 28 28 ASP HB3 H . . . . . . . 5.01 . . . . . A . 41 THR MG . . A . 49 ASP HB3 . . . 41 THR QG2 . . . . . 49 ASP- QB . . rr_1k3h 1 501 2 OR . 1 1 20 20 THR MG H . . . 1 1 28 28 ASP HB2 H . . . . . . . 5.01 . . . . . A . 41 THR MG . . A . 49 ASP HB2 . . . 41 THR QG2 . . . . . 49 ASP- QB . . rr_1k3h 1 502 1 . . 1 1 21 21 GLY H H . . . 1 1 26 26 ALA HA H . . . . . . . 4.20 . . . . . A . 42 GLY H . . A . 47 ALA HA . . . 42 GLY HN . . . . . 47 ALA HA . . rr_1k3h 1 503 1 . . 1 1 21 21 GLY H H . . . 1 1 26 26 ALA MB H . . . . . . . 5.91 . . . . . A . 42 GLY H . . A . 47 ALA MB . . . 42 GLY HN . . . . . 47 ALA QB . . rr_1k3h 1 504 1 . . 1 1 21 21 GLY H H . . . 1 1 27 27 ILE H H . . . . . . . 5.50 . . . . . A . 42 GLY H . . A . 48 ILE H . . . 42 GLY HN . . . . . 48 ILE HN . . rr_1k3h 1 505 1 . . 1 1 21 21 GLY H H . . . 1 1 28 28 ASP H H . . . . . . . 5.13 . . . . . A . 42 GLY H . . A . 49 ASP H . . . 42 GLY HN . . . . . 49 ASP- HN . . rr_1k3h 1 506 1 . . 1 1 21 21 GLY HA2 H . . . 1 1 22 22 ALA H H . . . . . . . 3.05 . . . . . A . 42 GLY HA2 . . A . 43 ALA H . . . 42 GLY HA1 . . . . . 43 ALA HN . . rr_1k3h 1 507 1 . . 1 1 22 22 ALA MB H . . . 1 1 21 21 GLY HA2 H . . . . . . . 6.53 . . . . . A . 43 ALA MB . . A . 42 GLY HA2 . . . 43 ALA QB . . . . . 42 GLY HA1 . . rr_1k3h 1 508 1 . . 1 1 24 24 ALA H H . . . 1 1 21 21 GLY HA2 H . . . . . . . 5.50 . . . . . A . 45 ALA H . . A . 42 GLY HA2 . . . 45 ALA HN . . . . . 42 GLY HA1 . . rr_1k3h 1 509 1 . . 1 1 21 21 GLY HA2 H . . . 1 1 26 26 ALA H H . . . . . . . 4.72 . . . . . A . 42 GLY HA2 . . A . 47 ALA H . . . 42 GLY HA1 . . . . . 47 ALA HN . . rr_1k3h 1 510 1 . . 1 1 21 21 GLY HA2 H . . . 1 1 26 26 ALA MB H . . . . . . . 6.09 . . . . . A . 42 GLY HA2 . . A . 47 ALA MB . . . 42 GLY HA1 . . . . . 47 ALA QB . . rr_1k3h 1 511 1 . . 1 1 21 21 GLY HA3 H . . . 1 1 22 22 ALA H H . . . . . . . 3.36 . . . . . A . 42 GLY HA3 . . A . 43 ALA H . . . 42 GLY HA2 . . . . . 43 ALA HN . . rr_1k3h 1 512 1 . . 1 1 22 22 ALA MB H . . . 1 1 21 21 GLY HA3 H . . . . . . . 6.53 . . . . . A . 43 ALA MB . . A . 42 GLY HA3 . . . 43 ALA QB . . . . . 42 GLY HA2 . . rr_1k3h 1 513 1 . . 1 1 24 24 ALA H H . . . 1 1 21 21 GLY HA3 H . . . . . . . 5.50 . . . . . A . 45 ALA H . . A . 42 GLY HA3 . . . 45 ALA HN . . . . . 42 GLY HA2 . . rr_1k3h 1 514 1 . . 1 1 21 21 GLY HA3 H . . . 1 1 26 26 ALA H H . . . . . . . 4.45 . . . . . A . 42 GLY HA3 . . A . 47 ALA H . . . 42 GLY HA2 . . . . . 47 ALA HN . . rr_1k3h 1 515 1 . . 1 1 21 21 GLY HA3 H . . . 1 1 26 26 ALA MB H . . . . . . . 5.38 . . . . . A . 42 GLY HA3 . . A . 47 ALA MB . . . 42 GLY HA2 . . . . . 47 ALA QB . . rr_1k3h 1 516 1 . . 1 1 23 23 SER H H . . . 1 1 22 22 ALA H H . . . . . . . 4.88 . . . . . A . 44 SER H . . A . 43 ALA H . . . 44 SER HN . . . . . 43 ALA HN . . rr_1k3h 1 517 1 . . 1 1 22 22 ALA H H . . . 1 1 23 23 SER HA H . . . . . . . 5.34 . . . . . A . 43 ALA H . . A . 44 SER HA . . . 43 ALA HN . . . . . 44 SER HA . . rr_1k3h 1 518 1 . . 1 1 24 24 ALA H H . . . 1 1 22 22 ALA H H . . . . . . . 3.73 . . . . . A . 45 ALA H . . A . 43 ALA H . . . 45 ALA HN . . . . . 43 ALA HN . . rr_1k3h 1 519 1 . . 1 1 22 22 ALA H H . . . 1 1 25 25 PRO HA H . . . . . . . 5.13 . . . . . A . 43 ALA H . . A . 46 PRO HA . . . 43 ALA HN . . . . . 46 PRO HA . . rr_1k3h 1 520 1 . . 1 1 22 22 ALA H H . . . 1 1 26 26 ALA MB H . . . . . . . 6.53 . . . . . A . 43 ALA H . . A . 47 ALA MB . . . 43 ALA HN . . . . . 47 ALA QB . . rr_1k3h 1 521 1 . . 1 1 24 24 ALA H H . . . 1 1 22 22 ALA HA H . . . . . . . 5.50 . . . . . A . 45 ALA H . . A . 43 ALA HA . . . 45 ALA HN . . . . . 43 ALA HA . . rr_1k3h 1 522 1 . . 1 1 22 22 ALA MB H . . . 1 1 23 23 SER H H . . . . . . . 3.74 . . . . . A . 43 ALA MB . . A . 44 SER H . . . 43 ALA QB . . . . . 44 SER HN . . rr_1k3h 1 523 1 . . 1 1 22 22 ALA MB H . . . 1 1 23 23 SER HA H . . . . . . . 6.53 . . . . . A . 43 ALA MB . . A . 44 SER HA . . . 43 ALA QB . . . . . 44 SER HA . . rr_1k3h 1 524 1 . . 1 1 22 22 ALA MB H . . . 1 1 24 24 ALA H H . . . . . . . 5.35 . . . . . A . 43 ALA MB . . A . 45 ALA H . . . 43 ALA QB . . . . . 45 ALA HN . . rr_1k3h 1 525 1 . . 1 1 23 23 SER H H . . . 1 1 24 24 ALA H H . . . . . . . 3.83 . . . . . A . 44 SER H . . A . 45 ALA H . . . 44 SER HN . . . . . 45 ALA HN . . rr_1k3h 1 526 1 . . 1 1 24 24 ALA H H . . . 1 1 23 23 SER HB2 H . . . . . . . 5.13 . . . . . A . 45 ALA H . . A . 44 SER HB2 . . . 45 ALA HN . . . . . 44 SER HB2 . . rr_1k3h 1 527 1 . . 1 1 24 24 ALA H H . . . 1 1 23 23 SER HB3 H . . . . . . . 5.13 . . . . . A . 45 ALA H . . A . 44 SER HB3 . . . 45 ALA HN . . . . . 44 SER HB3 . . rr_1k3h 1 528 1 . . 1 1 24 24 ALA HA H . . . 1 1 25 25 PRO HG2 H . . . . . . . 5.50 . . . . . A . 45 ALA HA . . A . 46 PRO HG2 . . . 45 ALA HA . . . . . 46 PRO HG2 . . rr_1k3h 1 529 1 . . 1 1 24 24 ALA HA H . . . 1 1 25 25 PRO HG3 H . . . . . . . 5.50 . . . . . A . 45 ALA HA . . A . 46 PRO HG3 . . . 45 ALA HA . . . . . 46 PRO HG3 . . rr_1k3h 1 530 1 . . 1 1 25 25 PRO HD2 H . . . 1 1 24 24 ALA HA H . . . . . . . 3.92 . . . . . A . 46 PRO HD2 . . A . 45 ALA HA . . . 46 PRO HD2 . . . . . 45 ALA HA . . rr_1k3h 1 531 1 . . 1 1 24 24 ALA HA H . . . 1 1 25 25 PRO HD3 H . . . . . . . 3.92 . . . . . A . 45 ALA HA . . A . 46 PRO HD3 . . . 45 ALA HA . . . . . 46 PRO HD3 . . rr_1k3h 1 532 1 OR . 1 1 24 24 ALA HA H . . . 1 1 25 25 PRO HD3 H . . . . . . . 3.24 . . . . . A . 45 ALA HA . . A . 46 PRO HD3 . . . 45 ALA HA . . . . . 46 PRO QD . . rr_1k3h 1 532 2 OR . 1 1 25 25 PRO HD2 H . . . 1 1 24 24 ALA HA H . . . . . . . 3.24 . . . . . A . 46 PRO HD2 . . A . 45 ALA HA . . . 46 PRO QD . . . . . 45 ALA HA . . rr_1k3h 1 533 1 . . 1 1 26 26 ALA H H . . . 1 1 25 25 PRO HA H . . . . . . . 2.99 . . . . . A . 47 ALA H . . A . 46 PRO HA . . . 47 ALA HN . . . . . 46 PRO HA . . rr_1k3h 1 534 1 . . 1 1 26 26 ALA MB H . . . 1 1 25 25 PRO HA H . . . . . . . 4.95 . . . . . A . 47 ALA MB . . A . 46 PRO HA . . . 47 ALA QB . . . . . 46 PRO HA . . rr_1k3h 1 535 1 . . 1 1 25 25 PRO HB2 H . . . 1 1 26 26 ALA H H . . . . . . . 3.92 . . . . . A . 46 PRO HB2 . . A . 47 ALA H . . . 46 PRO HB2 . . . . . 47 ALA HN . . rr_1k3h 1 536 1 . . 1 1 26 26 ALA H H . . . 1 1 25 25 PRO HB3 H . . . . . . . 3.92 . . . . . A . 47 ALA H . . A . 46 PRO HB3 . . . 47 ALA HN . . . . . 46 PRO HB3 . . rr_1k3h 1 537 1 OR . 1 1 26 26 ALA H H . . . 1 1 25 25 PRO HB3 H . . . . . . . 3.75 . . . . . A . 47 ALA H . . A . 46 PRO HB3 . . . 47 ALA HN . . . . . 46 PRO QB . . rr_1k3h 1 537 2 OR . 1 1 25 25 PRO HB2 H . . . 1 1 26 26 ALA H H . . . . . . . 3.75 . . . . . A . 46 PRO HB2 . . A . 47 ALA H . . . 46 PRO QB . . . . . 47 ALA HN . . rr_1k3h 1 538 1 . . 1 1 25 25 PRO HG2 H . . . 1 1 26 26 ALA H H . . . . . . . 5.50 . . . . . A . 46 PRO HG2 . . A . 47 ALA H . . . 46 PRO HG2 . . . . . 47 ALA HN . . rr_1k3h 1 539 1 . . 1 1 26 26 ALA H H . . . 1 1 25 25 PRO HG3 H . . . . . . . 5.50 . . . . . A . 47 ALA H . . A . 46 PRO HG3 . . . 47 ALA HN . . . . . 46 PRO HG3 . . rr_1k3h 1 540 1 . . 1 1 26 26 ALA MB H . . . 1 1 26 26 ALA H H . . . . . . . 3.46 . . . . . A . 47 ALA MB . . A . 47 ALA H . . . 47 ALA QB . . . . . 47 ALA HN . . rr_1k3h 1 541 1 . . 1 1 27 27 ILE H H . . . 1 1 26 26 ALA HA H . . . . . . . 2.96 . . . . . A . 48 ILE H . . A . 47 ALA HA . . . 48 ILE HN . . . . . 47 ALA HA . . rr_1k3h 1 542 1 . . 1 1 27 27 ILE HG12 H . . . 1 1 26 26 ALA HA H . . . . . . . 5.50 . . . . . A . 48 ILE HG12 . . A . 47 ALA HA . . . 48 ILE HG12 . . . . . 47 ALA HA . . rr_1k3h 1 543 1 . . 1 1 26 26 ALA HA H . . . 1 1 27 27 ILE HG13 H . . . . . . . 5.50 . . . . . A . 47 ALA HA . . A . 48 ILE HG13 . . . 47 ALA HA . . . . . 48 ILE HG13 . . rr_1k3h 1 544 1 . . 1 1 27 27 ILE H H . . . 1 1 26 26 ALA MB H . . . . . . . 4.42 . . . . . A . 48 ILE H . . A . 47 ALA MB . . . 48 ILE HN . . . . . 47 ALA QB . . rr_1k3h 1 545 1 . . 1 1 27 27 ILE HA H . . . 1 1 26 26 ALA MB H . . . . . . . 5.91 . . . . . A . 48 ILE HA . . A . 47 ALA MB . . . 48 ILE HA . . . . . 47 ALA QB . . rr_1k3h 1 546 1 . . 1 1 28 28 ASP H H . . . 1 1 26 26 ALA MB H . . . . . . . 3.74 . . . . . A . 49 ASP H . . A . 47 ALA MB . . . 49 ASP- HN . . . . . 47 ALA QB . . rr_1k3h 1 547 1 OR . 1 1 26 26 ALA MB H . . . 1 1 28 28 ASP HB3 H . . . . . . . 7.41 . . . . . A . 47 ALA MB . . A . 49 ASP HB3 . . . 47 ALA QB . . . . . 49 ASP- QB . . rr_1k3h 1 547 2 OR . 1 1 28 28 ASP HB2 H . . . 1 1 26 26 ALA MB H . . . . . . . 7.41 . . . . . A . 49 ASP HB2 . . A . 47 ALA MB . . . 49 ASP- QB . . . . . 47 ALA QB . . rr_1k3h 1 548 1 . . 1 1 26 26 ALA MB H . . . 1 1 29 29 LYS H H . . . . . . . 6.28 . . . . . A . 47 ALA MB . . A . 50 LYS H . . . 47 ALA QB . . . . . 50 LYS+ HN . . rr_1k3h 1 549 1 OR . 1 1 27 27 ILE H H . . . 1 1 27 27 ILE HG13 H . . . . . . . 5.30 . . . . . A . 48 ILE H . . A . 48 ILE HG13 . . . 48 ILE HN . . . . . 48 ILE QG1 . . rr_1k3h 1 549 2 OR . 1 1 27 27 ILE HG12 H . . . 1 1 27 27 ILE H H . . . . . . . 5.30 . . . . . A . 48 ILE HG12 . . A . 48 ILE H . . . 48 ILE QG1 . . . . . 48 ILE HN . . rr_1k3h 1 550 1 . . 1 1 27 27 ILE MD H . . . 1 1 27 27 ILE H H . . . . . . . 6.53 . . . . . A . 48 ILE MD . . A . 48 ILE H . . . 48 ILE QD1 . . . . . 48 ILE HN . . rr_1k3h 1 551 1 . . 1 1 27 27 ILE H H . . . 1 1 28 28 ASP H H . . . . . . . 3.08 . . . . . A . 48 ILE H . . A . 49 ASP H . . . 48 ILE HN . . . . . 49 ASP- HN . . rr_1k3h 1 552 1 . . 1 1 27 27 ILE H H . . . 1 1 28 28 ASP HA H . . . . . . . 5.00 . . . . . A . 48 ILE H . . A . 49 ASP HA . . . 48 ILE HN . . . . . 49 ASP- HA . . rr_1k3h 1 553 1 . . 1 1 27 27 ILE H H . . . 1 1 28 28 ASP HB2 H . . . . . . . 5.50 . . . . . A . 48 ILE H . . A . 49 ASP HB2 . . . 48 ILE HN . . . . . 49 ASP- HB2 . . rr_1k3h 1 554 1 . . 1 1 27 27 ILE H H . . . 1 1 28 28 ASP HB3 H . . . . . . . 5.50 . . . . . A . 48 ILE H . . A . 49 ASP HB3 . . . 48 ILE HN . . . . . 49 ASP- HB3 . . rr_1k3h 1 555 1 OR . 1 1 27 27 ILE H H . . . 1 1 28 28 ASP HB3 H . . . . . . . 5.07 . . . . . A . 48 ILE H . . A . 49 ASP HB3 . . . 48 ILE HN . . . . . 49 ASP- QB . . rr_1k3h 1 555 2 OR . 1 1 27 27 ILE H H . . . 1 1 28 28 ASP HB2 H . . . . . . . 5.07 . . . . . A . 48 ILE H . . A . 49 ASP HB2 . . . 48 ILE HN . . . . . 49 ASP- QB . . rr_1k3h 1 556 1 . . 1 1 27 27 ILE H H . . . 1 1 29 29 LYS H H . . . . . . . 4.97 . . . . . A . 48 ILE H . . A . 50 LYS H . . . 48 ILE HN . . . . . 50 LYS+ HN . . rr_1k3h 1 557 1 . . 1 1 27 27 ILE MG H . . . 1 1 27 27 ILE HA H . . . . . . . 3.74 . . . . . A . 48 ILE MG . . A . 48 ILE HA . . . 48 ILE QG2 . . . . . 48 ILE HA . . rr_1k3h 1 558 1 . . 1 1 27 27 ILE HA H . . . 1 1 29 29 LYS H H . . . . . . . 4.07 . . . . . A . 48 ILE HA . . A . 50 LYS H . . . 48 ILE HA . . . . . 50 LYS+ HN . . rr_1k3h 1 559 1 . . 1 1 27 27 ILE HA H . . . 1 1 30 30 ALA H H . . . . . . . 4.35 . . . . . A . 48 ILE HA . . A . 51 ALA H . . . 48 ILE HA . . . . . 51 ALA HN . . rr_1k3h 1 560 1 . . 1 1 27 27 ILE HA H . . . 1 1 30 30 ALA HA H . . . . . . . 5.31 . . . . . A . 48 ILE HA . . A . 51 ALA HA . . . 48 ILE HA . . . . . 51 ALA HA . . rr_1k3h 1 561 1 . . 1 1 27 27 ILE HA H . . . 1 1 30 30 ALA MB H . . . . . . . 4.08 . . . . . A . 48 ILE HA . . A . 51 ALA MB . . . 48 ILE HA . . . . . 51 ALA QB . . rr_1k3h 1 562 1 OR . 1 1 27 27 ILE HA H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.91 . . . . . A . 48 ILE HA . . A . 88 LEU MD1 . . . 48 ILE HA . . . . . 88 LEU QQD . . rr_1k3h 1 562 2 OR . 1 1 27 27 ILE HA H . . . 1 1 67 67 LEU MD2 H . . . . . . . 7.91 . . . . . A . 48 ILE HA . . A . 88 LEU MD2 . . . 48 ILE HA . . . . . 88 LEU QQD . . rr_1k3h 1 563 1 . . 1 1 27 27 ILE HB H . . . 1 1 30 30 ALA MB H . . . . . . . 3.80 . . . . . A . 48 ILE HB . . A . 51 ALA MB . . . 48 ILE HB . . . . . 51 ALA QB . . rr_1k3h 1 564 1 . . 1 1 27 27 ILE MG H . . . 1 1 30 30 ALA MB H . . . . . . . 7.56 . . . . . A . 48 ILE MG . . A . 51 ALA MB . . . 48 ILE QG2 . . . . . 51 ALA QB . . rr_1k3h 1 565 1 . . 1 1 27 27 ILE HG12 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 8.28 . . . . . A . 48 ILE HG12 . . A . 88 LEU MD1 . . . 48 ILE HG12 . . . . . 88 LEU QD1 . . rr_1k3h 1 566 1 . . 1 1 27 27 ILE HG12 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 8.28 . . . . . A . 48 ILE HG12 . . A . 88 LEU MD2 . . . 48 ILE HG12 . . . . . 88 LEU QD2 . . rr_1k3h 1 567 1 . . 1 1 27 27 ILE HG13 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 8.28 . . . . . A . 48 ILE HG13 . . A . 88 LEU MD1 . . . 48 ILE HG13 . . . . . 88 LEU QD1 . . rr_1k3h 1 568 1 . . 1 1 67 67 LEU MD2 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 8.28 . . . . . A . 88 LEU MD2 . . A . 48 ILE HG13 . . . 88 LEU QD2 . . . . . 48 ILE HG13 . . rr_1k3h 1 569 1 OR . 1 1 28 28 ASP H H . . . 1 1 27 27 ILE HG13 H . . . . . . . 6.38 . . . . . A . 49 ASP H . . A . 48 ILE HG13 . . . 49 ASP- HN . . . . . 48 ILE QG1 . . rr_1k3h 1 569 2 OR . 1 1 27 27 ILE HG12 H . . . 1 1 28 28 ASP H H . . . . . . . 6.38 . . . . . A . 48 ILE HG12 . . A . 49 ASP H . . . 48 ILE QG1 . . . . . 49 ASP- HN . . rr_1k3h 1 570 1 OR . 1 1 30 30 ALA MB H . . . 1 1 27 27 ILE HG13 H . . . . . . . 7.41 . . . . . A . 51 ALA MB . . A . 48 ILE HG13 . . . 51 ALA QB . . . . . 48 ILE QG1 . . rr_1k3h 1 570 2 OR . 1 1 27 27 ILE HG12 H . . . 1 1 30 30 ALA MB H . . . . . . . 7.41 . . . . . A . 48 ILE HG12 . . A . 51 ALA MB . . . 48 ILE QG1 . . . . . 51 ALA QB . . rr_1k3h 1 571 1 OR . 1 1 27 27 ILE HG12 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.05 . . . . . A . 48 ILE HG12 . . A . 88 LEU MD1 . . . 48 ILE QG1 . . . . . 88 LEU QQD . . rr_1k3h 1 571 2 OR . 1 1 27 27 ILE HG13 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.05 . . . . . A . 48 ILE HG13 . . A . 88 LEU MD1 . . . 48 ILE QG1 . . . . . 88 LEU QQD . . rr_1k3h 1 571 3 OR . 1 1 67 67 LEU MD2 H . . . 1 1 27 27 ILE HG13 H . . . . . . . 7.05 . . . . . A . 88 LEU MD2 . . A . 48 ILE HG13 . . . 88 LEU QQD . . . . . 48 ILE QG1 . . rr_1k3h 1 571 4 OR . 1 1 27 27 ILE HG12 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 7.05 . . . . . A . 48 ILE HG12 . . A . 88 LEU MD2 . . . 48 ILE QG1 . . . . . 88 LEU QQD . . rr_1k3h 1 572 1 . . 1 1 27 27 ILE MD H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.56 . . . . . A . 48 ILE MD . . A . 88 LEU MD1 . . . 48 ILE QD1 . . . . . 88 LEU QD1 . . rr_1k3h 1 573 1 . . 1 1 27 27 ILE MD H . . . 1 1 67 67 LEU MD2 H . . . . . . . 7.56 . . . . . A . 48 ILE MD . . A . 88 LEU MD2 . . . 48 ILE QD1 . . . . . 88 LEU QD2 . . rr_1k3h 1 574 1 . . 1 1 28 28 ASP HB2 H . . . 1 1 28 28 ASP H H . . . . . . . 4.11 . . . . . A . 49 ASP HB2 . . A . 49 ASP H . . . 49 ASP- HB2 . . . . . 49 ASP- HN . . rr_1k3h 1 575 1 . . 1 1 28 28 ASP H H . . . 1 1 28 28 ASP HB3 H . . . . . . . 4.11 . . . . . A . 49 ASP H . . A . 49 ASP HB3 . . . 49 ASP- HN . . . . . 49 ASP- HB3 . . rr_1k3h 1 576 1 OR . 1 1 28 28 ASP H H . . . 1 1 28 28 ASP HB3 H . . . . . . . 3.74 . . . . . A . 49 ASP H . . A . 49 ASP HB3 . . . 49 ASP- HN . . . . . 49 ASP- QB . . rr_1k3h 1 576 2 OR . 1 1 28 28 ASP HB2 H . . . 1 1 28 28 ASP H H . . . . . . . 3.74 . . . . . A . 49 ASP HB2 . . A . 49 ASP H . . . 49 ASP- QB . . . . . 49 ASP- HN . . rr_1k3h 1 577 1 . . 1 1 28 28 ASP H H . . . 1 1 29 29 LYS H H . . . . . . . 3.52 . . . . . A . 49 ASP H . . A . 50 LYS H . . . 49 ASP- HN . . . . . 50 LYS+ HN . . rr_1k3h 1 578 1 . . 1 1 28 28 ASP H H . . . 1 1 30 30 ALA H H . . . . . . . 5.16 . . . . . A . 49 ASP H . . A . 51 ALA H . . . 49 ASP- HN . . . . . 51 ALA HN . . rr_1k3h 1 579 1 . . 1 1 28 28 ASP HA H . . . 1 1 30 30 ALA H H . . . . . . . 5.00 . . . . . A . 49 ASP HA . . A . 51 ALA H . . . 49 ASP- HA . . . . . 51 ALA HN . . rr_1k3h 1 580 1 OR . 1 1 28 28 ASP HA H . . . 1 1 70 70 LYS HE2 H . . . . . . . 6.38 . . . . . A . 49 ASP HA . . A . 91 LYS HE2 . . . 49 ASP- HA . . . . . 91 LYS+ QE . . rr_1k3h 1 580 2 OR . 1 1 28 28 ASP HA H . . . 1 1 70 70 LYS HE3 H . . . . . . . 6.38 . . . . . A . 49 ASP HA . . A . 91 LYS HE3 . . . 49 ASP- HA . . . . . 91 LYS+ QE . . rr_1k3h 1 581 1 . . 1 1 28 28 ASP HB2 H . . . 1 1 29 29 LYS H H . . . . . . . 5.22 . . . . . A . 49 ASP HB2 . . A . 50 LYS H . . . 49 ASP- HB2 . . . . . 50 LYS+ HN . . rr_1k3h 1 582 1 . . 1 1 29 29 LYS H H . . . 1 1 28 28 ASP HB3 H . . . . . . . 5.22 . . . . . A . 50 LYS H . . A . 49 ASP HB3 . . . 50 LYS+ HN . . . . . 49 ASP- HB3 . . rr_1k3h 1 583 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HB2 H . . . . . . . 4.11 . . . . . A . 50 LYS H . . A . 50 LYS HB2 . . . 50 LYS+ HN . . . . . 50 LYS+ HB2 . . rr_1k3h 1 584 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HB3 H . . . . . . . 4.11 . . . . . A . 50 LYS H . . A . 50 LYS HB3 . . . 50 LYS+ HN . . . . . 50 LYS+ HB3 . . rr_1k3h 1 585 1 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HB3 H . . . . . . . 3.75 . . . . . A . 50 LYS H . . A . 50 LYS HB3 . . . 50 LYS+ HN . . . . . 50 LYS+ QB . . rr_1k3h 1 585 2 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HB2 H . . . . . . . 3.75 . . . . . A . 50 LYS H . . A . 50 LYS HB2 . . . 50 LYS+ HN . . . . . 50 LYS+ QB . . rr_1k3h 1 586 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG2 H . . . . . . . 5.25 . . . . . A . 50 LYS H . . A . 50 LYS HG2 . . . 50 LYS+ HN . . . . . 50 LYS+ HG2 . . rr_1k3h 1 587 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG3 H . . . . . . . 5.25 . . . . . A . 50 LYS H . . A . 50 LYS HG3 . . . 50 LYS+ HN . . . . . 50 LYS+ HG3 . . rr_1k3h 1 588 1 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG2 H . . . . . . . 4.93 . . . . . A . 50 LYS H . . A . 50 LYS HG2 . . . 50 LYS+ HN . . . . . 50 LYS+ QG . . rr_1k3h 1 588 2 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG3 H . . . . . . . 4.93 . . . . . A . 50 LYS H . . A . 50 LYS HG3 . . . 50 LYS+ HN . . . . . 50 LYS+ QG . . rr_1k3h 1 589 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HD2 H . . . . . . . 5.50 . . . . . A . 50 LYS H . . A . 50 LYS HD2 . . . 50 LYS+ HN . . . . . 50 LYS+ HD2 . . rr_1k3h 1 590 1 . . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HD3 H . . . . . . . 5.50 . . . . . A . 50 LYS H . . A . 50 LYS HD3 . . . 50 LYS+ HN . . . . . 50 LYS+ HD3 . . rr_1k3h 1 591 1 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HE2 H . . . . . . . 6.38 . . . . . A . 50 LYS H . . A . 50 LYS HE2 . . . 50 LYS+ HN . . . . . 50 LYS+ QE . . rr_1k3h 1 591 2 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HE3 H . . . . . . . 6.38 . . . . . A . 50 LYS H . . A . 50 LYS HE3 . . . 50 LYS+ HN . . . . . 50 LYS+ QE . . rr_1k3h 1 592 1 . . 1 1 29 29 LYS H H . . . 1 1 30 30 ALA H H . . . . . . . 3.36 . . . . . A . 50 LYS H . . A . 51 ALA H . . . 50 LYS+ HN . . . . . 51 ALA HN . . rr_1k3h 1 593 1 . . 1 1 30 30 ALA HA H . . . 1 1 29 29 LYS H H . . . . . . . 5.00 . . . . . A . 51 ALA HA . . A . 50 LYS H . . . 51 ALA HA . . . . . 50 LYS+ HN . . rr_1k3h 1 594 1 . . 1 1 30 30 ALA MB H . . . 1 1 29 29 LYS H H . . . . . . . 5.63 . . . . . A . 51 ALA MB . . A . 50 LYS H . . . 51 ALA QB . . . . . 50 LYS+ HN . . rr_1k3h 1 595 1 . . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HD2 H . . . . . . . 5.50 . . . . . A . 50 LYS HA . . A . 50 LYS HD2 . . . 50 LYS+ HA . . . . . 50 LYS+ HD2 . . rr_1k3h 1 596 1 . . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HD3 H . . . . . . . 5.50 . . . . . A . 50 LYS HA . . A . 50 LYS HD3 . . . 50 LYS+ HA . . . . . 50 LYS+ HD3 . . rr_1k3h 1 597 1 . . 1 1 29 29 LYS HA H . . . 1 1 31 31 GLY H H . . . . . . . 4.79 . . . . . A . 50 LYS HA . . A . 52 GLY H . . . 50 LYS+ HA . . . . . 52 GLY HN . . rr_1k3h 1 598 1 . . 1 1 29 29 LYS HA H . . . 1 1 32 32 ALA H H . . . . . . . 5.50 . . . . . A . 50 LYS HA . . A . 53 ALA H . . . 50 LYS+ HA . . . . . 53 ALA HN . . rr_1k3h 1 599 1 OR . 1 1 29 29 LYS HA H . . . 1 1 70 70 LYS HB3 H . . . . . . . 5.51 . . . . . A . 50 LYS HA . . A . 91 LYS HB3 . . . 50 LYS+ HA . . . . . 91 LYS+ QB . . rr_1k3h 1 599 2 OR . 1 1 29 29 LYS HA H . . . 1 1 70 70 LYS HB2 H . . . . . . . 5.51 . . . . . A . 50 LYS HA . . A . 91 LYS HB2 . . . 50 LYS+ HA . . . . . 91 LYS+ QB . . rr_1k3h 1 600 1 . . 1 1 29 29 LYS HA H . . . 1 1 71 71 LYS H H . . . . . . . 5.50 . . . . . A . 50 LYS HA . . A . 92 LYS H . . . 50 LYS+ HA . . . . . 92 LYS+ HN . . rr_1k3h 1 601 1 . . 1 1 30 30 ALA H H . . . 1 1 29 29 LYS HB2 H . . . . . . . 5.04 . . . . . A . 51 ALA H . . A . 50 LYS HB2 . . . 51 ALA HN . . . . . 50 LYS+ HB2 . . rr_1k3h 1 602 1 . . 1 1 30 30 ALA H H . . . 1 1 29 29 LYS HB3 H . . . . . . . 5.04 . . . . . A . 51 ALA H . . A . 50 LYS HB3 . . . 51 ALA HN . . . . . 50 LYS+ HB3 . . rr_1k3h 1 603 1 OR . 1 1 29 29 LYS HB2 H . . . 1 1 29 29 LYS HE2 H . . . . . . . 6.75 . . . . . A . 50 LYS HB2 . . A . 50 LYS HE2 . . . 50 LYS+ QB . . . . . 50 LYS+ QE . . rr_1k3h 1 603 2 OR . 1 1 29 29 LYS HB3 H . . . 1 1 29 29 LYS HE2 H . . . . . . . 6.75 . . . . . A . 50 LYS HB3 . . A . 50 LYS HE2 . . . 50 LYS+ QB . . . . . 50 LYS+ QE . . rr_1k3h 1 603 3 OR . 1 1 29 29 LYS HE3 H . . . 1 1 29 29 LYS HB3 H . . . . . . . 6.75 . . . . . A . 50 LYS HE3 . . A . 50 LYS HB3 . . . 50 LYS+ QE . . . . . 50 LYS+ QB . . rr_1k3h 1 603 4 OR . 1 1 29 29 LYS HB2 H . . . 1 1 29 29 LYS HE3 H . . . . . . . 6.75 . . . . . A . 50 LYS HB2 . . A . 50 LYS HE3 . . . 50 LYS+ QB . . . . . 50 LYS+ QE . . rr_1k3h 1 604 1 OR . 1 1 30 30 ALA H H . . . 1 1 29 29 LYS HB3 H . . . . . . . 4.72 . . . . . A . 51 ALA H . . A . 50 LYS HB3 . . . 51 ALA HN . . . . . 50 LYS+ QB . . rr_1k3h 1 604 2 OR . 1 1 30 30 ALA H H . . . 1 1 29 29 LYS HB2 H . . . . . . . 4.72 . . . . . A . 51 ALA H . . A . 50 LYS HB2 . . . 51 ALA HN . . . . . 50 LYS+ QB . . rr_1k3h 1 605 1 OR . 1 1 30 30 ALA H H . . . 1 1 29 29 LYS HD3 H . . . . . . . 6.38 . . . . . A . 51 ALA H . . A . 50 LYS HD3 . . . 51 ALA HN . . . . . 50 LYS+ QD . . rr_1k3h 1 605 2 OR . 1 1 30 30 ALA H H . . . 1 1 29 29 LYS HD2 H . . . . . . . 6.38 . . . . . A . 51 ALA H . . A . 50 LYS HD2 . . . 51 ALA HN . . . . . 50 LYS+ QD . . rr_1k3h 1 606 1 OR . 1 1 71 71 LYS HA H . . . 1 1 29 29 LYS HD3 H . . . . . . . 6.38 . . . . . A . 92 LYS HA . . A . 50 LYS HD3 . . . 92 LYS+ HA . . . . . 50 LYS+ QD . . rr_1k3h 1 606 2 OR . 1 1 29 29 LYS HD2 H . . . 1 1 71 71 LYS HA H . . . . . . . 6.38 . . . . . A . 50 LYS HD2 . . A . 92 LYS HA . . . 50 LYS+ QD . . . . . 92 LYS+ HA . . rr_1k3h 1 607 1 . . 1 1 30 30 ALA H H . . . 1 1 31 31 GLY H H . . . . . . . 4.14 . . . . . A . 51 ALA H . . A . 52 GLY H . . . 51 ALA HN . . . . . 52 GLY HN . . rr_1k3h 1 608 1 . . 1 1 30 30 ALA H H . . . 1 1 32 32 ALA H H . . . . . . . 5.44 . . . . . A . 51 ALA H . . A . 53 ALA H . . . 51 ALA HN . . . . . 53 ALA HN . . rr_1k3h 1 609 1 . . 1 1 30 30 ALA H H . . . 1 1 67 67 LEU MD1 H . . . . . . . 6.53 . . . . . A . 51 ALA H . . A . 88 LEU MD1 . . . 51 ALA HN . . . . . 88 LEU QD1 . . rr_1k3h 1 610 1 . . 1 1 67 67 LEU MD2 H . . . 1 1 30 30 ALA H H . . . . . . . 6.53 . . . . . A . 88 LEU MD2 . . A . 51 ALA H . . . 88 LEU QD2 . . . . . 51 ALA HN . . rr_1k3h 1 611 1 OR . 1 1 30 30 ALA H H . . . 1 1 70 70 LYS HB3 H . . . . . . . 6.38 . . . . . A . 51 ALA H . . A . 91 LYS HB3 . . . 51 ALA HN . . . . . 91 LYS+ QB . . rr_1k3h 1 611 2 OR . 1 1 30 30 ALA H H . . . 1 1 70 70 LYS HB2 H . . . . . . . 6.38 . . . . . A . 51 ALA H . . A . 91 LYS HB2 . . . 51 ALA HN . . . . . 91 LYS+ QB . . rr_1k3h 1 612 1 . . 1 1 30 30 ALA HA H . . . 1 1 32 32 ALA H H . . . . . . . 4.66 . . . . . A . 51 ALA HA . . A . 53 ALA H . . . 51 ALA HA . . . . . 53 ALA HN . . rr_1k3h 1 613 1 . . 1 1 30 30 ALA HA H . . . 1 1 33 33 ASN H H . . . . . . . 4.51 . . . . . A . 51 ALA HA . . A . 54 ASN H . . . 51 ALA HA . . . . . 54 ASN HN . . rr_1k3h 1 614 1 OR . 1 1 30 30 ALA HA H . . . 1 1 33 33 ASN HB2 H . . . . . . . 5.33 . . . . . A . 51 ALA HA . . A . 54 ASN HB2 . . . 51 ALA HA . . . . . 54 ASN QB . . rr_1k3h 1 614 2 OR . 1 1 30 30 ALA HA H . . . 1 1 33 33 ASN HB3 H . . . . . . . 5.33 . . . . . A . 51 ALA HA . . A . 54 ASN HB3 . . . 51 ALA HA . . . . . 54 ASN QB . . rr_1k3h 1 615 1 . . 1 1 30 30 ALA HA H . . . 1 1 33 33 ASN HD21 H . . . . . . . 5.50 . . . . . A . 51 ALA HA . . A . 54 ASN HD21 . . . 51 ALA HA . . . . . 54 ASN HD21 . . rr_1k3h 1 616 1 . . 1 1 30 30 ALA HA H . . . 1 1 33 33 ASN HD22 H . . . . . . . 5.50 . . . . . A . 51 ALA HA . . A . 54 ASN HD22 . . . 51 ALA HA . . . . . 54 ASN HD22 . . rr_1k3h 1 617 1 OR . 1 1 30 30 ALA HA H . . . 1 1 34 34 TYR HD1 H . . . . . . . 7.64 . . . . . A . 51 ALA HA . . A . 55 TYR HD1 . . . 51 ALA HA . . . . . 55 TYR QD . . rr_1k3h 1 617 2 OR . 1 1 30 30 ALA HA H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 51 ALA HA . . A . 55 TYR HD2 . . . 51 ALA HA . . . . . 55 TYR QD . . rr_1k3h 1 618 1 OR . 1 1 34 34 TYR HE1 H . . . 1 1 30 30 ALA HA H . . . . . . . 7.63 . . . . . A . 55 TYR HE1 . . A . 51 ALA HA . . . 55 TYR QE . . . . . 51 ALA HA . . rr_1k3h 1 618 2 OR . 1 1 30 30 ALA HA H . . . 1 1 34 34 TYR HE2 H . . . . . . . 7.63 . . . . . A . 51 ALA HA . . A . 55 TYR HE2 . . . 51 ALA HA . . . . . 55 TYR QE . . rr_1k3h 1 619 1 . . 1 1 30 30 ALA HA H . . . 1 1 39 39 ILE MD H . . . . . . . 6.53 . . . . . A . 51 ALA HA . . A . 60 ILE MD . . . 51 ALA HA . . . . . 60 ILE QD1 . . rr_1k3h 1 620 1 . . 1 1 30 30 ALA MB H . . . 1 1 31 31 GLY HA3 H . . . . . . . 6.53 . . . . . A . 51 ALA MB . . A . 52 GLY HA3 . . . 51 ALA QB . . . . . 52 GLY HA2 . . rr_1k3h 1 621 1 OR . 1 1 30 30 ALA MB H . . . 1 1 34 34 TYR HB3 H . . . . . . . 7.41 . . . . . A . 51 ALA MB . . A . 55 TYR HB3 . . . 51 ALA QB . . . . . 55 TYR QB . . rr_1k3h 1 621 2 OR . 1 1 30 30 ALA MB H . . . 1 1 34 34 TYR HB2 H . . . . . . . 7.41 . . . . . A . 51 ALA MB . . A . 55 TYR HB2 . . . 51 ALA QB . . . . . 55 TYR QB . . rr_1k3h 1 622 1 OR . 1 1 30 30 ALA MB H . . . 1 1 34 34 TYR HD1 H . . . . . . . 7.55 . . . . . A . 51 ALA MB . . A . 55 TYR HD1 . . . 51 ALA QB . . . . . 55 TYR QD . . rr_1k3h 1 622 2 OR . 1 1 30 30 ALA MB H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.55 . . . . . A . 51 ALA MB . . A . 55 TYR HD2 . . . 51 ALA QB . . . . . 55 TYR QD . . rr_1k3h 1 623 1 OR . 1 1 34 34 TYR HE1 H . . . 1 1 30 30 ALA MB H . . . . . . . 8.66 . . . . . A . 55 TYR HE1 . . A . 51 ALA MB . . . 55 TYR QE . . . . . 51 ALA QB . . rr_1k3h 1 623 2 OR . 1 1 30 30 ALA MB H . . . 1 1 34 34 TYR HE2 H . . . . . . . 8.66 . . . . . A . 51 ALA MB . . A . 55 TYR HE2 . . . 51 ALA QB . . . . . 55 TYR QE . . rr_1k3h 1 624 1 . . 1 1 30 30 ALA MB H . . . 1 1 39 39 ILE MG H . . . . . . . 7.56 . . . . . A . 51 ALA MB . . A . 60 ILE MG . . . 51 ALA QB . . . . . 60 ILE QG2 . . rr_1k3h 1 625 1 . . 1 1 30 30 ALA MB H . . . 1 1 39 39 ILE HG12 H . . . . . . . 6.53 . . . . . A . 51 ALA MB . . A . 60 ILE HG12 . . . 51 ALA QB . . . . . 60 ILE HG12 . . rr_1k3h 1 626 1 . . 1 1 30 30 ALA MB H . . . 1 1 39 39 ILE HG13 H . . . . . . . 6.53 . . . . . A . 51 ALA MB . . A . 60 ILE HG13 . . . 51 ALA QB . . . . . 60 ILE HG13 . . rr_1k3h 1 627 1 OR . 1 1 30 30 ALA MB H . . . 1 1 39 39 ILE HG13 H . . . . . . . 5.85 . . . . . A . 51 ALA MB . . A . 60 ILE HG13 . . . 51 ALA QB . . . . . 60 ILE QG1 . . rr_1k3h 1 627 2 OR . 1 1 30 30 ALA MB H . . . 1 1 39 39 ILE HG12 H . . . . . . . 5.85 . . . . . A . 51 ALA MB . . A . 60 ILE HG12 . . . 51 ALA QB . . . . . 60 ILE QG1 . . rr_1k3h 1 628 1 . . 1 1 30 30 ALA MB H . . . 1 1 39 39 ILE MD H . . . . . . . 6.01 . . . . . A . 51 ALA MB . . A . 60 ILE MD . . . 51 ALA QB . . . . . 60 ILE QD1 . . rr_1k3h 1 629 1 . . 1 1 30 30 ALA MB H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.06 . . . . . A . 51 ALA MB . . A . 88 LEU MD1 . . . 51 ALA QB . . . . . 88 LEU QD1 . . rr_1k3h 1 630 1 . . 1 1 30 30 ALA MB H . . . 1 1 67 67 LEU MD2 H . . . . . . . 7.06 . . . . . A . 51 ALA MB . . A . 88 LEU MD2 . . . 51 ALA QB . . . . . 88 LEU QD2 . . rr_1k3h 1 631 1 OR . 1 1 30 30 ALA MB H . . . 1 1 67 67 LEU MD1 H . . . . . . . 6.54 . . . . . A . 51 ALA MB . . A . 88 LEU MD1 . . . 51 ALA QB . . . . . 88 LEU QQD . . rr_1k3h 1 631 2 OR . 1 1 30 30 ALA MB H . . . 1 1 67 67 LEU MD2 H . . . . . . . 6.54 . . . . . A . 51 ALA MB . . A . 88 LEU MD2 . . . 51 ALA QB . . . . . 88 LEU QQD . . rr_1k3h 1 632 1 . . 1 1 31 31 GLY H H . . . 1 1 32 32 ALA H H . . . . . . . 3.89 . . . . . A . 52 GLY H . . A . 53 ALA H . . . 52 GLY HN . . . . . 53 ALA HN . . rr_1k3h 1 633 1 . . 1 1 31 31 GLY H H . . . 1 1 32 32 ALA MB H . . . . . . . 6.12 . . . . . A . 52 GLY H . . A . 53 ALA MB . . . 52 GLY HN . . . . . 53 ALA QB . . rr_1k3h 1 634 1 . . 1 1 31 31 GLY H H . . . 1 1 33 33 ASN H H . . . . . . . 5.50 . . . . . A . 52 GLY H . . A . 54 ASN H . . . 52 GLY HN . . . . . 54 ASN HN . . rr_1k3h 1 635 1 . . 1 1 39 39 ILE MD H . . . 1 1 31 31 GLY H H . . . . . . . 6.43 . . . . . A . 60 ILE MD . . A . 52 GLY H . . . 60 ILE QD1 . . . . . 52 GLY HN . . rr_1k3h 1 636 1 . . 1 1 31 31 GLY H H . . . 1 1 67 67 LEU MD1 H . . . . . . . 6.53 . . . . . A . 52 GLY H . . A . 88 LEU MD1 . . . 52 GLY HN . . . . . 88 LEU QD1 . . rr_1k3h 1 637 1 . . 1 1 67 67 LEU MD2 H . . . 1 1 31 31 GLY H H . . . . . . . 6.53 . . . . . A . 88 LEU MD2 . . A . 52 GLY H . . . 88 LEU QD2 . . . . . 52 GLY HN . . rr_1k3h 1 638 1 . . 1 1 31 31 GLY H H . . . 1 1 68 68 ALA HA H . . . . . . . 5.50 . . . . . A . 52 GLY H . . A . 89 ALA HA . . . 52 GLY HN . . . . . 89 ALA HA . . rr_1k3h 1 639 1 . . 1 1 31 31 GLY H H . . . 1 1 70 70 LYS H H . . . . . . . 4.82 . . . . . A . 52 GLY H . . A . 91 LYS H . . . 52 GLY HN . . . . . 91 LYS+ HN . . rr_1k3h 1 640 1 . . 1 1 31 31 GLY H H . . . 1 1 70 70 LYS HB2 H . . . . . . . 5.44 . . . . . A . 52 GLY H . . A . 91 LYS HB2 . . . 52 GLY HN . . . . . 91 LYS+ HB2 . . rr_1k3h 1 641 1 . . 1 1 31 31 GLY H H . . . 1 1 70 70 LYS HB3 H . . . . . . . 5.44 . . . . . A . 52 GLY H . . A . 91 LYS HB3 . . . 52 GLY HN . . . . . 91 LYS+ HB3 . . rr_1k3h 1 642 1 OR . 1 1 31 31 GLY H H . . . 1 1 70 70 LYS HB3 H . . . . . . . 5.30 . . . . . A . 52 GLY H . . A . 91 LYS HB3 . . . 52 GLY HN . . . . . 91 LYS+ QB . . rr_1k3h 1 642 2 OR . 1 1 31 31 GLY H H . . . 1 1 70 70 LYS HB2 H . . . . . . . 5.30 . . . . . A . 52 GLY H . . A . 91 LYS HB2 . . . 52 GLY HN . . . . . 91 LYS+ QB . . rr_1k3h 1 643 1 . . 1 1 31 31 GLY H H . . . 1 1 71 71 LYS HA H . . . . . . . 4.88 . . . . . A . 52 GLY H . . A . 92 LYS HA . . . 52 GLY HN . . . . . 92 LYS+ HA . . rr_1k3h 1 644 1 . . 1 1 33 33 ASN H H . . . 1 1 31 31 GLY HA2 H . . . . . . . 5.50 . . . . . A . 54 ASN H . . A . 52 GLY HA2 . . . 54 ASN HN . . . . . 52 GLY HA1 . . rr_1k3h 1 645 1 . . 1 1 31 31 GLY HA2 H . . . 1 1 34 34 TYR H H . . . . . . . 5.10 . . . . . A . 52 GLY HA2 . . A . 55 TYR H . . . 52 GLY HA1 . . . . . 55 TYR HN . . rr_1k3h 1 646 1 . . 1 1 39 39 ILE MD H . . . 1 1 31 31 GLY HA2 H . . . . . . . 4.85 . . . . . A . 60 ILE MD . . A . 52 GLY HA2 . . . 60 ILE QD1 . . . . . 52 GLY HA1 . . rr_1k3h 1 647 1 . . 1 1 68 68 ALA HA H . . . 1 1 31 31 GLY HA2 H . . . . . . . 4.85 . . . . . A . 89 ALA HA . . A . 52 GLY HA2 . . . 89 ALA HA . . . . . 52 GLY HA1 . . rr_1k3h 1 648 1 . . 1 1 33 33 ASN H H . . . 1 1 31 31 GLY HA3 H . . . . . . . 5.19 . . . . . A . 54 ASN H . . A . 52 GLY HA3 . . . 54 ASN HN . . . . . 52 GLY HA2 . . rr_1k3h 1 649 1 . . 1 1 31 31 GLY HA3 H . . . 1 1 69 69 GLU HA H . . . . . . . 5.50 . . . . . A . 52 GLY HA3 . . A . 90 GLU HA . . . 52 GLY HA2 . . . . . 90 GLU- HA . . rr_1k3h 1 650 1 . . 1 1 31 31 GLY HA3 H . . . 1 1 70 70 LYS H H . . . . . . . 4.60 . . . . . A . 52 GLY HA3 . . A . 91 LYS H . . . 52 GLY HA2 . . . . . 91 LYS+ HN . . rr_1k3h 1 651 1 . . 1 1 31 31 GLY HA3 H . . . 1 1 71 71 LYS HG2 H . . . . . . . 5.50 . . . . . A . 52 GLY HA3 . . A . 92 LYS HG2 . . . 52 GLY HA2 . . . . . 92 LYS+ HG2 . . rr_1k3h 1 652 1 . . 1 1 31 31 GLY HA3 H . . . 1 1 71 71 LYS HG3 H . . . . . . . 5.50 . . . . . A . 52 GLY HA3 . . A . 92 LYS HG3 . . . 52 GLY HA2 . . . . . 92 LYS+ HG3 . . rr_1k3h 1 653 1 OR . 1 1 31 31 GLY HA3 H . . . 1 1 71 71 LYS HE3 H . . . . . . . 6.38 . . . . . A . 52 GLY HA3 . . A . 92 LYS HE3 . . . 52 GLY HA2 . . . . . 92 LYS+ QE . . rr_1k3h 1 653 2 OR . 1 1 31 31 GLY HA3 H . . . 1 1 71 71 LYS HE2 H . . . . . . . 6.38 . . . . . A . 52 GLY HA3 . . A . 92 LYS HE2 . . . 52 GLY HA2 . . . . . 92 LYS+ QE . . rr_1k3h 1 654 1 . . 1 1 32 32 ALA H H . . . 1 1 32 32 ALA MB H . . . . . . . 3.61 . . . . . A . 53 ALA H . . A . 53 ALA MB . . . 53 ALA HN . . . . . 53 ALA QB . . rr_1k3h 1 655 1 . . 1 1 32 32 ALA H H . . . 1 1 33 33 ASN H H . . . . . . . 3.67 . . . . . A . 53 ALA H . . A . 54 ASN H . . . 53 ALA HN . . . . . 54 ASN HN . . rr_1k3h 1 656 1 . . 1 1 32 32 ALA H H . . . 1 1 71 71 LYS HA H . . . . . . . 4.82 . . . . . A . 53 ALA H . . A . 92 LYS HA . . . 53 ALA HN . . . . . 92 LYS+ HA . . rr_1k3h 1 657 1 OR . 1 1 32 32 ALA H H . . . 1 1 71 71 LYS HB3 H . . . . . . . 6.38 . . . . . A . 53 ALA H . . A . 92 LYS HB3 . . . 53 ALA HN . . . . . 92 LYS+ QB . . rr_1k3h 1 657 2 OR . 1 1 32 32 ALA H H . . . 1 1 71 71 LYS HB2 H . . . . . . . 6.38 . . . . . A . 53 ALA H . . A . 92 LYS HB2 . . . 53 ALA HN . . . . . 92 LYS+ QB . . rr_1k3h 1 658 1 OR . 1 1 32 32 ALA H H . . . 1 1 71 71 LYS HG3 H . . . . . . . 6.38 . . . . . A . 53 ALA H . . A . 92 LYS HG3 . . . 53 ALA HN . . . . . 92 LYS+ QG . . rr_1k3h 1 658 2 OR . 1 1 32 32 ALA H H . . . 1 1 71 71 LYS HG2 H . . . . . . . 6.38 . . . . . A . 53 ALA H . . A . 92 LYS HG2 . . . 53 ALA HN . . . . . 92 LYS+ QG . . rr_1k3h 1 659 1 OR . 1 1 32 32 ALA HA H . . . 1 1 71 71 LYS HB3 H . . . . . . . 6.38 . . . . . A . 53 ALA HA . . A . 92 LYS HB3 . . . 53 ALA HA . . . . . 92 LYS+ QB . . rr_1k3h 1 659 2 OR . 1 1 71 71 LYS HB2 H . . . 1 1 32 32 ALA HA H . . . . . . . 6.38 . . . . . A . 92 LYS HB2 . . A . 53 ALA HA . . . 92 LYS+ QB . . . . . 53 ALA HA . . rr_1k3h 1 660 1 OR . 1 1 32 32 ALA HA H . . . 1 1 71 71 LYS HG3 H . . . . . . . 6.01 . . . . . A . 53 ALA HA . . A . 92 LYS HG3 . . . 53 ALA HA . . . . . 92 LYS+ QG . . rr_1k3h 1 660 2 OR . 1 1 71 71 LYS HG2 H . . . 1 1 32 32 ALA HA H . . . . . . . 6.01 . . . . . A . 92 LYS HG2 . . A . 53 ALA HA . . . 92 LYS+ QG . . . . . 53 ALA HA . . rr_1k3h 1 661 1 OR . 1 1 32 32 ALA HA H . . . 1 1 71 71 LYS HE3 H . . . . . . . 6.38 . . . . . A . 53 ALA HA . . A . 92 LYS HE3 . . . 53 ALA HA . . . . . 92 LYS+ QE . . rr_1k3h 1 661 2 OR . 1 1 71 71 LYS HE2 H . . . 1 1 32 32 ALA HA H . . . . . . . 6.38 . . . . . A . 92 LYS HE2 . . A . 53 ALA HA . . . 92 LYS+ QE . . . . . 53 ALA HA . . rr_1k3h 1 662 1 . . 1 1 32 32 ALA MB H . . . 1 1 33 33 ASN HA H . . . . . . . 6.25 . . . . . A . 53 ALA MB . . A . 54 ASN HA . . . 53 ALA QB . . . . . 54 ASN HA . . rr_1k3h 1 663 1 OR . 1 1 32 32 ALA MB H . . . 1 1 33 33 ASN HB2 H . . . . . . . 7.41 . . . . . A . 53 ALA MB . . A . 54 ASN HB2 . . . 53 ALA QB . . . . . 54 ASN QB . . rr_1k3h 1 663 2 OR . 1 1 33 33 ASN HB3 H . . . 1 1 32 32 ALA MB H . . . . . . . 7.41 . . . . . A . 54 ASN HB3 . . A . 53 ALA MB . . . 54 ASN QB . . . . . 53 ALA QB . . rr_1k3h 1 664 1 . . 1 1 33 33 ASN HD21 H . . . 1 1 32 32 ALA MB H . . . . . . . 6.53 . . . . . A . 54 ASN HD21 . . A . 53 ALA MB . . . 54 ASN HD21 . . . . . 53 ALA QB . . rr_1k3h 1 665 1 . . 1 1 33 33 ASN HD22 H . . . 1 1 32 32 ALA MB H . . . . . . . 6.53 . . . . . A . 54 ASN HD22 . . A . 53 ALA MB . . . 54 ASN HD22 . . . . . 53 ALA QB . . rr_1k3h 1 666 1 . . 1 1 33 33 ASN H H . . . 1 1 33 33 ASN HB2 H . . . . . . . 3.92 . . . . . A . 54 ASN H . . A . 54 ASN HB2 . . . 54 ASN HN . . . . . 54 ASN HB2 . . rr_1k3h 1 667 1 . . 1 1 33 33 ASN H H . . . 1 1 33 33 ASN HB3 H . . . . . . . 3.92 . . . . . A . 54 ASN H . . A . 54 ASN HB3 . . . 54 ASN HN . . . . . 54 ASN HB3 . . rr_1k3h 1 668 1 OR . 1 1 33 33 ASN H H . . . 1 1 33 33 ASN HB2 H . . . . . . . 3.74 . . . . . A . 54 ASN H . . A . 54 ASN HB2 . . . 54 ASN HN . . . . . 54 ASN QB . . rr_1k3h 1 668 2 OR . 1 1 33 33 ASN H H . . . 1 1 33 33 ASN HB3 H . . . . . . . 3.74 . . . . . A . 54 ASN H . . A . 54 ASN HB3 . . . 54 ASN HN . . . . . 54 ASN QB . . rr_1k3h 1 669 1 OR . 1 1 33 33 ASN H H . . . 1 1 33 33 ASN HD21 H . . . . . . . 6.37 . . . . . A . 54 ASN H . . A . 54 ASN HD21 . . . 54 ASN HN . . . . . 54 ASN QD2 . . rr_1k3h 1 669 2 OR . 1 1 33 33 ASN H H . . . 1 1 33 33 ASN HD22 H . . . . . . . 6.37 . . . . . A . 54 ASN H . . A . 54 ASN HD22 . . . 54 ASN HN . . . . . 54 ASN QD2 . . rr_1k3h 1 670 1 . . 1 1 33 33 ASN H H . . . 1 1 34 34 TYR H H . . . . . . . 3.08 . . . . . A . 54 ASN H . . A . 55 TYR H . . . 54 ASN HN . . . . . 55 TYR HN . . rr_1k3h 1 671 1 OR . 1 1 33 33 ASN H H . . . 1 1 34 34 TYR HB3 H . . . . . . . 6.26 . . . . . A . 54 ASN H . . A . 55 TYR HB3 . . . 54 ASN HN . . . . . 55 TYR QB . . rr_1k3h 1 671 2 OR . 1 1 34 34 TYR HB2 H . . . 1 1 33 33 ASN H H . . . . . . . 6.26 . . . . . A . 55 TYR HB2 . . A . 54 ASN H . . . 55 TYR QB . . . . . 54 ASN HN . . rr_1k3h 1 672 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 33 33 ASN H H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 54 ASN H . . . 55 TYR QD . . . . . 54 ASN HN . . rr_1k3h 1 672 2 OR . 1 1 33 33 ASN H H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 54 ASN H . . A . 55 TYR HD2 . . . 54 ASN HN . . . . . 55 TYR QD . . rr_1k3h 1 673 1 OR . 1 1 34 34 TYR HE1 H . . . 1 1 33 33 ASN H H . . . . . . . 7.63 . . . . . A . 55 TYR HE1 . . A . 54 ASN H . . . 55 TYR QE . . . . . 54 ASN HN . . rr_1k3h 1 673 2 OR . 1 1 33 33 ASN H H . . . 1 1 34 34 TYR HE2 H . . . . . . . 7.63 . . . . . A . 54 ASN H . . A . 55 TYR HE2 . . . 54 ASN HN . . . . . 55 TYR QE . . rr_1k3h 1 674 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 33 33 ASN HA H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 54 ASN HA . . . 55 TYR QD . . . . . 54 ASN HA . . rr_1k3h 1 674 2 OR . 1 1 33 33 ASN HA H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 54 ASN HA . . A . 55 TYR HD2 . . . 54 ASN HA . . . . . 55 TYR QD . . rr_1k3h 1 675 1 . . 1 1 34 34 TYR H H . . . 1 1 33 33 ASN HB2 H . . . . . . . 4.54 . . . . . A . 55 TYR H . . A . 54 ASN HB2 . . . 55 TYR HN . . . . . 54 ASN HB2 . . rr_1k3h 1 676 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 33 33 ASN HB2 H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 54 ASN HB2 . . . 55 TYR QD . . . . . 54 ASN HB2 . . rr_1k3h 1 676 2 OR . 1 1 33 33 ASN HB2 H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 54 ASN HB2 . . A . 55 TYR HD2 . . . 54 ASN HB2 . . . . . 55 TYR QD . . rr_1k3h 1 677 1 OR . 1 1 34 34 TYR HE1 H . . . 1 1 33 33 ASN HB2 H . . . . . . . 7.63 . . . . . A . 55 TYR HE1 . . A . 54 ASN HB2 . . . 55 TYR QE . . . . . 54 ASN HB2 . . rr_1k3h 1 677 2 OR . 1 1 33 33 ASN HB2 H . . . 1 1 34 34 TYR HE2 H . . . . . . . 7.63 . . . . . A . 54 ASN HB2 . . A . 55 TYR HE2 . . . 54 ASN HB2 . . . . . 55 TYR QE . . rr_1k3h 1 678 1 . . 1 1 33 33 ASN HB3 H . . . 1 1 34 34 TYR H H . . . . . . . 4.54 . . . . . A . 54 ASN HB3 . . A . 55 TYR H . . . 54 ASN HB3 . . . . . 55 TYR HN . . rr_1k3h 1 679 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 33 33 ASN HB3 H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 54 ASN HB3 . . . 55 TYR QD . . . . . 54 ASN HB3 . . rr_1k3h 1 679 2 OR . 1 1 33 33 ASN HB3 H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 54 ASN HB3 . . A . 55 TYR HD2 . . . 54 ASN HB3 . . . . . 55 TYR QD . . rr_1k3h 1 680 1 OR . 1 1 34 34 TYR HE1 H . . . 1 1 33 33 ASN HB3 H . . . . . . . 7.63 . . . . . A . 55 TYR HE1 . . A . 54 ASN HB3 . . . 55 TYR QE . . . . . 54 ASN HB3 . . rr_1k3h 1 680 2 OR . 1 1 33 33 ASN HB3 H . . . 1 1 34 34 TYR HE2 H . . . . . . . 7.63 . . . . . A . 54 ASN HB3 . . A . 55 TYR HE2 . . . 54 ASN HB3 . . . . . 55 TYR QE . . rr_1k3h 1 681 1 OR . 1 1 34 34 TYR H H . . . 1 1 33 33 ASN HB2 H . . . . . . . 4.34 . . . . . A . 55 TYR H . . A . 54 ASN HB2 . . . 55 TYR HN . . . . . 54 ASN QB . . rr_1k3h 1 681 2 OR . 1 1 33 33 ASN HB3 H . . . 1 1 34 34 TYR H H . . . . . . . 4.34 . . . . . A . 54 ASN HB3 . . A . 55 TYR H . . . 54 ASN QB . . . . . 55 TYR HN . . rr_1k3h 1 682 1 OR . 1 1 33 33 ASN HB3 H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.51 . . . . . A . 54 ASN HB3 . . A . 55 TYR HD2 . . . 54 ASN QB . . . . . 55 TYR QD . . rr_1k3h 1 682 2 OR . 1 1 34 34 TYR HD1 H . . . 1 1 33 33 ASN HB2 H . . . . . . . 7.51 . . . . . A . 55 TYR HD1 . . A . 54 ASN HB2 . . . 55 TYR QD . . . . . 54 ASN QB . . rr_1k3h 1 682 3 OR . 1 1 33 33 ASN HB2 H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.51 . . . . . A . 54 ASN HB2 . . A . 55 TYR HD2 . . . 54 ASN QB . . . . . 55 TYR QD . . rr_1k3h 1 682 4 OR . 1 1 34 34 TYR HD1 H . . . 1 1 33 33 ASN HB3 H . . . . . . . 7.51 . . . . . A . 55 TYR HD1 . . A . 54 ASN HB3 . . . 55 TYR QD . . . . . 54 ASN QB . . rr_1k3h 1 683 1 . . 1 1 34 34 TYR HB2 H . . . 1 1 34 34 TYR H H . . . . . . . 4.07 . . . . . A . 55 TYR HB2 . . A . 55 TYR H . . . 55 TYR HB2 . . . . . 55 TYR HN . . rr_1k3h 1 684 1 . . 1 1 34 34 TYR H H . . . 1 1 34 34 TYR HB3 H . . . . . . . 4.07 . . . . . A . 55 TYR H . . A . 55 TYR HB3 . . . 55 TYR HN . . . . . 55 TYR HB3 . . rr_1k3h 1 685 1 OR . 1 1 34 34 TYR H H . . . 1 1 34 34 TYR HB3 H . . . . . . . 3.79 . . . . . A . 55 TYR H . . A . 55 TYR HB3 . . . 55 TYR HN . . . . . 55 TYR QB . . rr_1k3h 1 685 2 OR . 1 1 34 34 TYR HB2 H . . . 1 1 34 34 TYR H H . . . . . . . 3.79 . . . . . A . 55 TYR HB2 . . A . 55 TYR H . . . 55 TYR QB . . . . . 55 TYR HN . . rr_1k3h 1 686 1 . . 1 1 39 39 ILE MD H . . . 1 1 34 34 TYR H H . . . . . . . 5.88 . . . . . A . 60 ILE MD . . A . 55 TYR H . . . 60 ILE QD1 . . . . . 55 TYR HN . . rr_1k3h 1 687 1 . . 1 1 34 34 TYR HA H . . . 1 1 35 35 SER H H . . . . . . . 3.17 . . . . . A . 55 TYR HA . . A . 56 SER H . . . 55 TYR HA . . . . . 56 SER HN . . rr_1k3h 1 688 1 . . 1 1 34 34 TYR HA H . . . 1 1 38 38 GLU HB2 H . . . . . . . 4.57 . . . . . A . 55 TYR HA . . A . 59 GLU HB2 . . . 55 TYR HA . . . . . 59 GLU- HB2 . . rr_1k3h 1 689 1 . . 1 1 34 34 TYR HA H . . . 1 1 38 38 GLU HB3 H . . . . . . . 4.76 . . . . . A . 55 TYR HA . . A . 59 GLU HB3 . . . 55 TYR HA . . . . . 59 GLU- HB3 . . rr_1k3h 1 690 1 . . 1 1 34 34 TYR HA H . . . 1 1 38 38 GLU HG2 H . . . . . . . 5.50 . . . . . A . 55 TYR HA . . A . 59 GLU HG2 . . . 55 TYR HA . . . . . 59 GLU- HG2 . . rr_1k3h 1 691 1 . . 1 1 34 34 TYR HA H . . . 1 1 38 38 GLU HG3 H . . . . . . . 5.50 . . . . . A . 55 TYR HA . . A . 59 GLU HG3 . . . 55 TYR HA . . . . . 59 GLU- HG3 . . rr_1k3h 1 692 1 . . 1 1 34 34 TYR HB2 H . . . 1 1 35 35 SER H H . . . . . . . 4.38 . . . . . A . 55 TYR HB2 . . A . 56 SER H . . . 55 TYR HB2 . . . . . 56 SER HN . . rr_1k3h 1 693 1 . . 1 1 34 34 TYR HB2 H . . . 1 1 38 38 GLU HG2 H . . . . . . . 7.25 . . . . . A . 55 TYR HB2 . . A . 59 GLU HG2 . . . 55 TYR HB2 . . . . . 59 GLU- HG2 . . rr_1k3h 1 694 1 . . 1 1 34 34 TYR HB2 H . . . 1 1 38 38 GLU HG3 H . . . . . . . 7.25 . . . . . A . 55 TYR HB2 . . A . 59 GLU HG3 . . . 55 TYR HB2 . . . . . 59 GLU- HG3 . . rr_1k3h 1 695 1 . . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE H H . . . . . . . 5.50 . . . . . A . 55 TYR HB2 . . A . 60 ILE H . . . 55 TYR HB2 . . . . . 60 ILE HN . . rr_1k3h 1 696 1 . . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE HB H . . . . . . . 5.50 . . . . . A . 55 TYR HB2 . . A . 60 ILE HB . . . 55 TYR HB2 . . . . . 60 ILE HB . . rr_1k3h 1 697 1 . . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE HG12 H . . . . . . . 5.00 . . . . . A . 55 TYR HB2 . . A . 60 ILE HG12 . . . 55 TYR HB2 . . . . . 60 ILE HG12 . . rr_1k3h 1 698 1 . . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE HG13 H . . . . . . . 5.00 . . . . . A . 55 TYR HB2 . . A . 60 ILE HG13 . . . 55 TYR HB2 . . . . . 60 ILE HG13 . . rr_1k3h 1 699 1 . . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE MD H . . . . . . . 5.63 . . . . . A . 55 TYR HB2 . . A . 60 ILE MD . . . 55 TYR HB2 . . . . . 60 ILE QD1 . . rr_1k3h 1 700 1 . . 1 1 35 35 SER H H . . . 1 1 34 34 TYR HB3 H . . . . . . . 4.38 . . . . . A . 56 SER H . . A . 55 TYR HB3 . . . 56 SER HN . . . . . 55 TYR HB3 . . rr_1k3h 1 701 1 . . 1 1 34 34 TYR HB3 H . . . 1 1 38 38 GLU HG2 H . . . . . . . 7.25 . . . . . A . 55 TYR HB3 . . A . 59 GLU HG2 . . . 55 TYR HB3 . . . . . 59 GLU- HG2 . . rr_1k3h 1 702 1 . . 1 1 38 38 GLU HG3 H . . . 1 1 34 34 TYR HB3 H . . . . . . . 7.25 . . . . . A . 59 GLU HG3 . . A . 55 TYR HB3 . . . 59 GLU- HG3 . . . . . 55 TYR HB3 . . rr_1k3h 1 703 1 . . 1 1 39 39 ILE H H . . . 1 1 34 34 TYR HB3 H . . . . . . . 5.50 . . . . . A . 60 ILE H . . A . 55 TYR HB3 . . . 60 ILE HN . . . . . 55 TYR HB3 . . rr_1k3h 1 704 1 . . 1 1 39 39 ILE HB H . . . 1 1 34 34 TYR HB3 H . . . . . . . 5.50 . . . . . A . 60 ILE HB . . A . 55 TYR HB3 . . . 60 ILE HB . . . . . 55 TYR HB3 . . rr_1k3h 1 705 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 34 34 TYR HB3 H . . . . . . . 5.00 . . . . . A . 60 ILE HG12 . . A . 55 TYR HB3 . . . 60 ILE HG12 . . . . . 55 TYR HB3 . . rr_1k3h 1 706 1 . . 1 1 34 34 TYR HB3 H . . . 1 1 39 39 ILE HG13 H . . . . . . . 5.00 . . . . . A . 55 TYR HB3 . . A . 60 ILE HG13 . . . 55 TYR HB3 . . . . . 60 ILE HG13 . . rr_1k3h 1 707 1 . . 1 1 39 39 ILE MD H . . . 1 1 34 34 TYR HB3 H . . . . . . . 5.63 . . . . . A . 60 ILE MD . . A . 55 TYR HB3 . . . 60 ILE QD1 . . . . . 55 TYR HB3 . . rr_1k3h 1 708 1 OR . 1 1 35 35 SER H H . . . 1 1 34 34 TYR HB3 H . . . . . . . 4.05 . . . . . A . 56 SER H . . A . 55 TYR HB3 . . . 56 SER HN . . . . . 55 TYR QB . . rr_1k3h 1 708 2 OR . 1 1 34 34 TYR HB2 H . . . 1 1 35 35 SER H H . . . . . . . 4.05 . . . . . A . 55 TYR HB2 . . A . 56 SER H . . . 55 TYR QB . . . . . 56 SER HN . . rr_1k3h 1 709 1 OR . 1 1 38 38 GLU HB2 H . . . 1 1 34 34 TYR HB3 H . . . . . . . 4.52 . . . . . A . 59 GLU HB2 . . A . 55 TYR HB3 . . . 59 GLU- HB2 . . . . . 55 TYR QB . . rr_1k3h 1 709 2 OR . 1 1 34 34 TYR HB2 H . . . 1 1 38 38 GLU HB2 H . . . . . . . 4.52 . . . . . A . 55 TYR HB2 . . A . 59 GLU HB2 . . . 55 TYR QB . . . . . 59 GLU- HB2 . . rr_1k3h 1 710 1 OR . 1 1 38 38 GLU HB3 H . . . 1 1 34 34 TYR HB3 H . . . . . . . 5.39 . . . . . A . 59 GLU HB3 . . A . 55 TYR HB3 . . . 59 GLU- HB3 . . . . . 55 TYR QB . . rr_1k3h 1 710 2 OR . 1 1 34 34 TYR HB2 H . . . 1 1 38 38 GLU HB3 H . . . . . . . 5.39 . . . . . A . 55 TYR HB2 . . A . 59 GLU HB3 . . . 55 TYR QB . . . . . 59 GLU- HB3 . . rr_1k3h 1 711 1 OR . 1 1 34 34 TYR HB2 H . . . 1 1 38 38 GLU HG2 H . . . . . . . 6.19 . . . . . A . 55 TYR HB2 . . A . 59 GLU HG2 . . . 55 TYR QB . . . . . 59 GLU- QG . . rr_1k3h 1 711 2 OR . 1 1 34 34 TYR HB3 H . . . 1 1 38 38 GLU HG2 H . . . . . . . 6.19 . . . . . A . 55 TYR HB3 . . A . 59 GLU HG2 . . . 55 TYR QB . . . . . 59 GLU- QG . . rr_1k3h 1 711 3 OR . 1 1 38 38 GLU HG3 H . . . 1 1 34 34 TYR HB3 H . . . . . . . 6.19 . . . . . A . 59 GLU HG3 . . A . 55 TYR HB3 . . . 59 GLU- QG . . . . . 55 TYR QB . . rr_1k3h 1 711 4 OR . 1 1 34 34 TYR HB2 H . . . 1 1 38 38 GLU HG3 H . . . . . . . 6.19 . . . . . A . 55 TYR HB2 . . A . 59 GLU HG3 . . . 55 TYR QB . . . . . 59 GLU- QG . . rr_1k3h 1 712 1 OR . 1 1 39 39 ILE H H . . . 1 1 34 34 TYR HB3 H . . . . . . . 5.29 . . . . . A . 60 ILE H . . A . 55 TYR HB3 . . . 60 ILE HN . . . . . 55 TYR QB . . rr_1k3h 1 712 2 OR . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE H H . . . . . . . 5.29 . . . . . A . 55 TYR HB2 . . A . 60 ILE H . . . 55 TYR QB . . . . . 60 ILE HN . . rr_1k3h 1 713 1 OR . 1 1 39 39 ILE HB H . . . 1 1 34 34 TYR HB3 H . . . . . . . 5.18 . . . . . A . 60 ILE HB . . A . 55 TYR HB3 . . . 60 ILE HB . . . . . 55 TYR QB . . rr_1k3h 1 713 2 OR . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE HB H . . . . . . . 5.18 . . . . . A . 55 TYR HB2 . . A . 60 ILE HB . . . 55 TYR QB . . . . . 60 ILE HB . . rr_1k3h 1 714 1 OR . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE HG13 H . . . . . . . 4.08 . . . . . A . 55 TYR HB2 . . A . 60 ILE HG13 . . . 55 TYR QB . . . . . 60 ILE QG1 . . rr_1k3h 1 714 2 OR . 1 1 34 34 TYR HB3 H . . . 1 1 39 39 ILE HG13 H . . . . . . . 4.08 . . . . . A . 55 TYR HB3 . . A . 60 ILE HG13 . . . 55 TYR QB . . . . . 60 ILE QG1 . . rr_1k3h 1 714 3 OR . 1 1 39 39 ILE HG12 H . . . 1 1 34 34 TYR HB3 H . . . . . . . 4.08 . . . . . A . 60 ILE HG12 . . A . 55 TYR HB3 . . . 60 ILE QG1 . . . . . 55 TYR QB . . rr_1k3h 1 714 4 OR . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE HG12 H . . . . . . . 4.08 . . . . . A . 55 TYR HB2 . . A . 60 ILE HG12 . . . 55 TYR QB . . . . . 60 ILE QG1 . . rr_1k3h 1 715 1 OR . 1 1 39 39 ILE MD H . . . 1 1 34 34 TYR HB3 H . . . . . . . 4.98 . . . . . A . 60 ILE MD . . A . 55 TYR HB3 . . . 60 ILE QD1 . . . . . 55 TYR QB . . rr_1k3h 1 715 2 OR . 1 1 34 34 TYR HB2 H . . . 1 1 39 39 ILE MD H . . . . . . . 4.98 . . . . . A . 55 TYR HB2 . . A . 60 ILE MD . . . 55 TYR QB . . . . . 60 ILE QD1 . . rr_1k3h 1 716 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 35 35 SER H H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 56 SER H . . . 55 TYR QD . . . . . 56 SER HN . . rr_1k3h 1 716 2 OR . 1 1 35 35 SER H H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 56 SER H . . A . 55 TYR HD2 . . . 56 SER HN . . . . . 55 TYR QD . . rr_1k3h 1 717 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 38 38 GLU HA H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 59 GLU HA . . . 55 TYR QD . . . . . 59 GLU- HA . . rr_1k3h 1 717 2 OR . 1 1 38 38 GLU HA H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 59 GLU HA . . A . 55 TYR HD2 . . . 59 GLU- HA . . . . . 55 TYR QD . . rr_1k3h 1 718 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 38 38 GLU HB2 H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 59 GLU HB2 . . . 55 TYR QD . . . . . 59 GLU- HB2 . . rr_1k3h 1 718 2 OR . 1 1 38 38 GLU HB2 H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 59 GLU HB2 . . A . 55 TYR HD2 . . . 59 GLU- HB2 . . . . . 55 TYR QD . . rr_1k3h 1 719 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 38 38 GLU HB3 H . . . . . . . 6.55 . . . . . A . 55 TYR HD1 . . A . 59 GLU HB3 . . . 55 TYR QD . . . . . 59 GLU- HB3 . . rr_1k3h 1 719 2 OR . 1 1 38 38 GLU HB3 H . . . 1 1 34 34 TYR HD2 H . . . . . . . 6.55 . . . . . A . 59 GLU HB3 . . A . 55 TYR HD2 . . . 59 GLU- HB3 . . . . . 55 TYR QD . . rr_1k3h 1 720 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 38 38 GLU HG2 H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 59 GLU HG2 . . . 55 TYR QD . . . . . 59 GLU- HG2 . . rr_1k3h 1 720 2 OR . 1 1 34 34 TYR HD2 H . . . 1 1 38 38 GLU HG2 H . . . . . . . 7.64 . . . . . A . 55 TYR HD2 . . A . 59 GLU HG2 . . . 55 TYR QD . . . . . 59 GLU- HG2 . . rr_1k3h 1 721 1 OR . 1 1 38 38 GLU HG3 H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 59 GLU HG3 . . A . 55 TYR HD2 . . . 59 GLU- HG3 . . . . . 55 TYR QD . . rr_1k3h 1 721 2 OR . 1 1 34 34 TYR HD1 H . . . 1 1 38 38 GLU HG3 H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 59 GLU HG3 . . . 55 TYR QD . . . . . 59 GLU- HG3 . . rr_1k3h 1 722 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 39 39 ILE H H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 60 ILE H . . . 55 TYR QD . . . . . 60 ILE HN . . rr_1k3h 1 722 2 OR . 1 1 39 39 ILE H H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 60 ILE H . . A . 55 TYR HD2 . . . 60 ILE HN . . . . . 55 TYR QD . . rr_1k3h 1 723 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 39 39 ILE HG12 H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 60 ILE HG12 . . . 55 TYR QD . . . . . 60 ILE HG12 . . rr_1k3h 1 723 2 OR . 1 1 39 39 ILE HG12 H . . . 1 1 34 34 TYR HD2 H . . . . . . . 7.64 . . . . . A . 60 ILE HG12 . . A . 55 TYR HD2 . . . 60 ILE HG12 . . . . . 55 TYR QD . . rr_1k3h 1 724 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 39 39 ILE HG13 H . . . . . . . 7.64 . . . . . A . 55 TYR HD1 . . A . 60 ILE HG13 . . . 55 TYR QD . . . . . 60 ILE HG13 . . rr_1k3h 1 724 2 OR . 1 1 34 34 TYR HD2 H . . . 1 1 39 39 ILE HG13 H . . . . . . . 7.64 . . . . . A . 55 TYR HD2 . . A . 60 ILE HG13 . . . 55 TYR QD . . . . . 60 ILE HG13 . . rr_1k3h 1 725 1 OR . 1 1 34 34 TYR HD1 H . . . 1 1 39 39 ILE MD H . . . . . . . 8.39 . . . . . A . 55 TYR HD1 . . A . 60 ILE MD . . . 55 TYR QD . . . . . 60 ILE QD1 . . rr_1k3h 1 725 2 OR . 1 1 39 39 ILE MD H . . . 1 1 34 34 TYR HD2 H . . . . . . . 8.39 . . . . . A . 60 ILE MD . . A . 55 TYR HD2 . . . 60 ILE QD1 . . . . . 55 TYR QD . . rr_1k3h 1 726 1 OR . 1 1 42 42 ILE MD H . . . 1 1 34 34 TYR HD1 H . . . . . . . 8.33 . . . . . A . 63 ILE MD . . A . 55 TYR HD1 . . . 63 ILE QD1 . . . . . 55 TYR QD . . rr_1k3h 1 726 2 OR . 1 1 42 42 ILE MD H . . . 1 1 34 34 TYR HD2 H . . . . . . . 8.33 . . . . . A . 63 ILE MD . . A . 55 TYR HD2 . . . 63 ILE QD1 . . . . . 55 TYR QD . . rr_1k3h 1 727 1 OR . 1 1 34 34 TYR HE1 H . . . 1 1 35 35 SER H H . . . . . . . 7.63 . . . . . A . 55 TYR HE1 . . A . 56 SER H . . . 55 TYR QE . . . . . 56 SER HN . . rr_1k3h 1 727 2 OR . 1 1 35 35 SER H H . . . 1 1 34 34 TYR HE2 H . . . . . . . 7.63 . . . . . A . 56 SER H . . A . 55 TYR HE2 . . . 56 SER HN . . . . . 55 TYR QE . . rr_1k3h 1 728 1 OR . 1 1 34 34 TYR HE1 H . . . 1 1 38 38 GLU HB3 H . . . . . . . 7.63 . . . . . A . 55 TYR HE1 . . A . 59 GLU HB3 . . . 55 TYR QE . . . . . 59 GLU- HB3 . . rr_1k3h 1 728 2 OR . 1 1 38 38 GLU HB3 H . . . 1 1 34 34 TYR HE2 H . . . . . . . 7.63 . . . . . A . 59 GLU HB3 . . A . 55 TYR HE2 . . . 59 GLU- HB3 . . . . . 55 TYR QE . . rr_1k3h 1 729 1 OR . 1 1 34 34 TYR HE1 H . . . 1 1 42 42 ILE MD H . . . . . . . 7.42 . . . . . A . 55 TYR HE1 . . A . 63 ILE MD . . . 55 TYR QE . . . . . 63 ILE QD1 . . rr_1k3h 1 729 2 OR . 1 1 42 42 ILE MD H . . . 1 1 34 34 TYR HE2 H . . . . . . . 7.42 . . . . . A . 63 ILE MD . . A . 55 TYR HE2 . . . 63 ILE QD1 . . . . . 55 TYR QE . . rr_1k3h 1 730 1 . . 1 1 34 34 TYR HE1 H . . . 1 1 42 42 ILE MD H . . . . . . . 6.53 . . . . . A . 55 TYR HE1 . . A . 63 ILE MD . . . 55 TYR HE1 . . . . . 63 ILE QD1 . . rr_1k3h 1 731 1 OR . 1 1 35 35 SER H H . . . 1 1 35 35 SER HB3 H . . . . . . . 3.92 . . . . . A . 56 SER H . . A . 56 SER HB3 . . . 56 SER HN . . . . . 56 SER QB . . rr_1k3h 1 731 2 OR . 1 1 35 35 SER H H . . . 1 1 35 35 SER HB2 H . . . . . . . 3.92 . . . . . A . 56 SER H . . A . 56 SER HB2 . . . 56 SER HN . . . . . 56 SER QB . . rr_1k3h 1 732 1 . . 1 1 35 35 SER H H . . . 1 1 38 38 GLU H H . . . . . . . 4.35 . . . . . A . 56 SER H . . A . 59 GLU H . . . 56 SER HN . . . . . 59 GLU- HN . . rr_1k3h 1 733 1 . . 1 1 35 35 SER H H . . . 1 1 38 38 GLU HA H . . . . . . . 5.38 . . . . . A . 56 SER H . . A . 59 GLU HA . . . 56 SER HN . . . . . 59 GLU- HA . . rr_1k3h 1 734 1 . . 1 1 35 35 SER H H . . . 1 1 38 38 GLU HB2 H . . . . . . . 3.55 . . . . . A . 56 SER H . . A . 59 GLU HB2 . . . 56 SER HN . . . . . 59 GLU- HB2 . . rr_1k3h 1 735 1 . . 1 1 35 35 SER H H . . . 1 1 38 38 GLU HB3 H . . . . . . . 4.11 . . . . . A . 56 SER H . . A . 59 GLU HB3 . . . 56 SER HN . . . . . 59 GLU- HB3 . . rr_1k3h 1 736 1 . . 1 1 35 35 SER H H . . . 1 1 38 38 GLU HG2 H . . . . . . . 5.50 . . . . . A . 56 SER H . . A . 59 GLU HG2 . . . 56 SER HN . . . . . 59 GLU- HG2 . . rr_1k3h 1 737 1 . . 1 1 35 35 SER H H . . . 1 1 38 38 GLU HG3 H . . . . . . . 5.50 . . . . . A . 56 SER H . . A . 59 GLU HG3 . . . 56 SER HN . . . . . 59 GLU- HG3 . . rr_1k3h 1 738 1 . . 1 1 35 35 SER H H . . . 1 1 39 39 ILE H H . . . . . . . 5.04 . . . . . A . 56 SER H . . A . 60 ILE H . . . 56 SER HN . . . . . 60 ILE HN . . rr_1k3h 1 739 1 OR . 1 1 35 35 SER H H . . . 1 1 39 39 ILE HG13 H . . . . . . . 6.38 . . . . . A . 56 SER H . . A . 60 ILE HG13 . . . 56 SER HN . . . . . 60 ILE QG1 . . rr_1k3h 1 739 2 OR . 1 1 39 39 ILE HG12 H . . . 1 1 35 35 SER H H . . . . . . . 6.38 . . . . . A . 60 ILE HG12 . . A . 56 SER H . . . 60 ILE QG1 . . . . . 56 SER HN . . rr_1k3h 1 740 1 . . 1 1 35 35 SER HA H . . . 1 1 36 36 GLU H H . . . . . . . 3.27 . . . . . A . 56 SER HA . . A . 57 GLU H . . . 56 SER HA . . . . . 57 GLU- HN . . rr_1k3h 1 741 1 . . 1 1 35 35 SER HA H . . . 1 1 36 36 GLU HA H . . . . . . . 5.47 . . . . . A . 56 SER HA . . A . 57 GLU HA . . . 56 SER HA . . . . . 57 GLU- HA . . rr_1k3h 1 742 1 . . 1 1 35 35 SER HA H . . . 1 1 37 37 GLU H H . . . . . . . 5.19 . . . . . A . 56 SER HA . . A . 58 GLU H . . . 56 SER HA . . . . . 58 GLU- HN . . rr_1k3h 1 743 1 . . 1 1 39 39 ILE MD H . . . 1 1 35 35 SER HA H . . . . . . . 6.53 . . . . . A . 60 ILE MD . . A . 56 SER HA . . . 60 ILE QD1 . . . . . 56 SER HA . . rr_1k3h 1 744 1 . . 1 1 35 35 SER HB2 H . . . 1 1 36 36 GLU H H . . . . . . . 4.04 . . . . . A . 56 SER HB2 . . A . 57 GLU H . . . 56 SER HB2 . . . . . 57 GLU- HN . . rr_1k3h 1 745 1 . . 1 1 35 35 SER HB2 H . . . 1 1 37 37 GLU H H . . . . . . . 5.50 . . . . . A . 56 SER HB2 . . A . 58 GLU H . . . 56 SER HB2 . . . . . 58 GLU- HN . . rr_1k3h 1 746 1 . . 1 1 35 35 SER HB2 H . . . 1 1 38 38 GLU H H . . . . . . . 5.50 . . . . . A . 56 SER HB2 . . A . 59 GLU H . . . 56 SER HB2 . . . . . 59 GLU- HN . . rr_1k3h 1 747 1 . . 1 1 36 36 GLU H H . . . 1 1 35 35 SER HB3 H . . . . . . . 4.04 . . . . . A . 57 GLU H . . A . 56 SER HB3 . . . 57 GLU- HN . . . . . 56 SER HB3 . . rr_1k3h 1 748 1 . . 1 1 37 37 GLU H H . . . 1 1 35 35 SER HB3 H . . . . . . . 5.50 . . . . . A . 58 GLU H . . A . 56 SER HB3 . . . 58 GLU- HN . . . . . 56 SER HB3 . . rr_1k3h 1 749 1 . . 1 1 38 38 GLU H H . . . 1 1 35 35 SER HB3 H . . . . . . . 5.50 . . . . . A . 59 GLU H . . A . 56 SER HB3 . . . 59 GLU- HN . . . . . 56 SER HB3 . . rr_1k3h 1 750 1 OR . 1 1 36 36 GLU H H . . . 1 1 35 35 SER HB3 H . . . . . . . 3.77 . . . . . A . 57 GLU H . . A . 56 SER HB3 . . . 57 GLU- HN . . . . . 56 SER QB . . rr_1k3h 1 750 2 OR . 1 1 35 35 SER HB2 H . . . 1 1 36 36 GLU H H . . . . . . . 3.77 . . . . . A . 56 SER HB2 . . A . 57 GLU H . . . 56 SER QB . . . . . 57 GLU- HN . . rr_1k3h 1 751 1 OR . 1 1 37 37 GLU H H . . . 1 1 35 35 SER HB3 H . . . . . . . 4.85 . . . . . A . 58 GLU H . . A . 56 SER HB3 . . . 58 GLU- HN . . . . . 56 SER QB . . rr_1k3h 1 751 2 OR . 1 1 35 35 SER HB2 H . . . 1 1 37 37 GLU H H . . . . . . . 4.85 . . . . . A . 56 SER HB2 . . A . 58 GLU H . . . 56 SER QB . . . . . 58 GLU- HN . . rr_1k3h 1 752 1 OR . 1 1 38 38 GLU H H . . . 1 1 35 35 SER HB3 H . . . . . . . 4.80 . . . . . A . 59 GLU H . . A . 56 SER HB3 . . . 59 GLU- HN . . . . . 56 SER QB . . rr_1k3h 1 752 2 OR . 1 1 35 35 SER HB2 H . . . 1 1 38 38 GLU H H . . . . . . . 4.80 . . . . . A . 56 SER HB2 . . A . 59 GLU H . . . 56 SER QB . . . . . 59 GLU- HN . . rr_1k3h 1 753 1 OR . 1 1 36 36 GLU H H . . . 1 1 36 36 GLU HB2 H . . . . . . . 3.73 . . . . . A . 57 GLU H . . A . 57 GLU HB2 . . . 57 GLU- HN . . . . . 57 GLU- QB . . rr_1k3h 1 753 2 OR . 1 1 36 36 GLU H H . . . 1 1 36 36 GLU HB3 H . . . . . . . 3.73 . . . . . A . 57 GLU H . . A . 57 GLU HB3 . . . 57 GLU- HN . . . . . 57 GLU- QB . . rr_1k3h 1 754 1 OR . 1 1 36 36 GLU H H . . . 1 1 36 36 GLU HG2 H . . . . . . . 4.55 . . . . . A . 57 GLU H . . A . 57 GLU HG2 . . . 57 GLU- HN . . . . . 57 GLU- QG . . rr_1k3h 1 754 2 OR . 1 1 36 36 GLU H H . . . 1 1 36 36 GLU HG3 H . . . . . . . 4.55 . . . . . A . 57 GLU H . . A . 57 GLU HG3 . . . 57 GLU- HN . . . . . 57 GLU- QG . . rr_1k3h 1 755 1 . . 1 1 36 36 GLU H H . . . 1 1 37 37 GLU H H . . . . . . . 3.95 . . . . . A . 57 GLU H . . A . 58 GLU H . . . 57 GLU- HN . . . . . 58 GLU- HN . . rr_1k3h 1 756 1 OR . 1 1 36 36 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . . . 6.38 . . . . . A . 57 GLU H . . A . 58 GLU HB2 . . . 57 GLU- HN . . . . . 58 GLU- QB . . rr_1k3h 1 756 2 OR . 1 1 36 36 GLU H H . . . 1 1 37 37 GLU HB3 H . . . . . . . 6.38 . . . . . A . 57 GLU H . . A . 58 GLU HB3 . . . 57 GLU- HN . . . . . 58 GLU- QB . . rr_1k3h 1 757 1 . . 1 1 38 38 GLU H H . . . 1 1 36 36 GLU H H . . . . . . . 5.41 . . . . . A . 59 GLU H . . A . 57 GLU H . . . 59 GLU- HN . . . . . 57 GLU- HN . . rr_1k3h 1 758 1 . . 1 1 39 39 ILE H H . . . 1 1 36 36 GLU H H . . . . . . . 5.50 . . . . . A . 60 ILE H . . A . 57 GLU H . . . 60 ILE HN . . . . . 57 GLU- HN . . rr_1k3h 1 759 1 . . 1 1 39 39 ILE MD H . . . 1 1 36 36 GLU H H . . . . . . . 6.53 . . . . . A . 60 ILE MD . . A . 57 GLU H . . . 60 ILE QD1 . . . . . 57 GLU- HN . . rr_1k3h 1 760 1 . . 1 1 36 36 GLU H H . . . 1 1 68 68 ALA MB H . . . . . . . 4.76 . . . . . A . 57 GLU H . . A . 89 ALA MB . . . 57 GLU- HN . . . . . 89 ALA QB . . rr_1k3h 1 761 1 . . 1 1 36 36 GLU HA H . . . 1 1 36 36 GLU HG2 H . . . . . . . 4.14 . . . . . A . 57 GLU HA . . A . 57 GLU HG2 . . . 57 GLU- HA . . . . . 57 GLU- HG2 . . rr_1k3h 1 762 1 . . 1 1 36 36 GLU HA H . . . 1 1 36 36 GLU HG3 H . . . . . . . 4.14 . . . . . A . 57 GLU HA . . A . 57 GLU HG3 . . . 57 GLU- HA . . . . . 57 GLU- HG3 . . rr_1k3h 1 763 1 OR . 1 1 36 36 GLU HA H . . . 1 1 36 36 GLU HG2 H . . . . . . . 3.86 . . . . . A . 57 GLU HA . . A . 57 GLU HG2 . . . 57 GLU- HA . . . . . 57 GLU- QG . . rr_1k3h 1 763 2 OR . 1 1 36 36 GLU HA H . . . 1 1 36 36 GLU HG3 H . . . . . . . 3.86 . . . . . A . 57 GLU HA . . A . 57 GLU HG3 . . . 57 GLU- HA . . . . . 57 GLU- QG . . rr_1k3h 1 764 1 . . 1 1 39 39 ILE H H . . . 1 1 36 36 GLU HA H . . . . . . . 4.38 . . . . . A . 60 ILE H . . A . 57 GLU HA . . . 60 ILE HN . . . . . 57 GLU- HA . . rr_1k3h 1 765 1 . . 1 1 39 39 ILE HB H . . . 1 1 36 36 GLU HA H . . . . . . . 3.89 . . . . . A . 60 ILE HB . . A . 57 GLU HA . . . 60 ILE HB . . . . . 57 GLU- HA . . rr_1k3h 1 766 1 . . 1 1 39 39 ILE MG H . . . 1 1 36 36 GLU HA H . . . . . . . 6.12 . . . . . A . 60 ILE MG . . A . 57 GLU HA . . . 60 ILE QG2 . . . . . 57 GLU- HA . . rr_1k3h 1 767 1 OR . 1 1 36 36 GLU HA H . . . 1 1 39 39 ILE HG13 H . . . . . . . 6.38 . . . . . A . 57 GLU HA . . A . 60 ILE HG13 . . . 57 GLU- HA . . . . . 60 ILE QG1 . . rr_1k3h 1 767 2 OR . 1 1 39 39 ILE HG12 H . . . 1 1 36 36 GLU HA H . . . . . . . 6.38 . . . . . A . 60 ILE HG12 . . A . 57 GLU HA . . . 60 ILE QG1 . . . . . 57 GLU- HA . . rr_1k3h 1 768 1 . . 1 1 39 39 ILE MD H . . . 1 1 36 36 GLU HA H . . . . . . . 4.92 . . . . . A . 60 ILE MD . . A . 57 GLU HA . . . 60 ILE QD1 . . . . . 57 GLU- HA . . rr_1k3h 1 769 1 . . 1 1 36 36 GLU HA H . . . 1 1 40 40 LEU H H . . . . . . . 5.16 . . . . . A . 57 GLU HA . . A . 61 LEU H . . . 57 GLU- HA . . . . . 61 LEU HN . . rr_1k3h 1 770 1 . . 1 1 36 36 GLU HA H . . . 1 1 64 64 ALA MB H . . . . . . . 5.78 . . . . . A . 57 GLU HA . . A . 85 ALA MB . . . 57 GLU- HA . . . . . 85 ALA QB . . rr_1k3h 1 771 1 . . 1 1 36 36 GLU HA H . . . 1 1 68 68 ALA MB H . . . . . . . 4.02 . . . . . A . 57 GLU HA . . A . 89 ALA MB . . . 57 GLU- HA . . . . . 89 ALA QB . . rr_1k3h 1 772 1 . . 1 1 37 37 GLU H H . . . 1 1 36 36 GLU HB2 H . . . . . . . 4.94 . . . . . A . 58 GLU H . . A . 57 GLU HB2 . . . 58 GLU- HN . . . . . 57 GLU- HB2 . . rr_1k3h 1 773 1 . . 1 1 64 64 ALA MB H . . . 1 1 36 36 GLU HB2 H . . . . . . . 5.26 . . . . . A . 85 ALA MB . . A . 57 GLU HB2 . . . 85 ALA QB . . . . . 57 GLU- HB2 . . rr_1k3h 1 774 1 . . 1 1 68 68 ALA MB H . . . 1 1 36 36 GLU HB2 H . . . . . . . 5.04 . . . . . A . 89 ALA MB . . A . 57 GLU HB2 . . . 89 ALA QB . . . . . 57 GLU- HB2 . . rr_1k3h 1 775 1 . . 1 1 37 37 GLU H H . . . 1 1 36 36 GLU HB3 H . . . . . . . 4.94 . . . . . A . 58 GLU H . . A . 57 GLU HB3 . . . 58 GLU- HN . . . . . 57 GLU- HB3 . . rr_1k3h 1 776 1 . . 1 1 36 36 GLU HB3 H . . . 1 1 64 64 ALA MB H . . . . . . . 5.26 . . . . . A . 57 GLU HB3 . . A . 85 ALA MB . . . 57 GLU- HB3 . . . . . 85 ALA QB . . rr_1k3h 1 777 1 . . 1 1 36 36 GLU HB3 H . . . 1 1 68 68 ALA MB H . . . . . . . 5.04 . . . . . A . 57 GLU HB3 . . A . 89 ALA MB . . . 57 GLU- HB3 . . . . . 89 ALA QB . . rr_1k3h 1 778 1 OR . 1 1 37 37 GLU H H . . . 1 1 36 36 GLU HB2 H . . . . . . . 4.51 . . . . . A . 58 GLU H . . A . 57 GLU HB2 . . . 58 GLU- HN . . . . . 57 GLU- QB . . rr_1k3h 1 778 2 OR . 1 1 37 37 GLU H H . . . 1 1 36 36 GLU HB3 H . . . . . . . 4.51 . . . . . A . 58 GLU H . . A . 57 GLU HB3 . . . 58 GLU- HN . . . . . 57 GLU- QB . . rr_1k3h 1 779 1 OR . 1 1 39 39 ILE MD H . . . 1 1 36 36 GLU HB2 H . . . . . . . 7.41 . . . . . A . 60 ILE MD . . A . 57 GLU HB2 . . . 60 ILE QD1 . . . . . 57 GLU- QB . . rr_1k3h 1 779 2 OR . 1 1 39 39 ILE MD H . . . 1 1 36 36 GLU HB3 H . . . . . . . 7.41 . . . . . A . 60 ILE MD . . A . 57 GLU HB3 . . . 60 ILE QD1 . . . . . 57 GLU- QB . . rr_1k3h 1 780 1 OR . 1 1 64 64 ALA MB H . . . 1 1 36 36 GLU HB2 H . . . . . . . 5.03 . . . . . A . 85 ALA MB . . A . 57 GLU HB2 . . . 85 ALA QB . . . . . 57 GLU- QB . . rr_1k3h 1 780 2 OR . 1 1 36 36 GLU HB3 H . . . 1 1 64 64 ALA MB H . . . . . . . 5.03 . . . . . A . 57 GLU HB3 . . A . 85 ALA MB . . . 57 GLU- QB . . . . . 85 ALA QB . . rr_1k3h 1 781 1 OR . 1 1 68 68 ALA MB H . . . 1 1 36 36 GLU HB2 H . . . . . . . 4.57 . . . . . A . 89 ALA MB . . A . 57 GLU HB2 . . . 89 ALA QB . . . . . 57 GLU- QB . . rr_1k3h 1 781 2 OR . 1 1 36 36 GLU HB3 H . . . 1 1 68 68 ALA MB H . . . . . . . 4.57 . . . . . A . 57 GLU HB3 . . A . 89 ALA MB . . . 57 GLU- QB . . . . . 89 ALA QB . . rr_1k3h 1 782 1 . . 1 1 37 37 GLU H H . . . 1 1 36 36 GLU HG2 H . . . . . . . 5.50 . . . . . A . 58 GLU H . . A . 57 GLU HG2 . . . 58 GLU- HN . . . . . 57 GLU- HG2 . . rr_1k3h 1 783 1 . . 1 1 37 37 GLU H H . . . 1 1 36 36 GLU HG3 H . . . . . . . 5.50 . . . . . A . 58 GLU H . . A . 57 GLU HG3 . . . 58 GLU- HN . . . . . 57 GLU- HG3 . . rr_1k3h 1 784 1 OR . 1 1 37 37 GLU H H . . . 1 1 36 36 GLU HG2 H . . . . . . . 4.73 . . . . . A . 58 GLU H . . A . 57 GLU HG2 . . . 58 GLU- HN . . . . . 57 GLU- QG . . rr_1k3h 1 784 2 OR . 1 1 37 37 GLU H H . . . 1 1 36 36 GLU HG3 H . . . . . . . 4.73 . . . . . A . 58 GLU H . . A . 57 GLU HG3 . . . 58 GLU- HN . . . . . 57 GLU- QG . . rr_1k3h 1 785 1 OR . 1 1 64 64 ALA MB H . . . 1 1 36 36 GLU HG2 H . . . . . . . 5.86 . . . . . A . 85 ALA MB . . A . 57 GLU HG2 . . . 85 ALA QB . . . . . 57 GLU- QG . . rr_1k3h 1 785 2 OR . 1 1 36 36 GLU HG3 H . . . 1 1 64 64 ALA MB H . . . . . . . 5.86 . . . . . A . 57 GLU HG3 . . A . 85 ALA MB . . . 57 GLU- QG . . . . . 85 ALA QB . . rr_1k3h 1 786 1 OR . 1 1 65 65 ALA HA H . . . 1 1 36 36 GLU HG2 H . . . . . . . 4.74 . . . . . A . 86 ALA HA . . A . 57 GLU HG2 . . . 86 ALA HA . . . . . 57 GLU- QG . . rr_1k3h 1 786 2 OR . 1 1 36 36 GLU HG3 H . . . 1 1 65 65 ALA HA H . . . . . . . 4.74 . . . . . A . 57 GLU HG3 . . A . 86 ALA HA . . . 57 GLU- QG . . . . . 86 ALA HA . . rr_1k3h 1 787 1 OR . 1 1 68 68 ALA MB H . . . 1 1 36 36 GLU HG2 H . . . . . . . 5.30 . . . . . A . 89 ALA MB . . A . 57 GLU HG2 . . . 89 ALA QB . . . . . 57 GLU- QG . . rr_1k3h 1 787 2 OR . 1 1 36 36 GLU HG3 H . . . 1 1 68 68 ALA MB H . . . . . . . 5.30 . . . . . A . 57 GLU HG3 . . A . 89 ALA MB . . . 57 GLU- QG . . . . . 89 ALA QB . . rr_1k3h 1 788 1 . . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . . . 3.86 . . . . . A . 58 GLU H . . A . 58 GLU HB2 . . . 58 GLU- HN . . . . . 58 GLU- HB2 . . rr_1k3h 1 789 1 . . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB3 H . . . . . . . 3.86 . . . . . A . 58 GLU H . . A . 58 GLU HB3 . . . 58 GLU- HN . . . . . 58 GLU- HB3 . . rr_1k3h 1 790 1 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . . . 3.57 . . . . . A . 58 GLU H . . A . 58 GLU HB2 . . . 58 GLU- HN . . . . . 58 GLU- QB . . rr_1k3h 1 790 2 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB3 H . . . . . . . 3.57 . . . . . A . 58 GLU H . . A . 58 GLU HB3 . . . 58 GLU- HN . . . . . 58 GLU- QB . . rr_1k3h 1 791 1 . . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG2 H . . . . . . . 5.50 . . . . . A . 58 GLU H . . A . 58 GLU HG2 . . . 58 GLU- HN . . . . . 58 GLU- HG2 . . rr_1k3h 1 792 1 . . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG3 H . . . . . . . 5.50 . . . . . A . 58 GLU H . . A . 58 GLU HG3 . . . 58 GLU- HN . . . . . 58 GLU- HG3 . . rr_1k3h 1 793 1 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG2 H . . . . . . . 5.37 . . . . . A . 58 GLU H . . A . 58 GLU HG2 . . . 58 GLU- HN . . . . . 58 GLU- QG . . rr_1k3h 1 793 2 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG3 H . . . . . . . 5.37 . . . . . A . 58 GLU H . . A . 58 GLU HG3 . . . 58 GLU- HN . . . . . 58 GLU- QG . . rr_1k3h 1 794 1 . . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU H H . . . . . . . 3.73 . . . . . A . 59 GLU H . . A . 58 GLU H . . . 59 GLU- HN . . . . . 58 GLU- HN . . rr_1k3h 1 795 1 . . 1 1 38 38 GLU HB2 H . . . 1 1 37 37 GLU H H . . . . . . . 5.50 . . . . . A . 59 GLU HB2 . . A . 58 GLU H . . . 59 GLU- HB2 . . . . . 58 GLU- HN . . rr_1k3h 1 796 1 OR . 1 1 37 37 GLU H H . . . 1 1 38 38 GLU HG2 H . . . . . . . 6.38 . . . . . A . 58 GLU H . . A . 59 GLU HG2 . . . 58 GLU- HN . . . . . 59 GLU- QG . . rr_1k3h 1 796 2 OR . 1 1 38 38 GLU HG3 H . . . 1 1 37 37 GLU H H . . . . . . . 6.38 . . . . . A . 59 GLU HG3 . . A . 58 GLU H . . . 59 GLU- QG . . . . . 58 GLU- HN . . rr_1k3h 1 797 1 . . 1 1 39 39 ILE H H . . . 1 1 37 37 GLU H H . . . . . . . 5.47 . . . . . A . 60 ILE H . . A . 58 GLU H . . . 60 ILE HN . . . . . 58 GLU- HN . . rr_1k3h 1 798 1 . . 1 1 39 39 ILE H H . . . 1 1 37 37 GLU HA H . . . . . . . 5.34 . . . . . A . 60 ILE H . . A . 58 GLU HA . . . 60 ILE HN . . . . . 58 GLU- HA . . rr_1k3h 1 799 1 . . 1 1 40 40 LEU H H . . . 1 1 37 37 GLU HA H . . . . . . . 4.35 . . . . . A . 61 LEU H . . A . 58 GLU HA . . . 61 LEU HN . . . . . 58 GLU- HA . . rr_1k3h 1 800 1 . . 1 1 37 37 GLU HA H . . . 1 1 40 40 LEU HB2 H . . . . . . . 4.26 . . . . . A . 58 GLU HA . . A . 61 LEU HB2 . . . 58 GLU- HA . . . . . 61 LEU HB2 . . rr_1k3h 1 801 1 . . 1 1 37 37 GLU HA H . . . 1 1 40 40 LEU MD2 H . . . . . . . 5.41 . . . . . A . 58 GLU HA . . A . 61 LEU MD2 . . . 58 GLU- HA . . . . . 61 LEU QD2 . . rr_1k3h 1 802 1 . . 1 1 37 37 GLU HA H . . . 1 1 41 41 ASP H H . . . . . . . 5.10 . . . . . A . 58 GLU HA . . A . 62 ASP H . . . 58 GLU- HA . . . . . 62 ASP- HN . . rr_1k3h 1 803 1 . . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . . . 4.32 . . . . . A . 59 GLU H . . A . 58 GLU HB2 . . . 59 GLU- HN . . . . . 58 GLU- HB2 . . rr_1k3h 1 804 1 . . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HB3 H . . . . . . . 4.32 . . . . . A . 59 GLU H . . A . 58 GLU HB3 . . . 59 GLU- HN . . . . . 58 GLU- HB3 . . rr_1k3h 1 805 1 OR . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . . . 4.12 . . . . . A . 59 GLU H . . A . 58 GLU HB2 . . . 59 GLU- HN . . . . . 58 GLU- QB . . rr_1k3h 1 805 2 OR . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HB3 H . . . . . . . 4.12 . . . . . A . 59 GLU H . . A . 58 GLU HB3 . . . 59 GLU- HN . . . . . 58 GLU- QB . . rr_1k3h 1 806 1 OR . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HG2 H . . . . . . . 6.38 . . . . . A . 59 GLU H . . A . 58 GLU HG2 . . . 59 GLU- HN . . . . . 58 GLU- QG . . rr_1k3h 1 806 2 OR . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HG3 H . . . . . . . 6.38 . . . . . A . 59 GLU H . . A . 58 GLU HG3 . . . 59 GLU- HN . . . . . 58 GLU- QG . . rr_1k3h 1 807 1 . . 1 1 38 38 GLU HB2 H . . . 1 1 38 38 GLU H H . . . . . . . 3.55 . . . . . A . 59 GLU HB2 . . A . 59 GLU H . . . 59 GLU- HB2 . . . . . 59 GLU- HN . . rr_1k3h 1 808 1 . . 1 1 38 38 GLU HB3 H . . . 1 1 38 38 GLU H H . . . . . . . 3.95 . . . . . A . 59 GLU HB3 . . A . 59 GLU H . . . 59 GLU- HB3 . . . . . 59 GLU- HN . . rr_1k3h 1 809 1 . . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HG2 H . . . . . . . 4.42 . . . . . A . 59 GLU H . . A . 59 GLU HG2 . . . 59 GLU- HN . . . . . 59 GLU- HG2 . . rr_1k3h 1 810 1 . . 1 1 38 38 GLU HG3 H . . . 1 1 38 38 GLU H H . . . . . . . 4.42 . . . . . A . 59 GLU HG3 . . A . 59 GLU H . . . 59 GLU- HG3 . . . . . 59 GLU- HN . . rr_1k3h 1 811 1 OR . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HG2 H . . . . . . . 4.22 . . . . . A . 59 GLU H . . A . 59 GLU HG2 . . . 59 GLU- HN . . . . . 59 GLU- QG . . rr_1k3h 1 811 2 OR . 1 1 38 38 GLU HG3 H . . . 1 1 38 38 GLU H H . . . . . . . 4.22 . . . . . A . 59 GLU HG3 . . A . 59 GLU H . . . 59 GLU- QG . . . . . 59 GLU- HN . . rr_1k3h 1 812 1 . . 1 1 39 39 ILE H H . . . 1 1 38 38 GLU H H . . . . . . . 3.61 . . . . . A . 60 ILE H . . A . 59 GLU H . . . 60 ILE HN . . . . . 59 GLU- HN . . rr_1k3h 1 813 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 38 38 GLU H H . . . . . . . 5.50 . . . . . A . 60 ILE HG12 . . A . 59 GLU H . . . 60 ILE HG12 . . . . . 59 GLU- HN . . rr_1k3h 1 814 1 . . 1 1 38 38 GLU H H . . . 1 1 39 39 ILE HG13 H . . . . . . . 5.50 . . . . . A . 59 GLU H . . A . 60 ILE HG13 . . . 59 GLU- HN . . . . . 60 ILE HG13 . . rr_1k3h 1 815 1 . . 1 1 38 38 GLU H H . . . 1 1 40 40 LEU H H . . . . . . . 5.44 . . . . . A . 59 GLU H . . A . 61 LEU H . . . 59 GLU- HN . . . . . 61 LEU HN . . rr_1k3h 1 816 1 . . 1 1 38 38 GLU HA H . . . 1 1 38 38 GLU HG2 H . . . . . . . 3.86 . . . . . A . 59 GLU HA . . A . 59 GLU HG2 . . . 59 GLU- HA . . . . . 59 GLU- HG2 . . rr_1k3h 1 817 1 . . 1 1 38 38 GLU HG3 H . . . 1 1 38 38 GLU HA H . . . . . . . 3.86 . . . . . A . 59 GLU HG3 . . A . 59 GLU HA . . . 59 GLU- HG3 . . . . . 59 GLU- HA . . rr_1k3h 1 818 1 . . 1 1 38 38 GLU HA H . . . 1 1 40 40 LEU H H . . . . . . . 5.50 . . . . . A . 59 GLU HA . . A . 61 LEU H . . . 59 GLU- HA . . . . . 61 LEU HN . . rr_1k3h 1 819 1 . . 1 1 38 38 GLU HA H . . . 1 1 41 41 ASP H H . . . . . . . 4.38 . . . . . A . 59 GLU HA . . A . 62 ASP H . . . 59 GLU- HA . . . . . 62 ASP- HN . . rr_1k3h 1 820 1 . . 1 1 38 38 GLU HA H . . . 1 1 41 41 ASP HB2 H . . . . . . . 4.20 . . . . . A . 59 GLU HA . . A . 62 ASP HB2 . . . 59 GLU- HA . . . . . 62 ASP- HB2 . . rr_1k3h 1 821 1 . . 1 1 38 38 GLU HA H . . . 1 1 41 41 ASP HB3 H . . . . . . . 4.20 . . . . . A . 59 GLU HA . . A . 62 ASP HB3 . . . 59 GLU- HA . . . . . 62 ASP- HB3 . . rr_1k3h 1 822 1 . . 1 1 42 42 ILE H H . . . 1 1 38 38 GLU HA H . . . . . . . 5.34 . . . . . A . 63 ILE H . . A . 59 GLU HA . . . 63 ILE HN . . . . . 59 GLU- HA . . rr_1k3h 1 823 1 . . 1 1 38 38 GLU HB2 H . . . 1 1 39 39 ILE H H . . . . . . . 3.98 . . . . . A . 59 GLU HB2 . . A . 60 ILE H . . . 59 GLU- HB2 . . . . . 60 ILE HN . . rr_1k3h 1 824 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 38 38 GLU HB2 H . . . . . . . 5.50 . . . . . A . 60 ILE HG12 . . A . 59 GLU HB2 . . . 60 ILE HG12 . . . . . 59 GLU- HB2 . . rr_1k3h 1 825 1 . . 1 1 38 38 GLU HB2 H . . . 1 1 39 39 ILE HG13 H . . . . . . . 5.50 . . . . . A . 59 GLU HB2 . . A . 60 ILE HG13 . . . 59 GLU- HB2 . . . . . 60 ILE HG13 . . rr_1k3h 1 826 1 . . 1 1 38 38 GLU HB3 H . . . 1 1 39 39 ILE H H . . . . . . . 4.35 . . . . . A . 59 GLU HB3 . . A . 60 ILE H . . . 59 GLU- HB3 . . . . . 60 ILE HN . . rr_1k3h 1 827 1 . . 1 1 42 42 ILE MD H . . . 1 1 38 38 GLU HB3 H . . . . . . . 6.19 . . . . . A . 63 ILE MD . . A . 59 GLU HB3 . . . 63 ILE QD1 . . . . . 59 GLU- HB3 . . rr_1k3h 1 828 1 . . 1 1 39 39 ILE H H . . . 1 1 38 38 GLU HG2 H . . . . . . . 5.50 . . . . . A . 60 ILE H . . A . 59 GLU HG2 . . . 60 ILE HN . . . . . 59 GLU- HG2 . . rr_1k3h 1 829 1 . . 1 1 39 39 ILE H H . . . 1 1 38 38 GLU HG3 H . . . . . . . 5.50 . . . . . A . 60 ILE H . . A . 59 GLU HG3 . . . 60 ILE HN . . . . . 59 GLU- HG3 . . rr_1k3h 1 830 1 . . 1 1 39 39 ILE H H . . . 1 1 39 39 ILE HB H . . . . . . . 3.30 . . . . . A . 60 ILE H . . A . 60 ILE HB . . . 60 ILE HN . . . . . 60 ILE HB . . rr_1k3h 1 831 1 . . 1 1 39 39 ILE HG12 H . . . 1 1 39 39 ILE H H . . . . . . . 4.23 . . . . . A . 60 ILE HG12 . . A . 60 ILE H . . . 60 ILE HG12 . . . . . 60 ILE HN . . rr_1k3h 1 832 1 . . 1 1 39 39 ILE H H . . . 1 1 39 39 ILE HG13 H . . . . . . . 4.23 . . . . . A . 60 ILE H . . A . 60 ILE HG13 . . . 60 ILE HN . . . . . 60 ILE HG13 . . rr_1k3h 1 833 1 OR . 1 1 39 39 ILE H H . . . 1 1 39 39 ILE HG13 H . . . . . . . 3.76 . . . . . A . 60 ILE H . . A . 60 ILE HG13 . . . 60 ILE HN . . . . . 60 ILE QG1 . . rr_1k3h 1 833 2 OR . 1 1 39 39 ILE HG12 H . . . 1 1 39 39 ILE H H . . . . . . . 3.76 . . . . . A . 60 ILE HG12 . . A . 60 ILE H . . . 60 ILE QG1 . . . . . 60 ILE HN . . rr_1k3h 1 834 1 . . 1 1 39 39 ILE MD H . . . 1 1 39 39 ILE H H . . . . . . . 4.98 . . . . . A . 60 ILE MD . . A . 60 ILE H . . . 60 ILE QD1 . . . . . 60 ILE HN . . rr_1k3h 1 835 1 . . 1 1 39 39 ILE H H . . . 1 1 40 40 LEU H H . . . . . . . 4.51 . . . . . A . 60 ILE H . . A . 61 LEU H . . . 60 ILE HN . . . . . 61 LEU HN . . rr_1k3h 1 836 1 . . 1 1 39 39 ILE H H . . . 1 1 40 40 LEU HA H . . . . . . . 5.25 . . . . . A . 60 ILE H . . A . 61 LEU HA . . . 60 ILE HN . . . . . 61 LEU HA . . rr_1k3h 1 837 1 . . 1 1 39 39 ILE H H . . . 1 1 40 40 LEU HB3 H . . . . . . . 5.34 . . . . . A . 60 ILE H . . A . 61 LEU HB3 . . . 60 ILE HN . . . . . 61 LEU HB3 . . rr_1k3h 1 838 1 . . 1 1 39 39 ILE H H . . . 1 1 41 41 ASP H H . . . . . . . 5.50 . . . . . A . 60 ILE H . . A . 62 ASP H . . . 60 ILE HN . . . . . 62 ASP- HN . . rr_1k3h 1 839 1 . . 1 1 39 39 ILE H H . . . 1 1 64 64 ALA MB H . . . . . . . 5.88 . . . . . A . 60 ILE H . . A . 85 ALA MB . . . 60 ILE HN . . . . . 85 ALA QB . . rr_1k3h 1 840 1 . . 1 1 39 39 ILE HA H . . . 1 1 39 39 ILE HG12 H . . . . . . . 2.83 . . . . . A . 60 ILE HA . . A . 60 ILE HG12 . . . 60 ILE HA . . . . . 60 ILE HG12 . . rr_1k3h 1 841 1 . . 1 1 39 39 ILE HA H . . . 1 1 39 39 ILE HG13 H . . . . . . . 2.83 . . . . . A . 60 ILE HA . . A . 60 ILE HG13 . . . 60 ILE HA . . . . . 60 ILE HG13 . . rr_1k3h 1 842 1 OR . 1 1 39 39 ILE HA H . . . 1 1 39 39 ILE HG13 H . . . . . . . 2.57 . . . . . A . 60 ILE HA . . A . 60 ILE HG13 . . . 60 ILE HA . . . . . 60 ILE QG1 . . rr_1k3h 1 842 2 OR . 1 1 39 39 ILE HA H . . . 1 1 39 39 ILE HG12 H . . . . . . . 2.57 . . . . . A . 60 ILE HA . . A . 60 ILE HG12 . . . 60 ILE HA . . . . . 60 ILE QG1 . . rr_1k3h 1 843 1 . . 1 1 39 39 ILE HA H . . . 1 1 42 42 ILE H H . . . . . . . 3.92 . . . . . A . 60 ILE HA . . A . 63 ILE H . . . 60 ILE HA . . . . . 63 ILE HN . . rr_1k3h 1 844 1 . . 1 1 39 39 ILE HA H . . . 1 1 42 42 ILE HB H . . . . . . . 5.50 . . . . . A . 60 ILE HA . . A . 63 ILE HB . . . 60 ILE HA . . . . . 63 ILE HB . . rr_1k3h 1 845 1 . . 1 1 42 42 ILE MD H . . . 1 1 39 39 ILE HA H . . . . . . . 3.99 . . . . . A . 63 ILE MD . . A . 60 ILE HA . . . 63 ILE QD1 . . . . . 60 ILE HA . . rr_1k3h 1 846 1 . . 1 1 39 39 ILE HA H . . . 1 1 43 43 ILE H H . . . . . . . 4.85 . . . . . A . 60 ILE HA . . A . 64 ILE H . . . 60 ILE HA . . . . . 64 ILE HN . . rr_1k3h 1 847 1 . . 1 1 39 39 ILE HB H . . . 1 1 40 40 LEU H H . . . . . . . 3.67 . . . . . A . 60 ILE HB . . A . 61 LEU H . . . 60 ILE HB . . . . . 61 LEU HN . . rr_1k3h 1 848 1 . . 1 1 39 39 ILE HB H . . . 1 1 40 40 LEU HA H . . . . . . . 5.50 . . . . . A . 60 ILE HB . . A . 61 LEU HA . . . 60 ILE HB . . . . . 61 LEU HA . . rr_1k3h 1 849 1 . . 1 1 39 39 ILE HB H . . . 1 1 64 64 ALA HA H . . . . . . . 4.97 . . . . . A . 60 ILE HB . . A . 85 ALA HA . . . 60 ILE HB . . . . . 85 ALA HA . . rr_1k3h 1 850 1 . . 1 1 39 39 ILE HB H . . . 1 1 64 64 ALA MB H . . . . . . . 5.07 . . . . . A . 60 ILE HB . . A . 85 ALA MB . . . 60 ILE HB . . . . . 85 ALA QB . . rr_1k3h 1 851 1 . . 1 1 39 39 ILE MG H . . . 1 1 40 40 LEU H H . . . . . . . 5.32 . . . . . A . 60 ILE MG . . A . 61 LEU H . . . 60 ILE QG2 . . . . . 61 LEU HN . . rr_1k3h 1 852 1 . . 1 1 39 39 ILE MG H . . . 1 1 40 40 LEU HA H . . . . . . . 5.54 . . . . . A . 60 ILE MG . . A . 61 LEU HA . . . 60 ILE QG2 . . . . . 61 LEU HA . . rr_1k3h 1 853 1 . . 1 1 39 39 ILE MG H . . . 1 1 42 42 ILE HB H . . . . . . . 6.40 . . . . . A . 60 ILE MG . . A . 63 ILE HB . . . 60 ILE QG2 . . . . . 63 ILE HB . . rr_1k3h 1 854 1 . . 1 1 42 42 ILE MD H . . . 1 1 39 39 ILE MG H . . . . . . . 7.56 . . . . . A . 63 ILE MD . . A . 60 ILE MG . . . 63 ILE QD1 . . . . . 60 ILE QG2 . . rr_1k3h 1 855 1 . . 1 1 39 39 ILE MG H . . . 1 1 43 43 ILE H H . . . . . . . 6.22 . . . . . A . 60 ILE MG . . A . 64 ILE H . . . 60 ILE QG2 . . . . . 64 ILE HN . . rr_1k3h 1 856 1 . . 1 1 39 39 ILE MG H . . . 1 1 43 43 ILE HB H . . . . . . . 6.53 . . . . . A . 60 ILE MG . . A . 64 ILE HB . . . 60 ILE QG2 . . . . . 64 ILE HB . . rr_1k3h 1 857 1 . . 1 1 39 39 ILE MG H . . . 1 1 43 43 ILE HG12 H . . . . . . . 5.78 . . . . . A . 60 ILE MG . . A . 64 ILE HG12 . . . 60 ILE QG2 . . . . . 64 ILE HG12 . . rr_1k3h 1 858 1 . . 1 1 39 39 ILE MG H . . . 1 1 43 43 ILE MD H . . . . . . . 5.85 . . . . . A . 60 ILE MG . . A . 64 ILE MD . . . 60 ILE QG2 . . . . . 64 ILE QD1 . . rr_1k3h 1 859 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 39 39 ILE MG H . . . . . . . 7.56 . . . . . A . 84 VAL MG1 . . A . 60 ILE MG . . . 84 VAL QG1 . . . . . 60 ILE QG2 . . rr_1k3h 1 860 1 . . 1 1 39 39 ILE MG H . . . 1 1 64 64 ALA H H . . . . . . . 6.16 . . . . . A . 60 ILE MG . . A . 85 ALA H . . . 60 ILE QG2 . . . . . 85 ALA HN . . rr_1k3h 1 861 1 . . 1 1 39 39 ILE MG H . . . 1 1 64 64 ALA HA H . . . . . . . 3.61 . . . . . A . 60 ILE MG . . A . 85 ALA HA . . . 60 ILE QG2 . . . . . 85 ALA HA . . rr_1k3h 1 862 1 . . 1 1 39 39 ILE MG H . . . 1 1 64 64 ALA MB H . . . . . . . 5.79 . . . . . A . 60 ILE MG . . A . 85 ALA MB . . . 60 ILE QG2 . . . . . 85 ALA QB . . rr_1k3h 1 863 1 . . 1 1 39 39 ILE MG H . . . 1 1 67 67 LEU HB2 H . . . . . . . 4.57 . . . . . A . 60 ILE MG . . A . 88 LEU HB2 . . . 60 ILE QG2 . . . . . 88 LEU HB2 . . rr_1k3h 1 864 1 . . 1 1 39 39 ILE MG H . . . 1 1 67 67 LEU HB3 H . . . . . . . 4.54 . . . . . A . 60 ILE MG . . A . 88 LEU HB3 . . . 60 ILE QG2 . . . . . 88 LEU HB3 . . rr_1k3h 1 865 1 OR . 1 1 39 39 ILE MG H . . . 1 1 67 67 LEU MD1 H . . . . . . . 8.16 . . . . . A . 60 ILE MG . . A . 88 LEU MD1 . . . 60 ILE QG2 . . . . . 88 LEU QQD . . rr_1k3h 1 865 2 OR . 1 1 39 39 ILE MG H . . . 1 1 67 67 LEU MD2 H . . . . . . . 8.16 . . . . . A . 60 ILE MG . . A . 88 LEU MD2 . . . 60 ILE QG2 . . . . . 88 LEU QQD . . rr_1k3h 1 866 1 . . 1 1 39 39 ILE MG H . . . 1 1 68 68 ALA H H . . . . . . . 6.53 . . . . . A . 60 ILE MG . . A . 89 ALA H . . . 60 ILE QG2 . . . . . 89 ALA HN . . rr_1k3h 1 867 1 . . 1 1 39 39 ILE MG H . . . 1 1 68 68 ALA MB H . . . . . . . 7.56 . . . . . A . 60 ILE MG . . A . 89 ALA MB . . . 60 ILE QG2 . . . . . 89 ALA QB . . rr_1k3h 1 868 1 OR . 1 1 40 40 LEU H H . . . 1 1 39 39 ILE HG13 H . . . . . . . 6.38 . . . . . A . 61 LEU H . . A . 60 ILE HG13 . . . 61 LEU HN . . . . . 60 ILE QG1 . . rr_1k3h 1 868 2 OR . 1 1 39 39 ILE HG12 H . . . 1 1 40 40 LEU H H . . . . . . . 6.38 . . . . . A . 60 ILE HG12 . . A . 61 LEU H . . . 60 ILE QG1 . . . . . 61 LEU HN . . rr_1k3h 1 869 1 OR . 1 1 67 67 LEU HB2 H . . . 1 1 39 39 ILE HG13 H . . . . . . . 6.38 . . . . . A . 88 LEU HB2 . . A . 60 ILE HG13 . . . 88 LEU HB2 . . . . . 60 ILE QG1 . . rr_1k3h 1 869 2 OR . 1 1 39 39 ILE HG12 H . . . 1 1 67 67 LEU HB2 H . . . . . . . 6.38 . . . . . A . 60 ILE HG12 . . A . 88 LEU HB2 . . . 60 ILE QG1 . . . . . 88 LEU HB2 . . rr_1k3h 1 870 1 . . 1 1 39 39 ILE MD H . . . 1 1 40 40 LEU H H . . . . . . . 6.53 . . . . . A . 60 ILE MD . . A . 61 LEU H . . . 60 ILE QD1 . . . . . 61 LEU HN . . rr_1k3h 1 871 1 . . 1 1 39 39 ILE MD H . . . 1 1 64 64 ALA HA H . . . . . . . 5.50 . . . . . A . 60 ILE MD . . A . 85 ALA HA . . . 60 ILE QD1 . . . . . 85 ALA HA . . rr_1k3h 1 872 1 . . 1 1 39 39 ILE MD H . . . 1 1 67 67 LEU HB2 H . . . . . . . 4.51 . . . . . A . 60 ILE MD . . A . 88 LEU HB2 . . . 60 ILE QD1 . . . . . 88 LEU HB2 . . rr_1k3h 1 873 1 . . 1 1 39 39 ILE MD H . . . 1 1 67 67 LEU HB3 H . . . . . . . 4.20 . . . . . A . 60 ILE MD . . A . 88 LEU HB3 . . . 60 ILE QD1 . . . . . 88 LEU HB3 . . rr_1k3h 1 874 1 . . 1 1 39 39 ILE MD H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.56 . . . . . A . 60 ILE MD . . A . 88 LEU MD1 . . . 60 ILE QD1 . . . . . 88 LEU QD1 . . rr_1k3h 1 875 1 . . 1 1 39 39 ILE MD H . . . 1 1 67 67 LEU MD2 H . . . . . . . 7.56 . . . . . A . 60 ILE MD . . A . 88 LEU MD2 . . . 60 ILE QD1 . . . . . 88 LEU QD2 . . rr_1k3h 1 876 1 . . 1 1 39 39 ILE MD H . . . 1 1 68 68 ALA H H . . . . . . . 5.04 . . . . . A . 60 ILE MD . . A . 89 ALA H . . . 60 ILE QD1 . . . . . 89 ALA HN . . rr_1k3h 1 877 1 . . 1 1 39 39 ILE MD H . . . 1 1 68 68 ALA HA H . . . . . . . 3.89 . . . . . A . 60 ILE MD . . A . 89 ALA HA . . . 60 ILE QD1 . . . . . 89 ALA HA . . rr_1k3h 1 878 1 . . 1 1 39 39 ILE MD H . . . 1 1 68 68 ALA MB H . . . . . . . 6.10 . . . . . A . 60 ILE MD . . A . 89 ALA MB . . . 60 ILE QD1 . . . . . 89 ALA QB . . rr_1k3h 1 879 1 . . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU HB2 H . . . . . . . 3.11 . . . . . A . 61 LEU H . . A . 61 LEU HB2 . . . 61 LEU HN . . . . . 61 LEU HB2 . . rr_1k3h 1 880 1 . . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU HB3 H . . . . . . . 3.36 . . . . . A . 61 LEU H . . A . 61 LEU HB3 . . . 61 LEU HN . . . . . 61 LEU HB3 . . rr_1k3h 1 881 1 . . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU HG H . . . . . . . 5.19 . . . . . A . 61 LEU H . . A . 61 LEU HG . . . 61 LEU HN . . . . . 61 LEU HG . . rr_1k3h 1 882 1 . . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU MD1 H . . . . . . . 5.47 . . . . . A . 61 LEU H . . A . 61 LEU MD1 . . . 61 LEU HN . . . . . 61 LEU QD1 . . rr_1k3h 1 883 1 . . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU MD2 H . . . . . . . 5.38 . . . . . A . 61 LEU H . . A . 61 LEU MD2 . . . 61 LEU HN . . . . . 61 LEU QD2 . . rr_1k3h 1 884 1 . . 1 1 40 40 LEU H H . . . 1 1 41 41 ASP H H . . . . . . . 3.79 . . . . . A . 61 LEU H . . A . 62 ASP H . . . 61 LEU HN . . . . . 62 ASP- HN . . rr_1k3h 1 885 1 . . 1 1 43 43 ILE MD H . . . 1 1 40 40 LEU H H . . . . . . . 6.53 . . . . . A . 64 ILE MD . . A . 61 LEU H . . . 64 ILE QD1 . . . . . 61 LEU HN . . rr_1k3h 1 886 1 . . 1 1 40 40 LEU H H . . . 1 1 64 64 ALA HA H . . . . . . . 5.50 . . . . . A . 61 LEU H . . A . 85 ALA HA . . . 61 LEU HN . . . . . 85 ALA HA . . rr_1k3h 1 887 1 . . 1 1 40 40 LEU HA H . . . 1 1 40 40 LEU HG H . . . . . . . 4.23 . . . . . A . 61 LEU HA . . A . 61 LEU HG . . . 61 LEU HA . . . . . 61 LEU HG . . rr_1k3h 1 888 1 . . 1 1 40 40 LEU HA H . . . 1 1 40 40 LEU MD1 H . . . . . . . 3.55 . . . . . A . 61 LEU HA . . A . 61 LEU MD1 . . . 61 LEU HA . . . . . 61 LEU QD1 . . rr_1k3h 1 889 1 . . 1 1 40 40 LEU MD2 H . . . 1 1 40 40 LEU HA H . . . . . . . 5.32 . . . . . A . 61 LEU MD2 . . A . 61 LEU HA . . . 61 LEU QD2 . . . . . 61 LEU HA . . rr_1k3h 1 890 1 . . 1 1 40 40 LEU HA H . . . 1 1 43 43 ILE H H . . . . . . . 4.04 . . . . . A . 61 LEU HA . . A . 64 ILE H . . . 61 LEU HA . . . . . 64 ILE HN . . rr_1k3h 1 891 1 . . 1 1 43 43 ILE HB H . . . 1 1 40 40 LEU HA H . . . . . . . 3.61 . . . . . A . 64 ILE HB . . A . 61 LEU HA . . . 64 ILE HB . . . . . 61 LEU HA . . rr_1k3h 1 892 1 . . 1 1 43 43 ILE MG H . . . 1 1 40 40 LEU HA H . . . . . . . 5.66 . . . . . A . 64 ILE MG . . A . 61 LEU HA . . . 64 ILE QG2 . . . . . 61 LEU HA . . rr_1k3h 1 893 1 . . 1 1 43 43 ILE HG12 H . . . 1 1 40 40 LEU HA H . . . . . . . 5.50 . . . . . A . 64 ILE HG12 . . A . 61 LEU HA . . . 64 ILE HG12 . . . . . 61 LEU HA . . rr_1k3h 1 894 1 . . 1 1 43 43 ILE HG13 H . . . 1 1 40 40 LEU HA H . . . . . . . 4.35 . . . . . A . 64 ILE HG13 . . A . 61 LEU HA . . . 64 ILE HG13 . . . . . 61 LEU HA . . rr_1k3h 1 895 1 . . 1 1 43 43 ILE MD H . . . 1 1 40 40 LEU HA H . . . . . . . 4.23 . . . . . A . 64 ILE MD . . A . 61 LEU HA . . . 64 ILE QD1 . . . . . 61 LEU HA . . rr_1k3h 1 896 1 . . 1 1 40 40 LEU HA H . . . 1 1 44 44 LEU H H . . . . . . . 5.38 . . . . . A . 61 LEU HA . . A . 65 LEU H . . . 61 LEU HA . . . . . 65 LEU HN . . rr_1k3h 1 897 1 . . 1 1 40 40 LEU HA H . . . 1 1 60 60 ALA MB H . . . . . . . 5.94 . . . . . A . 61 LEU HA . . A . 81 ALA MB . . . 61 LEU HA . . . . . 81 ALA QB . . rr_1k3h 1 898 1 . . 1 1 40 40 LEU HB2 H . . . 1 1 40 40 LEU MD1 H . . . . . . . 3.61 . . . . . A . 61 LEU HB2 . . A . 61 LEU MD1 . . . 61 LEU HB2 . . . . . 61 LEU QD1 . . rr_1k3h 1 899 1 . . 1 1 40 40 LEU HB2 H . . . 1 1 41 41 ASP H H . . . . . . . 3.95 . . . . . A . 61 LEU HB2 . . A . 62 ASP H . . . 61 LEU HB2 . . . . . 62 ASP- HN . . rr_1k3h 1 900 1 . . 1 1 40 40 LEU HB2 H . . . 1 1 61 61 GLU HA H . . . . . . . 5.50 . . . . . A . 61 LEU HB2 . . A . 82 GLU HA . . . 61 LEU HB2 . . . . . 82 GLU- HA . . rr_1k3h 1 901 1 . . 1 1 40 40 LEU MD2 H . . . 1 1 40 40 LEU HB3 H . . . . . . . 3.71 . . . . . A . 61 LEU MD2 . . A . 61 LEU HB3 . . . 61 LEU QD2 . . . . . 61 LEU HB3 . . rr_1k3h 1 902 1 . . 1 1 41 41 ASP H H . . . 1 1 40 40 LEU HB3 H . . . . . . . 3.67 . . . . . A . 62 ASP H . . A . 61 LEU HB3 . . . 62 ASP- HN . . . . . 61 LEU HB3 . . rr_1k3h 1 903 1 . . 1 1 41 41 ASP H H . . . 1 1 40 40 LEU HG H . . . . . . . 5.47 . . . . . A . 62 ASP H . . A . 61 LEU HG . . . 62 ASP- HN . . . . . 61 LEU HG . . rr_1k3h 1 904 1 . . 1 1 40 40 LEU HG H . . . 1 1 44 44 LEU H H . . . . . . . 5.50 . . . . . A . 61 LEU HG . . A . 65 LEU H . . . 61 LEU HG . . . . . 65 LEU HN . . rr_1k3h 1 905 1 OR . 1 1 40 40 LEU HG H . . . 1 1 44 44 LEU MD1 H . . . . . . . 5.31 . . . . . A . 61 LEU HG . . A . 65 LEU MD1 . . . 61 LEU HG . . . . . 65 LEU QQD . . rr_1k3h 1 905 2 OR . 1 1 40 40 LEU HG H . . . 1 1 44 44 LEU MD2 H . . . . . . . 5.31 . . . . . A . 61 LEU HG . . A . 65 LEU MD2 . . . 61 LEU HG . . . . . 65 LEU QQD . . rr_1k3h 1 906 1 . . 1 1 41 41 ASP H H . . . 1 1 40 40 LEU MD1 H . . . . . . . 6.53 . . . . . A . 62 ASP H . . A . 61 LEU MD1 . . . 62 ASP- HN . . . . . 61 LEU QD1 . . rr_1k3h 1 907 1 . . 1 1 43 43 ILE H H . . . 1 1 40 40 LEU MD1 H . . . . . . . 6.53 . . . . . A . 64 ILE H . . A . 61 LEU MD1 . . . 64 ILE HN . . . . . 61 LEU QD1 . . rr_1k3h 1 908 1 . . 1 1 43 43 ILE HB H . . . 1 1 40 40 LEU MD1 H . . . . . . . 4.67 . . . . . A . 64 ILE HB . . A . 61 LEU MD1 . . . 64 ILE HB . . . . . 61 LEU QD1 . . rr_1k3h 1 909 1 . . 1 1 43 43 ILE MD H . . . 1 1 40 40 LEU MD1 H . . . . . . . 6.90 . . . . . A . 64 ILE MD . . A . 61 LEU MD1 . . . 64 ILE QD1 . . . . . 61 LEU QD1 . . rr_1k3h 1 910 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 44 44 LEU H H . . . . . . . 5.57 . . . . . A . 61 LEU MD1 . . A . 65 LEU H . . . 61 LEU QD1 . . . . . 65 LEU HN . . rr_1k3h 1 911 1 OR . 1 1 40 40 LEU MD1 H . . . 1 1 44 44 LEU MD1 H . . . . . . . 7.33 . . . . . A . 61 LEU MD1 . . A . 65 LEU MD1 . . . 61 LEU QD1 . . . . . 65 LEU QQD . . rr_1k3h 1 911 2 OR . 1 1 40 40 LEU MD1 H . . . 1 1 44 44 LEU MD2 H . . . . . . . 7.33 . . . . . A . 61 LEU MD1 . . A . 65 LEU MD2 . . . 61 LEU QD1 . . . . . 65 LEU QQD . . rr_1k3h 1 912 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 60 60 ALA H H . . . . . . . 6.53 . . . . . A . 61 LEU MD1 . . A . 81 ALA H . . . 61 LEU QD1 . . . . . 81 ALA HN . . rr_1k3h 1 913 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 60 60 ALA HA H . . . . . . . 5.88 . . . . . A . 61 LEU MD1 . . A . 81 ALA HA . . . 61 LEU QD1 . . . . . 81 ALA HA . . rr_1k3h 1 914 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 60 60 ALA MB H . . . . . . . 5.88 . . . . . A . 61 LEU MD1 . . A . 81 ALA MB . . . 61 LEU QD1 . . . . . 81 ALA QB . . rr_1k3h 1 915 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 61 61 GLU H H . . . . . . . 5.19 . . . . . A . 61 LEU MD1 . . A . 82 GLU H . . . 61 LEU QD1 . . . . . 82 GLU- HN . . rr_1k3h 1 916 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 61 61 GLU HA H . . . . . . . 3.86 . . . . . A . 61 LEU MD1 . . A . 82 GLU HA . . . 61 LEU QD1 . . . . . 82 GLU- HA . . rr_1k3h 1 917 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 61 61 GLU HB2 H . . . . . . . 6.37 . . . . . A . 61 LEU MD1 . . A . 82 GLU HB2 . . . 61 LEU QD1 . . . . . 82 GLU- HB2 . . rr_1k3h 1 918 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 61 61 GLU HB3 H . . . . . . . 5.63 . . . . . A . 61 LEU MD1 . . A . 82 GLU HB3 . . . 61 LEU QD1 . . . . . 82 GLU- HB3 . . rr_1k3h 1 919 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 61 61 GLU HG2 H . . . . . . . 4.57 . . . . . A . 61 LEU MD1 . . A . 82 GLU HG2 . . . 61 LEU QD1 . . . . . 82 GLU- HG2 . . rr_1k3h 1 920 1 . . 1 1 40 40 LEU MD1 H . . . 1 1 61 61 GLU HG3 H . . . . . . . 4.70 . . . . . A . 61 LEU MD1 . . A . 82 GLU HG3 . . . 61 LEU QD1 . . . . . 82 GLU- HG3 . . rr_1k3h 1 921 1 . . 1 1 64 64 ALA H H . . . 1 1 40 40 LEU MD1 H . . . . . . . 6.31 . . . . . A . 85 ALA H . . A . 61 LEU MD1 . . . 85 ALA HN . . . . . 61 LEU QD1 . . rr_1k3h 1 922 1 . . 1 1 40 40 LEU MD2 H . . . 1 1 41 41 ASP H H . . . . . . . 6.03 . . . . . A . 61 LEU MD2 . . A . 62 ASP H . . . 61 LEU QD2 . . . . . 62 ASP- HN . . rr_1k3h 1 923 1 . . 1 1 40 40 LEU MD2 H . . . 1 1 61 61 GLU HA H . . . . . . . 5.10 . . . . . A . 61 LEU MD2 . . A . 82 GLU HA . . . 61 LEU QD2 . . . . . 82 GLU- HA . . rr_1k3h 1 924 1 . . 1 1 40 40 LEU MD2 H . . . 1 1 61 61 GLU HB2 H . . . . . . . 6.47 . . . . . A . 61 LEU MD2 . . A . 82 GLU HB2 . . . 61 LEU QD2 . . . . . 82 GLU- HB2 . . rr_1k3h 1 925 1 . . 1 1 40 40 LEU MD2 H . . . 1 1 61 61 GLU HB3 H . . . . . . . 5.75 . . . . . A . 61 LEU MD2 . . A . 82 GLU HB3 . . . 61 LEU QD2 . . . . . 82 GLU- HB3 . . rr_1k3h 1 926 1 . . 1 1 40 40 LEU MD2 H . . . 1 1 61 61 GLU HG2 H . . . . . . . 4.17 . . . . . A . 61 LEU MD2 . . A . 82 GLU HG2 . . . 61 LEU QD2 . . . . . 82 GLU- HG2 . . rr_1k3h 1 927 1 . . 1 1 40 40 LEU MD2 H . . . 1 1 61 61 GLU HG3 H . . . . . . . 4.85 . . . . . A . 61 LEU MD2 . . A . 82 GLU HG3 . . . 61 LEU QD2 . . . . . 82 GLU- HG3 . . rr_1k3h 1 928 1 . . 1 1 41 41 ASP H H . . . 1 1 41 41 ASP HB2 H . . . . . . . 3.52 . . . . . A . 62 ASP H . . A . 62 ASP HB2 . . . 62 ASP- HN . . . . . 62 ASP- HB2 . . rr_1k3h 1 929 1 . . 1 1 41 41 ASP H H . . . 1 1 41 41 ASP HB3 H . . . . . . . 3.52 . . . . . A . 62 ASP H . . A . 62 ASP HB3 . . . 62 ASP- HN . . . . . 62 ASP- HB3 . . rr_1k3h 1 930 1 OR . 1 1 41 41 ASP H H . . . 1 1 41 41 ASP HB3 H . . . . . . . 3.31 . . . . . A . 62 ASP H . . A . 62 ASP HB3 . . . 62 ASP- HN . . . . . 62 ASP- QB . . rr_1k3h 1 930 2 OR . 1 1 41 41 ASP H H . . . 1 1 41 41 ASP HB2 H . . . . . . . 3.31 . . . . . A . 62 ASP H . . A . 62 ASP HB2 . . . 62 ASP- HN . . . . . 62 ASP- QB . . rr_1k3h 1 931 1 . . 1 1 42 42 ILE H H . . . 1 1 41 41 ASP H H . . . . . . . 3.70 . . . . . A . 63 ILE H . . A . 62 ASP H . . . 63 ILE HN . . . . . 62 ASP- HN . . rr_1k3h 1 932 1 . . 1 1 41 41 ASP H H . . . 1 1 43 43 ILE H H . . . . . . . 5.31 . . . . . A . 62 ASP H . . A . 64 ILE H . . . 62 ASP- HN . . . . . 64 ILE HN . . rr_1k3h 1 933 1 . . 1 1 41 41 ASP H H . . . 1 1 44 44 LEU H H . . . . . . . 5.50 . . . . . A . 62 ASP H . . A . 65 LEU H . . . 62 ASP- HN . . . . . 65 LEU HN . . rr_1k3h 1 934 1 . . 1 1 44 44 LEU H H . . . 1 1 41 41 ASP HA H . . . . . . . 4.26 . . . . . A . 65 LEU H . . A . 62 ASP HA . . . 65 LEU HN . . . . . 62 ASP- HA . . rr_1k3h 1 935 1 OR . 1 1 41 41 ASP HA H . . . 1 1 44 44 LEU HB3 H . . . . . . . 4.77 . . . . . A . 62 ASP HA . . A . 65 LEU HB3 . . . 62 ASP- HA . . . . . 65 LEU QB . . rr_1k3h 1 935 2 OR . 1 1 41 41 ASP HA H . . . 1 1 44 44 LEU HB2 H . . . . . . . 4.77 . . . . . A . 62 ASP HA . . A . 65 LEU HB2 . . . 62 ASP- HA . . . . . 65 LEU QB . . rr_1k3h 1 936 1 . . 1 1 41 41 ASP HA H . . . 1 1 45 45 ASN H H . . . . . . . 4.35 . . . . . A . 62 ASP HA . . A . 66 ASN H . . . 62 ASP- HA . . . . . 66 ASN HN . . rr_1k3h 1 937 1 . . 1 1 41 41 ASP HA H . . . 1 1 45 45 ASN HD21 H . . . . . . . 5.50 . . . . . A . 62 ASP HA . . A . 66 ASN HD21 . . . 62 ASP- HA . . . . . 66 ASN HD21 . . rr_1k3h 1 938 1 . . 1 1 41 41 ASP HA H . . . 1 1 45 45 ASN HD22 H . . . . . . . 5.50 . . . . . A . 62 ASP HA . . A . 66 ASN HD22 . . . 62 ASP- HA . . . . . 66 ASN HD22 . . rr_1k3h 1 939 1 OR . 1 1 41 41 ASP HA H . . . 1 1 45 45 ASN HD21 H . . . . . . . 5.00 . . . . . A . 62 ASP HA . . A . 66 ASN HD21 . . . 62 ASP- HA . . . . . 66 ASN QD2 . . rr_1k3h 1 939 2 OR . 1 1 41 41 ASP HA H . . . 1 1 45 45 ASN HD22 H . . . . . . . 5.00 . . . . . A . 62 ASP HA . . A . 66 ASN HD22 . . . 62 ASP- HA . . . . . 66 ASN QD2 . . rr_1k3h 1 940 1 . . 1 1 42 42 ILE H H . . . 1 1 41 41 ASP HB2 H . . . . . . . 4.17 . . . . . A . 63 ILE H . . A . 62 ASP HB2 . . . 63 ILE HN . . . . . 62 ASP- HB2 . . rr_1k3h 1 941 1 . . 1 1 41 41 ASP HB2 H . . . 1 1 45 45 ASN HD21 H . . . . . . . 5.50 . . . . . A . 62 ASP HB2 . . A . 66 ASN HD21 . . . 62 ASP- HB2 . . . . . 66 ASN HD21 . . rr_1k3h 1 942 1 . . 1 1 41 41 ASP HB2 H . . . 1 1 45 45 ASN HD22 H . . . . . . . 5.50 . . . . . A . 62 ASP HB2 . . A . 66 ASN HD22 . . . 62 ASP- HB2 . . . . . 66 ASN HD22 . . rr_1k3h 1 943 1 . . 1 1 42 42 ILE H H . . . 1 1 41 41 ASP HB3 H . . . . . . . 4.17 . . . . . A . 63 ILE H . . A . 62 ASP HB3 . . . 63 ILE HN . . . . . 62 ASP- HB3 . . rr_1k3h 1 944 1 . . 1 1 45 45 ASN HD21 H . . . 1 1 41 41 ASP HB3 H . . . . . . . 5.50 . . . . . A . 66 ASN HD21 . . A . 62 ASP HB3 . . . 66 ASN HD21 . . . . . 62 ASP- HB3 . . rr_1k3h 1 945 1 . . 1 1 45 45 ASN HD22 H . . . 1 1 41 41 ASP HB3 H . . . . . . . 5.50 . . . . . A . 66 ASN HD22 . . A . 62 ASP HB3 . . . 66 ASN HD22 . . . . . 62 ASP- HB3 . . rr_1k3h 1 946 1 OR . 1 1 42 42 ILE H H . . . 1 1 41 41 ASP HB3 H . . . . . . . 3.97 . . . . . A . 63 ILE H . . A . 62 ASP HB3 . . . 63 ILE HN . . . . . 62 ASP- QB . . rr_1k3h 1 946 2 OR . 1 1 42 42 ILE H H . . . 1 1 41 41 ASP HB2 H . . . . . . . 3.97 . . . . . A . 63 ILE H . . A . 62 ASP HB2 . . . 63 ILE HN . . . . . 62 ASP- QB . . rr_1k3h 1 947 1 OR . 1 1 42 42 ILE HA H . . . 1 1 41 41 ASP HB3 H . . . . . . . 6.38 . . . . . A . 63 ILE HA . . A . 62 ASP HB3 . . . 63 ILE HA . . . . . 62 ASP- QB . . rr_1k3h 1 947 2 OR . 1 1 41 41 ASP HB2 H . . . 1 1 42 42 ILE HA H . . . . . . . 6.38 . . . . . A . 62 ASP HB2 . . A . 63 ILE HA . . . 62 ASP- QB . . . . . 63 ILE HA . . rr_1k3h 1 948 1 OR . 1 1 42 42 ILE HB H . . . 1 1 41 41 ASP HB3 H . . . . . . . 6.38 . . . . . A . 63 ILE HB . . A . 62 ASP HB3 . . . 63 ILE HB . . . . . 62 ASP- QB . . rr_1k3h 1 948 2 OR . 1 1 42 42 ILE HB H . . . 1 1 41 41 ASP HB2 H . . . . . . . 6.38 . . . . . A . 63 ILE HB . . A . 62 ASP HB2 . . . 63 ILE HB . . . . . 62 ASP- QB . . rr_1k3h 1 949 1 . . 1 1 42 42 ILE H H . . . 1 1 42 42 ILE HB H . . . . . . . 2.96 . . . . . A . 63 ILE H . . A . 63 ILE HB . . . 63 ILE HN . . . . . 63 ILE HB . . rr_1k3h 1 950 1 OR . 1 1 42 42 ILE H H . . . 1 1 42 42 ILE HG12 H . . . . . . . 5.30 . . . . . A . 63 ILE H . . A . 63 ILE HG12 . . . 63 ILE HN . . . . . 63 ILE QG1 . . rr_1k3h 1 950 2 OR . 1 1 42 42 ILE H H . . . 1 1 42 42 ILE HG13 H . . . . . . . 5.30 . . . . . A . 63 ILE H . . A . 63 ILE HG13 . . . 63 ILE HN . . . . . 63 ILE QG1 . . rr_1k3h 1 951 1 . . 1 1 42 42 ILE MD H . . . 1 1 42 42 ILE H H . . . . . . . 5.01 . . . . . A . 63 ILE MD . . A . 63 ILE H . . . 63 ILE QD1 . . . . . 63 ILE HN . . rr_1k3h 1 952 1 . . 1 1 42 42 ILE H H . . . 1 1 43 43 ILE H H . . . . . . . 3.73 . . . . . A . 63 ILE H . . A . 64 ILE H . . . 63 ILE HN . . . . . 64 ILE HN . . rr_1k3h 1 953 1 . . 1 1 42 42 ILE H H . . . 1 1 43 43 ILE HB H . . . . . . . 5.25 . . . . . A . 63 ILE H . . A . 64 ILE HB . . . 63 ILE HN . . . . . 64 ILE HB . . rr_1k3h 1 954 1 . . 1 1 42 42 ILE H H . . . 1 1 44 44 LEU H H . . . . . . . 5.13 . . . . . A . 63 ILE H . . A . 65 LEU H . . . 63 ILE HN . . . . . 65 LEU HN . . rr_1k3h 1 955 1 . . 1 1 42 42 ILE H H . . . 1 1 45 45 ASN H H . . . . . . . 5.50 . . . . . A . 63 ILE H . . A . 66 ASN H . . . 63 ILE HN . . . . . 66 ASN HN . . rr_1k3h 1 956 1 OR . 1 1 42 42 ILE HA H . . . 1 1 42 42 ILE HG12 H . . . . . . . 3.92 . . . . . A . 63 ILE HA . . A . 63 ILE HG12 . . . 63 ILE HA . . . . . 63 ILE QG1 . . rr_1k3h 1 956 2 OR . 1 1 42 42 ILE HA H . . . 1 1 42 42 ILE HG13 H . . . . . . . 3.92 . . . . . A . 63 ILE HA . . A . 63 ILE HG13 . . . 63 ILE HA . . . . . 63 ILE QG1 . . rr_1k3h 1 957 1 . . 1 1 42 42 ILE HA H . . . 1 1 46 46 GLY H H . . . . . . . 4.17 . . . . . A . 63 ILE HA . . A . 67 GLY H . . . 63 ILE HA . . . . . 67 GLY HN . . rr_1k3h 1 958 1 . . 1 1 42 42 ILE HA H . . . 1 1 47 47 GLN HB2 H . . . . . . . 5.50 . . . . . A . 63 ILE HA . . A . 68 GLN HB2 . . . 63 ILE HA . . . . . 68 GLN HB2 . . rr_1k3h 1 959 1 . . 1 1 42 42 ILE HA H . . . 1 1 47 47 GLN HB3 H . . . . . . . 5.50 . . . . . A . 63 ILE HA . . A . 68 GLN HB3 . . . 63 ILE HA . . . . . 68 GLN HB3 . . rr_1k3h 1 960 1 OR . 1 1 42 42 ILE HB H . . . 1 1 42 42 ILE HG12 H . . . . . . . 2.65 . . . . . A . 63 ILE HB . . A . 63 ILE HG12 . . . 63 ILE HB . . . . . 63 ILE QG1 . . rr_1k3h 1 960 2 OR . 1 1 42 42 ILE HB H . . . 1 1 42 42 ILE HG13 H . . . . . . . 2.65 . . . . . A . 63 ILE HB . . A . 63 ILE HG13 . . . 63 ILE HB . . . . . 63 ILE QG1 . . rr_1k3h 1 961 1 . . 1 1 42 42 ILE MD H . . . 1 1 42 42 ILE HB H . . . . . . . 3.46 . . . . . A . 63 ILE MD . . A . 63 ILE HB . . . 63 ILE QD1 . . . . . 63 ILE HB . . rr_1k3h 1 962 1 . . 1 1 42 42 ILE HB H . . . 1 1 43 43 ILE H H . . . . . . . 3.70 . . . . . A . 63 ILE HB . . A . 64 ILE H . . . 63 ILE HB . . . . . 64 ILE HN . . rr_1k3h 1 963 1 . . 1 1 42 42 ILE HB H . . . 1 1 47 47 GLN HB2 H . . . . . . . 5.50 . . . . . A . 63 ILE HB . . A . 68 GLN HB2 . . . 63 ILE HB . . . . . 68 GLN HB2 . . rr_1k3h 1 964 1 . . 1 1 42 42 ILE HB H . . . 1 1 47 47 GLN HB3 H . . . . . . . 5.50 . . . . . A . 63 ILE HB . . A . 68 GLN HB3 . . . 63 ILE HB . . . . . 68 GLN HB3 . . rr_1k3h 1 965 1 . . 1 1 42 42 ILE HB H . . . 1 1 50 50 MET ME H . . . . . . . 6.50 . . . . . A . 63 ILE HB . . A . 71 MET ME . . . 63 ILE HB . . . . . 71 MET QE . . rr_1k3h 1 966 1 . . 1 1 42 42 ILE MG H . . . 1 1 50 50 MET ME H . . . . . . . 6.50 . . . . . A . 63 ILE MG . . A . 71 MET ME . . . 63 ILE QG2 . . . . . 71 MET QE . . rr_1k3h 1 967 1 OR . 1 1 42 42 ILE HG13 H . . . 1 1 47 47 GLN HB2 H . . . . . . . 4.92 . . . . . A . 63 ILE HG13 . . A . 68 GLN HB2 . . . 63 ILE QG1 . . . . . 68 GLN QB . . rr_1k3h 1 967 2 OR . 1 1 42 42 ILE HG12 H . . . 1 1 47 47 GLN HB2 H . . . . . . . 4.92 . . . . . A . 63 ILE HG12 . . A . 68 GLN HB2 . . . 63 ILE QG1 . . . . . 68 GLN QB . . rr_1k3h 1 967 3 OR . 1 1 47 47 GLN HB3 H . . . 1 1 42 42 ILE HG12 H . . . . . . . 4.92 . . . . . A . 68 GLN HB3 . . A . 63 ILE HG12 . . . 68 GLN QB . . . . . 63 ILE QG1 . . rr_1k3h 1 967 4 OR . 1 1 42 42 ILE HG13 H . . . 1 1 47 47 GLN HB3 H . . . . . . . 4.92 . . . . . A . 63 ILE HG13 . . A . 68 GLN HB3 . . . 63 ILE QG1 . . . . . 68 GLN QB . . rr_1k3h 1 968 1 . . 1 1 42 42 ILE MD H . . . 1 1 43 43 ILE H H . . . . . . . 6.28 . . . . . A . 63 ILE MD . . A . 64 ILE H . . . 63 ILE QD1 . . . . . 64 ILE HN . . rr_1k3h 1 969 1 . . 1 1 42 42 ILE MD H . . . 1 1 47 47 GLN HE21 H . . . . . . . 6.00 . . . . . A . 63 ILE MD . . A . 68 GLN HE21 . . . 63 ILE QD1 . . . . . 68 GLN HE21 . . rr_1k3h 1 970 1 . . 1 1 42 42 ILE MD H . . . 1 1 47 47 GLN HE22 H . . . . . . . 5.32 . . . . . A . 63 ILE MD . . A . 68 GLN HE22 . . . 63 ILE QD1 . . . . . 68 GLN HE22 . . rr_1k3h 1 971 1 . . 1 1 43 43 ILE HB H . . . 1 1 43 43 ILE H H . . . . . . . 2.80 . . . . . A . 64 ILE HB . . A . 64 ILE H . . . 64 ILE HB . . . . . 64 ILE HN . . rr_1k3h 1 972 1 . . 1 1 43 43 ILE HG12 H . . . 1 1 43 43 ILE H H . . . . . . . 3.98 . . . . . A . 64 ILE HG12 . . A . 64 ILE H . . . 64 ILE HG12 . . . . . 64 ILE HN . . rr_1k3h 1 973 1 . . 1 1 43 43 ILE HG13 H . . . 1 1 43 43 ILE H H . . . . . . . 3.02 . . . . . A . 64 ILE HG13 . . A . 64 ILE H . . . 64 ILE HG13 . . . . . 64 ILE HN . . rr_1k3h 1 974 1 . . 1 1 43 43 ILE MD H . . . 1 1 43 43 ILE H H . . . . . . . 4.85 . . . . . A . 64 ILE MD . . A . 64 ILE H . . . 64 ILE QD1 . . . . . 64 ILE HN . . rr_1k3h 1 975 1 . . 1 1 43 43 ILE H H . . . 1 1 44 44 LEU H H . . . . . . . 3.61 . . . . . A . 64 ILE H . . A . 65 LEU H . . . 64 ILE HN . . . . . 65 LEU HN . . rr_1k3h 1 976 1 . . 1 1 43 43 ILE H H . . . 1 1 44 44 LEU HG H . . . . . . . 5.50 . . . . . A . 64 ILE H . . A . 65 LEU HG . . . 64 ILE HN . . . . . 65 LEU HG . . rr_1k3h 1 977 1 . . 1 1 43 43 ILE H H . . . 1 1 45 45 ASN H H . . . . . . . 5.34 . . . . . A . 64 ILE H . . A . 66 ASN H . . . 64 ILE HN . . . . . 66 ASN HN . . rr_1k3h 1 978 1 . . 1 1 43 43 ILE H H . . . 1 1 46 46 GLY H H . . . . . . . 5.50 . . . . . A . 64 ILE H . . A . 67 GLY H . . . 64 ILE HN . . . . . 67 GLY HN . . rr_1k3h 1 979 1 . . 1 1 50 50 MET ME H . . . 1 1 43 43 ILE H H . . . . . . . 6.50 . . . . . A . 71 MET ME . . A . 64 ILE H . . . 71 MET QE . . . . . 64 ILE HN . . rr_1k3h 1 980 1 . . 1 1 43 43 ILE HG12 H . . . 1 1 43 43 ILE HA H . . . . . . . 3.55 . . . . . A . 64 ILE HG12 . . A . 64 ILE HA . . . 64 ILE HG12 . . . . . 64 ILE HA . . rr_1k3h 1 981 1 . . 1 1 50 50 MET ME H . . . 1 1 43 43 ILE HA H . . . . . . . 3.00 . . . . . A . 71 MET ME . . A . 64 ILE HA . . . 71 MET QE . . . . . 64 ILE HA . . rr_1k3h 1 982 1 . . 1 1 43 43 ILE HB H . . . 1 1 43 43 ILE MD H . . . . . . . 3.77 . . . . . A . 64 ILE HB . . A . 64 ILE MD . . . 64 ILE HB . . . . . 64 ILE QD1 . . rr_1k3h 1 983 1 . . 1 1 43 43 ILE HB H . . . 1 1 44 44 LEU H H . . . . . . . 3.42 . . . . . A . 64 ILE HB . . A . 65 LEU H . . . 64 ILE HB . . . . . 65 LEU HN . . rr_1k3h 1 984 1 . . 1 1 43 43 ILE HB H . . . 1 1 60 60 ALA MB H . . . . . . . 4.67 . . . . . A . 64 ILE HB . . A . 81 ALA MB . . . 64 ILE HB . . . . . 81 ALA QB . . rr_1k3h 1 985 1 . . 1 1 43 43 ILE MG H . . . 1 1 43 43 ILE HG12 H . . . . . . . 3.80 . . . . . A . 64 ILE MG . . A . 64 ILE HG12 . . . 64 ILE QG2 . . . . . 64 ILE HG12 . . rr_1k3h 1 986 1 . . 1 1 43 43 ILE MG H . . . 1 1 44 44 LEU H H . . . . . . . 5.10 . . . . . A . 64 ILE MG . . A . 65 LEU H . . . 64 ILE QG2 . . . . . 65 LEU HN . . rr_1k3h 1 987 1 . . 1 1 43 43 ILE MG H . . . 1 1 44 44 LEU HA H . . . . . . . 5.29 . . . . . A . 64 ILE MG . . A . 65 LEU HA . . . 64 ILE QG2 . . . . . 65 LEU HA . . rr_1k3h 1 988 1 . . 1 1 43 43 ILE MG H . . . 1 1 50 50 MET ME H . . . . . . . 6.50 . . . . . A . 64 ILE MG . . A . 71 MET ME . . . 64 ILE QG2 . . . . . 71 MET QE . . rr_1k3h 1 989 1 . . 1 1 43 43 ILE MG H . . . 1 1 54 54 ILE H H . . . . . . . 6.03 . . . . . A . 64 ILE MG . . A . 75 ILE H . . . 64 ILE QG2 . . . . . 75 ILE HN . . rr_1k3h 1 990 1 . . 1 1 43 43 ILE MG H . . . 1 1 55 55 ALA H H . . . . . . . 4.33 . . . . . A . 64 ILE MG . . A . 76 ALA H . . . 64 ILE QG2 . . . . . 76 ALA HN . . rr_1k3h 1 991 1 . . 1 1 43 43 ILE MG H . . . 1 1 60 60 ALA HA H . . . . . . . 4.42 . . . . . A . 64 ILE MG . . A . 81 ALA HA . . . 64 ILE QG2 . . . . . 81 ALA HA . . rr_1k3h 1 992 1 . . 1 1 43 43 ILE MG H . . . 1 1 60 60 ALA MB H . . . . . . . 5.60 . . . . . A . 64 ILE MG . . A . 81 ALA MB . . . 64 ILE QG2 . . . . . 81 ALA QB . . rr_1k3h 1 993 1 . . 1 1 43 43 ILE HG12 H . . . 1 1 44 44 LEU H H . . . . . . . 5.50 . . . . . A . 64 ILE HG12 . . A . 65 LEU H . . . 64 ILE HG12 . . . . . 65 LEU HN . . rr_1k3h 1 994 1 . . 1 1 43 43 ILE HG12 H . . . 1 1 50 50 MET ME H . . . . . . . 6.50 . . . . . A . 64 ILE HG12 . . A . 71 MET ME . . . 64 ILE HG12 . . . . . 71 MET QE . . rr_1k3h 1 995 1 . . 1 1 43 43 ILE HG12 H . . . 1 1 60 60 ALA HA H . . . . . . . 5.50 . . . . . A . 64 ILE HG12 . . A . 81 ALA HA . . . 64 ILE HG12 . . . . . 81 ALA HA . . rr_1k3h 1 996 1 . . 1 1 43 43 ILE HG12 H . . . 1 1 60 60 ALA MB H . . . . . . . 6.53 . . . . . A . 64 ILE HG12 . . A . 81 ALA MB . . . 64 ILE HG12 . . . . . 81 ALA QB . . rr_1k3h 1 997 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 43 43 ILE HG12 H . . . . . . . 5.94 . . . . . A . 84 VAL MG1 . . A . 64 ILE HG12 . . . 84 VAL QG1 . . . . . 64 ILE HG12 . . rr_1k3h 1 998 1 . . 1 1 43 43 ILE HG13 H . . . 1 1 50 50 MET ME H . . . . . . . 6.50 . . . . . A . 64 ILE HG13 . . A . 71 MET ME . . . 64 ILE HG13 . . . . . 71 MET QE . . rr_1k3h 1 999 1 . . 1 1 43 43 ILE MD H . . . 1 1 44 44 LEU H H . . . . . . . 6.25 . . . . . A . 64 ILE MD . . A . 65 LEU H . . . 64 ILE QD1 . . . . . 65 LEU HN . . rr_1k3h 1 1000 1 . . 1 1 55 55 ALA MB H . . . 1 1 43 43 ILE MD H . . . . . . . 6.81 . . . . . A . 76 ALA MB . . A . 64 ILE MD . . . 76 ALA QB . . . . . 64 ILE QD1 . . rr_1k3h 1 1001 1 . . 1 1 43 43 ILE MD H . . . 1 1 60 60 ALA HA H . . . . . . . 4.64 . . . . . A . 64 ILE MD . . A . 81 ALA HA . . . 64 ILE QD1 . . . . . 81 ALA HA . . rr_1k3h 1 1002 1 . . 1 1 43 43 ILE MD H . . . 1 1 60 60 ALA MB H . . . . . . . 6.59 . . . . . A . 64 ILE MD . . A . 81 ALA MB . . . 64 ILE QD1 . . . . . 81 ALA QB . . rr_1k3h 1 1003 1 . . 1 1 63 63 VAL H H . . . 1 1 43 43 ILE MD H . . . . . . . 6.16 . . . . . A . 84 VAL H . . A . 64 ILE MD . . . 84 VAL HN . . . . . 64 ILE QD1 . . rr_1k3h 1 1004 1 . . 1 1 43 43 ILE MD H . . . 1 1 64 64 ALA H H . . . . . . . 5.01 . . . . . A . 64 ILE MD . . A . 85 ALA H . . . 64 ILE QD1 . . . . . 85 ALA HN . . rr_1k3h 1 1005 1 . . 1 1 43 43 ILE MD H . . . 1 1 64 64 ALA HA H . . . . . . . 4.98 . . . . . A . 64 ILE MD . . A . 85 ALA HA . . . 64 ILE QD1 . . . . . 85 ALA HA . . rr_1k3h 1 1006 1 . . 1 1 44 44 LEU H H . . . 1 1 44 44 LEU HB2 H . . . . . . . 3.83 . . . . . A . 65 LEU H . . A . 65 LEU HB2 . . . 65 LEU HN . . . . . 65 LEU HB2 . . rr_1k3h 1 1007 1 . . 1 1 44 44 LEU H H . . . 1 1 44 44 LEU HB3 H . . . . . . . 3.83 . . . . . A . 65 LEU H . . A . 65 LEU HB3 . . . 65 LEU HN . . . . . 65 LEU HB3 . . rr_1k3h 1 1008 1 OR . 1 1 44 44 LEU H H . . . 1 1 44 44 LEU HB3 H . . . . . . . 3.54 . . . . . A . 65 LEU H . . A . 65 LEU HB3 . . . 65 LEU HN . . . . . 65 LEU QB . . rr_1k3h 1 1008 2 OR . 1 1 44 44 LEU H H . . . 1 1 44 44 LEU HB2 H . . . . . . . 3.54 . . . . . A . 65 LEU H . . A . 65 LEU HB2 . . . 65 LEU HN . . . . . 65 LEU QB . . rr_1k3h 1 1009 1 . . 1 1 44 44 LEU H H . . . 1 1 44 44 LEU HG H . . . . . . . 3.11 . . . . . A . 65 LEU H . . A . 65 LEU HG . . . 65 LEU HN . . . . . 65 LEU HG . . rr_1k3h 1 1010 1 OR . 1 1 44 44 LEU H H . . . 1 1 44 44 LEU MD1 H . . . . . . . 5.87 . . . . . A . 65 LEU H . . A . 65 LEU MD1 . . . 65 LEU HN . . . . . 65 LEU QQD . . rr_1k3h 1 1010 2 OR . 1 1 44 44 LEU H H . . . 1 1 44 44 LEU MD2 H . . . . . . . 5.87 . . . . . A . 65 LEU H . . A . 65 LEU MD2 . . . 65 LEU HN . . . . . 65 LEU QQD . . rr_1k3h 1 1011 1 . . 1 1 44 44 LEU H H . . . 1 1 45 45 ASN H H . . . . . . . 3.61 . . . . . A . 65 LEU H . . A . 66 ASN H . . . 65 LEU HN . . . . . 66 ASN HN . . rr_1k3h 1 1012 1 . . 1 1 44 44 LEU H H . . . 1 1 46 46 GLY H H . . . . . . . 5.00 . . . . . A . 65 LEU H . . A . 67 GLY H . . . 65 LEU HN . . . . . 67 GLY HN . . rr_1k3h 1 1013 1 . . 1 1 44 44 LEU H H . . . 1 1 60 60 ALA MB H . . . . . . . 6.31 . . . . . A . 65 LEU H . . A . 81 ALA MB . . . 65 LEU HN . . . . . 81 ALA QB . . rr_1k3h 1 1014 1 . . 1 1 44 44 LEU HA H . . . 1 1 53 53 GLY H H . . . . . . . 3.86 . . . . . A . 65 LEU HA . . A . 74 GLY H . . . 65 LEU HA . . . . . 74 GLY HN . . rr_1k3h 1 1015 1 . . 1 1 44 44 LEU HA H . . . 1 1 53 53 GLY HA2 H . . . . . . . 5.34 . . . . . A . 65 LEU HA . . A . 74 GLY HA2 . . . 65 LEU HA . . . . . 74 GLY HA1 . . rr_1k3h 1 1016 1 . . 1 1 54 54 ILE H H . . . 1 1 44 44 LEU HA H . . . . . . . 5.50 . . . . . A . 75 ILE H . . A . 65 LEU HA . . . 75 ILE HN . . . . . 65 LEU HA . . rr_1k3h 1 1017 1 . . 1 1 44 44 LEU HB2 H . . . 1 1 45 45 ASN H H . . . . . . . 3.92 . . . . . A . 65 LEU HB2 . . A . 66 ASN H . . . 65 LEU HB2 . . . . . 66 ASN HN . . rr_1k3h 1 1018 1 . . 1 1 44 44 LEU HB2 H . . . 1 1 45 45 ASN HD21 H . . . . . . . 7.23 . . . . . A . 65 LEU HB2 . . A . 66 ASN HD21 . . . 65 LEU HB2 . . . . . 66 ASN HD21 . . rr_1k3h 1 1019 1 . . 1 1 44 44 LEU HB2 H . . . 1 1 45 45 ASN HD22 H . . . . . . . 7.23 . . . . . A . 65 LEU HB2 . . A . 66 ASN HD22 . . . 65 LEU HB2 . . . . . 66 ASN HD22 . . rr_1k3h 1 1020 1 . . 1 1 45 45 ASN H H . . . 1 1 44 44 LEU HB3 H . . . . . . . 3.92 . . . . . A . 66 ASN H . . A . 65 LEU HB3 . . . 66 ASN HN . . . . . 65 LEU HB3 . . rr_1k3h 1 1021 1 . . 1 1 45 45 ASN HD21 H . . . 1 1 44 44 LEU HB3 H . . . . . . . 7.23 . . . . . A . 66 ASN HD21 . . A . 65 LEU HB3 . . . 66 ASN HD21 . . . . . 65 LEU HB3 . . rr_1k3h 1 1022 1 . . 1 1 45 45 ASN HD22 H . . . 1 1 44 44 LEU HB3 H . . . . . . . 7.23 . . . . . A . 66 ASN HD22 . . A . 65 LEU HB3 . . . 66 ASN HD22 . . . . . 65 LEU HB3 . . rr_1k3h 1 1023 1 OR . 1 1 45 45 ASN H H . . . 1 1 44 44 LEU HB3 H . . . . . . . 3.65 . . . . . A . 66 ASN H . . A . 65 LEU HB3 . . . 66 ASN HN . . . . . 65 LEU QB . . rr_1k3h 1 1023 2 OR . 1 1 44 44 LEU HB2 H . . . 1 1 45 45 ASN H H . . . . . . . 3.65 . . . . . A . 65 LEU HB2 . . A . 66 ASN H . . . 65 LEU QB . . . . . 66 ASN HN . . rr_1k3h 1 1024 1 OR . 1 1 44 44 LEU HB2 H . . . 1 1 45 45 ASN HD22 H . . . . . . . 5.85 . . . . . A . 65 LEU HB2 . . A . 66 ASN HD22 . . . 65 LEU QB . . . . . 66 ASN QD2 . . rr_1k3h 1 1024 2 OR . 1 1 45 45 ASN HD22 H . . . 1 1 44 44 LEU HB3 H . . . . . . . 5.85 . . . . . A . 66 ASN HD22 . . A . 65 LEU HB3 . . . 66 ASN QD2 . . . . . 65 LEU QB . . rr_1k3h 1 1024 3 OR . 1 1 44 44 LEU HB2 H . . . 1 1 45 45 ASN HD21 H . . . . . . . 5.85 . . . . . A . 65 LEU HB2 . . A . 66 ASN HD21 . . . 65 LEU QB . . . . . 66 ASN QD2 . . rr_1k3h 1 1024 4 OR . 1 1 45 45 ASN HD21 H . . . 1 1 44 44 LEU HB3 H . . . . . . . 5.85 . . . . . A . 66 ASN HD21 . . A . 65 LEU HB3 . . . 66 ASN QD2 . . . . . 65 LEU QB . . rr_1k3h 1 1025 1 OR . 1 1 46 46 GLY H H . . . 1 1 44 44 LEU HB3 H . . . . . . . 6.19 . . . . . A . 67 GLY H . . A . 65 LEU HB3 . . . 67 GLY HN . . . . . 65 LEU QB . . rr_1k3h 1 1025 2 OR . 1 1 44 44 LEU HB2 H . . . 1 1 46 46 GLY H H . . . . . . . 6.19 . . . . . A . 65 LEU HB2 . . A . 67 GLY H . . . 65 LEU QB . . . . . 67 GLY HN . . rr_1k3h 1 1026 1 . . 1 1 45 45 ASN H H . . . 1 1 44 44 LEU HG H . . . . . . . 5.50 . . . . . A . 66 ASN H . . A . 65 LEU HG . . . 66 ASN HN . . . . . 65 LEU HG . . rr_1k3h 1 1027 1 . . 1 1 60 60 ALA MB H . . . 1 1 44 44 LEU HG H . . . . . . . 4.98 . . . . . A . 81 ALA MB . . A . 65 LEU HG . . . 81 ALA QB . . . . . 65 LEU HG . . rr_1k3h 1 1028 1 OR . 1 1 45 45 ASN H H . . . 1 1 44 44 LEU MD1 H . . . . . . . 7.07 . . . . . A . 66 ASN H . . A . 65 LEU MD1 . . . 66 ASN HN . . . . . 65 LEU QQD . . rr_1k3h 1 1028 2 OR . 1 1 44 44 LEU MD2 H . . . 1 1 45 45 ASN H H . . . . . . . 7.07 . . . . . A . 65 LEU MD2 . . A . 66 ASN H . . . 65 LEU QQD . . . . . 66 ASN HN . . rr_1k3h 1 1029 1 OR . 1 1 44 44 LEU MD2 H . . . 1 1 45 45 ASN HD21 H . . . . . . . 8.81 . . . . . A . 65 LEU MD2 . . A . 66 ASN HD21 . . . 65 LEU QQD . . . . . 66 ASN QD2 . . rr_1k3h 1 1029 2 OR . 1 1 44 44 LEU MD2 H . . . 1 1 45 45 ASN HD22 H . . . . . . . 8.81 . . . . . A . 65 LEU MD2 . . A . 66 ASN HD22 . . . 65 LEU QQD . . . . . 66 ASN QD2 . . rr_1k3h 1 1029 3 OR . 1 1 45 45 ASN HD21 H . . . 1 1 44 44 LEU MD1 H . . . . . . . 8.81 . . . . . A . 66 ASN HD21 . . A . 65 LEU MD1 . . . 66 ASN QD2 . . . . . 65 LEU QQD . . rr_1k3h 1 1029 4 OR . 1 1 45 45 ASN HD22 H . . . 1 1 44 44 LEU MD1 H . . . . . . . 8.81 . . . . . A . 66 ASN HD22 . . A . 65 LEU MD1 . . . 66 ASN QD2 . . . . . 65 LEU QQD . . rr_1k3h 1 1030 1 OR . 1 1 55 55 ALA H H . . . 1 1 44 44 LEU MD1 H . . . . . . . 8.10 . . . . . A . 76 ALA H . . A . 65 LEU MD1 . . . 76 ALA HN . . . . . 65 LEU QQD . . rr_1k3h 1 1030 2 OR . 1 1 55 55 ALA H H . . . 1 1 44 44 LEU MD2 H . . . . . . . 8.10 . . . . . A . 76 ALA H . . A . 65 LEU MD2 . . . 76 ALA HN . . . . . 65 LEU QQD . . rr_1k3h 1 1031 1 OR . 1 1 56 56 LYS HA H . . . 1 1 44 44 LEU MD1 H . . . . . . . 5.46 . . . . . A . 77 LYS HA . . A . 65 LEU MD1 . . . 77 LYS+ HA . . . . . 65 LEU QQD . . rr_1k3h 1 1031 2 OR . 1 1 44 44 LEU MD2 H . . . 1 1 56 56 LYS HA H . . . . . . . 5.46 . . . . . A . 65 LEU MD2 . . A . 77 LYS HA . . . 65 LEU QQD . . . . . 77 LYS+ HA . . rr_1k3h 1 1032 1 OR . 1 1 57 57 GLY H H . . . 1 1 44 44 LEU MD1 H . . . . . . . 5.90 . . . . . A . 78 GLY H . . A . 65 LEU MD1 . . . 78 GLY HN . . . . . 65 LEU QQD . . rr_1k3h 1 1032 2 OR . 1 1 44 44 LEU MD2 H . . . 1 1 57 57 GLY H H . . . . . . . 5.90 . . . . . A . 65 LEU MD2 . . A . 78 GLY H . . . 65 LEU QQD . . . . . 78 GLY HN . . rr_1k3h 1 1033 1 OR . 1 1 44 44 LEU MD1 H . . . 1 1 57 57 GLY HA3 H . . . . . . . 8.98 . . . . . A . 65 LEU MD1 . . A . 78 GLY HA3 . . . 65 LEU QQD . . . . . 78 GLY QA . . rr_1k3h 1 1033 2 OR . 1 1 44 44 LEU MD2 H . . . 1 1 57 57 GLY HA3 H . . . . . . . 8.98 . . . . . A . 65 LEU MD2 . . A . 78 GLY HA3 . . . 65 LEU QQD . . . . . 78 GLY QA . . rr_1k3h 1 1033 3 OR . 1 1 57 57 GLY HA2 H . . . 1 1 44 44 LEU MD1 H . . . . . . . 8.98 . . . . . A . 78 GLY HA2 . . A . 65 LEU MD1 . . . 78 GLY QA . . . . . 65 LEU QQD . . rr_1k3h 1 1033 4 OR . 1 1 44 44 LEU MD2 H . . . 1 1 57 57 GLY HA2 H . . . . . . . 8.98 . . . . . A . 65 LEU MD2 . . A . 78 GLY HA2 . . . 65 LEU QQD . . . . . 78 GLY QA . . rr_1k3h 1 1034 1 OR . 1 1 60 60 ALA H H . . . 1 1 44 44 LEU MD1 H . . . . . . . 8.10 . . . . . A . 81 ALA H . . A . 65 LEU MD1 . . . 81 ALA HN . . . . . 65 LEU QQD . . rr_1k3h 1 1034 2 OR . 1 1 44 44 LEU MD2 H . . . 1 1 60 60 ALA H H . . . . . . . 8.10 . . . . . A . 65 LEU MD2 . . A . 81 ALA H . . . 65 LEU QQD . . . . . 81 ALA HN . . rr_1k3h 1 1035 1 OR . 1 1 60 60 ALA HA H . . . 1 1 44 44 LEU MD1 H . . . . . . . 8.10 . . . . . A . 81 ALA HA . . A . 65 LEU MD1 . . . 81 ALA HA . . . . . 65 LEU QQD . . rr_1k3h 1 1035 2 OR . 1 1 44 44 LEU MD2 H . . . 1 1 60 60 ALA HA H . . . . . . . 8.10 . . . . . A . 65 LEU MD2 . . A . 81 ALA HA . . . 65 LEU QQD . . . . . 81 ALA HA . . rr_1k3h 1 1036 1 OR . 1 1 60 60 ALA MB H . . . 1 1 44 44 LEU MD1 H . . . . . . . 7.20 . . . . . A . 81 ALA MB . . A . 65 LEU MD1 . . . 81 ALA QB . . . . . 65 LEU QQD . . rr_1k3h 1 1036 2 OR . 1 1 60 60 ALA MB H . . . 1 1 44 44 LEU MD2 H . . . . . . . 7.20 . . . . . A . 81 ALA MB . . A . 65 LEU MD2 . . . 81 ALA QB . . . . . 65 LEU QQD . . rr_1k3h 1 1037 1 . . 1 1 45 45 ASN H H . . . 1 1 45 45 ASN HB2 H . . . . . . . 3.45 . . . . . A . 66 ASN H . . A . 66 ASN HB2 . . . 66 ASN HN . . . . . 66 ASN HB2 . . rr_1k3h 1 1038 1 . . 1 1 45 45 ASN H H . . . 1 1 45 45 ASN HB3 H . . . . . . . 3.95 . . . . . A . 66 ASN H . . A . 66 ASN HB3 . . . 66 ASN HN . . . . . 66 ASN HB3 . . rr_1k3h 1 1039 1 . . 1 1 45 45 ASN H H . . . 1 1 45 45 ASN HD21 H . . . . . . . 5.50 . . . . . A . 66 ASN H . . A . 66 ASN HD21 . . . 66 ASN HN . . . . . 66 ASN HD21 . . rr_1k3h 1 1040 1 . . 1 1 45 45 ASN H H . . . 1 1 45 45 ASN HD22 H . . . . . . . 5.50 . . . . . A . 66 ASN H . . A . 66 ASN HD22 . . . 66 ASN HN . . . . . 66 ASN HD22 . . rr_1k3h 1 1041 1 OR . 1 1 45 45 ASN H H . . . 1 1 45 45 ASN HD21 H . . . . . . . 5.29 . . . . . A . 66 ASN H . . A . 66 ASN HD21 . . . 66 ASN HN . . . . . 66 ASN QD2 . . rr_1k3h 1 1041 2 OR . 1 1 45 45 ASN H H . . . 1 1 45 45 ASN HD22 H . . . . . . . 5.29 . . . . . A . 66 ASN H . . A . 66 ASN HD22 . . . 66 ASN HN . . . . . 66 ASN QD2 . . rr_1k3h 1 1042 1 . . 1 1 45 45 ASN H H . . . 1 1 46 46 GLY H H . . . . . . . 3.14 . . . . . A . 66 ASN H . . A . 67 GLY H . . . 66 ASN HN . . . . . 67 GLY HN . . rr_1k3h 1 1043 1 . . 1 1 45 45 ASN H H . . . 1 1 46 46 GLY HA2 H . . . . . . . 4.85 . . . . . A . 66 ASN H . . A . 67 GLY HA2 . . . 66 ASN HN . . . . . 67 GLY HA1 . . rr_1k3h 1 1044 1 . . 1 1 45 45 ASN H H . . . 1 1 46 46 GLY HA3 H . . . . . . . 5.25 . . . . . A . 66 ASN H . . A . 67 GLY HA3 . . . 66 ASN HN . . . . . 67 GLY HA2 . . rr_1k3h 1 1045 1 . . 1 1 45 45 ASN H H . . . 1 1 52 52 GLY HA2 H . . . . . . . 5.50 . . . . . A . 66 ASN H . . A . 73 GLY HA2 . . . 66 ASN HN . . . . . 73 GLY HA1 . . rr_1k3h 1 1046 1 . . 1 1 45 45 ASN H H . . . 1 1 52 52 GLY HA3 H . . . . . . . 5.50 . . . . . A . 66 ASN H . . A . 73 GLY HA3 . . . 66 ASN HN . . . . . 73 GLY HA2 . . rr_1k3h 1 1047 1 . . 1 1 45 45 ASN H H . . . 1 1 53 53 GLY H H . . . . . . . 5.50 . . . . . A . 66 ASN H . . A . 74 GLY H . . . 66 ASN HN . . . . . 74 GLY HN . . rr_1k3h 1 1048 1 . . 1 1 45 45 ASN HD21 H . . . 1 1 45 45 ASN HA H . . . . . . . 5.50 . . . . . A . 66 ASN HD21 . . A . 66 ASN HA . . . 66 ASN HD21 . . . . . 66 ASN HA . . rr_1k3h 1 1049 1 . . 1 1 45 45 ASN HD22 H . . . 1 1 45 45 ASN HA H . . . . . . . 5.50 . . . . . A . 66 ASN HD22 . . A . 66 ASN HA . . . 66 ASN HD22 . . . . . 66 ASN HA . . rr_1k3h 1 1050 1 . . 1 1 46 46 GLY HA2 H . . . 1 1 45 45 ASN HA H . . . . . . . 5.50 . . . . . A . 67 GLY HA2 . . A . 66 ASN HA . . . 67 GLY HA1 . . . . . 66 ASN HA . . rr_1k3h 1 1051 1 . . 1 1 46 46 GLY HA3 H . . . 1 1 45 45 ASN HA H . . . . . . . 5.50 . . . . . A . 67 GLY HA3 . . A . 66 ASN HA . . . 67 GLY HA2 . . . . . 66 ASN HA . . rr_1k3h 1 1052 1 OR . 1 1 45 45 ASN HA H . . . 1 1 52 52 GLY HA3 H . . . . . . . 5.98 . . . . . A . 66 ASN HA . . A . 73 GLY HA3 . . . 66 ASN HA . . . . . 73 GLY QA . . rr_1k3h 1 1052 2 OR . 1 1 45 45 ASN HA H . . . 1 1 52 52 GLY HA2 H . . . . . . . 5.98 . . . . . A . 66 ASN HA . . A . 73 GLY HA2 . . . 66 ASN HA . . . . . 73 GLY QA . . rr_1k3h 1 1053 1 . . 1 1 53 53 GLY H H . . . 1 1 45 45 ASN HA H . . . . . . . 4.85 . . . . . A . 74 GLY H . . A . 66 ASN HA . . . 74 GLY HN . . . . . 66 ASN HA . . rr_1k3h 1 1054 1 . . 1 1 46 46 GLY H H . . . 1 1 45 45 ASN HB2 H . . . . . . . 4.45 . . . . . A . 67 GLY H . . A . 66 ASN HB2 . . . 67 GLY HN . . . . . 66 ASN HB2 . . rr_1k3h 1 1055 1 . . 1 1 46 46 GLY H H . . . 1 1 45 45 ASN HB3 H . . . . . . . 4.85 . . . . . A . 67 GLY H . . A . 66 ASN HB3 . . . 67 GLY HN . . . . . 66 ASN HB3 . . rr_1k3h 1 1056 1 . . 1 1 46 46 GLY H H . . . 1 1 47 47 GLN H H . . . . . . . 4.94 . . . . . A . 67 GLY H . . A . 68 GLN H . . . 67 GLY HN . . . . . 68 GLN HN . . rr_1k3h 1 1057 1 . . 1 1 46 46 GLY H H . . . 1 1 52 52 GLY H H . . . . . . . 5.50 . . . . . A . 67 GLY H . . A . 73 GLY H . . . 67 GLY HN . . . . . 73 GLY HN . . rr_1k3h 1 1058 1 . . 1 1 46 46 GLY H H . . . 1 1 52 52 GLY HA2 H . . . . . . . 4.38 . . . . . A . 67 GLY H . . A . 73 GLY HA2 . . . 67 GLY HN . . . . . 73 GLY HA1 . . rr_1k3h 1 1059 1 . . 1 1 46 46 GLY H H . . . 1 1 52 52 GLY HA3 H . . . . . . . 4.38 . . . . . A . 67 GLY H . . A . 73 GLY HA3 . . . 67 GLY HN . . . . . 73 GLY HA2 . . rr_1k3h 1 1060 1 OR . 1 1 46 46 GLY H H . . . 1 1 52 52 GLY HA3 H . . . . . . . 4.20 . . . . . A . 67 GLY H . . A . 73 GLY HA3 . . . 67 GLY HN . . . . . 73 GLY QA . . rr_1k3h 1 1060 2 OR . 1 1 46 46 GLY H H . . . 1 1 52 52 GLY HA2 H . . . . . . . 4.20 . . . . . A . 67 GLY H . . A . 73 GLY HA2 . . . 67 GLY HN . . . . . 73 GLY QA . . rr_1k3h 1 1061 1 . . 1 1 46 46 GLY H H . . . 1 1 53 53 GLY H H . . . . . . . 5.22 . . . . . A . 67 GLY H . . A . 74 GLY H . . . 67 GLY HN . . . . . 74 GLY HN . . rr_1k3h 1 1062 1 OR . 1 1 46 46 GLY HA2 H . . . 1 1 50 50 MET HB3 H . . . . . . . 6.10 . . . . . A . 67 GLY HA2 . . A . 71 MET HB3 . . . 67 GLY HA1 . . . . . 71 MET QB . . rr_1k3h 1 1062 2 OR . 1 1 50 50 MET HB2 H . . . 1 1 46 46 GLY HA2 H . . . . . . . 6.10 . . . . . A . 71 MET HB2 . . A . 67 GLY HA2 . . . 71 MET QB . . . . . 67 GLY HA1 . . rr_1k3h 1 1063 1 OR . 1 1 46 46 GLY HA2 H . . . 1 1 50 50 MET HG3 H . . . . . . . 6.38 . . . . . A . 67 GLY HA2 . . A . 71 MET HG3 . . . 67 GLY HA1 . . . . . 71 MET QG . . rr_1k3h 1 1063 2 OR . 1 1 50 50 MET HG2 H . . . 1 1 46 46 GLY HA2 H . . . . . . . 6.38 . . . . . A . 71 MET HG2 . . A . 67 GLY HA2 . . . 71 MET QG . . . . . 67 GLY HA1 . . rr_1k3h 1 1064 1 . . 1 1 50 50 MET ME H . . . 1 1 46 46 GLY HA2 H . . . . . . . 6.50 . . . . . A . 71 MET ME . . A . 67 GLY HA2 . . . 71 MET QE . . . . . 67 GLY HA1 . . rr_1k3h 1 1065 1 . . 1 1 46 46 GLY HA2 H . . . 1 1 52 52 GLY H H . . . . . . . 4.82 . . . . . A . 67 GLY HA2 . . A . 73 GLY H . . . 67 GLY HA1 . . . . . 73 GLY HN . . rr_1k3h 1 1066 1 . . 1 1 46 46 GLY HA2 H . . . 1 1 52 52 GLY HA2 H . . . . . . . 4.29 . . . . . A . 67 GLY HA2 . . A . 73 GLY HA2 . . . 67 GLY HA1 . . . . . 73 GLY HA1 . . rr_1k3h 1 1067 1 . . 1 1 46 46 GLY HA2 H . . . 1 1 52 52 GLY HA3 H . . . . . . . 4.29 . . . . . A . 67 GLY HA2 . . A . 73 GLY HA3 . . . 67 GLY HA1 . . . . . 73 GLY HA2 . . rr_1k3h 1 1068 1 OR . 1 1 46 46 GLY HA2 H . . . 1 1 52 52 GLY HA3 H . . . . . . . 4.06 . . . . . A . 67 GLY HA2 . . A . 73 GLY HA3 . . . 67 GLY HA1 . . . . . 73 GLY QA . . rr_1k3h 1 1068 2 OR . 1 1 46 46 GLY HA2 H . . . 1 1 52 52 GLY HA2 H . . . . . . . 4.06 . . . . . A . 67 GLY HA2 . . A . 73 GLY HA2 . . . 67 GLY HA1 . . . . . 73 GLY QA . . rr_1k3h 1 1069 1 . . 1 1 46 46 GLY HA3 H . . . 1 1 47 47 GLN HA H . . . . . . . 5.47 . . . . . A . 67 GLY HA3 . . A . 68 GLN HA . . . 67 GLY HA2 . . . . . 68 GLN HA . . rr_1k3h 1 1070 1 OR . 1 1 46 46 GLY HA3 H . . . 1 1 50 50 MET HB3 H . . . . . . . 5.95 . . . . . A . 67 GLY HA3 . . A . 71 MET HB3 . . . 67 GLY HA2 . . . . . 71 MET QB . . rr_1k3h 1 1070 2 OR . 1 1 50 50 MET HB2 H . . . 1 1 46 46 GLY HA3 H . . . . . . . 5.95 . . . . . A . 71 MET HB2 . . A . 67 GLY HA3 . . . 71 MET QB . . . . . 67 GLY HA2 . . rr_1k3h 1 1071 1 . . 1 1 50 50 MET ME H . . . 1 1 46 46 GLY HA3 H . . . . . . . 6.50 . . . . . A . 71 MET ME . . A . 67 GLY HA3 . . . 71 MET QE . . . . . 67 GLY HA2 . . rr_1k3h 1 1072 1 . . 1 1 46 46 GLY HA3 H . . . 1 1 51 51 PRO HA H . . . . . . . 4.91 . . . . . A . 67 GLY HA3 . . A . 72 PRO HA . . . 67 GLY HA2 . . . . . 72 PRO HA . . rr_1k3h 1 1073 1 . . 1 1 46 46 GLY HA3 H . . . 1 1 52 52 GLY H H . . . . . . . 4.20 . . . . . A . 67 GLY HA3 . . A . 73 GLY H . . . 67 GLY HA2 . . . . . 73 GLY HN . . rr_1k3h 1 1074 1 . . 1 1 46 46 GLY HA3 H . . . 1 1 52 52 GLY HA2 H . . . . . . . 3.86 . . . . . A . 67 GLY HA3 . . A . 73 GLY HA2 . . . 67 GLY HA2 . . . . . 73 GLY HA1 . . rr_1k3h 1 1075 1 . . 1 1 46 46 GLY HA3 H . . . 1 1 52 52 GLY HA3 H . . . . . . . 3.86 . . . . . A . 67 GLY HA3 . . A . 73 GLY HA3 . . . 67 GLY HA2 . . . . . 73 GLY HA2 . . rr_1k3h 1 1076 1 OR . 1 1 46 46 GLY HA3 H . . . 1 1 52 52 GLY HA3 H . . . . . . . 3.44 . . . . . A . 67 GLY HA3 . . A . 73 GLY HA3 . . . 67 GLY HA2 . . . . . 73 GLY QA . . rr_1k3h 1 1076 2 OR . 1 1 46 46 GLY HA3 H . . . 1 1 52 52 GLY HA2 H . . . . . . . 3.44 . . . . . A . 67 GLY HA3 . . A . 73 GLY HA2 . . . 67 GLY HA2 . . . . . 73 GLY QA . . rr_1k3h 1 1077 1 . . 1 1 54 54 ILE HB H . . . 1 1 46 46 GLY HA3 H . . . . . . . 5.50 . . . . . A . 75 ILE HB . . A . 67 GLY HA3 . . . 75 ILE HB . . . . . 67 GLY HA2 . . rr_1k3h 1 1078 1 . . 1 1 47 47 GLN H H . . . 1 1 48 48 GLY H H . . . . . . . 5.13 . . . . . A . 68 GLN H . . A . 69 GLY H . . . 68 GLN HN . . . . . 69 GLY HN . . rr_1k3h 1 1079 1 . . 1 1 50 50 MET H H . . . 1 1 47 47 GLN H H . . . . . . . 4.85 . . . . . A . 71 MET H . . A . 68 GLN H . . . 71 MET HN . . . . . 68 GLN HN . . rr_1k3h 1 1080 1 OR . 1 1 47 47 GLN HA H . . . 1 1 47 47 GLN HG3 H . . . . . . . 3.93 . . . . . A . 68 GLN HA . . A . 68 GLN HG3 . . . 68 GLN HA . . . . . 68 GLN QG . . rr_1k3h 1 1080 2 OR . 1 1 47 47 GLN HA H . . . 1 1 47 47 GLN HG2 H . . . . . . . 3.93 . . . . . A . 68 GLN HA . . A . 68 GLN HG2 . . . 68 GLN HA . . . . . 68 GLN QG . . rr_1k3h 1 1081 1 . . 1 1 47 47 GLN HA H . . . 1 1 48 48 GLY H H . . . . . . . 2.96 . . . . . A . 68 GLN HA . . A . 69 GLY H . . . 68 GLN HA . . . . . 69 GLY HN . . rr_1k3h 1 1082 1 . . 1 1 47 47 GLN HA H . . . 1 1 48 48 GLY HA2 H . . . . . . . 5.04 . . . . . A . 68 GLN HA . . A . 69 GLY HA2 . . . 68 GLN HA . . . . . 69 GLY HA1 . . rr_1k3h 1 1083 1 . . 1 1 47 47 GLN HA H . . . 1 1 48 48 GLY HA3 H . . . . . . . 5.50 . . . . . A . 68 GLN HA . . A . 69 GLY HA3 . . . 68 GLN HA . . . . . 69 GLY HA2 . . rr_1k3h 1 1084 1 . . 1 1 47 47 GLN HE21 H . . . 1 1 47 47 GLN HB2 H . . . . . . . 5.50 . . . . . A . 68 GLN HE21 . . A . 68 GLN HB2 . . . 68 GLN HE21 . . . . . 68 GLN HB2 . . rr_1k3h 1 1085 1 . . 1 1 48 48 GLY H H . . . 1 1 47 47 GLN HB2 H . . . . . . . 5.50 . . . . . A . 69 GLY H . . A . 68 GLN HB2 . . . 69 GLY HN . . . . . 68 GLN HB2 . . rr_1k3h 1 1086 1 . . 1 1 47 47 GLN HE21 H . . . 1 1 47 47 GLN HB3 H . . . . . . . 5.50 . . . . . A . 68 GLN HE21 . . A . 68 GLN HB3 . . . 68 GLN HE21 . . . . . 68 GLN HB3 . . rr_1k3h 1 1087 1 . . 1 1 47 47 GLN HB3 H . . . 1 1 48 48 GLY H H . . . . . . . 5.50 . . . . . A . 68 GLN HB3 . . A . 69 GLY H . . . 68 GLN HB3 . . . . . 69 GLY HN . . rr_1k3h 1 1088 1 OR . 1 1 47 47 GLN HB3 H . . . 1 1 50 50 MET HB3 H . . . . . . . 7.25 . . . . . A . 68 GLN HB3 . . A . 71 MET HB3 . . . 68 GLN QB . . . . . 71 MET QB . . rr_1k3h 1 1088 2 OR . 1 1 47 47 GLN HB2 H . . . 1 1 50 50 MET HB3 H . . . . . . . 7.25 . . . . . A . 68 GLN HB2 . . A . 71 MET HB3 . . . 68 GLN QB . . . . . 71 MET QB . . rr_1k3h 1 1088 3 OR . 1 1 50 50 MET HB2 H . . . 1 1 47 47 GLN HB2 H . . . . . . . 7.25 . . . . . A . 71 MET HB2 . . A . 68 GLN HB2 . . . 71 MET QB . . . . . 68 GLN QB . . rr_1k3h 1 1088 4 OR . 1 1 50 50 MET HB2 H . . . 1 1 47 47 GLN HB3 H . . . . . . . 7.25 . . . . . A . 71 MET HB2 . . A . 68 GLN HB3 . . . 71 MET QB . . . . . 68 GLN QB . . rr_1k3h 1 1089 1 . . 1 1 48 48 GLY H H . . . 1 1 47 47 GLN HG2 H . . . . . . . 4.91 . . . . . A . 69 GLY H . . A . 68 GLN HG2 . . . 69 GLY HN . . . . . 68 GLN HG2 . . rr_1k3h 1 1090 1 . . 1 1 47 47 GLN HG2 H . . . 1 1 48 48 GLY HA2 H . . . . . . . 5.50 . . . . . A . 68 GLN HG2 . . A . 69 GLY HA2 . . . 68 GLN HG2 . . . . . 69 GLY HA1 . . rr_1k3h 1 1091 1 . . 1 1 47 47 GLN HG2 H . . . 1 1 48 48 GLY HA3 H . . . . . . . 5.50 . . . . . A . 68 GLN HG2 . . A . 69 GLY HA3 . . . 68 GLN HG2 . . . . . 69 GLY HA2 . . rr_1k3h 1 1092 1 . . 1 1 48 48 GLY H H . . . 1 1 47 47 GLN HG3 H . . . . . . . 4.91 . . . . . A . 69 GLY H . . A . 68 GLN HG3 . . . 69 GLY HN . . . . . 68 GLN HG3 . . rr_1k3h 1 1093 1 . . 1 1 48 48 GLY HA2 H . . . 1 1 47 47 GLN HG3 H . . . . . . . 5.50 . . . . . A . 69 GLY HA2 . . A . 68 GLN HG3 . . . 69 GLY HA1 . . . . . 68 GLN HG3 . . rr_1k3h 1 1094 1 . . 1 1 48 48 GLY HA3 H . . . 1 1 47 47 GLN HG3 H . . . . . . . 5.50 . . . . . A . 69 GLY HA3 . . A . 68 GLN HG3 . . . 69 GLY HA2 . . . . . 68 GLN HG3 . . rr_1k3h 1 1095 1 OR . 1 1 48 48 GLY H H . . . 1 1 47 47 GLN HG3 H . . . . . . . 4.60 . . . . . A . 69 GLY H . . A . 68 GLN HG3 . . . 69 GLY HN . . . . . 68 GLN QG . . rr_1k3h 1 1095 2 OR . 1 1 48 48 GLY H H . . . 1 1 47 47 GLN HG2 H . . . . . . . 4.60 . . . . . A . 69 GLY H . . A . 68 GLN HG2 . . . 69 GLY HN . . . . . 68 GLN QG . . rr_1k3h 1 1096 1 . . 1 1 49 49 GLY H H . . . 1 1 48 48 GLY H H . . . . . . . 4.69 . . . . . A . 70 GLY H . . A . 69 GLY H . . . 70 GLY HN . . . . . 69 GLY HN . . rr_1k3h 1 1097 1 . . 1 1 49 49 GLY H H . . . 1 1 48 48 GLY HA2 H . . . . . . . 3.61 . . . . . A . 70 GLY H . . A . 69 GLY HA2 . . . 70 GLY HN . . . . . 69 GLY HA1 . . rr_1k3h 1 1098 1 . . 1 1 49 49 GLY H H . . . 1 1 48 48 GLY HA3 H . . . . . . . 3.08 . . . . . A . 70 GLY H . . A . 69 GLY HA3 . . . 70 GLY HN . . . . . 69 GLY HA2 . . rr_1k3h 1 1099 1 . . 1 1 50 50 MET H H . . . 1 1 48 48 GLY HA3 H . . . . . . . 4.94 . . . . . A . 71 MET H . . A . 69 GLY HA3 . . . 71 MET HN . . . . . 69 GLY HA2 . . rr_1k3h 1 1100 1 . . 1 1 49 49 GLY H H . . . 1 1 50 50 MET H H . . . . . . . 4.14 . . . . . A . 70 GLY H . . A . 71 MET H . . . 70 GLY HN . . . . . 71 MET HN . . rr_1k3h 1 1101 1 OR . 1 1 50 50 MET HA H . . . 1 1 50 50 MET HG3 H . . . . . . . 3.61 . . . . . A . 71 MET HA . . A . 71 MET HG3 . . . 71 MET HA . . . . . 71 MET QG . . rr_1k3h 1 1101 2 OR . 1 1 50 50 MET HA H . . . 1 1 50 50 MET HG2 H . . . . . . . 3.61 . . . . . A . 71 MET HA . . A . 71 MET HG2 . . . 71 MET HA . . . . . 71 MET QG . . rr_1k3h 1 1102 1 . . 1 1 50 50 MET ME H . . . 1 1 50 50 MET HA H . . . . . . . 6.50 . . . . . A . 71 MET ME . . A . 71 MET HA . . . 71 MET QE . . . . . 71 MET HA . . rr_1k3h 1 1103 1 OR . 1 1 50 50 MET HG2 H . . . 1 1 51 51 PRO HD3 H . . . . . . . 4.75 . . . . . A . 71 MET HG2 . . A . 72 PRO HD3 . . . 71 MET QG . . . . . 72 PRO QD . . rr_1k3h 1 1103 2 OR . 1 1 50 50 MET HG3 H . . . 1 1 51 51 PRO HD3 H . . . . . . . 4.75 . . . . . A . 71 MET HG3 . . A . 72 PRO HD3 . . . 71 MET QG . . . . . 72 PRO QD . . rr_1k3h 1 1103 3 OR . 1 1 51 51 PRO HD2 H . . . 1 1 50 50 MET HG3 H . . . . . . . 4.75 . . . . . A . 72 PRO HD2 . . A . 71 MET HG3 . . . 72 PRO QD . . . . . 71 MET QG . . rr_1k3h 1 1103 4 OR . 1 1 50 50 MET HG2 H . . . 1 1 51 51 PRO HD2 H . . . . . . . 4.75 . . . . . A . 71 MET HG2 . . A . 72 PRO HD2 . . . 71 MET QG . . . . . 72 PRO QD . . rr_1k3h 1 1104 1 OR . 1 1 54 54 ILE MD H . . . 1 1 50 50 MET HG3 H . . . . . . . 7.38 . . . . . A . 75 ILE MD . . A . 71 MET HG3 . . . 75 ILE QD1 . . . . . 71 MET QG . . rr_1k3h 1 1104 2 OR . 1 1 54 54 ILE MD H . . . 1 1 50 50 MET HG2 H . . . . . . . 7.38 . . . . . A . 75 ILE MD . . A . 71 MET HG2 . . . 75 ILE QD1 . . . . . 71 MET QG . . rr_1k3h 1 1105 1 . . 1 1 50 50 MET ME H . . . 1 1 51 51 PRO HD2 H . . . . . . . 6.50 . . . . . A . 71 MET ME . . A . 72 PRO HD2 . . . 71 MET QE . . . . . 72 PRO HD2 . . rr_1k3h 1 1106 1 . . 1 1 50 50 MET ME H . . . 1 1 51 51 PRO HD3 H . . . . . . . 6.50 . . . . . A . 71 MET ME . . A . 72 PRO HD3 . . . 71 MET QE . . . . . 72 PRO HD3 . . rr_1k3h 1 1107 1 . . 1 1 50 50 MET ME H . . . 1 1 54 54 ILE HB H . . . . . . . 6.50 . . . . . A . 71 MET ME . . A . 75 ILE HB . . . 71 MET QE . . . . . 75 ILE HB . . rr_1k3h 1 1108 1 . . 1 1 50 50 MET ME H . . . 1 1 54 54 ILE MD H . . . . . . . 6.50 . . . . . A . 71 MET ME . . A . 75 ILE MD . . . 71 MET QE . . . . . 75 ILE QD1 . . rr_1k3h 1 1109 1 . . 1 1 52 52 GLY H H . . . 1 1 51 51 PRO HB2 H . . . . . . . 3.92 . . . . . A . 73 GLY H . . A . 72 PRO HB2 . . . 73 GLY HN . . . . . 72 PRO HB2 . . rr_1k3h 1 1110 1 . . 1 1 52 52 GLY H H . . . 1 1 51 51 PRO HB3 H . . . . . . . 3.92 . . . . . A . 73 GLY H . . A . 72 PRO HB3 . . . 73 GLY HN . . . . . 72 PRO HB3 . . rr_1k3h 1 1111 1 OR . 1 1 54 54 ILE H H . . . 1 1 51 51 PRO HB3 H . . . . . . . 6.38 . . . . . A . 75 ILE H . . A . 72 PRO HB3 . . . 75 ILE HN . . . . . 72 PRO QB . . rr_1k3h 1 1111 2 OR . 1 1 54 54 ILE H H . . . 1 1 51 51 PRO HB2 H . . . . . . . 6.38 . . . . . A . 75 ILE H . . A . 72 PRO HB2 . . . 75 ILE HN . . . . . 72 PRO QB . . rr_1k3h 1 1112 1 OR . 1 1 51 51 PRO HB3 H . . . 1 1 54 54 ILE HG13 H . . . . . . . 7.25 . . . . . A . 72 PRO HB3 . . A . 75 ILE HG13 . . . 72 PRO QB . . . . . 75 ILE QG1 . . rr_1k3h 1 1112 2 OR . 1 1 51 51 PRO HB2 H . . . 1 1 54 54 ILE HG13 H . . . . . . . 7.25 . . . . . A . 72 PRO HB2 . . A . 75 ILE HG13 . . . 72 PRO QB . . . . . 75 ILE QG1 . . rr_1k3h 1 1112 3 OR . 1 1 54 54 ILE HG12 H . . . 1 1 51 51 PRO HB3 H . . . . . . . 7.25 . . . . . A . 75 ILE HG12 . . A . 72 PRO HB3 . . . 75 ILE QG1 . . . . . 72 PRO QB . . rr_1k3h 1 1112 4 OR . 1 1 51 51 PRO HB2 H . . . 1 1 54 54 ILE HG12 H . . . . . . . 7.25 . . . . . A . 72 PRO HB2 . . A . 75 ILE HG12 . . . 72 PRO QB . . . . . 75 ILE QG1 . . rr_1k3h 1 1113 1 OR . 1 1 54 54 ILE MD H . . . 1 1 51 51 PRO HB3 H . . . . . . . 6.88 . . . . . A . 75 ILE MD . . A . 72 PRO HB3 . . . 75 ILE QD1 . . . . . 72 PRO QB . . rr_1k3h 1 1113 2 OR . 1 1 54 54 ILE MD H . . . 1 1 51 51 PRO HB2 H . . . . . . . 6.88 . . . . . A . 75 ILE MD . . A . 72 PRO HB2 . . . 75 ILE QD1 . . . . . 72 PRO QB . . rr_1k3h 1 1114 1 OR . 1 1 54 54 ILE H H . . . 1 1 51 51 PRO HG2 H . . . . . . . 6.38 . . . . . A . 75 ILE H . . A . 72 PRO HG2 . . . 75 ILE HN . . . . . 72 PRO QG . . rr_1k3h 1 1114 2 OR . 1 1 54 54 ILE H H . . . 1 1 51 51 PRO HG3 H . . . . . . . 6.38 . . . . . A . 75 ILE H . . A . 72 PRO HG3 . . . 75 ILE HN . . . . . 72 PRO QG . . rr_1k3h 1 1115 1 OR . 1 1 51 51 PRO HG2 H . . . 1 1 54 54 ILE HG13 H . . . . . . . 7.25 . . . . . A . 72 PRO HG2 . . A . 75 ILE HG13 . . . 72 PRO QG . . . . . 75 ILE QG1 . . rr_1k3h 1 1115 2 OR . 1 1 51 51 PRO HG3 H . . . 1 1 54 54 ILE HG13 H . . . . . . . 7.25 . . . . . A . 72 PRO HG3 . . A . 75 ILE HG13 . . . 72 PRO QG . . . . . 75 ILE QG1 . . rr_1k3h 1 1115 3 OR . 1 1 54 54 ILE HG12 H . . . 1 1 51 51 PRO HG2 H . . . . . . . 7.25 . . . . . A . 75 ILE HG12 . . A . 72 PRO HG2 . . . 75 ILE QG1 . . . . . 72 PRO QG . . rr_1k3h 1 1115 4 OR . 1 1 54 54 ILE HG12 H . . . 1 1 51 51 PRO HG3 H . . . . . . . 7.25 . . . . . A . 75 ILE HG12 . . A . 72 PRO HG3 . . . 75 ILE QG1 . . . . . 72 PRO QG . . rr_1k3h 1 1116 1 OR . 1 1 54 54 ILE MD H . . . 1 1 51 51 PRO HG2 H . . . . . . . 5.21 . . . . . A . 75 ILE MD . . A . 72 PRO HG2 . . . 75 ILE QD1 . . . . . 72 PRO QG . . rr_1k3h 1 1116 2 OR . 1 1 54 54 ILE MD H . . . 1 1 51 51 PRO HG3 H . . . . . . . 5.21 . . . . . A . 75 ILE MD . . A . 72 PRO HG3 . . . 75 ILE QD1 . . . . . 72 PRO QG . . rr_1k3h 1 1117 1 OR . 1 1 54 54 ILE MD H . . . 1 1 51 51 PRO HD3 H . . . . . . . 5.08 . . . . . A . 75 ILE MD . . A . 72 PRO HD3 . . . 75 ILE QD1 . . . . . 72 PRO QD . . rr_1k3h 1 1117 2 OR . 1 1 54 54 ILE MD H . . . 1 1 51 51 PRO HD2 H . . . . . . . 5.08 . . . . . A . 75 ILE MD . . A . 72 PRO HD2 . . . 75 ILE QD1 . . . . . 72 PRO QD . . rr_1k3h 1 1118 1 . . 1 1 53 53 GLY H H . . . 1 1 52 52 GLY H H . . . . . . . 4.66 . . . . . A . 74 GLY H . . A . 73 GLY H . . . 74 GLY HN . . . . . 73 GLY HN . . rr_1k3h 1 1119 1 . . 1 1 53 53 GLY H H . . . 1 1 52 52 GLY HA2 H . . . . . . . 3.58 . . . . . A . 74 GLY H . . A . 73 GLY HA2 . . . 74 GLY HN . . . . . 73 GLY HA1 . . rr_1k3h 1 1120 1 . . 1 1 53 53 GLY H H . . . 1 1 52 52 GLY HA3 H . . . . . . . 3.58 . . . . . A . 74 GLY H . . A . 73 GLY HA3 . . . 74 GLY HN . . . . . 73 GLY HA2 . . rr_1k3h 1 1121 1 OR . 1 1 54 54 ILE H H . . . 1 1 52 52 GLY HA3 H . . . . . . . 5.82 . . . . . A . 75 ILE H . . A . 73 GLY HA3 . . . 75 ILE HN . . . . . 73 GLY QA . . rr_1k3h 1 1121 2 OR . 1 1 54 54 ILE H H . . . 1 1 52 52 GLY HA2 H . . . . . . . 5.82 . . . . . A . 75 ILE H . . A . 73 GLY HA2 . . . 75 ILE HN . . . . . 73 GLY QA . . rr_1k3h 1 1122 1 . . 1 1 54 54 ILE H H . . . 1 1 53 53 GLY H H . . . . . . . 3.98 . . . . . A . 75 ILE H . . A . 74 GLY H . . . 75 ILE HN . . . . . 74 GLY HN . . rr_1k3h 1 1123 1 . . 1 1 55 55 ALA H H . . . 1 1 53 53 GLY H H . . . . . . . 5.00 . . . . . A . 76 ALA H . . A . 74 GLY H . . . 76 ALA HN . . . . . 74 GLY HN . . rr_1k3h 1 1124 1 . . 1 1 55 55 ALA H H . . . 1 1 53 53 GLY HA2 H . . . . . . . 4.85 . . . . . A . 76 ALA H . . A . 74 GLY HA2 . . . 76 ALA HN . . . . . 74 GLY HA1 . . rr_1k3h 1 1125 1 OR . 1 1 53 53 GLY HA2 H . . . 1 1 56 56 LYS HE3 H . . . . . . . 6.38 . . . . . A . 74 GLY HA2 . . A . 77 LYS HE3 . . . 74 GLY HA1 . . . . . 77 LYS+ QE . . rr_1k3h 1 1125 2 OR . 1 1 53 53 GLY HA2 H . . . 1 1 56 56 LYS HE2 H . . . . . . . 6.38 . . . . . A . 74 GLY HA2 . . A . 77 LYS HE2 . . . 74 GLY HA1 . . . . . 77 LYS+ QE . . rr_1k3h 1 1126 1 OR . 1 1 53 53 GLY HA3 H . . . 1 1 54 54 ILE HG13 H . . . . . . . 6.38 . . . . . A . 74 GLY HA3 . . A . 75 ILE HG13 . . . 74 GLY HA2 . . . . . 75 ILE QG1 . . rr_1k3h 1 1126 2 OR . 1 1 54 54 ILE HG12 H . . . 1 1 53 53 GLY HA3 H . . . . . . . 6.38 . . . . . A . 75 ILE HG12 . . A . 74 GLY HA3 . . . 75 ILE QG1 . . . . . 74 GLY HA2 . . rr_1k3h 1 1127 1 . . 1 1 55 55 ALA H H . . . 1 1 53 53 GLY HA3 H . . . . . . . 5.50 . . . . . A . 76 ALA H . . A . 74 GLY HA3 . . . 76 ALA HN . . . . . 74 GLY HA2 . . rr_1k3h 1 1128 1 OR . 1 1 53 53 GLY HA3 H . . . 1 1 56 56 LYS HE3 H . . . . . . . 6.38 . . . . . A . 74 GLY HA3 . . A . 77 LYS HE3 . . . 74 GLY HA2 . . . . . 77 LYS+ QE . . rr_1k3h 1 1128 2 OR . 1 1 56 56 LYS HE2 H . . . 1 1 53 53 GLY HA3 H . . . . . . . 6.38 . . . . . A . 77 LYS HE2 . . A . 74 GLY HA3 . . . 77 LYS+ QE . . . . . 74 GLY HA2 . . rr_1k3h 1 1129 1 . . 1 1 54 54 ILE H H . . . 1 1 54 54 ILE HB H . . . . . . . 3.33 . . . . . A . 75 ILE H . . A . 75 ILE HB . . . 75 ILE HN . . . . . 75 ILE HB . . rr_1k3h 1 1130 1 . . 1 1 54 54 ILE H H . . . 1 1 54 54 ILE HG12 H . . . . . . . 4.23 . . . . . A . 75 ILE H . . A . 75 ILE HG12 . . . 75 ILE HN . . . . . 75 ILE HG12 . . rr_1k3h 1 1131 1 . . 1 1 54 54 ILE H H . . . 1 1 54 54 ILE HG13 H . . . . . . . 4.23 . . . . . A . 75 ILE H . . A . 75 ILE HG13 . . . 75 ILE HN . . . . . 75 ILE HG13 . . rr_1k3h 1 1132 1 OR . 1 1 54 54 ILE H H . . . 1 1 54 54 ILE HG13 H . . . . . . . 3.77 . . . . . A . 75 ILE H . . A . 75 ILE HG13 . . . 75 ILE HN . . . . . 75 ILE QG1 . . rr_1k3h 1 1132 2 OR . 1 1 54 54 ILE H H . . . 1 1 54 54 ILE HG12 H . . . . . . . 3.77 . . . . . A . 75 ILE H . . A . 75 ILE HG12 . . . 75 ILE HN . . . . . 75 ILE QG1 . . rr_1k3h 1 1133 1 . . 1 1 54 54 ILE H H . . . 1 1 54 54 ILE MD H . . . . . . . 5.78 . . . . . A . 75 ILE H . . A . 75 ILE MD . . . 75 ILE HN . . . . . 75 ILE QD1 . . rr_1k3h 1 1134 1 . . 1 1 54 54 ILE H H . . . 1 1 55 55 ALA H H . . . . . . . 3.48 . . . . . A . 75 ILE H . . A . 76 ALA H . . . 75 ILE HN . . . . . 76 ALA HN . . rr_1k3h 1 1135 1 . . 1 1 54 54 ILE HG12 H . . . 1 1 54 54 ILE HA H . . . . . . . 3.98 . . . . . A . 75 ILE HG12 . . A . 75 ILE HA . . . 75 ILE HG12 . . . . . 75 ILE HA . . rr_1k3h 1 1136 1 . . 1 1 54 54 ILE HA H . . . 1 1 54 54 ILE HG13 H . . . . . . . 3.98 . . . . . A . 75 ILE HA . . A . 75 ILE HG13 . . . 75 ILE HA . . . . . 75 ILE HG13 . . rr_1k3h 1 1137 1 OR . 1 1 54 54 ILE HA H . . . 1 1 54 54 ILE HG13 H . . . . . . . 3.54 . . . . . A . 75 ILE HA . . A . 75 ILE HG13 . . . 75 ILE HA . . . . . 75 ILE QG1 . . rr_1k3h 1 1137 2 OR . 1 1 54 54 ILE HG12 H . . . 1 1 54 54 ILE HA H . . . . . . . 3.54 . . . . . A . 75 ILE HG12 . . A . 75 ILE HA . . . 75 ILE QG1 . . . . . 75 ILE HA . . rr_1k3h 1 1138 1 . . 1 1 54 54 ILE HB H . . . 1 1 55 55 ALA H H . . . . . . . 3.92 . . . . . A . 75 ILE HB . . A . 76 ALA H . . . 75 ILE HB . . . . . 76 ALA HN . . rr_1k3h 1 1139 1 . . 1 1 54 54 ILE MG H . . . 1 1 55 55 ALA H H . . . . . . . 5.44 . . . . . A . 75 ILE MG . . A . 76 ALA H . . . 75 ILE QG2 . . . . . 76 ALA HN . . rr_1k3h 1 1140 1 . . 1 1 54 54 ILE MG H . . . 1 1 55 55 ALA HA H . . . . . . . 6.12 . . . . . A . 75 ILE MG . . A . 76 ALA HA . . . 75 ILE QG2 . . . . . 76 ALA HA . . rr_1k3h 1 1141 1 OR . 1 1 55 55 ALA H H . . . 1 1 54 54 ILE HG13 H . . . . . . . 6.19 . . . . . A . 76 ALA H . . A . 75 ILE HG13 . . . 76 ALA HN . . . . . 75 ILE QG1 . . rr_1k3h 1 1141 2 OR . 1 1 55 55 ALA H H . . . 1 1 54 54 ILE HG12 H . . . . . . . 6.19 . . . . . A . 76 ALA H . . A . 75 ILE HG12 . . . 76 ALA HN . . . . . 75 ILE QG1 . . rr_1k3h 1 1142 1 . . 1 1 55 55 ALA H H . . . 1 1 56 56 LYS H H . . . . . . . 4.88 . . . . . A . 76 ALA H . . A . 77 LYS H . . . 76 ALA HN . . . . . 77 LYS+ HN . . rr_1k3h 1 1143 1 . . 1 1 55 55 ALA H H . . . 1 1 56 56 LYS HA H . . . . . . . 5.50 . . . . . A . 76 ALA H . . A . 77 LYS HA . . . 76 ALA HN . . . . . 77 LYS+ HA . . rr_1k3h 1 1144 1 OR . 1 1 55 55 ALA H H . . . 1 1 56 56 LYS HG2 H . . . . . . . 6.38 . . . . . A . 76 ALA H . . A . 77 LYS HG2 . . . 76 ALA HN . . . . . 77 LYS+ QG . . rr_1k3h 1 1144 2 OR . 1 1 55 55 ALA H H . . . 1 1 56 56 LYS HG3 H . . . . . . . 6.38 . . . . . A . 76 ALA H . . A . 77 LYS HG3 . . . 76 ALA HN . . . . . 77 LYS+ QG . . rr_1k3h 1 1145 1 . . 1 1 55 55 ALA HA H . . . 1 1 56 56 LYS H H . . . . . . . 2.96 . . . . . A . 76 ALA HA . . A . 77 LYS H . . . 76 ALA HA . . . . . 77 LYS+ HN . . rr_1k3h 1 1146 1 . . 1 1 55 55 ALA MB H . . . 1 1 56 56 LYS H H . . . . . . . 4.05 . . . . . A . 76 ALA MB . . A . 77 LYS H . . . 76 ALA QB . . . . . 77 LYS+ HN . . rr_1k3h 1 1147 1 . . 1 1 55 55 ALA MB H . . . 1 1 56 56 LYS HA H . . . . . . . 6.12 . . . . . A . 76 ALA MB . . A . 77 LYS HA . . . 76 ALA QB . . . . . 77 LYS+ HA . . rr_1k3h 1 1148 1 . . 1 1 59 59 GLU H H . . . 1 1 55 55 ALA MB H . . . . . . . 6.53 . . . . . A . 80 GLU H . . A . 76 ALA MB . . . 80 GLU- HN . . . . . 76 ALA QB . . rr_1k3h 1 1149 1 . . 1 1 59 59 GLU HB2 H . . . 1 1 55 55 ALA MB H . . . . . . . 6.53 . . . . . A . 80 GLU HB2 . . A . 76 ALA MB . . . 80 GLU- HB2 . . . . . 76 ALA QB . . rr_1k3h 1 1150 1 . . 1 1 59 59 GLU HB3 H . . . 1 1 55 55 ALA MB H . . . . . . . 4.85 . . . . . A . 80 GLU HB3 . . A . 76 ALA MB . . . 80 GLU- HB3 . . . . . 76 ALA QB . . rr_1k3h 1 1151 1 OR . 1 1 55 55 ALA MB H . . . 1 1 59 59 GLU HG2 H . . . . . . . 5.33 . . . . . A . 76 ALA MB . . A . 80 GLU HG2 . . . 76 ALA QB . . . . . 80 GLU- QG . . rr_1k3h 1 1151 2 OR . 1 1 59 59 GLU HG3 H . . . 1 1 55 55 ALA MB H . . . . . . . 5.33 . . . . . A . 80 GLU HG3 . . A . 76 ALA MB . . . 80 GLU- QG . . . . . 76 ALA QB . . rr_1k3h 1 1152 1 . . 1 1 55 55 ALA MB H . . . 1 1 60 60 ALA H H . . . . . . . 5.26 . . . . . A . 76 ALA MB . . A . 81 ALA H . . . 76 ALA QB . . . . . 81 ALA HN . . rr_1k3h 1 1153 1 . . 1 1 55 55 ALA MB H . . . 1 1 60 60 ALA HA H . . . . . . . 4.17 . . . . . A . 76 ALA MB . . A . 81 ALA HA . . . 76 ALA QB . . . . . 81 ALA HA . . rr_1k3h 1 1154 1 . . 1 1 55 55 ALA MB H . . . 1 1 60 60 ALA MB H . . . . . . . 6.01 . . . . . A . 76 ALA MB . . A . 81 ALA MB . . . 76 ALA QB . . . . . 81 ALA QB . . rr_1k3h 1 1155 1 . . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HG2 H . . . . . . . 5.50 . . . . . A . 77 LYS H . . A . 77 LYS HG2 . . . 77 LYS+ HN . . . . . 77 LYS+ HG2 . . rr_1k3h 1 1156 1 . . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HG3 H . . . . . . . 5.50 . . . . . A . 77 LYS H . . A . 77 LYS HG3 . . . 77 LYS+ HN . . . . . 77 LYS+ HG3 . . rr_1k3h 1 1157 1 OR . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HG2 H . . . . . . . 5.22 . . . . . A . 77 LYS H . . A . 77 LYS HG2 . . . 77 LYS+ HN . . . . . 77 LYS+ QG . . rr_1k3h 1 1157 2 OR . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HG3 H . . . . . . . 5.22 . . . . . A . 77 LYS H . . A . 77 LYS HG3 . . . 77 LYS+ HN . . . . . 77 LYS+ QG . . rr_1k3h 1 1158 1 OR . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HD3 H . . . . . . . 6.38 . . . . . A . 77 LYS H . . A . 77 LYS HD3 . . . 77 LYS+ HN . . . . . 77 LYS+ QD . . rr_1k3h 1 1158 2 OR . 1 1 56 56 LYS H H . . . 1 1 56 56 LYS HD2 H . . . . . . . 6.38 . . . . . A . 77 LYS H . . A . 77 LYS HD2 . . . 77 LYS+ HN . . . . . 77 LYS+ QD . . rr_1k3h 1 1159 1 . . 1 1 57 57 GLY H H . . . 1 1 56 56 LYS H H . . . . . . . 5.50 . . . . . A . 78 GLY H . . A . 77 LYS H . . . 78 GLY HN . . . . . 77 LYS+ HN . . rr_1k3h 1 1160 1 . . 1 1 59 59 GLU HB2 H . . . 1 1 56 56 LYS H H . . . . . . . 5.50 . . . . . A . 80 GLU HB2 . . A . 77 LYS H . . . 80 GLU- HB2 . . . . . 77 LYS+ HN . . rr_1k3h 1 1161 1 . . 1 1 59 59 GLU HB3 H . . . 1 1 56 56 LYS H H . . . . . . . 4.32 . . . . . A . 80 GLU HB3 . . A . 77 LYS H . . . 80 GLU- HB3 . . . . . 77 LYS+ HN . . rr_1k3h 1 1162 1 OR . 1 1 56 56 LYS H H . . . 1 1 59 59 GLU HG2 H . . . . . . . 6.38 . . . . . A . 77 LYS H . . A . 80 GLU HG2 . . . 77 LYS+ HN . . . . . 80 GLU- QG . . rr_1k3h 1 1162 2 OR . 1 1 59 59 GLU HG3 H . . . 1 1 56 56 LYS H H . . . . . . . 6.38 . . . . . A . 80 GLU HG3 . . A . 77 LYS H . . . 80 GLU- QG . . . . . 77 LYS+ HN . . rr_1k3h 1 1163 1 . . 1 1 60 60 ALA H H . . . 1 1 56 56 LYS H H . . . . . . . 4.54 . . . . . A . 81 ALA H . . A . 77 LYS H . . . 81 ALA HN . . . . . 77 LYS+ HN . . rr_1k3h 1 1164 1 . . 1 1 60 60 ALA MB H . . . 1 1 56 56 LYS H H . . . . . . . 5.38 . . . . . A . 81 ALA MB . . A . 77 LYS H . . . 81 ALA QB . . . . . 77 LYS+ HN . . rr_1k3h 1 1165 1 . . 1 1 56 56 LYS HA H . . . 1 1 56 56 LYS HD2 H . . . . . . . 5.50 . . . . . A . 77 LYS HA . . A . 77 LYS HD2 . . . 77 LYS+ HA . . . . . 77 LYS+ HD2 . . rr_1k3h 1 1166 1 . . 1 1 56 56 LYS HA H . . . 1 1 56 56 LYS HD3 H . . . . . . . 5.50 . . . . . A . 77 LYS HA . . A . 77 LYS HD3 . . . 77 LYS+ HA . . . . . 77 LYS+ HD3 . . rr_1k3h 1 1167 1 OR . 1 1 56 56 LYS HA H . . . 1 1 56 56 LYS HE3 H . . . . . . . 6.38 . . . . . A . 77 LYS HA . . A . 77 LYS HE3 . . . 77 LYS+ HA . . . . . 77 LYS+ QE . . rr_1k3h 1 1167 2 OR . 1 1 56 56 LYS HA H . . . 1 1 56 56 LYS HE2 H . . . . . . . 6.38 . . . . . A . 77 LYS HA . . A . 77 LYS HE2 . . . 77 LYS+ HA . . . . . 77 LYS+ QE . . rr_1k3h 1 1168 1 . . 1 1 56 56 LYS HA H . . . 1 1 57 57 GLY H H . . . . . . . 3.27 . . . . . A . 77 LYS HA . . A . 78 GLY H . . . 77 LYS+ HA . . . . . 78 GLY HN . . rr_1k3h 1 1169 1 . . 1 1 56 56 LYS HA H . . . 1 1 57 57 GLY HA2 H . . . . . . . 5.50 . . . . . A . 77 LYS HA . . A . 78 GLY HA2 . . . 77 LYS+ HA . . . . . 78 GLY HA1 . . rr_1k3h 1 1170 1 . . 1 1 56 56 LYS HA H . . . 1 1 57 57 GLY HA3 H . . . . . . . 5.50 . . . . . A . 77 LYS HA . . A . 78 GLY HA3 . . . 77 LYS+ HA . . . . . 78 GLY HA2 . . rr_1k3h 1 1171 1 . . 1 1 60 60 ALA H H . . . 1 1 56 56 LYS HA H . . . . . . . 5.07 . . . . . A . 81 ALA H . . A . 77 LYS HA . . . 81 ALA HN . . . . . 77 LYS+ HA . . rr_1k3h 1 1172 1 . . 1 1 60 60 ALA MB H . . . 1 1 56 56 LYS HA H . . . . . . . 3.99 . . . . . A . 81 ALA MB . . A . 77 LYS HA . . . 81 ALA QB . . . . . 77 LYS+ HA . . rr_1k3h 1 1173 1 . . 1 1 56 56 LYS HE2 H . . . 1 1 56 56 LYS HB2 H . . . . . . . 7.25 . . . . . A . 77 LYS HE2 . . A . 77 LYS HB2 . . . 77 LYS+ HE2 . . . . . 77 LYS+ HB2 . . rr_1k3h 1 1174 1 . . 1 1 56 56 LYS HB2 H . . . 1 1 56 56 LYS HE3 H . . . . . . . 7.25 . . . . . A . 77 LYS HB2 . . A . 77 LYS HE3 . . . 77 LYS+ HB2 . . . . . 77 LYS+ HE3 . . rr_1k3h 1 1175 1 . . 1 1 57 57 GLY H H . . . 1 1 56 56 LYS HB2 H . . . . . . . 4.04 . . . . . A . 78 GLY H . . A . 77 LYS HB2 . . . 78 GLY HN . . . . . 77 LYS+ HB2 . . rr_1k3h 1 1176 1 . . 1 1 57 57 GLY HA2 H . . . 1 1 56 56 LYS HB2 H . . . . . . . 7.25 . . . . . A . 78 GLY HA2 . . A . 77 LYS HB2 . . . 78 GLY HA1 . . . . . 77 LYS+ HB2 . . rr_1k3h 1 1177 1 . . 1 1 56 56 LYS HB2 H . . . 1 1 57 57 GLY HA3 H . . . . . . . 7.25 . . . . . A . 77 LYS HB2 . . A . 78 GLY HA3 . . . 77 LYS+ HB2 . . . . . 78 GLY HA2 . . rr_1k3h 1 1178 1 . . 1 1 56 56 LYS HE2 H . . . 1 1 56 56 LYS HB3 H . . . . . . . 7.25 . . . . . A . 77 LYS HE2 . . A . 77 LYS HB3 . . . 77 LYS+ HE2 . . . . . 77 LYS+ HB3 . . rr_1k3h 1 1179 1 . . 1 1 56 56 LYS HB3 H . . . 1 1 56 56 LYS HE3 H . . . . . . . 7.25 . . . . . A . 77 LYS HB3 . . A . 77 LYS HE3 . . . 77 LYS+ HB3 . . . . . 77 LYS+ HE3 . . rr_1k3h 1 1180 1 . . 1 1 57 57 GLY H H . . . 1 1 56 56 LYS HB3 H . . . . . . . 4.04 . . . . . A . 78 GLY H . . A . 77 LYS HB3 . . . 78 GLY HN . . . . . 77 LYS+ HB3 . . rr_1k3h 1 1181 1 . . 1 1 57 57 GLY HA2 H . . . 1 1 56 56 LYS HB3 H . . . . . . . 7.25 . . . . . A . 78 GLY HA2 . . A . 77 LYS HB3 . . . 78 GLY HA1 . . . . . 77 LYS+ HB3 . . rr_1k3h 1 1182 1 . . 1 1 56 56 LYS HB3 H . . . 1 1 57 57 GLY HA3 H . . . . . . . 7.25 . . . . . A . 77 LYS HB3 . . A . 78 GLY HA3 . . . 77 LYS+ HB3 . . . . . 78 GLY HA2 . . rr_1k3h 1 1183 1 OR . 1 1 56 56 LYS HB3 H . . . 1 1 56 56 LYS HE3 H . . . . . . . 6.32 . . . . . A . 77 LYS HB3 . . A . 77 LYS HE3 . . . 77 LYS+ QB . . . . . 77 LYS+ QE . . rr_1k3h 1 1183 2 OR . 1 1 56 56 LYS HB2 H . . . 1 1 56 56 LYS HE3 H . . . . . . . 6.32 . . . . . A . 77 LYS HB2 . . A . 77 LYS HE3 . . . 77 LYS+ QB . . . . . 77 LYS+ QE . . rr_1k3h 1 1183 3 OR . 1 1 56 56 LYS HE2 H . . . 1 1 56 56 LYS HB3 H . . . . . . . 6.32 . . . . . A . 77 LYS HE2 . . A . 77 LYS HB3 . . . 77 LYS+ QE . . . . . 77 LYS+ QB . . rr_1k3h 1 1183 4 OR . 1 1 56 56 LYS HE2 H . . . 1 1 56 56 LYS HB2 H . . . . . . . 6.32 . . . . . A . 77 LYS HE2 . . A . 77 LYS HB2 . . . 77 LYS+ QE . . . . . 77 LYS+ QB . . rr_1k3h 1 1184 1 OR . 1 1 57 57 GLY H H . . . 1 1 56 56 LYS HB3 H . . . . . . . 3.69 . . . . . A . 78 GLY H . . A . 77 LYS HB3 . . . 78 GLY HN . . . . . 77 LYS+ QB . . rr_1k3h 1 1184 2 OR . 1 1 57 57 GLY H H . . . 1 1 56 56 LYS HB2 H . . . . . . . 3.69 . . . . . A . 78 GLY H . . A . 77 LYS HB2 . . . 78 GLY HN . . . . . 77 LYS+ QB . . rr_1k3h 1 1185 1 OR . 1 1 56 56 LYS HB3 H . . . 1 1 57 57 GLY HA3 H . . . . . . . 6.32 . . . . . A . 77 LYS HB3 . . A . 78 GLY HA3 . . . 77 LYS+ QB . . . . . 78 GLY QA . . rr_1k3h 1 1185 2 OR . 1 1 56 56 LYS HB2 H . . . 1 1 57 57 GLY HA3 H . . . . . . . 6.32 . . . . . A . 77 LYS HB2 . . A . 78 GLY HA3 . . . 77 LYS+ QB . . . . . 78 GLY QA . . rr_1k3h 1 1185 3 OR . 1 1 57 57 GLY HA2 H . . . 1 1 56 56 LYS HB3 H . . . . . . . 6.32 . . . . . A . 78 GLY HA2 . . A . 77 LYS HB3 . . . 78 GLY QA . . . . . 77 LYS+ QB . . rr_1k3h 1 1185 4 OR . 1 1 57 57 GLY HA2 H . . . 1 1 56 56 LYS HB2 H . . . . . . . 6.32 . . . . . A . 78 GLY HA2 . . A . 77 LYS HB2 . . . 78 GLY QA . . . . . 77 LYS+ QB . . rr_1k3h 1 1186 1 . . 1 1 57 57 GLY H H . . . 1 1 56 56 LYS HG2 H . . . . . . . 5.50 . . . . . A . 78 GLY H . . A . 77 LYS HG2 . . . 78 GLY HN . . . . . 77 LYS+ HG2 . . rr_1k3h 1 1187 1 . . 1 1 57 57 GLY H H . . . 1 1 56 56 LYS HG3 H . . . . . . . 5.50 . . . . . A . 78 GLY H . . A . 77 LYS HG3 . . . 78 GLY HN . . . . . 77 LYS+ HG3 . . rr_1k3h 1 1188 1 OR . 1 1 57 57 GLY H H . . . 1 1 56 56 LYS HD3 H . . . . . . . 6.38 . . . . . A . 78 GLY H . . A . 77 LYS HD3 . . . 78 GLY HN . . . . . 77 LYS+ QD . . rr_1k3h 1 1188 2 OR . 1 1 57 57 GLY H H . . . 1 1 56 56 LYS HD2 H . . . . . . . 6.38 . . . . . A . 78 GLY H . . A . 77 LYS HD2 . . . 78 GLY HN . . . . . 77 LYS+ QD . . rr_1k3h 1 1189 1 . . 1 1 60 60 ALA H H . . . 1 1 57 57 GLY H H . . . . . . . 5.50 . . . . . A . 81 ALA H . . A . 78 GLY H . . . 81 ALA HN . . . . . 78 GLY HN . . rr_1k3h 1 1190 1 . . 1 1 60 60 ALA MB H . . . 1 1 57 57 GLY H H . . . . . . . 5.19 . . . . . A . 81 ALA MB . . A . 78 GLY H . . . 81 ALA QB . . . . . 78 GLY HN . . rr_1k3h 1 1191 1 . . 1 1 59 59 GLU H H . . . 1 1 57 57 GLY HA2 H . . . . . . . 5.50 . . . . . A . 80 GLU H . . A . 78 GLY HA2 . . . 80 GLU- HN . . . . . 78 GLY HA1 . . rr_1k3h 1 1192 1 . . 1 1 60 60 ALA H H . . . 1 1 57 57 GLY HA2 H . . . . . . . 5.50 . . . . . A . 81 ALA H . . A . 78 GLY HA2 . . . 81 ALA HN . . . . . 78 GLY HA1 . . rr_1k3h 1 1193 1 . . 1 1 59 59 GLU H H . . . 1 1 57 57 GLY HA3 H . . . . . . . 5.50 . . . . . A . 80 GLU H . . A . 78 GLY HA3 . . . 80 GLU- HN . . . . . 78 GLY HA2 . . rr_1k3h 1 1194 1 . . 1 1 60 60 ALA H H . . . 1 1 57 57 GLY HA3 H . . . . . . . 5.50 . . . . . A . 81 ALA H . . A . 78 GLY HA3 . . . 81 ALA HN . . . . . 78 GLY HA2 . . rr_1k3h 1 1195 1 . . 1 1 59 59 GLU H H . . . 1 1 58 58 ALA H H . . . . . . . 4.17 . . . . . A . 80 GLU H . . A . 79 ALA H . . . 80 GLU- HN . . . . . 79 ALA HN . . rr_1k3h 1 1196 1 . . 1 1 60 60 ALA H H . . . 1 1 58 58 ALA H H . . . . . . . 5.50 . . . . . A . 81 ALA H . . A . 79 ALA H . . . 81 ALA HN . . . . . 79 ALA HN . . rr_1k3h 1 1197 1 . . 1 1 61 61 GLU H H . . . 1 1 58 58 ALA H H . . . . . . . 5.50 . . . . . A . 82 GLU H . . A . 79 ALA H . . . 82 GLU- HN . . . . . 79 ALA HN . . rr_1k3h 1 1198 1 . . 1 1 60 60 ALA H H . . . 1 1 58 58 ALA HA H . . . . . . . 5.50 . . . . . A . 81 ALA H . . A . 79 ALA HA . . . 81 ALA HN . . . . . 79 ALA HA . . rr_1k3h 1 1199 1 . . 1 1 61 61 GLU H H . . . 1 1 58 58 ALA HA H . . . . . . . 4.11 . . . . . A . 82 GLU H . . A . 79 ALA HA . . . 82 GLU- HN . . . . . 79 ALA HA . . rr_1k3h 1 1200 1 . . 1 1 61 61 GLU HB2 H . . . 1 1 58 58 ALA HA H . . . . . . . 3.52 . . . . . A . 82 GLU HB2 . . A . 79 ALA HA . . . 82 GLU- HB2 . . . . . 79 ALA HA . . rr_1k3h 1 1201 1 . . 1 1 61 61 GLU HB3 H . . . 1 1 58 58 ALA HA H . . . . . . . 3.73 . . . . . A . 82 GLU HB3 . . A . 79 ALA HA . . . 82 GLU- HB3 . . . . . 79 ALA HA . . rr_1k3h 1 1202 1 . . 1 1 61 61 GLU HG2 H . . . 1 1 58 58 ALA HA H . . . . . . . 5.50 . . . . . A . 82 GLU HG2 . . A . 79 ALA HA . . . 82 GLU- HG2 . . . . . 79 ALA HA . . rr_1k3h 1 1203 1 . . 1 1 61 61 GLU HG3 H . . . 1 1 58 58 ALA HA H . . . . . . . 5.34 . . . . . A . 82 GLU HG3 . . A . 79 ALA HA . . . 82 GLU- HG3 . . . . . 79 ALA HA . . rr_1k3h 1 1204 1 . . 1 1 58 58 ALA MB H . . . 1 1 59 59 GLU H H . . . . . . . 4.42 . . . . . A . 79 ALA MB . . A . 80 GLU H . . . 79 ALA QB . . . . . 80 GLU- HN . . rr_1k3h 1 1205 1 . . 1 1 58 58 ALA MB H . . . 1 1 59 59 GLU HB2 H . . . . . . . 6.00 . . . . . A . 79 ALA MB . . A . 80 GLU HB2 . . . 79 ALA QB . . . . . 80 GLU- HB2 . . rr_1k3h 1 1206 1 . . 1 1 58 58 ALA MB H . . . 1 1 60 60 ALA H H . . . . . . . 6.53 . . . . . A . 79 ALA MB . . A . 81 ALA H . . . 79 ALA QB . . . . . 81 ALA HN . . rr_1k3h 1 1207 1 . . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HB2 H . . . . . . . 3.83 . . . . . A . 80 GLU H . . A . 80 GLU HB2 . . . 80 GLU- HN . . . . . 80 GLU- HB2 . . rr_1k3h 1 1208 1 . . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HB3 H . . . . . . . 3.45 . . . . . A . 80 GLU H . . A . 80 GLU HB3 . . . 80 GLU- HN . . . . . 80 GLU- HB3 . . rr_1k3h 1 1209 1 . . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HG2 H . . . . . . . 5.50 . . . . . A . 80 GLU H . . A . 80 GLU HG2 . . . 80 GLU- HN . . . . . 80 GLU- HG2 . . rr_1k3h 1 1210 1 . . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HG3 H . . . . . . . 5.50 . . . . . A . 80 GLU H . . A . 80 GLU HG3 . . . 80 GLU- HN . . . . . 80 GLU- HG3 . . rr_1k3h 1 1211 1 OR . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HG2 H . . . . . . . 4.87 . . . . . A . 80 GLU H . . A . 80 GLU HG2 . . . 80 GLU- HN . . . . . 80 GLU- QG . . rr_1k3h 1 1211 2 OR . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HG3 H . . . . . . . 4.87 . . . . . A . 80 GLU H . . A . 80 GLU HG3 . . . 80 GLU- HN . . . . . 80 GLU- QG . . rr_1k3h 1 1212 1 . . 1 1 59 59 GLU H H . . . 1 1 60 60 ALA H H . . . . . . . 3.42 . . . . . A . 80 GLU H . . A . 81 ALA H . . . 80 GLU- HN . . . . . 81 ALA HN . . rr_1k3h 1 1213 1 . . 1 1 59 59 GLU H H . . . 1 1 60 60 ALA MB H . . . . . . . 6.03 . . . . . A . 80 GLU H . . A . 81 ALA MB . . . 80 GLU- HN . . . . . 81 ALA QB . . rr_1k3h 1 1214 1 . . 1 1 59 59 GLU H H . . . 1 1 61 61 GLU H H . . . . . . . 5.50 . . . . . A . 80 GLU H . . A . 82 GLU H . . . 80 GLU- HN . . . . . 82 GLU- HN . . rr_1k3h 1 1215 1 . . 1 1 59 59 GLU HA H . . . 1 1 59 59 GLU HG2 H . . . . . . . 4.17 . . . . . A . 80 GLU HA . . A . 80 GLU HG2 . . . 80 GLU- HA . . . . . 80 GLU- HG2 . . rr_1k3h 1 1216 1 . . 1 1 59 59 GLU HA H . . . 1 1 59 59 GLU HG3 H . . . . . . . 4.17 . . . . . A . 80 GLU HA . . A . 80 GLU HG3 . . . 80 GLU- HA . . . . . 80 GLU- HG3 . . rr_1k3h 1 1217 1 OR . 1 1 59 59 GLU HA H . . . 1 1 59 59 GLU HG2 H . . . . . . . 3.98 . . . . . A . 80 GLU HA . . A . 80 GLU HG2 . . . 80 GLU- HA . . . . . 80 GLU- QG . . rr_1k3h 1 1217 2 OR . 1 1 59 59 GLU HA H . . . 1 1 59 59 GLU HG3 H . . . . . . . 3.98 . . . . . A . 80 GLU HA . . A . 80 GLU HG3 . . . 80 GLU- HA . . . . . 80 GLU- QG . . rr_1k3h 1 1218 1 . . 1 1 59 59 GLU HA H . . . 1 1 61 61 GLU H H . . . . . . . 5.50 . . . . . A . 80 GLU HA . . A . 82 GLU H . . . 80 GLU- HA . . . . . 82 GLU- HN . . rr_1k3h 1 1219 1 . . 1 1 59 59 GLU HA H . . . 1 1 62 62 ALA H H . . . . . . . 4.79 . . . . . A . 80 GLU HA . . A . 83 ALA H . . . 80 GLU- HA . . . . . 83 ALA HN . . rr_1k3h 1 1220 1 . . 1 1 59 59 GLU HA H . . . 1 1 62 62 ALA MB H . . . . . . . 4.64 . . . . . A . 80 GLU HA . . A . 83 ALA MB . . . 80 GLU- HA . . . . . 83 ALA QB . . rr_1k3h 1 1221 1 . . 1 1 59 59 GLU HA H . . . 1 1 63 63 VAL H H . . . . . . . 5.34 . . . . . A . 80 GLU HA . . A . 84 VAL H . . . 80 GLU- HA . . . . . 84 VAL HN . . rr_1k3h 1 1222 1 OR . 1 1 59 59 GLU HB2 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 2.74 . . . . . A . 80 GLU HB2 . . A . 80 GLU HG2 . . . 80 GLU- HB2 . . . . . 80 GLU- QG . . rr_1k3h 1 1222 2 OR . 1 1 59 59 GLU HB2 H . . . 1 1 59 59 GLU HG3 H . . . . . . . 2.74 . . . . . A . 80 GLU HB2 . . A . 80 GLU HG3 . . . 80 GLU- HB2 . . . . . 80 GLU- QG . . rr_1k3h 1 1223 1 . . 1 1 59 59 GLU HB2 H . . . 1 1 60 60 ALA H H . . . . . . . 4.76 . . . . . A . 80 GLU HB2 . . A . 81 ALA H . . . 80 GLU- HB2 . . . . . 81 ALA HN . . rr_1k3h 1 1224 1 OR . 1 1 59 59 GLU HB3 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 2.74 . . . . . A . 80 GLU HB3 . . A . 80 GLU HG2 . . . 80 GLU- HB3 . . . . . 80 GLU- QG . . rr_1k3h 1 1224 2 OR . 1 1 59 59 GLU HB3 H . . . 1 1 59 59 GLU HG3 H . . . . . . . 2.74 . . . . . A . 80 GLU HB3 . . A . 80 GLU HG3 . . . 80 GLU- HB3 . . . . . 80 GLU- QG . . rr_1k3h 1 1225 1 . . 1 1 59 59 GLU HB3 H . . . 1 1 60 60 ALA H H . . . . . . . 3.76 . . . . . A . 80 GLU HB3 . . A . 81 ALA H . . . 80 GLU- HB3 . . . . . 81 ALA HN . . rr_1k3h 1 1226 1 . . 1 1 59 59 GLU HB3 H . . . 1 1 60 60 ALA HA H . . . . . . . 5.50 . . . . . A . 80 GLU HB3 . . A . 81 ALA HA . . . 80 GLU- HB3 . . . . . 81 ALA HA . . rr_1k3h 1 1227 1 . . 1 1 60 60 ALA H H . . . 1 1 59 59 GLU HG2 H . . . . . . . 5.50 . . . . . A . 81 ALA H . . A . 80 GLU HG2 . . . 81 ALA HN . . . . . 80 GLU- HG2 . . rr_1k3h 1 1228 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 5.69 . . . . . A . 84 VAL MG2 . . A . 80 GLU HG2 . . . 84 VAL QG2 . . . . . 80 GLU- HG2 . . rr_1k3h 1 1229 1 . . 1 1 59 59 GLU HG3 H . . . 1 1 60 60 ALA H H . . . . . . . 5.50 . . . . . A . 80 GLU HG3 . . A . 81 ALA H . . . 80 GLU- HG3 . . . . . 81 ALA HN . . rr_1k3h 1 1230 1 . . 1 1 59 59 GLU HG3 H . . . 1 1 63 63 VAL MG2 H . . . . . . . 5.69 . . . . . A . 80 GLU HG3 . . A . 84 VAL MG2 . . . 80 GLU- HG3 . . . . . 84 VAL QG2 . . rr_1k3h 1 1231 1 OR . 1 1 60 60 ALA H H . . . 1 1 59 59 GLU HG2 H . . . . . . . 5.11 . . . . . A . 81 ALA H . . A . 80 GLU HG2 . . . 81 ALA HN . . . . . 80 GLU- QG . . rr_1k3h 1 1231 2 OR . 1 1 59 59 GLU HG3 H . . . 1 1 60 60 ALA H H . . . . . . . 5.11 . . . . . A . 80 GLU HG3 . . A . 81 ALA H . . . 80 GLU- QG . . . . . 81 ALA HN . . rr_1k3h 1 1232 1 OR . 1 1 63 63 VAL MG2 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 5.51 . . . . . A . 84 VAL MG2 . . A . 80 GLU HG2 . . . 84 VAL QG2 . . . . . 80 GLU- QG . . rr_1k3h 1 1232 2 OR . 1 1 59 59 GLU HG3 H . . . 1 1 63 63 VAL MG2 H . . . . . . . 5.51 . . . . . A . 80 GLU HG3 . . A . 84 VAL MG2 . . . 80 GLU- QG . . . . . 84 VAL QG2 . . rr_1k3h 1 1233 1 . . 1 1 60 60 ALA H H . . . 1 1 61 61 GLU H H . . . . . . . 3.55 . . . . . A . 81 ALA H . . A . 82 GLU H . . . 81 ALA HN . . . . . 82 GLU- HN . . rr_1k3h 1 1234 1 . . 1 1 62 62 ALA H H . . . 1 1 60 60 ALA H H . . . . . . . 5.50 . . . . . A . 83 ALA H . . A . 81 ALA H . . . 83 ALA HN . . . . . 81 ALA HN . . rr_1k3h 1 1235 1 . . 1 1 63 63 VAL H H . . . 1 1 60 60 ALA HA H . . . . . . . 4.72 . . . . . A . 84 VAL H . . A . 81 ALA HA . . . 84 VAL HN . . . . . 81 ALA HA . . rr_1k3h 1 1236 1 . . 1 1 63 63 VAL HB H . . . 1 1 60 60 ALA HA H . . . . . . . 3.83 . . . . . A . 84 VAL HB . . A . 81 ALA HA . . . 84 VAL HB . . . . . 81 ALA HA . . rr_1k3h 1 1237 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 60 60 ALA HA H . . . . . . . 6.53 . . . . . A . 84 VAL MG1 . . A . 81 ALA HA . . . 84 VAL QG1 . . . . . 81 ALA HA . . rr_1k3h 1 1238 1 . . 1 1 60 60 ALA MB H . . . 1 1 61 61 GLU H H . . . . . . . 4.08 . . . . . A . 81 ALA MB . . A . 82 GLU H . . . 81 ALA QB . . . . . 82 GLU- HN . . rr_1k3h 1 1239 1 . . 1 1 60 60 ALA MB H . . . 1 1 61 61 GLU HA H . . . . . . . 6.47 . . . . . A . 81 ALA MB . . A . 82 GLU HA . . . 81 ALA QB . . . . . 82 GLU- HA . . rr_1k3h 1 1240 1 . . 1 1 60 60 ALA MB H . . . 1 1 61 61 GLU HG2 H . . . . . . . 6.53 . . . . . A . 81 ALA MB . . A . 82 GLU HG2 . . . 81 ALA QB . . . . . 82 GLU- HG2 . . rr_1k3h 1 1241 1 . . 1 1 60 60 ALA MB H . . . 1 1 61 61 GLU HG3 H . . . . . . . 5.72 . . . . . A . 81 ALA MB . . A . 82 GLU HG3 . . . 81 ALA QB . . . . . 82 GLU- HG3 . . rr_1k3h 1 1242 1 . . 1 1 63 63 VAL H H . . . 1 1 60 60 ALA MB H . . . . . . . 6.53 . . . . . A . 84 VAL H . . A . 81 ALA MB . . . 84 VAL HN . . . . . 81 ALA QB . . rr_1k3h 1 1243 1 . . 1 1 61 61 GLU H H . . . 1 1 61 61 GLU HB2 H . . . . . . . 3.58 . . . . . A . 82 GLU H . . A . 82 GLU HB2 . . . 82 GLU- HN . . . . . 82 GLU- HB2 . . rr_1k3h 1 1244 1 . . 1 1 61 61 GLU H H . . . 1 1 61 61 GLU HB3 H . . . . . . . 3.73 . . . . . A . 82 GLU H . . A . 82 GLU HB3 . . . 82 GLU- HN . . . . . 82 GLU- HB3 . . rr_1k3h 1 1245 1 . . 1 1 61 61 GLU H H . . . 1 1 61 61 GLU HG2 H . . . . . . . 4.01 . . . . . A . 82 GLU H . . A . 82 GLU HG2 . . . 82 GLU- HN . . . . . 82 GLU- HG2 . . rr_1k3h 1 1246 1 . . 1 1 61 61 GLU H H . . . 1 1 61 61 GLU HG3 H . . . . . . . 3.42 . . . . . A . 82 GLU H . . A . 82 GLU HG3 . . . 82 GLU- HN . . . . . 82 GLU- HG3 . . rr_1k3h 1 1247 1 . . 1 1 62 62 ALA H H . . . 1 1 61 61 GLU H H . . . . . . . 4.11 . . . . . A . 83 ALA H . . A . 82 GLU H . . . 83 ALA HN . . . . . 82 GLU- HN . . rr_1k3h 1 1248 1 . . 1 1 61 61 GLU HA H . . . 1 1 61 61 GLU HG2 H . . . . . . . 3.73 . . . . . A . 82 GLU HA . . A . 82 GLU HG2 . . . 82 GLU- HA . . . . . 82 GLU- HG2 . . rr_1k3h 1 1249 1 . . 1 1 61 61 GLU HA H . . . 1 1 61 61 GLU HG3 H . . . . . . . 4.14 . . . . . A . 82 GLU HA . . A . 82 GLU HG3 . . . 82 GLU- HA . . . . . 82 GLU- HG3 . . rr_1k3h 1 1250 1 . . 1 1 64 64 ALA H H . . . 1 1 61 61 GLU HA H . . . . . . . 4.82 . . . . . A . 85 ALA H . . A . 82 GLU HA . . . 85 ALA HN . . . . . 82 GLU- HA . . rr_1k3h 1 1251 1 . . 1 1 62 62 ALA H H . . . 1 1 61 61 GLU HB2 H . . . . . . . 4.11 . . . . . A . 83 ALA H . . A . 82 GLU HB2 . . . 83 ALA HN . . . . . 82 GLU- HB2 . . rr_1k3h 1 1252 1 . . 1 1 62 62 ALA H H . . . 1 1 61 61 GLU HB3 H . . . . . . . 4.35 . . . . . A . 83 ALA H . . A . 82 GLU HB3 . . . 83 ALA HN . . . . . 82 GLU- HB3 . . rr_1k3h 1 1253 1 . . 1 1 62 62 ALA H H . . . 1 1 61 61 GLU HG3 H . . . . . . . 5.50 . . . . . A . 83 ALA H . . A . 82 GLU HG3 . . . 83 ALA HN . . . . . 82 GLU- HG3 . . rr_1k3h 1 1254 1 . . 1 1 62 62 ALA H H . . . 1 1 63 63 VAL H H . . . . . . . 5.50 . . . . . A . 83 ALA H . . A . 84 VAL H . . . 83 ALA HN . . . . . 84 VAL HN . . rr_1k3h 1 1255 1 . . 1 1 62 62 ALA HA H . . . 1 1 65 65 ALA H H . . . . . . . 4.48 . . . . . A . 83 ALA HA . . A . 86 ALA H . . . 83 ALA HA . . . . . 86 ALA HN . . rr_1k3h 1 1256 1 . . 1 1 62 62 ALA HA H . . . 1 1 65 65 ALA MB H . . . . . . . 4.36 . . . . . A . 83 ALA HA . . A . 86 ALA MB . . . 83 ALA HA . . . . . 86 ALA QB . . rr_1k3h 1 1257 1 . . 1 1 62 62 ALA MB H . . . 1 1 63 63 VAL MG2 H . . . . . . . 7.15 . . . . . A . 83 ALA MB . . A . 84 VAL MG2 . . . 83 ALA QB . . . . . 84 VAL QG2 . . rr_1k3h 1 1258 1 . . 1 1 63 63 VAL H H . . . 1 1 63 63 VAL HB H . . . . . . . 3.33 . . . . . A . 84 VAL H . . A . 84 VAL HB . . . 84 VAL HN . . . . . 84 VAL HB . . rr_1k3h 1 1259 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 63 63 VAL H H . . . . . . . 3.95 . . . . . A . 84 VAL MG2 . . A . 84 VAL H . . . 84 VAL QG2 . . . . . 84 VAL HN . . rr_1k3h 1 1260 1 . . 1 1 63 63 VAL H H . . . 1 1 64 64 ALA H H . . . . . . . 3.83 . . . . . A . 84 VAL H . . A . 85 ALA H . . . 84 VAL HN . . . . . 85 ALA HN . . rr_1k3h 1 1261 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 63 63 VAL HA H . . . . . . . 3.77 . . . . . A . 84 VAL MG2 . . A . 84 VAL HA . . . 84 VAL QG2 . . . . . 84 VAL HA . . rr_1k3h 1 1262 1 . . 1 1 63 63 VAL HA H . . . 1 1 66 66 TRP H H . . . . . . . 4.20 . . . . . A . 84 VAL HA . . A . 87 TRP H . . . 84 VAL HA . . . . . 87 TRP HN . . rr_1k3h 1 1263 1 . . 1 1 63 63 VAL HA H . . . 1 1 66 66 TRP HE3 H . . . . . . . 5.50 . . . . . A . 84 VAL HA . . A . 87 TRP HE3 . . . 84 VAL HA . . . . . 87 TRP HE3 . . rr_1k3h 1 1264 1 . . 1 1 63 63 VAL HA H . . . 1 1 67 67 LEU H H . . . . . . . 4.54 . . . . . A . 84 VAL HA . . A . 88 LEU H . . . 84 VAL HA . . . . . 88 LEU HN . . rr_1k3h 1 1265 1 . . 1 1 63 63 VAL HB H . . . 1 1 64 64 ALA H H . . . . . . . 3.55 . . . . . A . 84 VAL HB . . A . 85 ALA H . . . 84 VAL HB . . . . . 85 ALA HN . . rr_1k3h 1 1266 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 64 64 ALA H H . . . . . . . 5.50 . . . . . A . 84 VAL MG1 . . A . 85 ALA H . . . 84 VAL QG1 . . . . . 85 ALA HN . . rr_1k3h 1 1267 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 64 64 ALA HA H . . . . . . . 5.63 . . . . . A . 84 VAL MG1 . . A . 85 ALA HA . . . 84 VAL QG1 . . . . . 85 ALA HA . . rr_1k3h 1 1268 1 . . 1 1 66 66 TRP HE3 H . . . 1 1 63 63 VAL MG1 H . . . . . . . 5.54 . . . . . A . 87 TRP HE3 . . A . 84 VAL MG1 . . . 87 TRP HE3 . . . . . 84 VAL QG1 . . rr_1k3h 1 1269 1 . . 1 1 66 66 TRP HZ3 H . . . 1 1 63 63 VAL MG1 H . . . . . . . 6.53 . . . . . A . 87 TRP HZ3 . . A . 84 VAL MG1 . . . 87 TRP HZ3 . . . . . 84 VAL QG1 . . rr_1k3h 1 1270 1 . . 1 1 67 67 LEU H H . . . 1 1 63 63 VAL MG1 H . . . . . . . 6.25 . . . . . A . 88 LEU H . . A . 84 VAL MG1 . . . 88 LEU HN . . . . . 84 VAL QG1 . . rr_1k3h 1 1271 1 . . 1 1 63 63 VAL MG1 H . . . 1 1 67 67 LEU HB2 H . . . . . . . 5.94 . . . . . A . 84 VAL MG1 . . A . 88 LEU HB2 . . . 84 VAL QG1 . . . . . 88 LEU HB2 . . rr_1k3h 1 1272 1 OR . 1 1 63 63 VAL MG1 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 9.13 . . . . . A . 84 VAL MG1 . . A . 88 LEU MD1 . . . 84 VAL QG1 . . . . . 88 LEU QQD . . rr_1k3h 1 1272 2 OR . 1 1 63 63 VAL MG1 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 9.13 . . . . . A . 84 VAL MG1 . . A . 88 LEU MD2 . . . 84 VAL QG1 . . . . . 88 LEU QQD . . rr_1k3h 1 1273 1 . . 1 1 63 63 VAL MG2 H . . . 1 1 64 64 ALA H H . . . . . . . 5.91 . . . . . A . 84 VAL MG2 . . A . 85 ALA H . . . 84 VAL QG2 . . . . . 85 ALA HN . . rr_1k3h 1 1274 1 . . 1 1 64 64 ALA H H . . . 1 1 65 65 ALA H H . . . . . . . 3.86 . . . . . A . 85 ALA H . . A . 86 ALA H . . . 85 ALA HN . . . . . 86 ALA HN . . rr_1k3h 1 1275 1 . . 1 1 66 66 TRP H H . . . 1 1 64 64 ALA H H . . . . . . . 5.50 . . . . . A . 87 TRP H . . A . 85 ALA H . . . 87 TRP HN . . . . . 85 ALA HN . . rr_1k3h 1 1276 1 . . 1 1 66 66 TRP H H . . . 1 1 64 64 ALA HA H . . . . . . . 5.50 . . . . . A . 87 TRP H . . A . 85 ALA HA . . . 87 TRP HN . . . . . 85 ALA HA . . rr_1k3h 1 1277 1 . . 1 1 67 67 LEU H H . . . 1 1 64 64 ALA HA H . . . . . . . 4.60 . . . . . A . 88 LEU H . . A . 85 ALA HA . . . 88 LEU HN . . . . . 85 ALA HA . . rr_1k3h 1 1278 1 . . 1 1 64 64 ALA HA H . . . 1 1 67 67 LEU HB2 H . . . . . . . 4.29 . . . . . A . 85 ALA HA . . A . 88 LEU HB2 . . . 85 ALA HA . . . . . 88 LEU HB2 . . rr_1k3h 1 1279 1 . . 1 1 64 64 ALA HA H . . . 1 1 67 67 LEU HB3 H . . . . . . . 4.69 . . . . . A . 85 ALA HA . . A . 88 LEU HB3 . . . 85 ALA HA . . . . . 88 LEU HB3 . . rr_1k3h 1 1280 1 OR . 1 1 64 64 ALA HA H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.38 . . . . . A . 85 ALA HA . . A . 88 LEU MD1 . . . 85 ALA HA . . . . . 88 LEU QQD . . rr_1k3h 1 1280 2 OR . 1 1 67 67 LEU MD2 H . . . 1 1 64 64 ALA HA H . . . . . . . 7.38 . . . . . A . 88 LEU MD2 . . A . 85 ALA HA . . . 88 LEU QQD . . . . . 85 ALA HA . . rr_1k3h 1 1281 1 . . 1 1 64 64 ALA HA H . . . 1 1 68 68 ALA H H . . . . . . . 5.16 . . . . . A . 85 ALA HA . . A . 89 ALA H . . . 85 ALA HA . . . . . 89 ALA HN . . rr_1k3h 1 1282 1 . . 1 1 64 64 ALA MB H . . . 1 1 65 65 ALA H H . . . . . . . 4.30 . . . . . A . 85 ALA MB . . A . 86 ALA H . . . 85 ALA QB . . . . . 86 ALA HN . . rr_1k3h 1 1283 1 . . 1 1 65 65 ALA H H . . . 1 1 65 65 ALA MB H . . . . . . . 3.61 . . . . . A . 86 ALA H . . A . 86 ALA MB . . . 86 ALA HN . . . . . 86 ALA QB . . rr_1k3h 1 1284 1 . . 1 1 66 66 TRP H H . . . 1 1 65 65 ALA H H . . . . . . . 5.50 . . . . . A . 87 TRP H . . A . 86 ALA H . . . 87 TRP HN . . . . . 86 ALA HN . . rr_1k3h 1 1285 1 . . 1 1 65 65 ALA H H . . . 1 1 66 66 TRP HB2 H . . . . . . . 5.50 . . . . . A . 86 ALA H . . A . 87 TRP HB2 . . . 86 ALA HN . . . . . 87 TRP HB2 . . rr_1k3h 1 1286 1 . . 1 1 66 66 TRP HB3 H . . . 1 1 65 65 ALA H H . . . . . . . 5.50 . . . . . A . 87 TRP HB3 . . A . 86 ALA H . . . 87 TRP HB3 . . . . . 86 ALA HN . . rr_1k3h 1 1287 1 . . 1 1 67 67 LEU H H . . . 1 1 65 65 ALA H H . . . . . . . 5.31 . . . . . A . 88 LEU H . . A . 86 ALA H . . . 88 LEU HN . . . . . 86 ALA HN . . rr_1k3h 1 1288 1 . . 1 1 65 65 ALA HA H . . . 1 1 68 68 ALA H H . . . . . . . 4.60 . . . . . A . 86 ALA HA . . A . 89 ALA H . . . 86 ALA HA . . . . . 89 ALA HN . . rr_1k3h 1 1289 1 . . 1 1 66 66 TRP H H . . . 1 1 65 65 ALA MB H . . . . . . . 4.26 . . . . . A . 87 TRP H . . A . 86 ALA MB . . . 87 TRP HN . . . . . 86 ALA QB . . rr_1k3h 1 1290 1 . . 1 1 65 65 ALA MB H . . . 1 1 66 66 TRP HB2 H . . . . . . . 6.28 . . . . . A . 86 ALA MB . . A . 87 TRP HB2 . . . 86 ALA QB . . . . . 87 TRP HB2 . . rr_1k3h 1 1291 1 . . 1 1 66 66 TRP HB3 H . . . 1 1 65 65 ALA MB H . . . . . . . 6.28 . . . . . A . 87 TRP HB3 . . A . 86 ALA MB . . . 87 TRP HB3 . . . . . 86 ALA QB . . rr_1k3h 1 1292 1 OR . 1 1 65 65 ALA MB H . . . 1 1 66 66 TRP HB2 H . . . . . . . 6.14 . . . . . A . 86 ALA MB . . A . 87 TRP HB2 . . . 86 ALA QB . . . . . 87 TRP QB . . rr_1k3h 1 1292 2 OR . 1 1 66 66 TRP HB3 H . . . 1 1 65 65 ALA MB H . . . . . . . 6.14 . . . . . A . 87 TRP HB3 . . A . 86 ALA MB . . . 87 TRP QB . . . . . 86 ALA QB . . rr_1k3h 1 1293 1 . . 1 1 66 66 TRP H H . . . 1 1 66 66 TRP HB2 H . . . . . . . 3.52 . . . . . A . 87 TRP H . . A . 87 TRP HB2 . . . 87 TRP HN . . . . . 87 TRP HB2 . . rr_1k3h 1 1294 1 . . 1 1 66 66 TRP HB3 H . . . 1 1 66 66 TRP H H . . . . . . . 3.52 . . . . . A . 87 TRP HB3 . . A . 87 TRP H . . . 87 TRP HB3 . . . . . 87 TRP HN . . rr_1k3h 1 1295 1 . . 1 1 66 66 TRP H H . . . 1 1 66 66 TRP HD1 H . . . . . . . 5.50 . . . . . A . 87 TRP H . . A . 87 TRP HD1 . . . 87 TRP HN . . . . . 87 TRP HD1 . . rr_1k3h 1 1296 1 . . 1 1 66 66 TRP H H . . . 1 1 66 66 TRP HE3 H . . . . . . . 5.50 . . . . . A . 87 TRP H . . A . 87 TRP HE3 . . . 87 TRP HN . . . . . 87 TRP HE3 . . rr_1k3h 1 1297 1 . . 1 1 66 66 TRP H H . . . 1 1 67 67 LEU H H . . . . . . . 3.73 . . . . . A . 87 TRP H . . A . 88 LEU H . . . 87 TRP HN . . . . . 88 LEU HN . . rr_1k3h 1 1298 1 . . 1 1 66 66 TRP H H . . . 1 1 68 68 ALA H H . . . . . . . 5.50 . . . . . A . 87 TRP H . . A . 89 ALA H . . . 87 TRP HN . . . . . 89 ALA HN . . rr_1k3h 1 1299 1 . . 1 1 66 66 TRP HA H . . . 1 1 66 66 TRP HD1 H . . . . . . . 4.54 . . . . . A . 87 TRP HA . . A . 87 TRP HD1 . . . 87 TRP HA . . . . . 87 TRP HD1 . . rr_1k3h 1 1300 1 . . 1 1 66 66 TRP HA H . . . 1 1 66 66 TRP HE3 H . . . . . . . 5.50 . . . . . A . 87 TRP HA . . A . 87 TRP HE3 . . . 87 TRP HA . . . . . 87 TRP HE3 . . rr_1k3h 1 1301 1 . . 1 1 66 66 TRP HA H . . . 1 1 66 66 TRP HE1 H . . . . . . . 5.50 . . . . . A . 87 TRP HA . . A . 87 TRP HE1 . . . 87 TRP HA . . . . . 87 TRP HE1 . . rr_1k3h 1 1302 1 . . 1 1 66 66 TRP HA H . . . 1 1 68 68 ALA H H . . . . . . . 5.50 . . . . . A . 87 TRP HA . . A . 89 ALA H . . . 87 TRP HA . . . . . 89 ALA HN . . rr_1k3h 1 1303 1 . . 1 1 67 67 LEU H H . . . 1 1 66 66 TRP HB2 H . . . . . . . 3.98 . . . . . A . 88 LEU H . . A . 87 TRP HB2 . . . 88 LEU HN . . . . . 87 TRP HB2 . . rr_1k3h 1 1304 1 . . 1 1 66 66 TRP HB3 H . . . 1 1 67 67 LEU H H . . . . . . . 3.98 . . . . . A . 87 TRP HB3 . . A . 88 LEU H . . . 87 TRP HB3 . . . . . 88 LEU HN . . rr_1k3h 1 1305 1 OR . 1 1 66 66 TRP HZ3 H . . . 1 1 66 66 TRP HB2 H . . . . . . . 5.92 . . . . . A . 87 TRP HZ3 . . A . 87 TRP HB2 . . . 87 TRP HZ3 . . . . . 87 TRP QB . . rr_1k3h 1 1305 2 OR . 1 1 66 66 TRP HB3 H . . . 1 1 66 66 TRP HZ3 H . . . . . . . 5.92 . . . . . A . 87 TRP HB3 . . A . 87 TRP HZ3 . . . 87 TRP QB . . . . . 87 TRP HZ3 . . rr_1k3h 1 1306 1 OR . 1 1 67 67 LEU HA H . . . 1 1 66 66 TRP HB2 H . . . . . . . 6.38 . . . . . A . 88 LEU HA . . A . 87 TRP HB2 . . . 88 LEU HA . . . . . 87 TRP QB . . rr_1k3h 1 1306 2 OR . 1 1 66 66 TRP HB3 H . . . 1 1 67 67 LEU HA H . . . . . . . 6.38 . . . . . A . 87 TRP HB3 . . A . 88 LEU HA . . . 87 TRP QB . . . . . 88 LEU HA . . rr_1k3h 1 1307 1 . . 1 1 66 66 TRP HD1 H . . . 1 1 67 67 LEU H H . . . . . . . 5.50 . . . . . A . 87 TRP HD1 . . A . 88 LEU H . . . 87 TRP HD1 . . . . . 88 LEU HN . . rr_1k3h 1 1308 1 . . 1 1 66 66 TRP HE3 H . . . 1 1 67 67 LEU H H . . . . . . . 4.69 . . . . . A . 87 TRP HE3 . . A . 88 LEU H . . . 87 TRP HE3 . . . . . 88 LEU HN . . rr_1k3h 1 1309 1 . . 1 1 66 66 TRP HE3 H . . . 1 1 67 67 LEU HA H . . . . . . . 4.97 . . . . . A . 87 TRP HE3 . . A . 88 LEU HA . . . 87 TRP HE3 . . . . . 88 LEU HA . . rr_1k3h 1 1310 1 . . 1 1 66 66 TRP HE3 H . . . 1 1 67 67 LEU HB2 H . . . . . . . 5.04 . . . . . A . 87 TRP HE3 . . A . 88 LEU HB2 . . . 87 TRP HE3 . . . . . 88 LEU HB2 . . rr_1k3h 1 1311 1 . . 1 1 66 66 TRP HE3 H . . . 1 1 67 67 LEU HB3 H . . . . . . . 5.50 . . . . . A . 87 TRP HE3 . . A . 88 LEU HB3 . . . 87 TRP HE3 . . . . . 88 LEU HB3 . . rr_1k3h 1 1312 1 . . 1 1 66 66 TRP HE3 H . . . 1 1 67 67 LEU HG H . . . . . . . 3.76 . . . . . A . 87 TRP HE3 . . A . 88 LEU HG . . . 87 TRP HE3 . . . . . 88 LEU HG . . rr_1k3h 1 1313 1 . . 1 1 66 66 TRP HE3 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 5.60 . . . . . A . 87 TRP HE3 . . A . 88 LEU MD1 . . . 87 TRP HE3 . . . . . 88 LEU QD1 . . rr_1k3h 1 1314 1 . . 1 1 66 66 TRP HE3 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 5.60 . . . . . A . 87 TRP HE3 . . A . 88 LEU MD2 . . . 87 TRP HE3 . . . . . 88 LEU QD2 . . rr_1k3h 1 1315 1 OR . 1 1 66 66 TRP HE3 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 5.00 . . . . . A . 87 TRP HE3 . . A . 88 LEU MD1 . . . 87 TRP HE3 . . . . . 88 LEU QQD . . rr_1k3h 1 1315 2 OR . 1 1 66 66 TRP HE3 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 5.00 . . . . . A . 87 TRP HE3 . . A . 88 LEU MD2 . . . 87 TRP HE3 . . . . . 88 LEU QQD . . rr_1k3h 1 1316 1 OR . 1 1 66 66 TRP HE3 H . . . 1 1 70 70 LYS HD2 H . . . . . . . 6.38 . . . . . A . 87 TRP HE3 . . A . 91 LYS HD2 . . . 87 TRP HE3 . . . . . 91 LYS+ QD . . rr_1k3h 1 1316 2 OR . 1 1 66 66 TRP HE3 H . . . 1 1 70 70 LYS HD3 H . . . . . . . 6.38 . . . . . A . 87 TRP HE3 . . A . 91 LYS HD3 . . . 87 TRP HE3 . . . . . 91 LYS+ QD . . rr_1k3h 1 1317 1 OR . 1 1 66 66 TRP HE1 H . . . 1 1 70 70 LYS HG2 H . . . . . . . 6.38 . . . . . A . 87 TRP HE1 . . A . 91 LYS HG2 . . . 87 TRP HE1 . . . . . 91 LYS+ QG . . rr_1k3h 1 1317 2 OR . 1 1 66 66 TRP HE1 H . . . 1 1 70 70 LYS HG3 H . . . . . . . 6.38 . . . . . A . 87 TRP HE1 . . A . 91 LYS HG3 . . . 87 TRP HE1 . . . . . 91 LYS+ QG . . rr_1k3h 1 1318 1 OR . 1 1 66 66 TRP HE1 H . . . 1 1 70 70 LYS HD2 H . . . . . . . 6.38 . . . . . A . 87 TRP HE1 . . A . 91 LYS HD2 . . . 87 TRP HE1 . . . . . 91 LYS+ QD . . rr_1k3h 1 1318 2 OR . 1 1 66 66 TRP HE1 H . . . 1 1 70 70 LYS HD3 H . . . . . . . 6.38 . . . . . A . 87 TRP HE1 . . A . 91 LYS HD3 . . . 87 TRP HE1 . . . . . 91 LYS+ QD . . rr_1k3h 1 1319 1 . . 1 1 66 66 TRP HZ3 H . . . 1 1 67 67 LEU HA H . . . . . . . 5.50 . . . . . A . 87 TRP HZ3 . . A . 88 LEU HA . . . 87 TRP HZ3 . . . . . 88 LEU HA . . rr_1k3h 1 1320 1 . . 1 1 66 66 TRP HZ3 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 5.13 . . . . . A . 87 TRP HZ3 . . A . 88 LEU MD1 . . . 87 TRP HZ3 . . . . . 88 LEU QD1 . . rr_1k3h 1 1321 1 . . 1 1 66 66 TRP HZ3 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 5.13 . . . . . A . 87 TRP HZ3 . . A . 88 LEU MD2 . . . 87 TRP HZ3 . . . . . 88 LEU QD2 . . rr_1k3h 1 1322 1 OR . 1 1 66 66 TRP HZ3 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 4.63 . . . . . A . 87 TRP HZ3 . . A . 88 LEU MD1 . . . 87 TRP HZ3 . . . . . 88 LEU QQD . . rr_1k3h 1 1322 2 OR . 1 1 66 66 TRP HZ3 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 4.63 . . . . . A . 87 TRP HZ3 . . A . 88 LEU MD2 . . . 87 TRP HZ3 . . . . . 88 LEU QQD . . rr_1k3h 1 1323 1 OR . 1 1 66 66 TRP HZ3 H . . . 1 1 70 70 LYS HD2 H . . . . . . . 6.38 . . . . . A . 87 TRP HZ3 . . A . 91 LYS HD2 . . . 87 TRP HZ3 . . . . . 91 LYS+ QD . . rr_1k3h 1 1323 2 OR . 1 1 66 66 TRP HZ3 H . . . 1 1 70 70 LYS HD3 H . . . . . . . 6.38 . . . . . A . 87 TRP HZ3 . . A . 91 LYS HD3 . . . 87 TRP HZ3 . . . . . 91 LYS+ QD . . rr_1k3h 1 1324 1 OR . 1 1 66 66 TRP HZ3 H . . . 1 1 70 70 LYS HE2 H . . . . . . . 6.38 . . . . . A . 87 TRP HZ3 . . A . 91 LYS HE2 . . . 87 TRP HZ3 . . . . . 91 LYS+ QE . . rr_1k3h 1 1324 2 OR . 1 1 66 66 TRP HZ3 H . . . 1 1 70 70 LYS HE3 H . . . . . . . 6.38 . . . . . A . 87 TRP HZ3 . . A . 91 LYS HE3 . . . 87 TRP HZ3 . . . . . 91 LYS+ QE . . rr_1k3h 1 1325 1 OR . 1 1 66 66 TRP HZ2 H . . . 1 1 70 70 LYS HD2 H . . . . . . . 6.38 . . . . . A . 87 TRP HZ2 . . A . 91 LYS HD2 . . . 87 TRP HZ2 . . . . . 91 LYS+ QD . . rr_1k3h 1 1325 2 OR . 1 1 66 66 TRP HZ2 H . . . 1 1 70 70 LYS HD3 H . . . . . . . 6.38 . . . . . A . 87 TRP HZ2 . . A . 91 LYS HD3 . . . 87 TRP HZ2 . . . . . 91 LYS+ QD . . rr_1k3h 1 1326 1 OR . 1 1 66 66 TRP HZ2 H . . . 1 1 70 70 LYS HE2 H . . . . . . . 6.38 . . . . . A . 87 TRP HZ2 . . A . 91 LYS HE2 . . . 87 TRP HZ2 . . . . . 91 LYS+ QE . . rr_1k3h 1 1326 2 OR . 1 1 66 66 TRP HZ2 H . . . 1 1 70 70 LYS HE3 H . . . . . . . 6.38 . . . . . A . 87 TRP HZ2 . . A . 91 LYS HE3 . . . 87 TRP HZ2 . . . . . 91 LYS+ QE . . rr_1k3h 1 1327 1 . . 1 1 66 66 TRP HH2 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 6.53 . . . . . A . 87 TRP HH2 . . A . 88 LEU MD1 . . . 87 TRP HH2 . . . . . 88 LEU QD1 . . rr_1k3h 1 1328 1 . . 1 1 66 66 TRP HH2 H . . . 1 1 67 67 LEU MD2 H . . . . . . . 6.53 . . . . . A . 87 TRP HH2 . . A . 88 LEU MD2 . . . 87 TRP HH2 . . . . . 88 LEU QD2 . . rr_1k3h 1 1329 1 OR . 1 1 66 66 TRP HH2 H . . . 1 1 70 70 LYS HD2 H . . . . . . . 6.38 . . . . . A . 87 TRP HH2 . . A . 91 LYS HD2 . . . 87 TRP HH2 . . . . . 91 LYS+ QD . . rr_1k3h 1 1329 2 OR . 1 1 66 66 TRP HH2 H . . . 1 1 70 70 LYS HD3 H . . . . . . . 6.38 . . . . . A . 87 TRP HH2 . . A . 91 LYS HD3 . . . 87 TRP HH2 . . . . . 91 LYS+ QD . . rr_1k3h 1 1330 1 OR . 1 1 66 66 TRP HH2 H . . . 1 1 70 70 LYS HE2 H . . . . . . . 6.19 . . . . . A . 87 TRP HH2 . . A . 91 LYS HE2 . . . 87 TRP HH2 . . . . . 91 LYS+ QE . . rr_1k3h 1 1330 2 OR . 1 1 66 66 TRP HH2 H . . . 1 1 70 70 LYS HE3 H . . . . . . . 6.19 . . . . . A . 87 TRP HH2 . . A . 91 LYS HE3 . . . 87 TRP HH2 . . . . . 91 LYS+ QE . . rr_1k3h 1 1331 1 . . 1 1 67 67 LEU H H . . . 1 1 67 67 LEU HB2 H . . . . . . . 3.42 . . . . . A . 88 LEU H . . A . 88 LEU HB2 . . . 88 LEU HN . . . . . 88 LEU HB2 . . rr_1k3h 1 1332 1 . . 1 1 67 67 LEU H H . . . 1 1 67 67 LEU HB3 H . . . . . . . 3.89 . . . . . A . 88 LEU H . . A . 88 LEU HB3 . . . 88 LEU HN . . . . . 88 LEU HB3 . . rr_1k3h 1 1333 1 . . 1 1 67 67 LEU H H . . . 1 1 67 67 LEU HG H . . . . . . . 4.17 . . . . . A . 88 LEU H . . A . 88 LEU HG . . . 88 LEU HN . . . . . 88 LEU HG . . rr_1k3h 1 1334 1 . . 1 1 67 67 LEU H H . . . 1 1 67 67 LEU MD1 H . . . . . . . 6.12 . . . . . A . 88 LEU H . . A . 88 LEU MD1 . . . 88 LEU HN . . . . . 88 LEU QD1 . . rr_1k3h 1 1335 1 . . 1 1 67 67 LEU H H . . . 1 1 67 67 LEU MD2 H . . . . . . . 6.12 . . . . . A . 88 LEU H . . A . 88 LEU MD2 . . . 88 LEU HN . . . . . 88 LEU QD2 . . rr_1k3h 1 1336 1 . . 1 1 67 67 LEU H H . . . 1 1 68 68 ALA H H . . . . . . . 3.76 . . . . . A . 88 LEU H . . A . 89 ALA H . . . 88 LEU HN . . . . . 89 ALA HN . . rr_1k3h 1 1337 1 . . 1 1 67 67 LEU H H . . . 1 1 68 68 ALA MB H . . . . . . . 5.97 . . . . . A . 88 LEU H . . A . 89 ALA MB . . . 88 LEU HN . . . . . 89 ALA QB . . rr_1k3h 1 1338 1 . . 1 1 67 67 LEU H H . . . 1 1 69 69 GLU H H . . . . . . . 5.50 . . . . . A . 88 LEU H . . A . 90 GLU H . . . 88 LEU HN . . . . . 90 GLU- HN . . rr_1k3h 1 1339 1 . . 1 1 67 67 LEU HA H . . . 1 1 67 67 LEU MD1 H . . . . . . . 4.73 . . . . . A . 88 LEU HA . . A . 88 LEU MD1 . . . 88 LEU HA . . . . . 88 LEU QD1 . . rr_1k3h 1 1340 1 . . 1 1 67 67 LEU MD2 H . . . 1 1 67 67 LEU HA H . . . . . . . 4.73 . . . . . A . 88 LEU MD2 . . A . 88 LEU HA . . . 88 LEU QD2 . . . . . 88 LEU HA . . rr_1k3h 1 1341 1 OR . 1 1 67 67 LEU HA H . . . 1 1 67 67 LEU MD1 H . . . . . . . 4.14 . . . . . A . 88 LEU HA . . A . 88 LEU MD1 . . . 88 LEU HA . . . . . 88 LEU QQD . . rr_1k3h 1 1341 2 OR . 1 1 67 67 LEU MD2 H . . . 1 1 67 67 LEU HA H . . . . . . . 4.14 . . . . . A . 88 LEU MD2 . . A . 88 LEU HA . . . 88 LEU QQD . . . . . 88 LEU HA . . rr_1k3h 1 1342 1 . . 1 1 67 67 LEU HA H . . . 1 1 69 69 GLU H H . . . . . . . 5.19 . . . . . A . 88 LEU HA . . A . 90 GLU H . . . 88 LEU HA . . . . . 90 GLU- HN . . rr_1k3h 1 1343 1 . . 1 1 70 70 LYS H H . . . 1 1 67 67 LEU HA H . . . . . . . 4.48 . . . . . A . 91 LYS H . . A . 88 LEU HA . . . 91 LYS+ HN . . . . . 88 LEU HA . . rr_1k3h 1 1344 1 . . 1 1 70 70 LYS HB2 H . . . 1 1 67 67 LEU HA H . . . . . . . 4.82 . . . . . A . 91 LYS HB2 . . A . 88 LEU HA . . . 91 LYS+ HB2 . . . . . 88 LEU HA . . rr_1k3h 1 1345 1 . . 1 1 67 67 LEU HA H . . . 1 1 70 70 LYS HB3 H . . . . . . . 4.82 . . . . . A . 88 LEU HA . . A . 91 LYS HB3 . . . 88 LEU HA . . . . . 91 LYS+ HB3 . . rr_1k3h 1 1346 1 OR . 1 1 67 67 LEU HA H . . . 1 1 70 70 LYS HB3 H . . . . . . . 4.66 . . . . . A . 88 LEU HA . . A . 91 LYS HB3 . . . 88 LEU HA . . . . . 91 LYS+ QB . . rr_1k3h 1 1346 2 OR . 1 1 70 70 LYS HB2 H . . . 1 1 67 67 LEU HA H . . . . . . . 4.66 . . . . . A . 91 LYS HB2 . . A . 88 LEU HA . . . 91 LYS+ QB . . . . . 88 LEU HA . . rr_1k3h 1 1347 1 . . 1 1 67 67 LEU HA H . . . 1 1 70 70 LYS HG2 H . . . . . . . 4.35 . . . . . A . 88 LEU HA . . A . 91 LYS HG2 . . . 88 LEU HA . . . . . 91 LYS+ HG2 . . rr_1k3h 1 1348 1 . . 1 1 67 67 LEU HA H . . . 1 1 70 70 LYS HG3 H . . . . . . . 4.35 . . . . . A . 88 LEU HA . . A . 91 LYS HG3 . . . 88 LEU HA . . . . . 91 LYS+ HG3 . . rr_1k3h 1 1349 1 OR . 1 1 67 67 LEU HA H . . . 1 1 70 70 LYS HG2 H . . . . . . . 4.09 . . . . . A . 88 LEU HA . . A . 91 LYS HG2 . . . 88 LEU HA . . . . . 91 LYS+ QG . . rr_1k3h 1 1349 2 OR . 1 1 67 67 LEU HA H . . . 1 1 70 70 LYS HG3 H . . . . . . . 4.09 . . . . . A . 88 LEU HA . . A . 91 LYS HG3 . . . 88 LEU HA . . . . . 91 LYS+ QG . . rr_1k3h 1 1350 1 OR . 1 1 67 67 LEU HA H . . . 1 1 70 70 LYS HD2 H . . . . . . . 6.38 . . . . . A . 88 LEU HA . . A . 91 LYS HD2 . . . 88 LEU HA . . . . . 91 LYS+ QD . . rr_1k3h 1 1350 2 OR . 1 1 67 67 LEU HA H . . . 1 1 70 70 LYS HD3 H . . . . . . . 6.38 . . . . . A . 88 LEU HA . . A . 91 LYS HD3 . . . 88 LEU HA . . . . . 91 LYS+ QD . . rr_1k3h 1 1351 1 OR . 1 1 67 67 LEU HA H . . . 1 1 70 70 LYS HE2 H . . . . . . . 6.38 . . . . . A . 88 LEU HA . . A . 91 LYS HE2 . . . 88 LEU HA . . . . . 91 LYS+ QE . . rr_1k3h 1 1351 2 OR . 1 1 70 70 LYS HE3 H . . . 1 1 67 67 LEU HA H . . . . . . . 6.38 . . . . . A . 91 LYS HE3 . . A . 88 LEU HA . . . 91 LYS+ QE . . . . . 88 LEU HA . . rr_1k3h 1 1352 1 . . 1 1 67 67 LEU HB2 H . . . 1 1 68 68 ALA H H . . . . . . . 4.26 . . . . . A . 88 LEU HB2 . . A . 89 ALA H . . . 88 LEU HB2 . . . . . 89 ALA HN . . rr_1k3h 1 1353 1 . . 1 1 67 67 LEU HB3 H . . . 1 1 68 68 ALA H H . . . . . . . 4.38 . . . . . A . 88 LEU HB3 . . A . 89 ALA H . . . 88 LEU HB3 . . . . . 89 ALA HN . . rr_1k3h 1 1354 1 . . 1 1 70 70 LYS H H . . . 1 1 67 67 LEU MD1 H . . . . . . . 6.53 . . . . . A . 91 LYS H . . A . 88 LEU MD1 . . . 91 LYS+ HN . . . . . 88 LEU QD1 . . rr_1k3h 1 1355 1 . . 1 1 70 70 LYS HB2 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 6.53 . . . . . A . 91 LYS HB2 . . A . 88 LEU MD1 . . . 91 LYS+ HB2 . . . . . 88 LEU QD1 . . rr_1k3h 1 1356 1 . . 1 1 67 67 LEU MD1 H . . . 1 1 70 70 LYS HB3 H . . . . . . . 6.53 . . . . . A . 88 LEU MD1 . . A . 91 LYS HB3 . . . 88 LEU QD1 . . . . . 91 LYS+ HB3 . . rr_1k3h 1 1357 1 . . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS H H . . . . . . . 6.53 . . . . . A . 88 LEU MD2 . . A . 91 LYS H . . . 88 LEU QD2 . . . . . 91 LYS+ HN . . rr_1k3h 1 1358 1 . . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HB2 H . . . . . . . 6.53 . . . . . A . 88 LEU MD2 . . A . 91 LYS HB2 . . . 88 LEU QD2 . . . . . 91 LYS+ HB2 . . rr_1k3h 1 1359 1 . . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HB3 H . . . . . . . 6.53 . . . . . A . 88 LEU MD2 . . A . 91 LYS HB3 . . . 88 LEU QD2 . . . . . 91 LYS+ HB3 . . rr_1k3h 1 1360 1 OR . 1 1 68 68 ALA H H . . . 1 1 67 67 LEU MD1 H . . . . . . . 8.10 . . . . . A . 89 ALA H . . A . 88 LEU MD1 . . . 89 ALA HN . . . . . 88 LEU QQD . . rr_1k3h 1 1360 2 OR . 1 1 67 67 LEU MD2 H . . . 1 1 68 68 ALA H H . . . . . . . 8.10 . . . . . A . 88 LEU MD2 . . A . 89 ALA H . . . 88 LEU QQD . . . . . 89 ALA HN . . rr_1k3h 1 1361 1 OR . 1 1 67 67 LEU MD1 H . . . 1 1 70 70 LYS HB3 H . . . . . . . 6.24 . . . . . A . 88 LEU MD1 . . A . 91 LYS HB3 . . . 88 LEU QQD . . . . . 91 LYS+ QB . . rr_1k3h 1 1361 2 OR . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HB3 H . . . . . . . 6.24 . . . . . A . 88 LEU MD2 . . A . 91 LYS HB3 . . . 88 LEU QQD . . . . . 91 LYS+ QB . . rr_1k3h 1 1361 3 OR . 1 1 70 70 LYS HB2 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 6.24 . . . . . A . 91 LYS HB2 . . A . 88 LEU MD1 . . . 91 LYS+ QB . . . . . 88 LEU QQD . . rr_1k3h 1 1361 4 OR . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HB2 H . . . . . . . 6.24 . . . . . A . 88 LEU MD2 . . A . 91 LYS HB2 . . . 88 LEU QQD . . . . . 91 LYS+ QB . . rr_1k3h 1 1362 1 OR . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HG2 H . . . . . . . 7.58 . . . . . A . 88 LEU MD2 . . A . 91 LYS HG2 . . . 88 LEU QQD . . . . . 91 LYS+ QG . . rr_1k3h 1 1362 2 OR . 1 1 67 67 LEU MD1 H . . . 1 1 70 70 LYS HG2 H . . . . . . . 7.58 . . . . . A . 88 LEU MD1 . . A . 91 LYS HG2 . . . 88 LEU QQD . . . . . 91 LYS+ QG . . rr_1k3h 1 1362 3 OR . 1 1 70 70 LYS HG3 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 7.58 . . . . . A . 91 LYS HG3 . . A . 88 LEU MD1 . . . 91 LYS+ QG . . . . . 88 LEU QQD . . rr_1k3h 1 1362 4 OR . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HG3 H . . . . . . . 7.58 . . . . . A . 88 LEU MD2 . . A . 91 LYS HG3 . . . 88 LEU QQD . . . . . 91 LYS+ QG . . rr_1k3h 1 1363 1 OR . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HD2 H . . . . . . . 8.79 . . . . . A . 88 LEU MD2 . . A . 91 LYS HD2 . . . 88 LEU QQD . . . . . 91 LYS+ QD . . rr_1k3h 1 1363 2 OR . 1 1 67 67 LEU MD1 H . . . 1 1 70 70 LYS HD2 H . . . . . . . 8.79 . . . . . A . 88 LEU MD1 . . A . 91 LYS HD2 . . . 88 LEU QQD . . . . . 91 LYS+ QD . . rr_1k3h 1 1363 3 OR . 1 1 70 70 LYS HD3 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 8.79 . . . . . A . 91 LYS HD3 . . A . 88 LEU MD1 . . . 91 LYS+ QD . . . . . 88 LEU QQD . . rr_1k3h 1 1363 4 OR . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HD3 H . . . . . . . 8.79 . . . . . A . 88 LEU MD2 . . A . 91 LYS HD3 . . . 88 LEU QQD . . . . . 91 LYS+ QD . . rr_1k3h 1 1364 1 OR . 1 1 67 67 LEU MD1 H . . . 1 1 70 70 LYS HE2 H . . . . . . . 8.98 . . . . . A . 88 LEU MD1 . . A . 91 LYS HE2 . . . 88 LEU QQD . . . . . 91 LYS+ QE . . rr_1k3h 1 1364 2 OR . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HE2 H . . . . . . . 8.98 . . . . . A . 88 LEU MD2 . . A . 91 LYS HE2 . . . 88 LEU QQD . . . . . 91 LYS+ QE . . rr_1k3h 1 1364 3 OR . 1 1 70 70 LYS HE3 H . . . 1 1 67 67 LEU MD1 H . . . . . . . 8.98 . . . . . A . 91 LYS HE3 . . A . 88 LEU MD1 . . . 91 LYS+ QE . . . . . 88 LEU QQD . . rr_1k3h 1 1364 4 OR . 1 1 67 67 LEU MD2 H . . . 1 1 70 70 LYS HE3 H . . . . . . . 8.98 . . . . . A . 88 LEU MD2 . . A . 91 LYS HE3 . . . 88 LEU QQD . . . . . 91 LYS+ QE . . rr_1k3h 1 1365 1 . . 1 1 68 68 ALA H H . . . 1 1 69 69 GLU H H . . . . . . . 4.01 . . . . . A . 89 ALA H . . A . 90 GLU H . . . 89 ALA HN . . . . . 90 GLU- HN . . rr_1k3h 1 1366 1 . . 1 1 70 70 LYS H H . . . 1 1 68 68 ALA H H . . . . . . . 5.50 . . . . . A . 91 LYS H . . A . 89 ALA H . . . 91 LYS+ HN . . . . . 89 ALA HN . . rr_1k3h 1 1367 1 . . 1 1 68 68 ALA HA H . . . 1 1 70 70 LYS H H . . . . . . . 5.28 . . . . . A . 89 ALA HA . . A . 91 LYS H . . . 89 ALA HA . . . . . 91 LYS+ HN . . rr_1k3h 1 1368 1 . . 1 1 69 69 GLU HA H . . . 1 1 68 68 ALA MB H . . . . . . . 4.98 . . . . . A . 90 GLU HA . . A . 89 ALA MB . . . 90 GLU- HA . . . . . 89 ALA QB . . rr_1k3h 1 1369 1 OR . 1 1 68 68 ALA MB H . . . 1 1 69 69 GLU HG2 H . . . . . . . 6.82 . . . . . A . 89 ALA MB . . A . 90 GLU HG2 . . . 89 ALA QB . . . . . 90 GLU- QG . . rr_1k3h 1 1369 2 OR . 1 1 68 68 ALA MB H . . . 1 1 69 69 GLU HG3 H . . . . . . . 6.82 . . . . . A . 89 ALA MB . . A . 90 GLU HG3 . . . 89 ALA QB . . . . . 90 GLU- QG . . rr_1k3h 1 1370 1 . . 1 1 70 70 LYS H H . . . 1 1 68 68 ALA MB H . . . . . . . 6.53 . . . . . A . 91 LYS H . . A . 89 ALA MB . . . 91 LYS+ HN . . . . . 89 ALA QB . . rr_1k3h 1 1371 1 . . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HB2 H . . . . . . . 4.14 . . . . . A . 90 GLU H . . A . 90 GLU HB2 . . . 90 GLU- HN . . . . . 90 GLU- HB2 . . rr_1k3h 1 1372 1 . . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HB3 H . . . . . . . 4.14 . . . . . A . 90 GLU H . . A . 90 GLU HB3 . . . 90 GLU- HN . . . . . 90 GLU- HB3 . . rr_1k3h 1 1373 1 OR . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HB2 H . . . . . . . 3.74 . . . . . A . 90 GLU H . . A . 90 GLU HB2 . . . 90 GLU- HN . . . . . 90 GLU- QB . . rr_1k3h 1 1373 2 OR . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HB3 H . . . . . . . 3.74 . . . . . A . 90 GLU H . . A . 90 GLU HB3 . . . 90 GLU- HN . . . . . 90 GLU- QB . . rr_1k3h 1 1374 1 . . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HG2 H . . . . . . . 5.07 . . . . . A . 90 GLU H . . A . 90 GLU HG2 . . . 90 GLU- HN . . . . . 90 GLU- HG2 . . rr_1k3h 1 1375 1 . . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HG3 H . . . . . . . 5.07 . . . . . A . 90 GLU H . . A . 90 GLU HG3 . . . 90 GLU- HN . . . . . 90 GLU- HG3 . . rr_1k3h 1 1376 1 OR . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HG2 H . . . . . . . 4.93 . . . . . A . 90 GLU H . . A . 90 GLU HG2 . . . 90 GLU- HN . . . . . 90 GLU- QG . . rr_1k3h 1 1376 2 OR . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HG3 H . . . . . . . 4.93 . . . . . A . 90 GLU H . . A . 90 GLU HG3 . . . 90 GLU- HN . . . . . 90 GLU- QG . . rr_1k3h 1 1377 1 . . 1 1 70 70 LYS H H . . . 1 1 69 69 GLU H H . . . . . . . 3.58 . . . . . A . 91 LYS H . . A . 90 GLU H . . . 91 LYS+ HN . . . . . 90 GLU- HN . . rr_1k3h 1 1378 1 OR . 1 1 69 69 GLU HA H . . . 1 1 71 71 LYS HE3 H . . . . . . . 5.20 . . . . . A . 90 GLU HA . . A . 92 LYS HE3 . . . 90 GLU- HA . . . . . 92 LYS+ QE . . rr_1k3h 1 1378 2 OR . 1 1 69 69 GLU HA H . . . 1 1 71 71 LYS HE2 H . . . . . . . 5.20 . . . . . A . 90 GLU HA . . A . 92 LYS HE2 . . . 90 GLU- HA . . . . . 92 LYS+ QE . . rr_1k3h 1 1379 1 . . 1 1 70 70 LYS H H . . . 1 1 69 69 GLU HB2 H . . . . . . . 5.38 . . . . . A . 91 LYS H . . A . 90 GLU HB2 . . . 91 LYS+ HN . . . . . 90 GLU- HB2 . . rr_1k3h 1 1380 1 . . 1 1 70 70 LYS H H . . . 1 1 69 69 GLU HB3 H . . . . . . . 5.38 . . . . . A . 91 LYS H . . A . 90 GLU HB3 . . . 91 LYS+ HN . . . . . 90 GLU- HB3 . . rr_1k3h 1 1381 1 . . 1 1 70 70 LYS HB2 H . . . 1 1 70 70 LYS H H . . . . . . . 3.79 . . . . . A . 91 LYS HB2 . . A . 91 LYS H . . . 91 LYS+ HB2 . . . . . 91 LYS+ HN . . rr_1k3h 1 1382 1 . . 1 1 70 70 LYS H H . . . 1 1 70 70 LYS HB3 H . . . . . . . 3.79 . . . . . A . 91 LYS H . . A . 91 LYS HB3 . . . 91 LYS+ HN . . . . . 91 LYS+ HB3 . . rr_1k3h 1 1383 1 OR . 1 1 70 70 LYS H H . . . 1 1 70 70 LYS HB3 H . . . . . . . 3.61 . . . . . A . 91 LYS H . . A . 91 LYS HB3 . . . 91 LYS+ HN . . . . . 91 LYS+ QB . . rr_1k3h 1 1383 2 OR . 1 1 70 70 LYS HB2 H . . . 1 1 70 70 LYS H H . . . . . . . 3.61 . . . . . A . 91 LYS HB2 . . A . 91 LYS H . . . 91 LYS+ QB . . . . . 91 LYS+ HN . . rr_1k3h 1 1384 1 . . 1 1 70 70 LYS H H . . . 1 1 70 70 LYS HG2 H . . . . . . . 4.60 . . . . . A . 91 LYS H . . A . 91 LYS HG2 . . . 91 LYS+ HN . . . . . 91 LYS+ HG2 . . rr_1k3h 1 1385 1 . . 1 1 70 70 LYS H H . . . 1 1 70 70 LYS HG3 H . . . . . . . 4.60 . . . . . A . 91 LYS H . . A . 91 LYS HG3 . . . 91 LYS+ HN . . . . . 91 LYS+ HG3 . . rr_1k3h 1 1386 1 OR . 1 1 70 70 LYS H H . . . 1 1 70 70 LYS HG2 H . . . . . . . 4.44 . . . . . A . 91 LYS H . . A . 91 LYS HG2 . . . 91 LYS+ HN . . . . . 91 LYS+ QG . . rr_1k3h 1 1386 2 OR . 1 1 70 70 LYS H H . . . 1 1 70 70 LYS HG3 H . . . . . . . 4.44 . . . . . A . 91 LYS H . . A . 91 LYS HG3 . . . 91 LYS+ HN . . . . . 91 LYS+ QG . . rr_1k3h 1 1387 1 OR . 1 1 70 70 LYS H H . . . 1 1 70 70 LYS HD2 H . . . . . . . 6.38 . . . . . A . 91 LYS H . . A . 91 LYS HD2 . . . 91 LYS+ HN . . . . . 91 LYS+ QD . . rr_1k3h 1 1387 2 OR . 1 1 70 70 LYS H H . . . 1 1 70 70 LYS HD3 H . . . . . . . 6.38 . . . . . A . 91 LYS H . . A . 91 LYS HD3 . . . 91 LYS+ HN . . . . . 91 LYS+ QD . . rr_1k3h 1 1388 1 OR . 1 1 70 70 LYS HA H . . . 1 1 70 70 LYS HG2 H . . . . . . . 3.92 . . . . . A . 91 LYS HA . . A . 91 LYS HG2 . . . 91 LYS+ HA . . . . . 91 LYS+ QG . . rr_1k3h 1 1388 2 OR . 1 1 70 70 LYS HG3 H . . . 1 1 70 70 LYS HA H . . . . . . . 3.92 . . . . . A . 91 LYS HG3 . . A . 91 LYS HA . . . 91 LYS+ QG . . . . . 91 LYS+ HA . . rr_1k3h 1 1389 1 OR . 1 1 70 70 LYS HA H . . . 1 1 70 70 LYS HD2 H . . . . . . . 6.38 . . . . . A . 91 LYS HA . . A . 91 LYS HD2 . . . 91 LYS+ HA . . . . . 91 LYS+ QD . . rr_1k3h 1 1389 2 OR . 1 1 70 70 LYS HD3 H . . . 1 1 70 70 LYS HA H . . . . . . . 6.38 . . . . . A . 91 LYS HD3 . . A . 91 LYS HA . . . 91 LYS+ QD . . . . . 91 LYS+ HA . . rr_1k3h 1 1390 1 . . 1 1 70 70 LYS HB2 H . . . 1 1 71 71 LYS H H . . . . . . . 5.50 . . . . . A . 91 LYS HB2 . . A . 92 LYS H . . . 91 LYS+ HB2 . . . . . 92 LYS+ HN . . rr_1k3h 1 1391 1 . . 1 1 71 71 LYS H H . . . 1 1 70 70 LYS HB3 H . . . . . . . 5.50 . . . . . A . 92 LYS H . . A . 91 LYS HB3 . . . 92 LYS+ HN . . . . . 91 LYS+ HB3 . . rr_1k3h 1 1392 1 OR . 1 1 71 71 LYS H H . . . 1 1 70 70 LYS HB3 H . . . . . . . 5.07 . . . . . A . 92 LYS H . . A . 91 LYS HB3 . . . 92 LYS+ HN . . . . . 91 LYS+ QB . . rr_1k3h 1 1392 2 OR . 1 1 70 70 LYS HB2 H . . . 1 1 71 71 LYS H H . . . . . . . 5.07 . . . . . A . 91 LYS HB2 . . A . 92 LYS H . . . 91 LYS+ QB . . . . . 92 LYS+ HN . . rr_1k3h 1 1393 1 OR . 1 1 71 71 LYS H H . . . 1 1 71 71 LYS HB3 H . . . . . . . 3.92 . . . . . A . 92 LYS H . . A . 92 LYS HB3 . . . 92 LYS+ HN . . . . . 92 LYS+ QB . . rr_1k3h 1 1393 2 OR . 1 1 71 71 LYS H H . . . 1 1 71 71 LYS HB2 H . . . . . . . 3.92 . . . . . A . 92 LYS H . . A . 92 LYS HB2 . . . 92 LYS+ HN . . . . . 92 LYS+ QB . . rr_1k3h 1 1394 1 . . 1 1 71 71 LYS H H . . . 1 1 71 71 LYS HG2 H . . . . . . . 4.60 . . . . . A . 92 LYS H . . A . 92 LYS HG2 . . . 92 LYS+ HN . . . . . 92 LYS+ HG2 . . rr_1k3h 1 1395 1 . . 1 1 71 71 LYS H H . . . 1 1 71 71 LYS HG3 H . . . . . . . 4.60 . . . . . A . 92 LYS H . . A . 92 LYS HG3 . . . 92 LYS+ HN . . . . . 92 LYS+ HG3 . . rr_1k3h 1 1396 1 . . 1 1 71 71 LYS HA H . . . 1 1 71 71 LYS HG2 H . . . . . . . 3.98 . . . . . A . 92 LYS HA . . A . 92 LYS HG2 . . . 92 LYS+ HA . . . . . 92 LYS+ HG2 . . rr_1k3h 1 1397 1 . . 1 1 71 71 LYS HA H . . . 1 1 71 71 LYS HG3 H . . . . . . . 3.98 . . . . . A . 92 LYS HA . . A . 92 LYS HG3 . . . 92 LYS+ HA . . . . . 92 LYS+ HG3 . . rr_1k3h 1 1398 1 . . 1 1 71 71 LYS HE2 H . . . 1 1 71 71 LYS HB2 H . . . . . . . 7.25 . . . . . A . 92 LYS HE2 . . A . 92 LYS HB2 . . . 92 LYS+ HE2 . . . . . 92 LYS+ HB2 . . rr_1k3h 1 1399 1 . . 1 1 71 71 LYS HB2 H . . . 1 1 71 71 LYS HE3 H . . . . . . . 7.25 . . . . . A . 92 LYS HB2 . . A . 92 LYS HE3 . . . 92 LYS+ HB2 . . . . . 92 LYS+ HE3 . . rr_1k3h 1 1400 1 . . 1 1 71 71 LYS HE2 H . . . 1 1 71 71 LYS HB3 H . . . . . . . 7.25 . . . . . A . 92 LYS HE2 . . A . 92 LYS HB3 . . . 92 LYS+ HE2 . . . . . 92 LYS+ HB3 . . rr_1k3h 1 1401 1 . . 1 1 71 71 LYS HB3 H . . . 1 1 71 71 LYS HE3 H . . . . . . . 7.25 . . . . . A . 92 LYS HB3 . . A . 92 LYS HE3 . . . 92 LYS+ HB3 . . . . . 92 LYS+ HE3 . . rr_1k3h 1 1402 1 OR . 1 1 71 71 LYS HB2 H . . . 1 1 71 71 LYS HE3 H . . . . . . . 5.51 . . . . . A . 92 LYS HB2 . . A . 92 LYS HE3 . . . 92 LYS+ QB . . . . . 92 LYS+ QE . . rr_1k3h 1 1402 2 OR . 1 1 71 71 LYS HB3 H . . . 1 1 71 71 LYS HE3 H . . . . . . . 5.51 . . . . . A . 92 LYS HB3 . . A . 92 LYS HE3 . . . 92 LYS+ QB . . . . . 92 LYS+ QE . . rr_1k3h 1 1402 3 OR . 1 1 71 71 LYS HE2 H . . . 1 1 71 71 LYS HB3 H . . . . . . . 5.51 . . . . . A . 92 LYS HE2 . . A . 92 LYS HB3 . . . 92 LYS+ QE . . . . . 92 LYS+ QB . . rr_1k3h 1 1402 4 OR . 1 1 71 71 LYS HE2 H . . . 1 1 71 71 LYS HB2 H . . . . . . . 5.51 . . . . . A . 92 LYS HE2 . . A . 92 LYS HB2 . . . 92 LYS+ QE . . . . . 92 LYS+ QB . . rr_1k3h 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 162 1 "Not handling restraint 162, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 2 2 196 1 "Not handling restraint 196, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 3 2 218 1 "Not handling restraint 218, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 4 2 237 1 "Not handling restraint 237, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 5 2 306 1 "Not handling restraint 306, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 6 2 310 1 "Not handling restraint 310, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 7 2 313 1 "Not handling restraint 313, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 8 2 316 1 "Not handling restraint 316, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 9 2 320 1 "Not handling restraint 320, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 10 2 320 1 "Not handling restraint 320, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 11 2 337 1 "Not handling restraint 337, item 1, resonance(s) ' .36.HT2A' (nmrStar names) not linked" rr_1k3h 1 12 2 338 1 "Not handling restraint 338, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 13 2 339 1 "Not handling restraint 339, item 1, resonance(s) ' .36.HT2A' (nmrStar names) not linked" rr_1k3h 1 14 2 340 1 "Not handling restraint 340, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 15 2 343 1 "Not handling restraint 343, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 16 2 348 1 "Not handling restraint 348, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 17 2 352 1 "Not handling restraint 352, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 18 2 352 1 "Not handling restraint 352, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 19 2 353 1 "Not handling restraint 353, item 1, resonance(s) ' .36.HT2A' (nmrStar names) not linked" rr_1k3h 1 20 2 353 1 "Not handling restraint 353, item 1, resonance(s) ' .36.HT2A' (nmrStar names) not linked" rr_1k3h 1 21 2 354 1 "Not handling restraint 354, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 22 2 354 1 "Not handling restraint 354, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 23 2 356 1 "Not handling restraint 356, item 1, resonance(s) ' .36.CAB' (nmrStar names) not linked" rr_1k3h 1 24 2 388 1 "Not handling restraint 388, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 25 2 389 1 "Not handling restraint 389, item 1, resonance(s) ' .36.HT4A' (nmrStar names) not linked" rr_1k3h 1 26 2 391 1 "Not handling restraint 391, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 27 2 392 1 "Not handling restraint 392, item 1, resonance(s) ' .36.HT4A' (nmrStar names) not linked" rr_1k3h 1 28 2 396 1 "Not handling restraint 396, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 29 2 396 1 "Not handling restraint 396, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 30 2 397 1 "Not handling restraint 397, item 1, resonance(s) ' .36.HT4A' (nmrStar names) not linked" rr_1k3h 1 31 2 397 1 "Not handling restraint 397, item 1, resonance(s) ' .36.HT4A' (nmrStar names) not linked" rr_1k3h 1 32 2 398 1 "Not handling restraint 398, item 1, resonance(s) ' .36.HBM' (nmrStar names) not linked" rr_1k3h 1 33 2 398 1 "Not handling restraint 398, item 1, resonance(s) ' .36.HBM' (nmrStar names) not linked" rr_1k3h 1 34 2 404 1 "Not handling restraint 404, item 1, resonance(s) ' .36.CAC' (nmrStar names) not linked" rr_1k3h 1 35 2 432 1 "Not handling restraint 432, item 1, resonance(s) ' .36.QBP7' (nmrStar names) not linked" rr_1k3h 1 36 2 433 1 "Not handling restraint 433, item 1, resonance(s) ' .36.HGM' (nmrStar names) not linked" rr_1k3h 1 37 2 434 1 "Not handling restraint 434, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 38 2 439 1 "Not handling restraint 439, item 1, resonance(s) ' .36.FE' (nmrStar names) not linked" rr_1k3h 1 39 2 440 1 "Not handling restraint 440, item 1, resonance(s) ' .36.HAP71' (nmrStar names),' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 40 2 441 1 "Not handling restraint 441, item 1, resonance(s) ' .36.HGM' (nmrStar names),' .36.HAP71' (nmrStar names) not linked" rr_1k3h 1 41 2 442 1 "Not handling restraint 442, item 1, resonance(s) ' .36.HAP61' (nmrStar names),' .36.HAP71' (nmrStar names) not linked" rr_1k3h 1 42 2 443 1 "Not handling restraint 443, item 1, resonance(s) ' .36.HAP71' (nmrStar names) not linked" rr_1k3h 1 43 2 444 1 "Not handling restraint 444, item 1, resonance(s) ' .36.HAP71' (nmrStar names) not linked" rr_1k3h 1 44 2 445 1 "Not handling restraint 445, item 1, resonance(s) ' .36.HAP71' (nmrStar names) not linked" rr_1k3h 1 45 2 446 1 "Not handling restraint 446, item 1, resonance(s) ' .36.QBP7' (nmrStar names),' .36.HAP72' (nmrStar names) not linked" rr_1k3h 1 46 2 447 1 "Not handling restraint 447, item 1, resonance(s) ' .36.QM8' (nmrStar names),' .36.HAP72' (nmrStar names) not linked" rr_1k3h 1 47 2 448 1 "Not handling restraint 448, item 1, resonance(s) ' .36.HAP72' (nmrStar names) not linked" rr_1k3h 1 48 2 448 1 "Not handling restraint 448, item 1, resonance(s) ' .36.HAP72' (nmrStar names) not linked" rr_1k3h 1 49 2 449 1 "Not handling restraint 449, item 1, resonance(s) ' .36.HAP72' (nmrStar names) not linked" rr_1k3h 1 50 2 450 1 "Not handling restraint 450, item 1, resonance(s) ' .36.HAP72' (nmrStar names) not linked" rr_1k3h 1 51 2 451 1 "Not handling restraint 451, item 1, resonance(s) ' .36.QM8' (nmrStar names),' .36.HBP73' (nmrStar names) not linked" rr_1k3h 1 52 2 452 1 "Not handling restraint 452, item 1, resonance(s) ' .36.HGM' (nmrStar names),' .36.HBP73' (nmrStar names) not linked" rr_1k3h 1 53 2 453 1 "Not handling restraint 453, item 1, resonance(s) ' .36.HAP61' (nmrStar names),' .36.HBP73' (nmrStar names) not linked" rr_1k3h 1 54 2 454 1 "Not handling restraint 454, item 1, resonance(s) ' .36.HBP73' (nmrStar names) not linked" rr_1k3h 1 55 2 454 1 "Not handling restraint 454, item 1, resonance(s) ' .36.HBP73' (nmrStar names) not linked" rr_1k3h 1 56 2 455 1 "Not handling restraint 455, item 1, resonance(s) ' .36.HBP73' (nmrStar names) not linked" rr_1k3h 1 57 2 456 1 "Not handling restraint 456, item 1, resonance(s) ' .36.QM8' (nmrStar names),' .36.HBP74' (nmrStar names) not linked" rr_1k3h 1 58 2 457 1 "Not handling restraint 457, item 1, resonance(s) ' .36.HGM' (nmrStar names),' .36.HBP74' (nmrStar names) not linked" rr_1k3h 1 59 2 458 1 "Not handling restraint 458, item 1, resonance(s) ' .36.HAP61' (nmrStar names),' .36.HBP74' (nmrStar names) not linked" rr_1k3h 1 60 2 459 1 "Not handling restraint 459, item 1, resonance(s) ' .36.HBP74' (nmrStar names) not linked" rr_1k3h 1 61 2 459 1 "Not handling restraint 459, item 1, resonance(s) ' .36.HBP74' (nmrStar names) not linked" rr_1k3h 1 62 2 460 1 "Not handling restraint 460, item 1, resonance(s) ' .36.HBP74' (nmrStar names) not linked" rr_1k3h 1 63 2 461 1 "Not handling restraint 461, item 1, resonance(s) ' .36.QBP7' (nmrStar names),' .36.HGM' (nmrStar names) not linked" rr_1k3h 1 64 2 462 1 "Not handling restraint 462, item 1, resonance(s) ' .36.QBP7' (nmrStar names),' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 65 2 463 1 "Not handling restraint 463, item 1, resonance(s) ' .36.QBP7' (nmrStar names) not linked" rr_1k3h 1 66 2 463 1 "Not handling restraint 463, item 1, resonance(s) ' .36.QBP7' (nmrStar names) not linked" rr_1k3h 1 67 2 464 1 "Not handling restraint 464, item 1, resonance(s) ' .36.QBP7' (nmrStar names) not linked" rr_1k3h 1 68 2 465 1 "Not handling restraint 465, item 1, resonance(s) ' .36.QBP7' (nmrStar names) not linked" rr_1k3h 1 69 2 466 1 "Not handling restraint 466, item 1, resonance(s) ' .36.QM1' (nmrStar names),' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 70 2 467 1 "Not handling restraint 467, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 71 2 468 1 "Not handling restraint 468, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 72 2 469 1 "Not handling restraint 469, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 73 2 470 1 "Not handling restraint 470, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 74 2 471 1 "Not handling restraint 471, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 75 2 472 1 "Not handling restraint 472, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 76 2 473 1 "Not handling restraint 473, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 77 2 473 1 "Not handling restraint 473, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 78 2 474 1 "Not handling restraint 474, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 79 2 475 1 "Not handling restraint 475, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 80 2 476 1 "Not handling restraint 476, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 81 2 477 1 "Not handling restraint 477, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 82 2 478 1 "Not handling restraint 478, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 83 2 478 1 "Not handling restraint 478, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 84 2 479 1 "Not handling restraint 479, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 85 2 480 1 "Not handling restraint 480, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 86 2 481 1 "Not handling restraint 481, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 87 2 482 1 "Not handling restraint 482, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 88 2 483 1 "Not handling restraint 483, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 89 2 484 1 "Not handling restraint 484, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 90 2 484 1 "Not handling restraint 484, item 1, resonance(s) ' .36.QM8' (nmrStar names) not linked" rr_1k3h 1 91 2 485 1 "Not handling restraint 485, item 1, resonance(s) ' .36.QM1' (nmrStar names),' .36.HT2A' (nmrStar names) not linked" rr_1k3h 1 92 2 486 1 "Not handling restraint 486, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 93 2 487 1 "Not handling restraint 487, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 94 2 488 1 "Not handling restraint 488, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 95 2 489 1 "Not handling restraint 489, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 96 2 490 1 "Not handling restraint 490, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 97 2 491 1 "Not handling restraint 491, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 98 2 492 1 "Not handling restraint 492, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 99 2 493 1 "Not handling restraint 493, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 100 2 494 1 "Not handling restraint 494, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 101 2 495 1 "Not handling restraint 495, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 102 2 496 1 "Not handling restraint 496, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 103 2 497 1 "Not handling restraint 497, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 104 2 498 1 "Not handling restraint 498, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 105 2 498 1 "Not handling restraint 498, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 1 106 2 499 1 "Not handling restraint 499, item 1, resonance(s) ' .36.HT2A' (nmrStar names),' .36.HAM' (nmrStar names) not linked" rr_1k3h 1 107 2 500 1 "Not handling restraint 500, item 1, resonance(s) ' .36.HT2A' (nmrStar names),' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 108 2 501 1 "Not handling restraint 501, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 109 2 502 1 "Not handling restraint 502, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 110 2 503 1 "Not handling restraint 503, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 111 2 504 1 "Not handling restraint 504, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 112 2 505 1 "Not handling restraint 505, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 113 2 506 1 "Not handling restraint 506, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 114 2 507 1 "Not handling restraint 507, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 115 2 508 1 "Not handling restraint 508, item 1, resonance(s) ' .36.QT2' (nmrStar names) not linked" rr_1k3h 1 116 2 509 1 "Not handling restraint 509, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 117 2 510 1 "Not handling restraint 510, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 118 2 511 1 "Not handling restraint 511, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 119 2 512 1 "Not handling restraint 512, item 1, resonance(s) ' .36.QM3' (nmrStar names) not linked" rr_1k3h 1 120 2 513 1 "Not handling restraint 513, item 1, resonance(s) ' .36.HT4A' (nmrStar names),' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 121 2 514 1 "Not handling restraint 514, item 1, resonance(s) ' .36.QT4' (nmrStar names) not linked" rr_1k3h 1 122 2 515 1 "Not handling restraint 515, item 1, resonance(s) ' .36.HAP61' (nmrStar names),' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 123 2 516 1 "Not handling restraint 516, item 1, resonance(s) ' .36.QM5' (nmrStar names),' .36.HAP62' (nmrStar names) not linked" rr_1k3h 1 124 2 517 1 "Not handling restraint 517, item 1, resonance(s) ' .36.QM5' (nmrStar names),' .36.HBP63' (nmrStar names) not linked" rr_1k3h 1 125 2 518 1 "Not handling restraint 518, item 1, resonance(s) ' .36.QM5' (nmrStar names),' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 126 2 519 1 "Not handling restraint 519, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 127 2 520 1 "Not handling restraint 520, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 128 2 521 1 "Not handling restraint 521, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 129 2 522 1 "Not handling restraint 522, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 130 2 523 1 "Not handling restraint 523, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 131 2 523 1 "Not handling restraint 523, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 132 2 524 1 "Not handling restraint 524, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 133 2 524 1 "Not handling restraint 524, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 134 2 525 1 "Not handling restraint 525, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 135 2 526 1 "Not handling restraint 526, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 136 2 526 1 "Not handling restraint 526, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 137 2 527 1 "Not handling restraint 527, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 138 2 527 1 "Not handling restraint 527, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 139 2 528 1 "Not handling restraint 528, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 140 2 528 1 "Not handling restraint 528, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 1 141 2 529 1 "Not handling restraint 529, item 1, resonance(s) ' .36.HGM' (nmrStar names),' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 142 2 530 1 "Not handling restraint 530, item 1, resonance(s) ' .36.HGM' (nmrStar names),' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 143 2 531 1 "Not handling restraint 531, item 1, resonance(s) ' .36.HAP61' (nmrStar names),' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 144 2 532 1 "Not handling restraint 532, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 145 2 532 1 "Not handling restraint 532, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 146 2 533 1 "Not handling restraint 533, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 147 2 534 1 "Not handling restraint 534, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 148 2 535 1 "Not handling restraint 535, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 149 2 535 1 "Not handling restraint 535, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 150 2 536 1 "Not handling restraint 536, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 151 2 536 1 "Not handling restraint 536, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 1 152 2 537 1 "Not handling restraint 537, item 1, resonance(s) ' .36.HAP62' (nmrStar names) not linked" rr_1k3h 1 153 2 537 1 "Not handling restraint 537, item 1, resonance(s) ' .36.HAP62' (nmrStar names) not linked" rr_1k3h 1 154 2 538 1 "Not handling restraint 538, item 1, resonance(s) ' .36.HBP63' (nmrStar names) not linked" rr_1k3h 1 155 2 539 1 "Not handling restraint 539, item 1, resonance(s) ' .36.HBP63' (nmrStar names) not linked" rr_1k3h 1 156 2 540 1 "Not handling restraint 540, item 1, resonance(s) ' .36.HBP63' (nmrStar names) not linked" rr_1k3h 1 157 2 541 1 "Not handling restraint 541, item 1, resonance(s) ' .36.HBP63' (nmrStar names) not linked" rr_1k3h 1 158 2 542 1 "Not handling restraint 542, item 1, resonance(s) ' .36.HBP63' (nmrStar names) not linked" rr_1k3h 1 159 2 543 1 "Not handling restraint 543, item 1, resonance(s) ' .36.HBP63' (nmrStar names) not linked" rr_1k3h 1 160 2 543 1 "Not handling restraint 543, item 1, resonance(s) ' .36.HBP63' (nmrStar names) not linked" rr_1k3h 1 161 2 544 1 "Not handling restraint 544, item 1, resonance(s) ' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 162 2 545 1 "Not handling restraint 545, item 1, resonance(s) ' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 163 2 546 1 "Not handling restraint 546, item 1, resonance(s) ' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 164 2 547 1 "Not handling restraint 547, item 1, resonance(s) ' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 165 2 548 1 "Not handling restraint 548, item 1, resonance(s) ' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 166 2 549 1 "Not handling restraint 549, item 1, resonance(s) ' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 167 2 549 1 "Not handling restraint 549, item 1, resonance(s) ' .36.HBP64' (nmrStar names) not linked" rr_1k3h 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1k3h _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 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_1k3h 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 15 15 HIS HD2 H . . . 1 1 15 15 HIS HA H . . . . . . . 5.5 . . . . . A . 36 HIS HD2 . . A . 36 HIS HA . . . 36 HEM HD2 . . . . . 36 HEM HA . . rr_1k3h 2 2 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HB2 H . . . . . . . 5.5 . . . . . A . 36 HIS HD2 . . A . 36 HIS HB2 . . . 36 HEM HD2 . . . . . 36 HEM HB2 . . rr_1k3h 2 3 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HB3 H . . . . . . . 5.5 . . . . . A . 36 HIS HD2 . . A . 36 HIS HB3 . . . 36 HEM HD2 . . . . . 36 HEM HB3 . . rr_1k3h 2 4 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 14 14 CYS HB2 H . . . . . . . 5.5 . . . . . A . 36 HIS HD2 . . A . 35 CYS HB2 . . . 36 HEM HD2 . . . . . 35 CYSS HB2 . . rr_1k3h 2 5 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 11 11 CYS HB3 H . . . . . . . 3.0 . . . . . A . 36 HIS HD2 . . A . 32 CYS HB3 . . . 36 HEM HD2 . . . . . 32 CYSS HB3 . . rr_1k3h 2 6 1 . . 1 1 27 27 ILE MD H . . . 1 1 15 15 HIS HD2 H . . . . . . . 6.5 . . . . . A . 48 ILE MD . . A . 36 HIS HD2 . . . 48 ILE QD1 . . . . . 36 HEM HD2 . . rr_1k3h 2 7 1 . . 1 1 24 24 ALA MB H . . . 1 1 15 15 HIS HE1 H . . . . . . . 6.5 . . . . . A . 45 ALA MB . . A . 36 HIS HE1 . . . 45 ALA QB . . . . . 36 HEM HE1 . . rr_1k3h 2 8 1 . . 1 1 15 15 HIS HE1 H . . . 1 1 25 25 PRO HD3 H . . . . . . . 5.5 . . . . . A . 36 HIS HE1 . . A . 46 PRO HD3 . . . 36 HEM HE1 . . . . . 46 PRO HD3 . . rr_1k3h 2 9 1 . . 1 1 27 27 ILE MG H . . . 1 1 15 15 HIS HE1 H . . . . . . . 6.5 . . . . . A . 48 ILE MG . . A . 36 HIS HE1 . . . 48 ILE QG2 . . . . . 36 HEM HE1 . . rr_1k3h 2 10 1 . . 1 1 27 27 ILE MD H . . . 1 1 15 15 HIS HE1 H . . . . . . . 6.5 . . . . . A . 48 ILE MD . . A . 36 HIS HE1 . . . 48 ILE QD1 . . . . . 36 HEM HE1 . . rr_1k3h 2 11 1 . . 1 1 50 50 MET HA H . . . 1 1 50 50 MET HB3 H . . . . . . . 5.5 . . . . . A . 71 MET HA . . A . 71 MET HB3 . . . 71 MET HA . . . . . 71 MET HB3 . . rr_1k3h 2 12 1 . . 1 1 50 50 MET HB2 H . . . 1 1 50 50 MET HB3 H . . . . . . . 3.0 . . . . . A . 71 MET HB2 . . A . 71 MET HB3 . . . 71 MET HB2 . . . . . 71 MET HB3 . . rr_1k3h 2 13 1 . . 1 1 50 50 MET HG2 H . . . 1 1 50 50 MET HB3 H . . . . . . . 5.5 . . . . . A . 71 MET HG2 . . A . 71 MET HB3 . . . 71 MET HG2 . . . . . 71 MET HB3 . . rr_1k3h 2 14 1 . . 1 1 47 47 GLN HB3 H . . . 1 1 50 50 MET HB3 H . . . . . . . 5.5 . . . . . A . 68 GLN HB3 . . A . 71 MET HB3 . . . 68 GLN HB3 . . . . . 71 MET HB3 . . rr_1k3h 2 15 1 . . 1 1 46 46 GLY HA2 H . . . 1 1 50 50 MET HB3 H . . . . . . . 5.5 . . . . . A . 67 GLY HA2 . . A . 71 MET HB3 . . . 67 GLY HA1 . . . . . 71 MET HB3 . . rr_1k3h 2 16 1 . . 1 1 50 50 MET HA H . . . 1 1 50 50 MET HG3 H . . . . . . . 3.0 . . . . . A . 71 MET HA . . A . 71 MET HG3 . . . 71 MET HA . . . . . 71 MET HG3 . . rr_1k3h 2 17 1 . . 1 1 50 50 MET HB3 H . . . 1 1 50 50 MET HG3 H . . . . . . . 5.5 . . . . . A . 71 MET HB3 . . A . 71 MET HG3 . . . 71 MET HB3 . . . . . 71 MET HG3 . . rr_1k3h 2 18 1 . . 1 1 50 50 MET HG2 H . . . 1 1 50 50 MET HG3 H . . . . . . . 3.0 . . . . . A . 71 MET HG2 . . A . 71 MET HG3 . . . 71 MET HG2 . . . . . 71 MET HG3 . . rr_1k3h 2 19 1 . . 1 1 46 46 GLY HA2 H . . . 1 1 50 50 MET HG3 H . . . . . . . 5.5 . . . . . A . 67 GLY HA2 . . A . 71 MET HG3 . . . 67 GLY HA1 . . . . . 71 MET HG3 . . rr_1k3h 2 20 1 . . 1 1 51 51 PRO HD2 H . . . 1 1 50 50 MET HG3 H . . . . . . . 5.5 . . . . . A . 72 PRO HD2 . . A . 71 MET HG3 . . . 72 PRO HD2 . . . . . 71 MET HG3 . . rr_1k3h 2 21 1 . . 1 1 50 50 MET HG3 H . . . 1 1 51 51 PRO HD3 H . . . . . . . 3.0 . . . . . A . 71 MET HG3 . . A . 72 PRO HD3 . . . 71 MET HG3 . . . . . 72 PRO HD3 . . rr_1k3h 2 22 1 . . 1 1 54 54 ILE MD H . . . 1 1 50 50 MET HG3 H . . . . . . . 6.5 . . . . . A . 75 ILE MD . . A . 71 MET HG3 . . . 75 ILE QD1 . . . . . 71 MET HG3 . . rr_1k3h 2 23 1 . . 1 1 50 50 MET ME H . . . 1 1 50 50 MET HA H . . . . . . . 6.5 . . . . . A . 71 MET ME . . A . 71 MET HA . . . 71 MET QE . . . . . 71 MET HA . . rr_1k3h 2 24 1 . . 1 1 50 50 MET ME H . . . 1 1 50 50 MET HB3 H . . . . . . . 6.5 . . . . . A . 71 MET ME . . A . 71 MET HB3 . . . 71 MET QE . . . . . 71 MET HB3 . . rr_1k3h 2 25 1 . . 1 1 42 42 ILE HB H . . . 1 1 50 50 MET ME H . . . . . . . 6.5 . . . . . A . 63 ILE HB . . A . 71 MET ME . . . 63 ILE HB . . . . . 71 MET QE . . rr_1k3h 2 26 1 . . 1 1 42 42 ILE MG H . . . 1 1 50 50 MET ME H . . . . . . . 6.5 . . . . . A . 63 ILE MG . . A . 71 MET ME . . . 63 ILE QG2 . . . . . 71 MET QE . . rr_1k3h 2 27 1 . . 1 1 50 50 MET ME H . . . 1 1 43 43 ILE H H . . . . . . . 6.5 . . . . . A . 71 MET ME . . A . 64 ILE H . . . 71 MET QE . . . . . 64 ILE HN . . rr_1k3h 2 28 1 . . 1 1 50 50 MET ME H . . . 1 1 43 43 ILE HA H . . . . . . . 3.0 . . . . . A . 71 MET ME . . A . 64 ILE HA . . . 71 MET QE . . . . . 64 ILE HA . . rr_1k3h 2 29 1 . . 1 1 43 43 ILE HG12 H . . . 1 1 50 50 MET ME H . . . . . . . 6.5 . . . . . A . 64 ILE HG12 . . A . 71 MET ME . . . 64 ILE HG12 . . . . . 71 MET QE . . rr_1k3h 2 30 1 . . 1 1 43 43 ILE HG13 H . . . 1 1 50 50 MET ME H . . . . . . . 6.5 . . . . . A . 64 ILE HG13 . . A . 71 MET ME . . . 64 ILE HG13 . . . . . 71 MET QE . . rr_1k3h 2 31 1 . . 1 1 43 43 ILE MG H . . . 1 1 50 50 MET ME H . . . . . . . 6.5 . . . . . A . 64 ILE MG . . A . 71 MET ME . . . 64 ILE QG2 . . . . . 71 MET QE . . rr_1k3h 2 32 1 . . 1 1 50 50 MET ME H . . . 1 1 46 46 GLY HA2 H . . . . . . . 6.5 . . . . . A . 71 MET ME . . A . 67 GLY HA2 . . . 71 MET QE . . . . . 67 GLY HA1 . . rr_1k3h 2 33 1 . . 1 1 50 50 MET ME H . . . 1 1 46 46 GLY HA3 H . . . . . . . 6.5 . . . . . A . 71 MET ME . . A . 67 GLY HA3 . . . 71 MET QE . . . . . 67 GLY HA2 . . rr_1k3h 2 34 1 . . 1 1 50 50 MET ME H . . . 1 1 51 51 PRO HD2 H . . . . . . . 6.5 . . . . . A . 71 MET ME . . A . 72 PRO HD2 . . . 71 MET QE . . . . . 72 PRO HD2 . . rr_1k3h 2 35 1 . . 1 1 50 50 MET ME H . . . 1 1 51 51 PRO HD3 H . . . . . . . 6.5 . . . . . A . 71 MET ME . . A . 72 PRO HD3 . . . 71 MET QE . . . . . 72 PRO HD3 . . rr_1k3h 2 36 1 . . 1 1 50 50 MET ME H . . . 1 1 54 54 ILE HB H . . . . . . . 6.5 . . . . . A . 71 MET ME . . A . 75 ILE HB . . . 71 MET QE . . . . . 75 ILE HB . . rr_1k3h 2 37 1 . . 1 1 50 50 MET ME H . . . 1 1 54 54 ILE MD H . . . . . . . 6.5 . . . . . A . 71 MET ME . . A . 75 ILE MD . . . 71 MET QE . . . . . 75 ILE QD1 . . rr_1k3h 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 4 7 1 "Not handling restraint 7, item 1, resonance(s) ' .36.HAP61' (nmrStar names) not linked" rr_1k3h 2 2 4 8 1 "Not handling restraint 8, item 1, resonance(s) ' .36.HBP73' (nmrStar names) not linked" rr_1k3h 2 3 4 9 1 "Not handling restraint 9, item 1, resonance(s) ' .36.HGM' (nmrStar names) not linked" rr_1k3h 2 4 4 19 1 "Not handling restraint 19, item 1, resonance(s) ' .36.HBP63' (nmrStar names) not linked" rr_1k3h 2 5 4 20 1 "Not handling restraint 20, item 1, resonance(s) ' .36.HBP64' (nmrStar names) not linked" rr_1k3h 2 6 4 21 1 "Not handling restraint 21, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 2 7 4 29 1 "Not handling restraint 29, item 1, resonance(s) ' .36.QM5' (nmrStar names) not linked" rr_1k3h 2 8 4 45 1 "Not handling restraint 45, item 1, resonance(s) ' .36.QM1' (nmrStar names) not linked" rr_1k3h 2 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_1k3h _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 ELECTRON TRANSPORT 03-OCT-01 1K3H *TITLE NMR SOLUTION STRUCTURE OF OXIDIZED CYTOCHROME C-553 FROM *TITLE 2 BACILLUS PASTEURII *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CYTOCHROME C-553; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: RESIDUES 22-92; *COMPND 5 SYNONYM: C553; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PASTEURII; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 6 EXPRESSION_SYSTEM_STRAIN: DH5ALPHA; *SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PEC86 *KEYWDS C-553, HEME, CYTOCHROME, BACILLUS PASTEURII, ELECTRON *KEYWDS 2 TRANSFER *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR L.BANCI, I.BERTINI, S.CIURLI, A.DIKIY, J.DITTMER, A.ROSATO, *AUTHOR 2 G.SCIARA, A.THOMPSETT *REVDAT 1 31-OCT-01 1K3H 0 Upper distance limits used in solution structure calculations.' save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_framecode MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1k3h _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment 'Dihedral angle constraints used in solution structure calculations. Residue # Dihedral angle Range' save_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_framecode MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1k3h _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 3 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '1D NOE' save_ save_MR_file_comment_7 _Org_constr_file_comment.Sf_framecode MR_file_comment_7 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1k3h _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 7 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment 'Pseudocontact shift constraints used for solution structure calculations. Residue # Atom name PCS (ppm) Tolerance' save_