data_Remediated_restraints_file_for_PDB_entry_1sso # This BMRB archive file contains, for PDB entry 1sso: # # - 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_1sso _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1sso' _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 1sso' _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 1sso 'Master copy' rr_1sso stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1sso _Assembly.ID 1 _Assembly.Name 1sso _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 7025.22 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 SSO7D 1 $SSO7D A . no . . . . . . rr_1sso 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SSO7D _Entity.Sf_category entity _Entity.Sf_framecode SSO7D _Entity.Entry_ID rr_1sso _Entity.ID 1 _Entity.Name SSO7D _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; ATVKFKYKGEEKQVDISKIK KVWRVGKMISFTYDEGGGKT GRGAVSEKDAPKELLQMLEK QK ; _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 62 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 7025.22 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 . ALA . rr_1sso 1 2 . THR . rr_1sso 1 3 . VAL . rr_1sso 1 4 . LYS . rr_1sso 1 5 . PHE . rr_1sso 1 6 . LYS . rr_1sso 1 7 . TYR . rr_1sso 1 8 . LYS . rr_1sso 1 9 . GLY . rr_1sso 1 10 . GLU . rr_1sso 1 11 . GLU . rr_1sso 1 12 . LYS . rr_1sso 1 13 . GLN . rr_1sso 1 14 . VAL . rr_1sso 1 15 . ASP . rr_1sso 1 16 . ILE . rr_1sso 1 17 . SER . rr_1sso 1 18 . LYS . rr_1sso 1 19 . ILE . rr_1sso 1 20 . LYS . rr_1sso 1 21 . LYS . rr_1sso 1 22 . VAL . rr_1sso 1 23 . TRP . rr_1sso 1 24 . ARG . rr_1sso 1 25 . VAL . rr_1sso 1 26 . GLY . rr_1sso 1 27 . LYS . rr_1sso 1 28 . MET . rr_1sso 1 29 . ILE . rr_1sso 1 30 . SER . rr_1sso 1 31 . PHE . rr_1sso 1 32 . THR . rr_1sso 1 33 . TYR . rr_1sso 1 34 . ASP . rr_1sso 1 35 . GLU . rr_1sso 1 36 . GLY . rr_1sso 1 37 . GLY . rr_1sso 1 38 . GLY . rr_1sso 1 39 . LYS . rr_1sso 1 40 . THR . rr_1sso 1 41 . GLY . rr_1sso 1 42 . ARG . rr_1sso 1 43 . GLY . rr_1sso 1 44 . ALA . rr_1sso 1 45 . VAL . rr_1sso 1 46 . SER . rr_1sso 1 47 . GLU . rr_1sso 1 48 . LYS . rr_1sso 1 49 . ASP . rr_1sso 1 50 . ALA . rr_1sso 1 51 . PRO . rr_1sso 1 52 . LYS . rr_1sso 1 53 . GLU . rr_1sso 1 54 . LEU . rr_1sso 1 55 . LEU . rr_1sso 1 56 . GLN . rr_1sso 1 57 . MET . rr_1sso 1 58 . LEU . rr_1sso 1 59 . GLU . rr_1sso 1 60 . LYS . rr_1sso 1 61 . GLN . rr_1sso 1 62 . LYS . rr_1sso 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 . ALA 1 1 rr_1sso 1 . THR 2 2 rr_1sso 1 . VAL 3 3 rr_1sso 1 . LYS 4 4 rr_1sso 1 . PHE 5 5 rr_1sso 1 . LYS 6 6 rr_1sso 1 . TYR 7 7 rr_1sso 1 . LYS 8 8 rr_1sso 1 . GLY 9 9 rr_1sso 1 . GLU 10 10 rr_1sso 1 . GLU 11 11 rr_1sso 1 . LYS 12 12 rr_1sso 1 . GLN 13 13 rr_1sso 1 . VAL 14 14 rr_1sso 1 . ASP 15 15 rr_1sso 1 . ILE 16 16 rr_1sso 1 . SER 17 17 rr_1sso 1 . LYS 18 18 rr_1sso 1 . ILE 19 19 rr_1sso 1 . LYS 20 20 rr_1sso 1 . LYS 21 21 rr_1sso 1 . VAL 22 22 rr_1sso 1 . TRP 23 23 rr_1sso 1 . ARG 24 24 rr_1sso 1 . VAL 25 25 rr_1sso 1 . GLY 26 26 rr_1sso 1 . LYS 27 27 rr_1sso 1 . MET 28 28 rr_1sso 1 . ILE 29 29 rr_1sso 1 . SER 30 30 rr_1sso 1 . PHE 31 31 rr_1sso 1 . THR 32 32 rr_1sso 1 . TYR 33 33 rr_1sso 1 . ASP 34 34 rr_1sso 1 . GLU 35 35 rr_1sso 1 . GLY 36 36 rr_1sso 1 . GLY 37 37 rr_1sso 1 . GLY 38 38 rr_1sso 1 . LYS 39 39 rr_1sso 1 . THR 40 40 rr_1sso 1 . GLY 41 41 rr_1sso 1 . ARG 42 42 rr_1sso 1 . GLY 43 43 rr_1sso 1 . ALA 44 44 rr_1sso 1 . VAL 45 45 rr_1sso 1 . SER 46 46 rr_1sso 1 . GLU 47 47 rr_1sso 1 . LYS 48 48 rr_1sso 1 . ASP 49 49 rr_1sso 1 . ALA 50 50 rr_1sso 1 . PRO 51 51 rr_1sso 1 . LYS 52 52 rr_1sso 1 . GLU 53 53 rr_1sso 1 . LEU 54 54 rr_1sso 1 . LEU 55 55 rr_1sso 1 . GLN 56 56 rr_1sso 1 . MET 57 57 rr_1sso 1 . LEU 58 58 rr_1sso 1 . GLU 59 59 rr_1sso 1 . LYS 60 60 rr_1sso 1 . GLN 61 61 rr_1sso 1 . LYS 62 62 rr_1sso 1 stop_ 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_1sso _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_1sso _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_1sso 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_1sso 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 ALA C C -1.735 1.098 10.457 . . . 1.0 . . . . . . . . . . . . A . 1 ALA C . . . . . . . . . rr_1sso 1 . 1 . 2 . 1 1 1 ALA CA C -2.874 0.935 11.465 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CA . . . . . . . . . rr_1sso 1 . 1 . 3 . 1 1 1 ALA CB C -4.136 0.468 10.737 . . . 1.0 . . . . . . . . . . . . A . 1 ALA CB . . . . . . . . . rr_1sso 1 . 1 . 4 . 1 1 1 ALA H1 H -3.035 3.010 11.442 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H1 . . . . . . . . . rr_1sso 1 . 1 . 5 . 1 1 1 ALA H2 H -4.107 2.246 12.511 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H2 . . . . . . . . . rr_1sso 1 . 1 . 6 . 1 1 1 ALA H3 H -2.461 2.376 12.910 . . . 1.0 . . . . . . . . . . . . A . 1 ALA H3 . . . . . . . . . rr_1sso 1 . 1 . 7 . 1 1 1 ALA HA H -2.595 0.201 12.208 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HA . . . . . . . . . rr_1sso 1 . 1 . 8 . 1 1 1 ALA HB1 H -4.969 0.465 11.424 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB1 . . . . . . . . . rr_1sso 1 . 1 . 9 . 1 1 1 ALA HB2 H -4.347 1.139 9.917 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB2 . . . . . . . . . rr_1sso 1 . 1 . 10 . 1 1 1 ALA HB3 H -3.982 -0.530 10.353 . . . 1.0 . . . . . . . . . . . . A . 1 ALA HB3 . . . . . . . . . rr_1sso 1 . 1 . 11 . 1 1 1 ALA N N -3.139 2.240 12.132 . . . 1.0 . . . . . . . . . . . . A . 1 ALA N . . . . . . . . . rr_1sso 1 . 1 . 12 . 1 1 1 ALA O O -1.383 2.200 10.079 . . . 1.0 . . . . . . . . . . . . A . 1 ALA O . . . . . . . . . rr_1sso 1 . 1 . 13 . 1 1 2 THR C C -0.149 -1.082 8.052 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . rr_1sso 1 . 1 . 14 . 1 1 2 THR CA C -0.041 0.085 9.036 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . rr_1sso 1 . 1 . 15 . 1 1 2 THR CB C 1.300 0.013 9.774 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . rr_1sso 1 . 1 . 16 . 1 1 2 THR CG2 C 1.352 -1.251 10.635 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . rr_1sso 1 . 1 . 17 . 1 1 2 THR H H -1.464 -0.866 10.343 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . rr_1sso 1 . 1 . 18 . 1 1 2 THR HA H -0.103 1.018 8.494 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . rr_1sso 1 . 1 . 19 . 1 1 2 THR HB H 1.409 0.880 10.408 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . rr_1sso 1 . 1 . 20 . 1 1 2 THR HG1 H 3.145 0.337 9.248 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . rr_1sso 1 . 1 . 21 . 1 1 2 THR HG21 H 0.347 -1.569 10.870 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . rr_1sso 1 . 1 . 22 . 1 1 2 THR HG22 H 1.860 -2.035 10.093 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . rr_1sso 1 . 1 . 23 . 1 1 2 THR HG23 H 1.887 -1.042 11.550 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . rr_1sso 1 . 1 . 24 . 1 1 2 THR N N -1.158 0.007 10.021 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . rr_1sso 1 . 1 . 25 . 1 1 2 THR O O -0.714 -2.114 8.363 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . rr_1sso 1 . 1 . 26 . 1 1 2 THR OG1 O 2.358 -0.014 8.825 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . rr_1sso 1 . 1 . 27 . 1 1 3 VAL C C 1.726 -2.575 5.606 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_1sso 1 . 1 . 28 . 1 1 3 VAL CA C 0.318 -2.022 5.859 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_1sso 1 . 1 . 29 . 1 1 3 VAL CB C -0.283 -1.474 4.553 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_1sso 1 . 1 . 30 . 1 1 3 VAL CG1 C 0.598 -0.348 4.001 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_1sso 1 . 1 . 31 . 1 1 3 VAL CG2 C -0.392 -2.601 3.513 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_1sso 1 . 1 . 32 . 1 1 3 VAL H H 0.836 -0.083 6.644 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_1sso 1 . 1 . 33 . 1 1 3 VAL HA H -0.312 -2.814 6.237 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_1sso 1 . 1 . 34 . 1 1 3 VAL HB H -1.270 -1.081 4.757 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_1sso 1 . 1 . 35 . 1 1 3 VAL HG11 H 1.605 -0.713 3.864 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_1sso 1 . 1 . 36 . 1 1 3 VAL HG12 H 0.205 -0.016 3.052 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_1sso 1 . 1 . 37 . 1 1 3 VAL HG13 H 0.606 0.477 4.697 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_1sso 1 . 1 . 38 . 1 1 3 VAL HG21 H 0.210 -3.442 3.825 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_1sso 1 . 1 . 39 . 1 1 3 VAL HG22 H -1.423 -2.911 3.427 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_1sso 1 . 1 . 40 . 1 1 3 VAL HG23 H -0.043 -2.247 2.554 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_1sso 1 . 1 . 41 . 1 1 3 VAL N N 0.388 -0.925 6.868 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_1sso 1 . 1 . 42 . 1 1 3 VAL O O 2.681 -1.831 5.483 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_1sso 1 . 1 . 43 . 1 1 4 LYS C C 3.161 -5.243 3.944 . . . 1.0 . . . . . . . . . . . . A . 4 LYS C . . . . . . . . . rr_1sso 1 . 1 . 44 . 1 1 4 LYS CA C 3.193 -4.485 5.273 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 45 . 1 1 4 LYS CB C 3.541 -5.452 6.410 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 46 . 1 1 4 LYS CD C 2.792 -7.471 7.680 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 47 . 1 1 4 LYS CE C 1.528 -8.175 8.175 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 48 . 1 1 4 LYS CG C 2.427 -6.491 6.563 . . . 1.0 . . . . . . . . . . . . A . 4 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 49 . 1 1 4 LYS H H 1.068 -4.450 5.623 . . . 1.0 . . . . . . . . . . . . A . 4 LYS H . . . . . . . . . rr_1sso 1 . 1 . 50 . 1 1 4 LYS HA H 3.939 -3.706 5.223 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 51 . 1 1 4 LYS HB2 H 4.471 -5.953 6.184 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 52 . 1 1 4 LYS HB3 H 3.644 -4.901 7.332 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 53 . 1 1 4 LYS HD2 H 3.490 -8.205 7.301 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 54 . 1 1 4 LYS HD3 H 3.246 -6.932 8.498 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 55 . 1 1 4 LYS HE2 H 0.709 -7.471 8.196 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 56 . 1 1 4 LYS HE3 H 1.286 -8.990 7.510 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 57 . 1 1 4 LYS HG2 H 1.501 -5.992 6.810 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 58 . 1 1 4 LYS HG3 H 2.309 -7.032 5.637 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 59 . 1 1 4 LYS HZ1 H 2.744 -9.034 9.631 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 60 . 1 1 4 LYS HZ2 H 1.584 -7.954 10.245 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 61 . 1 1 4 LYS HZ3 H 1.116 -9.503 9.725 . . . 1.0 . . . . . . . . . . . . A . 4 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 62 . 1 1 4 LYS N N 1.855 -3.875 5.523 . . . 1.0 . . . . . . . . . . . . A . 4 LYS N . . . . . . . . . rr_1sso 1 . 1 . 63 . 1 1 4 LYS NZ N 1.761 -8.707 9.548 . . . 1.0 . . . . . . . . . . . . A . 4 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 64 . 1 1 4 LYS O O 2.195 -5.910 3.625 . . . 1.0 . . . . . . . . . . . . A . 4 LYS O . . . . . . . . . rr_1sso 1 . 1 . 65 . 1 1 5 PHE C C 5.045 -7.144 1.998 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . rr_1sso 1 . 1 . 66 . 1 1 5 PHE CA C 4.245 -5.849 1.850 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . rr_1sso 1 . 1 . 67 . 1 1 5 PHE CB C 4.898 -4.974 0.768 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . rr_1sso 1 . 1 . 68 . 1 1 5 PHE CD1 C 3.411 -3.028 1.423 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . rr_1sso 1 . 1 . 69 . 1 1 5 PHE CD2 C 5.728 -2.591 0.859 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . rr_1sso 1 . 1 . 70 . 1 1 5 PHE CE1 C 3.210 -1.662 1.653 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . rr_1sso 1 . 1 . 71 . 1 1 5 PHE CE2 C 5.527 -1.226 1.090 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . rr_1sso 1 . 1 . 72 . 1 1 5 PHE CG C 4.672 -3.494 1.026 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . rr_1sso 1 . 1 . 73 . 1 1 5 PHE CZ C 4.267 -0.762 1.486 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . rr_1sso 1 . 1 . 74 . 1 1 5 PHE H H 4.972 -4.592 3.449 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . rr_1sso 1 . 1 . 75 . 1 1 5 PHE HA H 3.247 -6.088 1.544 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . rr_1sso 1 . 1 . 76 . 1 1 5 PHE HB2 H 5.947 -5.175 0.757 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . rr_1sso 1 . 1 . 77 . 1 1 5 PHE HB3 H 4.480 -5.234 -0.193 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . rr_1sso 1 . 1 . 78 . 1 1 5 PHE HD1 H 2.594 -3.723 1.552 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . rr_1sso 1 . 1 . 79 . 1 1 5 PHE HD2 H 6.700 -2.949 0.554 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . rr_1sso 1 . 1 . 80 . 1 1 5 PHE HE1 H 2.238 -1.303 1.958 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . rr_1sso 1 . 1 . 81 . 1 1 5 PHE HE2 H 6.343 -0.531 0.961 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . rr_1sso 1 . 1 . 82 . 1 1 5 PHE HZ H 4.109 0.291 1.659 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . rr_1sso 1 . 1 . 83 . 1 1 5 PHE N N 4.209 -5.139 3.168 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . rr_1sso 1 . 1 . 84 . 1 1 5 PHE O O 5.352 -7.573 3.093 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . rr_1sso 1 . 1 . 85 . 1 1 6 LYS C C 6.887 -9.225 -0.387 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . rr_1sso 1 . 1 . 86 . 1 1 6 LYS CA C 6.167 -9.026 0.949 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 87 . 1 1 6 LYS CB C 5.223 -10.205 1.213 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 88 . 1 1 6 LYS CD C 5.148 -12.531 2.130 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 89 . 1 1 6 LYS CE C 5.125 -13.162 3.524 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 90 . 1 1 6 LYS CG C 5.880 -11.187 2.187 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 91 . 1 1 6 LYS H H 5.131 -7.395 0.038 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . rr_1sso 1 . 1 . 92 . 1 1 6 LYS HA H 6.890 -8.955 1.738 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 93 . 1 1 6 LYS HB2 H 4.301 -9.836 1.640 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 94 . 1 1 6 LYS HB3 H 5.010 -10.712 0.284 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 95 . 1 1 6 LYS HD2 H 4.134 -12.374 1.789 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 96 . 1 1 6 LYS HD3 H 5.660 -13.191 1.447 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 97 . 1 1 6 LYS HE2 H 6.099 -13.064 3.980 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 98 . 1 1 6 LYS HE3 H 4.389 -12.661 4.134 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 99 . 1 1 6 LYS HG2 H 6.915 -11.328 1.912 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 100 . 1 1 6 LYS HG3 H 5.824 -10.790 3.190 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 101 . 1 1 6 LYS HZ1 H 4.076 -14.735 2.649 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 102 . 1 1 6 LYS HZ2 H 5.629 -15.155 3.188 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 103 . 1 1 6 LYS HZ3 H 4.372 -14.938 4.310 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 104 . 1 1 6 LYS N N 5.386 -7.764 0.898 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . rr_1sso 1 . 1 . 105 . 1 1 6 LYS NZ N 4.774 -14.607 3.409 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 106 . 1 1 6 LYS O O 6.308 -9.695 -1.349 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . rr_1sso 1 . 1 . 107 . 1 1 7 TYR C C 10.046 -10.015 -1.542 . . . 1.0 . . . . . . . . . . . . A . 7 TYR C . . . . . . . . . rr_1sso 1 . 1 . 108 . 1 1 7 TYR CA C 8.905 -9.014 -1.730 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CA . . . . . . . . . rr_1sso 1 . 1 . 109 . 1 1 7 TYR CB C 9.483 -7.659 -2.141 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CB . . . . . . . . . rr_1sso 1 . 1 . 110 . 1 1 7 TYR CD1 C 8.188 -7.429 -4.290 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CD1 . . . . . . . . . rr_1sso 1 . 1 . 111 . 1 1 7 TYR CD2 C 7.873 -5.767 -2.552 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CD2 . . . . . . . . . rr_1sso 1 . 1 . 112 . 1 1 7 TYR CE1 C 7.267 -6.756 -5.101 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CE1 . . . . . . . . . rr_1sso 1 . 1 . 113 . 1 1 7 TYR CE2 C 6.951 -5.094 -3.363 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CE2 . . . . . . . . . rr_1sso 1 . 1 . 114 . 1 1 7 TYR CG C 8.490 -6.934 -3.016 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CG . . . . . . . . . rr_1sso 1 . 1 . 115 . 1 1 7 TYR CZ C 6.649 -5.589 -4.637 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CZ . . . . . . . . . rr_1sso 1 . 1 . 116 . 1 1 7 TYR H H 8.583 -8.477 0.333 . . . 1.0 . . . . . . . . . . . . A . 7 TYR H . . . . . . . . . rr_1sso 1 . 1 . 117 . 1 1 7 TYR HA H 8.240 -9.368 -2.504 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HA . . . . . . . . . rr_1sso 1 . 1 . 118 . 1 1 7 TYR HB2 H 9.683 -7.070 -1.258 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HB2 . . . . . . . . . rr_1sso 1 . 1 . 119 . 1 1 7 TYR HB3 H 10.401 -7.810 -2.689 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HB3 . . . . . . . . . rr_1sso 1 . 1 . 120 . 1 1 7 TYR HD1 H 8.666 -8.330 -4.647 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HD1 . . . . . . . . . rr_1sso 1 . 1 . 121 . 1 1 7 TYR HD2 H 8.106 -5.387 -1.569 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HD2 . . . . . . . . . rr_1sso 1 . 1 . 122 . 1 1 7 TYR HE1 H 7.033 -7.137 -6.084 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HE1 . . . . . . . . . rr_1sso 1 . 1 . 123 . 1 1 7 TYR HE2 H 6.474 -4.194 -3.005 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HE2 . . . . . . . . . rr_1sso 1 . 1 . 124 . 1 1 7 TYR HH H 6.234 -4.426 -6.092 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HH . . . . . . . . . rr_1sso 1 . 1 . 125 . 1 1 7 TYR N N 8.143 -8.860 -0.455 . . . 1.0 . . . . . . . . . . . . A . 7 TYR N . . . . . . . . . rr_1sso 1 . 1 . 126 . 1 1 7 TYR O O 11.056 -9.712 -0.936 . . . 1.0 . . . . . . . . . . . . A . 7 TYR O . . . . . . . . . rr_1sso 1 . 1 . 127 . 1 1 7 TYR OH O 5.742 -4.925 -5.437 . . . 1.0 . . . . . . . . . . . . A . 7 TYR OH . . . . . . . . . rr_1sso 1 . 1 . 128 . 1 1 8 LYS C C 11.308 -12.474 -0.466 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1sso 1 . 1 . 129 . 1 1 8 LYS CA C 10.966 -12.239 -1.945 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 130 . 1 1 8 LYS CB C 12.215 -11.764 -2.698 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 131 . 1 1 8 LYS CD C 13.595 -12.436 -4.674 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 132 . 1 1 8 LYS CE C 13.533 -13.494 -5.777 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 133 . 1 1 8 LYS CG C 12.850 -12.944 -3.437 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 134 . 1 1 8 LYS H H 9.072 -11.415 -2.560 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1sso 1 . 1 . 135 . 1 1 8 LYS HA H 10.617 -13.164 -2.380 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 136 . 1 1 8 LYS HB2 H 11.936 -11.001 -3.411 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 137 . 1 1 8 LYS HB3 H 12.928 -11.356 -1.996 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 138 . 1 1 8 LYS HD2 H 13.134 -11.523 -5.022 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 139 . 1 1 8 LYS HD3 H 14.627 -12.244 -4.419 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 140 . 1 1 8 LYS HE2 H 13.665 -14.474 -5.344 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 141 . 1 1 8 LYS HE3 H 12.574 -13.444 -6.270 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 142 . 1 1 8 LYS HG2 H 13.544 -13.448 -2.780 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 143 . 1 1 8 LYS HG3 H 12.077 -13.633 -3.744 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 144 . 1 1 8 LYS HZ1 H 15.459 -12.882 -6.281 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 145 . 1 1 8 LYS HZ2 H 14.852 -14.127 -7.259 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 146 . 1 1 8 LYS HZ3 H 14.290 -12.537 -7.465 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 147 . 1 1 8 LYS N N 9.894 -11.204 -2.070 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1sso 1 . 1 . 148 . 1 1 8 LYS NZ N 14.616 -13.241 -6.770 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 149 . 1 1 8 LYS O O 12.459 -12.441 -0.070 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1sso 1 . 1 . 150 . 1 1 9 GLY C C 11.048 -11.673 2.471 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . rr_1sso 1 . 1 . 151 . 1 1 9 GLY CA C 10.567 -12.962 1.798 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . rr_1sso 1 . 1 . 152 . 1 1 9 GLY H H 9.396 -12.741 0.002 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . rr_1sso 1 . 1 . 153 . 1 1 9 GLY HA2 H 9.653 -13.294 2.270 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . rr_1sso 1 . 1 . 154 . 1 1 9 GLY HA3 H 11.324 -13.724 1.906 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . rr_1sso 1 . 1 . 155 . 1 1 9 GLY N N 10.313 -12.717 0.347 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . rr_1sso 1 . 1 . 156 . 1 1 9 GLY O O 11.734 -11.711 3.475 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . rr_1sso 1 . 1 . 157 . 1 1 10 GLU C C 9.880 -8.458 2.976 . . . 1.0 . . . . . . . . . . . . A . 10 GLU C . . . . . . . . . rr_1sso 1 . 1 . 158 . 1 1 10 GLU CA C 11.120 -9.243 2.542 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CA . . . . . . . . . rr_1sso 1 . 1 . 159 . 1 1 10 GLU CB C 11.914 -8.428 1.517 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CB . . . . . . . . . rr_1sso 1 . 1 . 160 . 1 1 10 GLU CD C 13.725 -6.728 1.234 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CD . . . . . . . . . rr_1sso 1 . 1 . 161 . 1 1 10 GLU CG C 13.021 -7.651 2.231 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CG . . . . . . . . . rr_1sso 1 . 1 . 162 . 1 1 10 GLU H H 10.133 -10.530 1.125 . . . 1.0 . . . . . . . . . . . . A . 10 GLU H . . . . . . . . . rr_1sso 1 . 1 . 163 . 1 1 10 GLU HA H 11.740 -9.442 3.404 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HA . . . . . . . . . rr_1sso 1 . 1 . 164 . 1 1 10 GLU HB2 H 12.353 -9.095 0.789 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB2 . . . . . . . . . rr_1sso 1 . 1 . 165 . 1 1 10 GLU HB3 H 11.254 -7.734 1.018 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB3 . . . . . . . . . rr_1sso 1 . 1 . 166 . 1 1 10 GLU HG2 H 12.591 -7.060 3.027 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG2 . . . . . . . . . rr_1sso 1 . 1 . 167 . 1 1 10 GLU HG3 H 13.738 -8.344 2.645 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG3 . . . . . . . . . rr_1sso 1 . 1 . 168 . 1 1 10 GLU N N 10.690 -10.535 1.931 . . . 1.0 . . . . . . . . . . . . A . 10 GLU N . . . . . . . . . rr_1sso 1 . 1 . 169 . 1 1 10 GLU O O 9.397 -7.600 2.262 . . . 1.0 . . . . . . . . . . . . A . 10 GLU O . . . . . . . . . rr_1sso 1 . 1 . 170 . 1 1 10 GLU OE1 O 13.040 -5.951 0.589 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE1 . . . . . . . . . rr_1sso 1 . 1 . 171 . 1 1 10 GLU OE2 O 14.938 -6.812 1.134 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE2 . . . . . . . . . rr_1sso 1 . 1 . 172 . 1 1 11 GLU C C 8.451 -6.541 4.773 . . . 1.0 . . . . . . . . . . . . A . 11 GLU C . . . . . . . . . rr_1sso 1 . 1 . 173 . 1 1 11 GLU CA C 8.146 -8.034 4.632 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CA . . . . . . . . . rr_1sso 1 . 1 . 174 . 1 1 11 GLU CB C 7.731 -8.599 5.992 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CB . . . . . . . . . rr_1sso 1 . 1 . 175 . 1 1 11 GLU CD C 7.540 -10.757 7.236 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CD . . . . . . . . . rr_1sso 1 . 1 . 176 . 1 1 11 GLU CG C 7.450 -10.097 5.859 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CG . . . . . . . . . rr_1sso 1 . 1 . 177 . 1 1 11 GLU H H 9.769 -9.451 4.694 . . . 1.0 . . . . . . . . . . . . A . 11 GLU H . . . . . . . . . rr_1sso 1 . 1 . 178 . 1 1 11 GLU HA H 7.341 -8.170 3.926 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HA . . . . . . . . . rr_1sso 1 . 1 . 179 . 1 1 11 GLU HB2 H 8.527 -8.443 6.705 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB2 . . . . . . . . . rr_1sso 1 . 1 . 180 . 1 1 11 GLU HB3 H 6.838 -8.097 6.333 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB3 . . . . . . . . . rr_1sso 1 . 1 . 181 . 1 1 11 GLU HG2 H 6.459 -10.243 5.453 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG2 . . . . . . . . . rr_1sso 1 . 1 . 182 . 1 1 11 GLU HG3 H 8.178 -10.544 5.199 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG3 . . . . . . . . . rr_1sso 1 . 1 . 183 . 1 1 11 GLU N N 9.360 -8.752 4.142 . . . 1.0 . . . . . . . . . . . . A . 11 GLU N . . . . . . . . . rr_1sso 1 . 1 . 184 . 1 1 11 GLU O O 9.224 -6.134 5.620 . . . 1.0 . . . . . . . . . . . . A . 11 GLU O . . . . . . . . . rr_1sso 1 . 1 . 185 . 1 1 11 GLU OE1 O 6.847 -10.308 8.133 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE1 . . . . . . . . . rr_1sso 1 . 1 . 186 . 1 1 11 GLU OE2 O 8.300 -11.702 7.369 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE2 . . . . . . . . . rr_1sso 1 . 1 . 187 . 1 1 12 LYS C C 7.103 -3.630 4.995 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . rr_1sso 1 . 1 . 188 . 1 1 12 LYS CA C 8.091 -4.264 4.015 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 189 . 1 1 12 LYS CB C 7.908 -3.650 2.627 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 190 . 1 1 12 LYS CD C 9.269 -2.589 0.817 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 191 . 1 1 12 LYS CE C 10.694 -2.432 0.285 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 192 . 1 1 12 LYS CG C 9.240 -3.692 1.876 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 193 . 1 1 12 LYS H H 7.239 -6.077 3.276 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . rr_1sso 1 . 1 . 194 . 1 1 12 LYS HA H 9.093 -4.095 4.352 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 195 . 1 1 12 LYS HB2 H 7.167 -4.216 2.080 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 196 . 1 1 12 LYS HB3 H 7.582 -2.626 2.723 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 197 . 1 1 12 LYS HD2 H 8.608 -2.854 0.004 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 198 . 1 1 12 LYS HD3 H 8.945 -1.658 1.257 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 199 . 1 1 12 LYS HE2 H 11.398 -2.720 1.052 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 200 . 1 1 12 LYS HE3 H 10.826 -3.063 -0.581 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 201 . 1 1 12 LYS HG2 H 10.051 -3.542 2.575 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 202 . 1 1 12 LYS HG3 H 9.352 -4.653 1.396 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 203 . 1 1 12 LYS HZ1 H 10.065 -0.620 -0.527 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 204 . 1 1 12 LYS HZ2 H 11.173 -0.459 0.751 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 205 . 1 1 12 LYS HZ3 H 11.712 -0.958 -0.777 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 206 . 1 1 12 LYS N N 7.849 -5.726 3.945 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . rr_1sso 1 . 1 . 207 . 1 1 12 LYS NZ N 10.929 -1.010 -0.096 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 208 . 1 1 12 LYS O O 6.215 -4.292 5.502 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . rr_1sso 1 . 1 . 209 . 1 1 13 GLN C C 6.187 -0.200 5.883 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . rr_1sso 1 . 1 . 210 . 1 1 13 GLN CA C 6.322 -1.687 6.229 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . rr_1sso 1 . 1 . 211 . 1 1 13 GLN CB C 6.875 -1.829 7.649 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . rr_1sso 1 . 1 . 212 . 1 1 13 GLN CD C 6.277 -1.840 10.075 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . rr_1sso 1 . 1 . 213 . 1 1 13 GLN CG C 5.765 -1.548 8.663 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . rr_1sso 1 . 1 . 214 . 1 1 13 GLN H H 7.976 -1.847 4.854 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . rr_1sso 1 . 1 . 215 . 1 1 13 GLN HA H 5.351 -2.157 6.175 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . rr_1sso 1 . 1 . 216 . 1 1 13 GLN HB2 H 7.247 -2.833 7.791 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . rr_1sso 1 . 1 . 217 . 1 1 13 GLN HB3 H 7.679 -1.123 7.794 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . rr_1sso 1 . 1 . 218 . 1 1 13 GLN HE21 H 4.637 -2.818 10.620 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . rr_1sso 1 . 1 . 219 . 1 1 13 GLN HE22 H 5.842 -2.700 11.811 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . rr_1sso 1 . 1 . 220 . 1 1 13 GLN HG2 H 5.469 -0.511 8.594 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . rr_1sso 1 . 1 . 221 . 1 1 13 GLN HG3 H 4.916 -2.180 8.452 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . rr_1sso 1 . 1 . 222 . 1 1 13 GLN N N 7.251 -2.358 5.272 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . rr_1sso 1 . 1 . 223 . 1 1 13 GLN NE2 N 5.523 -2.508 10.904 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . rr_1sso 1 . 1 . 224 . 1 1 13 GLN O O 7.165 0.490 5.669 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . rr_1sso 1 . 1 . 225 . 1 1 13 GLN OE1 O 7.375 -1.457 10.427 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . rr_1sso 1 . 1 . 226 . 1 1 14 VAL C C 3.517 2.221 6.299 . . . 1.0 . . . . . . . . . . . . A . 14 VAL C . . . . . . . . . rr_1sso 1 . 1 . 227 . 1 1 14 VAL CA C 4.748 1.736 5.528 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CA . . . . . . . . . rr_1sso 1 . 1 . 228 . 1 1 14 VAL CB C 4.507 1.912 4.025 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CB . . . . . . . . . rr_1sso 1 . 1 . 229 . 1 1 14 VAL CG1 C 4.370 3.402 3.697 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG1 . . . . . . . . . rr_1sso 1 . 1 . 230 . 1 1 14 VAL CG2 C 5.687 1.331 3.245 . . . 1.0 . . . . . . . . . . . . A . 14 VAL CG2 . . . . . . . . . rr_1sso 1 . 1 . 231 . 1 1 14 VAL H H 4.209 -0.288 6.029 . . . 1.0 . . . . . . . . . . . . A . 14 VAL H . . . . . . . . . rr_1sso 1 . 1 . 232 . 1 1 14 VAL HA H 5.612 2.312 5.827 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HA . . . . . . . . . rr_1sso 1 . 1 . 233 . 1 1 14 VAL HB H 3.599 1.398 3.745 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HB . . . . . . . . . rr_1sso 1 . 1 . 234 . 1 1 14 VAL HG11 H 4.932 3.983 4.414 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG11 . . . . . . . . . rr_1sso 1 . 1 . 235 . 1 1 14 VAL HG12 H 4.751 3.589 2.704 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG12 . . . . . . . . . rr_1sso 1 . 1 . 236 . 1 1 14 VAL HG13 H 3.328 3.687 3.741 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG13 . . . . . . . . . rr_1sso 1 . 1 . 237 . 1 1 14 VAL HG21 H 6.607 1.767 3.604 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG21 . . . . . . . . . rr_1sso 1 . 1 . 238 . 1 1 14 VAL HG22 H 5.717 0.261 3.382 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG22 . . . . . . . . . rr_1sso 1 . 1 . 239 . 1 1 14 VAL HG23 H 5.568 1.555 2.195 . . . 1.0 . . . . . . . . . . . . A . 14 VAL HG23 . . . . . . . . . rr_1sso 1 . 1 . 240 . 1 1 14 VAL N N 4.975 0.294 5.842 . . . 1.0 . . . . . . . . . . . . A . 14 VAL N . . . . . . . . . rr_1sso 1 . 1 . 241 . 1 1 14 VAL O O 2.454 1.634 6.216 . . . 1.0 . . . . . . . . . . . . A . 14 VAL O . . . . . . . . . rr_1sso 1 . 1 . 242 . 1 1 15 ASP C C 1.380 4.234 6.862 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_1sso 1 . 1 . 243 . 1 1 15 ASP CA C 2.493 3.815 7.826 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_1sso 1 . 1 . 244 . 1 1 15 ASP CB C 2.940 5.027 8.648 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_1sso 1 . 1 . 245 . 1 1 15 ASP CG C 3.548 4.552 9.969 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_1sso 1 . 1 . 246 . 1 1 15 ASP H H 4.520 3.741 7.096 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_1sso 1 . 1 . 247 . 1 1 15 ASP HA H 2.124 3.046 8.489 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_1sso 1 . 1 . 248 . 1 1 15 ASP HB2 H 3.678 5.586 8.091 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_1sso 1 . 1 . 249 . 1 1 15 ASP HB3 H 2.088 5.658 8.852 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_1sso 1 . 1 . 250 . 1 1 15 ASP N N 3.653 3.287 7.047 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_1sso 1 . 1 . 251 . 1 1 15 ASP O O 1.641 4.667 5.755 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_1sso 1 . 1 . 252 . 1 1 15 ASP OD1 O 3.015 3.616 10.541 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_1sso 1 . 1 . 253 . 1 1 15 ASP OD2 O 4.535 5.135 10.387 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_1sso 1 . 1 . 254 . 1 1 16 ILE C C -0.898 5.995 6.066 . . . 1.0 . . . . . . . . . . . . A . 16 ILE C . . . . . . . . . rr_1sso 1 . 1 . 255 . 1 1 16 ILE CA C -0.991 4.496 6.386 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CA . . . . . . . . . rr_1sso 1 . 1 . 256 . 1 1 16 ILE CB C -2.315 4.178 7.096 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CB . . . . . . . . . rr_1sso 1 . 1 . 257 . 1 1 16 ILE CD1 C -4.757 3.850 6.668 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CD1 . . . . . . . . . rr_1sso 1 . 1 . 258 . 1 1 16 ILE CG1 C -3.489 4.564 6.194 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG1 . . . . . . . . . rr_1sso 1 . 1 . 259 . 1 1 16 ILE CG2 C -2.404 4.958 8.410 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG2 . . . . . . . . . rr_1sso 1 . 1 . 260 . 1 1 16 ILE H H -0.043 3.757 8.167 . . . 1.0 . . . . . . . . . . . . A . 16 ILE H . . . . . . . . . rr_1sso 1 . 1 . 261 . 1 1 16 ILE HA H -0.933 3.931 5.466 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HA . . . . . . . . . rr_1sso 1 . 1 . 262 . 1 1 16 ILE HB H -2.359 3.119 7.308 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HB . . . . . . . . . rr_1sso 1 . 1 . 263 . 1 1 16 ILE HD11 H -4.533 2.812 6.865 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD11 . . . . . . . . . rr_1sso 1 . 1 . 264 . 1 1 16 ILE HD12 H -5.117 4.319 7.572 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD12 . . . . . . . . . rr_1sso 1 . 1 . 265 . 1 1 16 ILE HD13 H -5.515 3.916 5.901 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD13 . . . . . . . . . rr_1sso 1 . 1 . 266 . 1 1 16 ILE HG12 H -3.637 5.632 6.238 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG12 . . . . . . . . . rr_1sso 1 . 1 . 267 . 1 1 16 ILE HG13 H -3.271 4.271 5.179 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG13 . . . . . . . . . rr_1sso 1 . 1 . 268 . 1 1 16 ILE HG21 H -1.411 5.106 8.809 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG21 . . . . . . . . . rr_1sso 1 . 1 . 269 . 1 1 16 ILE HG22 H -2.866 5.918 8.229 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG22 . . . . . . . . . rr_1sso 1 . 1 . 270 . 1 1 16 ILE HG23 H -2.998 4.401 9.120 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG23 . . . . . . . . . rr_1sso 1 . 1 . 271 . 1 1 16 ILE N N 0.142 4.108 7.273 . . . 1.0 . . . . . . . . . . . . A . 16 ILE N . . . . . . . . . rr_1sso 1 . 1 . 272 . 1 1 16 ILE O O -1.298 6.438 5.006 . . . 1.0 . . . . . . . . . . . . A . 16 ILE O . . . . . . . . . rr_1sso 1 . 1 . 273 . 1 1 17 SER C C 0.878 8.490 5.724 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_1sso 1 . 1 . 274 . 1 1 17 SER CA C -0.240 8.238 6.737 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_1sso 1 . 1 . 275 . 1 1 17 SER CB C 0.098 8.942 8.052 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_1sso 1 . 1 . 276 . 1 1 17 SER H H -0.052 6.386 7.821 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_1sso 1 . 1 . 277 . 1 1 17 SER HA H -1.172 8.623 6.350 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_1sso 1 . 1 . 278 . 1 1 17 SER HB2 H 0.769 8.329 8.628 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_1sso 1 . 1 . 279 . 1 1 17 SER HB3 H 0.573 9.890 7.839 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_1sso 1 . 1 . 280 . 1 1 17 SER HG H -0.857 9.532 9.640 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_1sso 1 . 1 . 281 . 1 1 17 SER N N -0.368 6.771 6.978 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_1sso 1 . 1 . 282 . 1 1 17 SER O O 0.792 9.384 4.903 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_1sso 1 . 1 . 283 . 1 1 17 SER OG O -1.097 9.152 8.792 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_1sso 1 . 1 . 284 . 1 1 18 LYS C C 2.570 7.608 3.399 . . . 1.0 . . . . . . . . . . . . A . 18 LYS C . . . . . . . . . rr_1sso 1 . 1 . 285 . 1 1 18 LYS CA C 3.056 7.891 4.824 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 286 . 1 1 18 LYS CB C 4.191 6.921 5.190 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 287 . 1 1 18 LYS CD C 6.295 6.877 6.539 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 288 . 1 1 18 LYS CE C 7.661 7.541 6.717 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 289 . 1 1 18 LYS CG C 5.445 7.710 5.578 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 290 . 1 1 18 LYS H H 1.966 6.995 6.452 . . . 1.0 . . . . . . . . . . . . A . 18 LYS H . . . . . . . . . rr_1sso 1 . 1 . 291 . 1 1 18 LYS HA H 3.413 8.909 4.884 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 292 . 1 1 18 LYS HB2 H 3.882 6.308 6.024 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 293 . 1 1 18 LYS HB3 H 4.417 6.287 4.344 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 294 . 1 1 18 LYS HD2 H 5.797 6.813 7.496 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 295 . 1 1 18 LYS HD3 H 6.429 5.886 6.134 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 296 . 1 1 18 LYS HE2 H 8.378 6.806 7.050 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 297 . 1 1 18 LYS HE3 H 7.984 7.958 5.775 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 298 . 1 1 18 LYS HG2 H 6.018 7.935 4.690 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 299 . 1 1 18 LYS HG3 H 5.155 8.631 6.063 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 300 . 1 1 18 LYS HZ1 H 6.920 8.327 8.497 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 301 . 1 1 18 LYS HZ2 H 8.497 8.832 8.121 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 302 . 1 1 18 LYS HZ3 H 7.176 9.486 7.283 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 303 . 1 1 18 LYS N N 1.925 7.707 5.779 . . . 1.0 . . . . . . . . . . . . A . 18 LYS N . . . . . . . . . rr_1sso 1 . 1 . 304 . 1 1 18 LYS NZ N 7.555 8.629 7.731 . . . 1.0 . . . . . . . . . . . . A . 18 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 305 . 1 1 18 LYS O O 3.025 8.214 2.448 . . . 1.0 . . . . . . . . . . . . A . 18 LYS O . . . . . . . . . rr_1sso 1 . 1 . 306 . 1 1 19 ILE C C 0.441 7.590 1.294 . . . 1.0 . . . . . . . . . . . . A . 19 ILE C . . . . . . . . . rr_1sso 1 . 1 . 307 . 1 1 19 ILE CA C 1.127 6.359 1.890 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CA . . . . . . . . . rr_1sso 1 . 1 . 308 . 1 1 19 ILE CB C 0.123 5.205 1.997 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CB . . . . . . . . . rr_1sso 1 . 1 . 309 . 1 1 19 ILE CD1 C -0.190 2.863 2.798 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CD1 . . . . . . . . . rr_1sso 1 . 1 . 310 . 1 1 19 ILE CG1 C 0.820 3.995 2.623 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CG1 . . . . . . . . . rr_1sso 1 . 1 . 311 . 1 1 19 ILE CG2 C -0.397 4.827 0.603 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CG2 . . . . . . . . . rr_1sso 1 . 1 . 312 . 1 1 19 ILE H H 1.300 6.217 4.033 . . . 1.0 . . . . . . . . . . . . A . 19 ILE H . . . . . . . . . rr_1sso 1 . 1 . 313 . 1 1 19 ILE HA H 1.947 6.063 1.254 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HA . . . . . . . . . rr_1sso 1 . 1 . 314 . 1 1 19 ILE HB H -0.706 5.506 2.621 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HB . . . . . . . . . rr_1sso 1 . 1 . 315 . 1 1 19 ILE HD11 H -0.655 2.650 1.845 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD11 . . . . . . . . . rr_1sso 1 . 1 . 316 . 1 1 19 ILE HD12 H 0.317 1.982 3.156 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD12 . . . . . . . . . rr_1sso 1 . 1 . 317 . 1 1 19 ILE HD13 H -0.945 3.162 3.508 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD13 . . . . . . . . . rr_1sso 1 . 1 . 318 . 1 1 19 ILE HG12 H 1.621 3.668 1.977 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG12 . . . . . . . . . rr_1sso 1 . 1 . 319 . 1 1 19 ILE HG13 H 1.222 4.269 3.587 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG13 . . . . . . . . . rr_1sso 1 . 1 . 320 . 1 1 19 ILE HG21 H 0.438 4.693 -0.068 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG21 . . . . . . . . . rr_1sso 1 . 1 . 321 . 1 1 19 ILE HG22 H -0.960 3.907 0.666 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG22 . . . . . . . . . rr_1sso 1 . 1 . 322 . 1 1 19 ILE HG23 H -1.036 5.614 0.232 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG23 . . . . . . . . . rr_1sso 1 . 1 . 323 . 1 1 19 ILE N N 1.648 6.690 3.249 . . . 1.0 . . . . . . . . . . . . A . 19 ILE N . . . . . . . . . rr_1sso 1 . 1 . 324 . 1 1 19 ILE O O 0.116 8.532 1.991 . . . 1.0 . . . . . . . . . . . . A . 19 ILE O . . . . . . . . . rr_1sso 1 . 1 . 325 . 1 1 20 LYS C C -1.708 8.265 -1.373 . . . 1.0 . . . . . . . . . . . . A . 20 LYS C . . . . . . . . . rr_1sso 1 . 1 . 326 . 1 1 20 LYS CA C -0.442 8.740 -0.658 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 327 . 1 1 20 LYS CB C 0.514 9.362 -1.679 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 328 . 1 1 20 LYS CD C 2.203 11.160 -2.070 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 329 . 1 1 20 LYS CE C 2.328 12.662 -1.810 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 330 . 1 1 20 LYS CG C 1.257 10.536 -1.040 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 331 . 1 1 20 LYS H H 0.497 6.801 -0.525 . . . 1.0 . . . . . . . . . . . . A . 20 LYS H . . . . . . . . . rr_1sso 1 . 1 . 332 . 1 1 20 LYS HA H -0.705 9.478 0.086 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 333 . 1 1 20 LYS HB2 H 1.226 8.619 -2.003 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 334 . 1 1 20 LYS HB3 H -0.048 9.717 -2.530 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 335 . 1 1 20 LYS HD2 H 3.176 10.697 -1.990 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 336 . 1 1 20 LYS HD3 H 1.809 11.000 -3.062 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 337 . 1 1 20 LYS HE2 H 1.359 13.066 -1.556 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 338 . 1 1 20 LYS HE3 H 3.014 12.830 -0.993 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 339 . 1 1 20 LYS HG2 H 0.543 11.277 -0.708 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 340 . 1 1 20 LYS HG3 H 1.830 10.183 -0.196 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 341 . 1 1 20 LYS HZ1 H 3.679 12.830 -3.386 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 342 . 1 1 20 LYS HZ2 H 2.101 13.332 -3.769 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 343 . 1 1 20 LYS HZ3 H 3.101 14.317 -2.811 . . . 1.0 . . . . . . . . . . . . A . 20 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 344 . 1 1 20 LYS N N 0.222 7.579 0.006 . . . 1.0 . . . . . . . . . . . . A . 20 LYS N . . . . . . . . . rr_1sso 1 . 1 . 345 . 1 1 20 LYS NZ N 2.841 13.336 -3.037 . . . 1.0 . . . . . . . . . . . . A . 20 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 346 . 1 1 20 LYS O O -2.813 8.563 -0.960 . . . 1.0 . . . . . . . . . . . . A . 20 LYS O . . . . . . . . . rr_1sso 1 . 1 . 347 . 1 1 21 LYS C C -2.774 5.502 -3.141 . . . 1.0 . . . . . . . . . . . . A . 21 LYS C . . . . . . . . . rr_1sso 1 . 1 . 348 . 1 1 21 LYS CA C -2.741 7.030 -3.196 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 349 . 1 1 21 LYS CB C -2.653 7.490 -4.653 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 350 . 1 1 21 LYS CD C -3.388 9.254 -6.263 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 351 . 1 1 21 LYS CE C -4.587 10.183 -6.460 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 352 . 1 1 21 LYS CG C -3.258 8.890 -4.783 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 353 . 1 1 21 LYS H H -0.649 7.305 -2.753 . . . 1.0 . . . . . . . . . . . . A . 21 LYS H . . . . . . . . . rr_1sso 1 . 1 . 354 . 1 1 21 LYS HA H -3.641 7.425 -2.748 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 355 . 1 1 21 LYS HB2 H -1.618 7.513 -4.961 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 356 . 1 1 21 LYS HB3 H -3.201 6.804 -5.281 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 357 . 1 1 21 LYS HD2 H -2.488 9.754 -6.591 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 358 . 1 1 21 LYS HD3 H -3.533 8.356 -6.844 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 359 . 1 1 21 LYS HE2 H -5.499 9.604 -6.442 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 360 . 1 1 21 LYS HE3 H -4.610 10.916 -5.667 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 361 . 1 1 21 LYS HG2 H -4.234 8.905 -4.320 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 362 . 1 1 21 LYS HG3 H -2.615 9.607 -4.294 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 363 . 1 1 21 LYS HZ1 H -4.061 10.222 -8.474 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 364 . 1 1 21 LYS HZ2 H -5.405 11.188 -8.091 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 365 . 1 1 21 LYS HZ3 H -3.844 11.704 -7.673 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 366 . 1 1 21 LYS N N -1.552 7.529 -2.444 . . . 1.0 . . . . . . . . . . . . A . 21 LYS N . . . . . . . . . rr_1sso 1 . 1 . 367 . 1 1 21 LYS NZ N -4.465 10.877 -7.774 . . . 1.0 . . . . . . . . . . . . A . 21 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 368 . 1 1 21 LYS O O -1.767 4.860 -2.902 . . . 1.0 . . . . . . . . . . . . A . 21 LYS O . . . . . . . . . rr_1sso 1 . 1 . 369 . 1 1 22 VAL C C -5.126 2.964 -4.275 . . . 1.0 . . . . . . . . . . . . A . 22 VAL C . . . . . . . . . rr_1sso 1 . 1 . 370 . 1 1 22 VAL CA C -4.031 3.426 -3.313 . . . 1.0 . . . . . . . . . . . . A . 22 VAL CA . . . . . . . . . rr_1sso 1 . 1 . 371 . 1 1 22 VAL CB C -4.387 2.975 -1.893 . . . 1.0 . . . . . . . . . . . . A . 22 VAL CB . . . . . . . . . rr_1sso 1 . 1 . 372 . 1 1 22 VAL CG1 C -4.256 1.454 -1.793 . . . 1.0 . . . . . . . . . . . . A . 22 VAL CG1 . . . . . . . . . rr_1sso 1 . 1 . 373 . 1 1 22 VAL CG2 C -3.436 3.631 -0.887 . . . 1.0 . . . . . . . . . . . . A . 22 VAL CG2 . . . . . . . . . rr_1sso 1 . 1 . 374 . 1 1 22 VAL H H -4.720 5.455 -3.543 . . . 1.0 . . . . . . . . . . . . A . 22 VAL H . . . . . . . . . rr_1sso 1 . 1 . 375 . 1 1 22 VAL HA H -3.087 2.988 -3.604 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HA . . . . . . . . . rr_1sso 1 . 1 . 376 . 1 1 22 VAL HB H -5.404 3.263 -1.670 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HB . . . . . . . . . rr_1sso 1 . 1 . 377 . 1 1 22 VAL HG11 H -4.394 1.016 -2.770 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG11 . . . . . . . . . rr_1sso 1 . 1 . 378 . 1 1 22 VAL HG12 H -3.276 1.200 -1.419 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG12 . . . . . . . . . rr_1sso 1 . 1 . 379 . 1 1 22 VAL HG13 H -5.008 1.072 -1.118 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG13 . . . . . . . . . rr_1sso 1 . 1 . 380 . 1 1 22 VAL HG21 H -2.414 3.424 -1.170 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG21 . . . . . . . . . rr_1sso 1 . 1 . 381 . 1 1 22 VAL HG22 H -3.599 4.699 -0.883 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG22 . . . . . . . . . rr_1sso 1 . 1 . 382 . 1 1 22 VAL HG23 H -3.624 3.234 0.099 . . . 1.0 . . . . . . . . . . . . A . 22 VAL HG23 . . . . . . . . . rr_1sso 1 . 1 . 383 . 1 1 22 VAL N N -3.925 4.915 -3.356 . . . 1.0 . . . . . . . . . . . . A . 22 VAL N . . . . . . . . . rr_1sso 1 . 1 . 384 . 1 1 22 VAL O O -6.262 3.393 -4.185 . . . 1.0 . . . . . . . . . . . . A . 22 VAL O . . . . . . . . . rr_1sso 1 . 1 . 385 . 1 1 23 TRP C C -5.548 0.113 -6.470 . . . 1.0 . . . . . . . . . . . . A . 23 TRP C . . . . . . . . . rr_1sso 1 . 1 . 386 . 1 1 23 TRP CA C -5.817 1.591 -6.157 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CA . . . . . . . . . rr_1sso 1 . 1 . 387 . 1 1 23 TRP CB C -5.763 2.428 -7.446 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CB . . . . . . . . . rr_1sso 1 . 1 . 388 . 1 1 23 TRP CD1 C -4.221 1.483 -9.212 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CD1 . . . . . . . . . rr_1sso 1 . 1 . 389 . 1 1 23 TRP CD2 C -3.155 2.862 -7.790 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CD2 . . . . . . . . . rr_1sso 1 . 1 . 390 . 1 1 23 TRP CE2 C -2.188 2.406 -8.718 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CE2 . . . . . . . . . rr_1sso 1 . 1 . 391 . 1 1 23 TRP CE3 C -2.739 3.749 -6.781 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CE3 . . . . . . . . . rr_1sso 1 . 1 . 392 . 1 1 23 TRP CG C -4.438 2.260 -8.127 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CG . . . . . . . . . rr_1sso 1 . 1 . 393 . 1 1 23 TRP CH2 C -0.460 3.697 -7.640 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CH2 . . . . . . . . . rr_1sso 1 . 1 . 394 . 1 1 23 TRP CZ2 C -0.857 2.815 -8.648 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CZ2 . . . . . . . . . rr_1sso 1 . 1 . 395 . 1 1 23 TRP CZ3 C -1.399 4.163 -6.708 . . . 1.0 . . . . . . . . . . . . A . 23 TRP CZ3 . . . . . . . . . rr_1sso 1 . 1 . 396 . 1 1 23 TRP H H -3.875 1.756 -5.239 . . . 1.0 . . . . . . . . . . . . A . 23 TRP H . . . . . . . . . rr_1sso 1 . 1 . 397 . 1 1 23 TRP HA H -6.796 1.685 -5.714 . . . 1.0 . . . . . . . . . . . . A . 23 TRP HA . . . . . . . . . rr_1sso 1 . 1 . 398 . 1 1 23 TRP HB2 H -6.549 2.106 -8.113 . . . 1.0 . . . . . . . . . . . . A . 23 TRP HB2 . . . . . . . . . rr_1sso 1 . 1 . 399 . 1 1 23 TRP HB3 H -5.910 3.470 -7.200 . . . 1.0 . . . . . . . . . . . . A . 23 TRP HB3 . . . . . . . . . rr_1sso 1 . 1 . 400 . 1 1 23 TRP HD1 H -4.969 0.892 -9.721 . . . 1.0 . . . . . . . . . . . . A . 23 TRP HD1 . . . . . . . . . rr_1sso 1 . 1 . 401 . 1 1 23 TRP HE1 H -2.470 1.100 -10.316 . . . 1.0 . . . . . . . . . . . . A . 23 TRP HE1 . . . . . . . . . rr_1sso 1 . 1 . 402 . 1 1 23 TRP HE3 H -3.454 4.114 -6.059 . . . 1.0 . . . . . . . . . . . . A . 23 TRP HE3 . . . . . . . . . rr_1sso 1 . 1 . 403 . 1 1 23 TRP HH2 H 0.569 4.018 -7.579 . . . 1.0 . . . . . . . . . . . . A . 23 TRP HH2 . . . . . . . . . rr_1sso 1 . 1 . 404 . 1 1 23 TRP HZ2 H -0.138 2.452 -9.368 . . . 1.0 . . . . . . . . . . . . A . 23 TRP HZ2 . . . . . . . . . rr_1sso 1 . 1 . 405 . 1 1 23 TRP HZ3 H -1.090 4.844 -5.930 . . . 1.0 . . . . . . . . . . . . A . 23 TRP HZ3 . . . . . . . . . rr_1sso 1 . 1 . 406 . 1 1 23 TRP N N -4.796 2.089 -5.191 . . . 1.0 . . . . . . . . . . . . A . 23 TRP N . . . . . . . . . rr_1sso 1 . 1 . 407 . 1 1 23 TRP NE1 N -2.887 1.568 -9.564 . . . 1.0 . . . . . . . . . . . . A . 23 TRP NE1 . . . . . . . . . rr_1sso 1 . 1 . 408 . 1 1 23 TRP O O -4.466 -0.251 -6.897 . . . 1.0 . . . . . . . . . . . . A . 23 TRP O . . . . . . . . . rr_1sso 1 . 1 . 409 . 1 1 24 ARG C C -6.491 -2.443 -8.035 . . . 1.0 . . . . . . . . . . . . A . 24 ARG C . . . . . . . . . rr_1sso 1 . 1 . 410 . 1 1 24 ARG CA C -6.327 -2.181 -6.533 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CA . . . . . . . . . rr_1sso 1 . 1 . 411 . 1 1 24 ARG CB C -7.343 -3.011 -5.732 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CB . . . . . . . . . rr_1sso 1 . 1 . 412 . 1 1 24 ARG CD C -9.786 -3.366 -5.235 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CD . . . . . . . . . rr_1sso 1 . 1 . 413 . 1 1 24 ARG CG C -8.774 -2.674 -6.168 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CG . . . . . . . . . rr_1sso 1 . 1 . 414 . 1 1 24 ARG CZ C -11.325 -3.640 -7.132 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CZ . . . . . . . . . rr_1sso 1 . 1 . 415 . 1 1 24 ARG H H -7.370 -0.422 -5.906 . . . 1.0 . . . . . . . . . . . . A . 24 ARG H . . . . . . . . . rr_1sso 1 . 1 . 416 . 1 1 24 ARG HA H -5.336 -2.452 -6.233 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HA . . . . . . . . . rr_1sso 1 . 1 . 417 . 1 1 24 ARG HB2 H -7.156 -4.062 -5.900 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HB2 . . . . . . . . . rr_1sso 1 . 1 . 418 . 1 1 24 ARG HB3 H -7.231 -2.793 -4.680 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HB3 . . . . . . . . . rr_1sso 1 . 1 . 419 . 1 1 24 ARG HD2 H -9.263 -4.057 -4.591 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HD2 . . . . . . . . . rr_1sso 1 . 1 . 420 . 1 1 24 ARG HD3 H -10.275 -2.617 -4.626 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HD3 . . . . . . . . . rr_1sso 1 . 1 . 421 . 1 1 24 ARG HE H -11.107 -5.010 -5.709 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HE . . . . . . . . . rr_1sso 1 . 1 . 422 . 1 1 24 ARG HG2 H -8.922 -1.605 -6.127 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HG2 . . . . . . . . . rr_1sso 1 . 1 . 423 . 1 1 24 ARG HG3 H -8.928 -3.019 -7.179 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HG3 . . . . . . . . . rr_1sso 1 . 1 . 424 . 1 1 24 ARG HH11 H -12.547 -2.365 -6.189 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HH11 . . . . . . . . . rr_1sso 1 . 1 . 425 . 1 1 24 ARG HH12 H -12.622 -2.336 -7.920 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HH12 . . . . . . . . . rr_1sso 1 . 1 . 426 . 1 1 24 ARG HH21 H -10.215 -4.796 -8.333 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HH21 . . . . . . . . . rr_1sso 1 . 1 . 427 . 1 1 24 ARG HH22 H -11.302 -3.710 -9.132 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HH22 . . . . . . . . . rr_1sso 1 . 1 . 428 . 1 1 24 ARG N N -6.521 -0.736 -6.255 . . . 1.0 . . . . . . . . . . . . A . 24 ARG N . . . . . . . . . rr_1sso 1 . 1 . 429 . 1 1 24 ARG NE N -10.814 -4.130 -6.026 . . . 1.0 . . . . . . . . . . . . A . 24 ARG NE . . . . . . . . . rr_1sso 1 . 1 . 430 . 1 1 24 ARG NH1 N -12.236 -2.708 -7.075 . . . 1.0 . . . . . . . . . . . . A . 24 ARG NH1 . . . . . . . . . rr_1sso 1 . 1 . 431 . 1 1 24 ARG NH2 N -10.916 -4.084 -8.289 . . . 1.0 . . . . . . . . . . . . A . 24 ARG NH2 . . . . . . . . . rr_1sso 1 . 1 . 432 . 1 1 24 ARG O O -7.499 -2.105 -8.626 . . . 1.0 . . . . . . . . . . . . A . 24 ARG O . . . . . . . . . rr_1sso 1 . 1 . 433 . 1 1 25 VAL C C -5.849 -4.818 -10.324 . . . 1.0 . . . . . . . . . . . . A . 25 VAL C . . . . . . . . . rr_1sso 1 . 1 . 434 . 1 1 25 VAL CA C -5.594 -3.324 -10.115 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CA . . . . . . . . . rr_1sso 1 . 1 . 435 . 1 1 25 VAL CB C -4.282 -2.927 -10.793 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CB . . . . . . . . . rr_1sso 1 . 1 . 436 . 1 1 25 VAL CG1 C -4.412 -3.103 -12.307 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CG1 . . . . . . . . . rr_1sso 1 . 1 . 437 . 1 1 25 VAL CG2 C -3.970 -1.461 -10.478 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CG2 . . . . . . . . . rr_1sso 1 . 1 . 438 . 1 1 25 VAL H H -4.701 -3.299 -8.155 . . . 1.0 . . . . . . . . . . . . A . 25 VAL H . . . . . . . . . rr_1sso 1 . 1 . 439 . 1 1 25 VAL HA H -6.408 -2.757 -10.543 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HA . . . . . . . . . rr_1sso 1 . 1 . 440 . 1 1 25 VAL HB H -3.483 -3.554 -10.425 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HB . . . . . . . . . rr_1sso 1 . 1 . 441 . 1 1 25 VAL HG11 H -5.017 -3.973 -12.518 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG11 . . . . . . . . . rr_1sso 1 . 1 . 442 . 1 1 25 VAL HG12 H -4.879 -2.228 -12.733 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG12 . . . . . . . . . rr_1sso 1 . 1 . 443 . 1 1 25 VAL HG13 H -3.431 -3.234 -12.739 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG13 . . . . . . . . . rr_1sso 1 . 1 . 444 . 1 1 25 VAL HG21 H -4.837 -0.854 -10.693 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG21 . . . . . . . . . rr_1sso 1 . 1 . 445 . 1 1 25 VAL HG22 H -3.713 -1.364 -9.433 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG22 . . . . . . . . . rr_1sso 1 . 1 . 446 . 1 1 25 VAL HG23 H -3.139 -1.132 -11.084 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG23 . . . . . . . . . rr_1sso 1 . 1 . 447 . 1 1 25 VAL N N -5.504 -3.039 -8.654 . . . 1.0 . . . . . . . . . . . . A . 25 VAL N . . . . . . . . . rr_1sso 1 . 1 . 448 . 1 1 25 VAL O O -5.051 -5.652 -9.939 . . . 1.0 . . . . . . . . . . . . A . 25 VAL O . . . . . . . . . rr_1sso 1 . 1 . 449 . 1 1 26 GLY C C -7.490 -7.303 -9.835 . . . 1.0 . . . . . . . . . . . . A . 26 GLY C . . . . . . . . . rr_1sso 1 . 1 . 450 . 1 1 26 GLY CA C -7.276 -6.595 -11.173 . . . 1.0 . . . . . . . . . . . . A . 26 GLY CA . . . . . . . . . rr_1sso 1 . 1 . 451 . 1 1 26 GLY H H -7.582 -4.464 -11.231 . . . 1.0 . . . . . . . . . . . . A . 26 GLY H . . . . . . . . . rr_1sso 1 . 1 . 452 . 1 1 26 GLY HA2 H -8.175 -6.669 -11.768 . . . 1.0 . . . . . . . . . . . . A . 26 GLY HA2 . . . . . . . . . rr_1sso 1 . 1 . 453 . 1 1 26 GLY HA3 H -6.457 -7.063 -11.697 . . . 1.0 . . . . . . . . . . . . A . 26 GLY HA3 . . . . . . . . . rr_1sso 1 . 1 . 454 . 1 1 26 GLY N N -6.957 -5.158 -10.932 . . . 1.0 . . . . . . . . . . . . A . 26 GLY N . . . . . . . . . rr_1sso 1 . 1 . 455 . 1 1 26 GLY O O -8.539 -7.194 -9.227 . . . 1.0 . . . . . . . . . . . . A . 26 GLY O . . . . . . . . . rr_1sso 1 . 1 . 456 . 1 1 27 LYS C C -5.603 -8.235 -7.080 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . rr_1sso 1 . 1 . 457 . 1 1 27 LYS CA C -6.644 -8.754 -8.075 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 458 . 1 1 27 LYS CB C -6.434 -10.253 -8.300 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 459 . 1 1 27 LYS CD C -7.729 -12.388 -8.154 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 460 . 1 1 27 LYS CE C -7.258 -13.254 -9.326 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 461 . 1 1 27 LYS CG C -7.781 -10.919 -8.585 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 462 . 1 1 27 LYS H H -5.672 -8.104 -9.885 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . rr_1sso 1 . 1 . 463 . 1 1 27 LYS HA H -7.634 -8.587 -7.677 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 464 . 1 1 27 LYS HB2 H -5.772 -10.401 -9.141 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 465 . 1 1 27 LYS HB3 H -5.997 -10.692 -7.416 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 466 . 1 1 27 LYS HD2 H -7.040 -12.495 -7.328 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 467 . 1 1 27 LYS HD3 H -8.713 -12.707 -7.845 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 468 . 1 1 27 LYS HE2 H -7.373 -12.708 -10.251 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 469 . 1 1 27 LYS HE3 H -6.219 -13.514 -9.188 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 470 . 1 1 27 LYS HG2 H -8.558 -10.409 -8.033 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 471 . 1 1 27 LYS HG3 H -7.994 -10.864 -9.641 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 472 . 1 1 27 LYS HZ1 H -8.179 -14.888 -8.423 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 473 . 1 1 27 LYS HZ2 H -9.015 -14.280 -9.772 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 474 . 1 1 27 LYS HZ3 H -7.605 -15.196 -9.992 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 475 . 1 1 27 LYS N N -6.504 -8.031 -9.374 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . rr_1sso 1 . 1 . 476 . 1 1 27 LYS NZ N -8.076 -14.499 -9.383 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 477 . 1 1 27 LYS O O -5.870 -8.116 -5.900 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . rr_1sso 1 . 1 . 478 . 1 1 28 MET C C -3.696 -5.992 -6.195 . . . 1.0 . . . . . . . . . . . . A . 28 MET C . . . . . . . . . rr_1sso 1 . 1 . 479 . 1 1 28 MET CA C -3.356 -7.420 -6.633 . . . 1.0 . . . . . . . . . . . . A . 28 MET CA . . . . . . . . . rr_1sso 1 . 1 . 480 . 1 1 28 MET CB C -2.008 -7.427 -7.359 . . . 1.0 . . . . . . . . . . . . A . 28 MET CB . . . . . . . . . rr_1sso 1 . 1 . 481 . 1 1 28 MET CE C 1.207 -8.161 -6.397 . . . 1.0 . . . . . . . . . . . . A . 28 MET CE . . . . . . . . . rr_1sso 1 . 1 . 482 . 1 1 28 MET CG C -1.325 -8.782 -7.159 . . . 1.0 . . . . . . . . . . . . A . 28 MET CG . . . . . . . . . rr_1sso 1 . 1 . 483 . 1 1 28 MET H H -4.229 -8.037 -8.504 . . . 1.0 . . . . . . . . . . . . A . 28 MET H . . . . . . . . . rr_1sso 1 . 1 . 484 . 1 1 28 MET HA H -3.297 -8.057 -5.762 . . . 1.0 . . . . . . . . . . . . A . 28 MET HA . . . . . . . . . rr_1sso 1 . 1 . 485 . 1 1 28 MET HB2 H -2.167 -7.255 -8.413 . . . 1.0 . . . . . . . . . . . . A . 28 MET HB2 . . . . . . . . . rr_1sso 1 . 1 . 486 . 1 1 28 MET HB3 H -1.379 -6.647 -6.957 . . . 1.0 . . . . . . . . . . . . A . 28 MET HB3 . . . . . . . . . rr_1sso 1 . 1 . 487 . 1 1 28 MET HE1 H 0.820 -8.677 -5.529 . . . 1.0 . . . . . . . . . . . . A . 28 MET HE1 . . . . . . . . . rr_1sso 1 . 1 . 488 . 1 1 28 MET HE2 H 2.261 -8.367 -6.495 . . . 1.0 . . . . . . . . . . . . A . 28 MET HE2 . . . . . . . . . rr_1sso 1 . 1 . 489 . 1 1 28 MET HE3 H 1.060 -7.095 -6.284 . . . 1.0 . . . . . . . . . . . . A . 28 MET HE3 . . . . . . . . . rr_1sso 1 . 1 . 490 . 1 1 28 MET HG2 H -1.255 -8.998 -6.103 . . . 1.0 . . . . . . . . . . . . A . 28 MET HG2 . . . . . . . . . rr_1sso 1 . 1 . 491 . 1 1 28 MET HG3 H -1.905 -9.552 -7.646 . . . 1.0 . . . . . . . . . . . . A . 28 MET HG3 . . . . . . . . . rr_1sso 1 . 1 . 492 . 1 1 28 MET N N -4.419 -7.930 -7.548 . . . 1.0 . . . . . . . . . . . . A . 28 MET N . . . . . . . . . rr_1sso 1 . 1 . 493 . 1 1 28 MET O O -4.736 -5.460 -6.534 . . . 1.0 . . . . . . . . . . . . A . 28 MET O . . . . . . . . . rr_1sso 1 . 1 . 494 . 1 1 28 MET SD S 0.337 -8.734 -7.876 . . . 1.0 . . . . . . . . . . . . A . 28 MET SD . . . . . . . . . rr_1sso 1 . 1 . 495 . 1 1 29 ILE C C -1.778 -3.168 -5.075 . . . 1.0 . . . . . . . . . . . . A . 29 ILE C . . . . . . . . . rr_1sso 1 . 1 . 496 . 1 1 29 ILE CA C -3.076 -3.981 -4.969 . . . 1.0 . . . . . . . . . . . . A . 29 ILE CA . . . . . . . . . rr_1sso 1 . 1 . 497 . 1 1 29 ILE CB C -3.560 -4.024 -3.509 . . . 1.0 . . . . . . . . . . . . A . 29 ILE CB . . . . . . . . . rr_1sso 1 . 1 . 498 . 1 1 29 ILE CD1 C -5.300 -4.972 -1.984 . . . 1.0 . . . . . . . . . . . . A . 29 ILE CD1 . . . . . . . . . rr_1sso 1 . 1 . 499 . 1 1 29 ILE CG1 C -4.907 -4.750 -3.446 . . . 1.0 . . . . . . . . . . . . A . 29 ILE CG1 . . . . . . . . . rr_1sso 1 . 1 . 500 . 1 1 29 ILE CG2 C -3.733 -2.603 -2.958 . . . 1.0 . . . . . . . . . . . . A . 29 ILE CG2 . . . . . . . . . rr_1sso 1 . 1 . 501 . 1 1 29 ILE H H -1.996 -5.830 -5.188 . . . 1.0 . . . . . . . . . . . . A . 29 ILE H . . . . . . . . . rr_1sso 1 . 1 . 502 . 1 1 29 ILE HA H -3.834 -3.526 -5.587 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HA . . . . . . . . . rr_1sso 1 . 1 . 503 . 1 1 29 ILE HB H -2.837 -4.556 -2.908 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HB . . . . . . . . . rr_1sso 1 . 1 . 504 . 1 1 29 ILE HD11 H -4.410 -5.109 -1.388 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HD11 . . . . . . . . . rr_1sso 1 . 1 . 505 . 1 1 29 ILE HD12 H -5.847 -4.113 -1.623 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HD12 . . . . . . . . . rr_1sso 1 . 1 . 506 . 1 1 29 ILE HD13 H -5.922 -5.852 -1.908 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HD13 . . . . . . . . . rr_1sso 1 . 1 . 507 . 1 1 29 ILE HG12 H -5.661 -4.150 -3.935 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HG12 . . . . . . . . . rr_1sso 1 . 1 . 508 . 1 1 29 ILE HG13 H -4.826 -5.704 -3.944 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HG13 . . . . . . . . . rr_1sso 1 . 1 . 509 . 1 1 29 ILE HG21 H -4.181 -1.976 -3.715 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HG21 . . . . . . . . . rr_1sso 1 . 1 . 510 . 1 1 29 ILE HG22 H -4.372 -2.631 -2.087 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HG22 . . . . . . . . . rr_1sso 1 . 1 . 511 . 1 1 29 ILE HG23 H -2.767 -2.204 -2.684 . . . 1.0 . . . . . . . . . . . . A . 29 ILE HG23 . . . . . . . . . rr_1sso 1 . 1 . 512 . 1 1 29 ILE N N -2.822 -5.374 -5.443 . . . 1.0 . . . . . . . . . . . . A . 29 ILE N . . . . . . . . . rr_1sso 1 . 1 . 513 . 1 1 29 ILE O O -0.707 -3.650 -4.757 . . . 1.0 . . . . . . . . . . . . A . 29 ILE O . . . . . . . . . rr_1sso 1 . 1 . 514 . 1 1 30 SER C C -0.898 0.266 -4.969 . . . 1.0 . . . . . . . . . . . . A . 30 SER C . . . . . . . . . rr_1sso 1 . 1 . 515 . 1 1 30 SER CA C -0.654 -1.085 -5.644 . . . 1.0 . . . . . . . . . . . . A . 30 SER CA . . . . . . . . . rr_1sso 1 . 1 . 516 . 1 1 30 SER CB C -0.338 -0.861 -7.123 . . . 1.0 . . . . . . . . . . . . A . 30 SER CB . . . . . . . . . rr_1sso 1 . 1 . 517 . 1 1 30 SER H H -2.751 -1.573 -5.765 . . . 1.0 . . . . . . . . . . . . A . 30 SER H . . . . . . . . . rr_1sso 1 . 1 . 518 . 1 1 30 SER HA H 0.181 -1.579 -5.169 . . . 1.0 . . . . . . . . . . . . A . 30 SER HA . . . . . . . . . rr_1sso 1 . 1 . 519 . 1 1 30 SER HB2 H -1.192 -0.424 -7.613 . . . 1.0 . . . . . . . . . . . . A . 30 SER HB2 . . . . . . . . . rr_1sso 1 . 1 . 520 . 1 1 30 SER HB3 H 0.507 -0.191 -7.211 . . . 1.0 . . . . . . . . . . . . A . 30 SER HB3 . . . . . . . . . rr_1sso 1 . 1 . 521 . 1 1 30 SER HG H 0.104 -1.953 -8.671 . . . 1.0 . . . . . . . . . . . . A . 30 SER HG . . . . . . . . . rr_1sso 1 . 1 . 522 . 1 1 30 SER N N -1.874 -1.937 -5.517 . . . 1.0 . . . . . . . . . . . . A . 30 SER N . . . . . . . . . rr_1sso 1 . 1 . 523 . 1 1 30 SER O O -2.011 0.599 -4.610 . . . 1.0 . . . . . . . . . . . . A . 30 SER O . . . . . . . . . rr_1sso 1 . 1 . 524 . 1 1 30 SER OG O -0.037 -2.108 -7.734 . . . 1.0 . . . . . . . . . . . . A . 30 SER OG . . . . . . . . . rr_1sso 1 . 1 . 525 . 1 1 31 PHE C C 1.270 3.195 -4.339 . . . 1.0 . . . . . . . . . . . . A . 31 PHE C . . . . . . . . . rr_1sso 1 . 1 . 526 . 1 1 31 PHE CA C -0.016 2.387 -4.154 . . . 1.0 . . . . . . . . . . . . A . 31 PHE CA . . . . . . . . . rr_1sso 1 . 1 . 527 . 1 1 31 PHE CB C -0.318 2.245 -2.647 . . . 1.0 . . . . . . . . . . . . A . 31 PHE CB . . . . . . . . . rr_1sso 1 . 1 . 528 . 1 1 31 PHE CD1 C 1.727 0.786 -2.301 . . . 1.0 . . . . . . . . . . . . A . 31 PHE CD1 . . . . . . . . . rr_1sso 1 . 1 . 529 . 1 1 31 PHE CD2 C -0.363 0.145 -1.250 . . . 1.0 . . . . . . . . . . . . A . 31 PHE CD2 . . . . . . . . . rr_1sso 1 . 1 . 530 . 1 1 31 PHE CE1 C 2.349 -0.341 -1.748 . . . 1.0 . . . . . . . . . . . . A . 31 PHE CE1 . . . . . . . . . rr_1sso 1 . 1 . 531 . 1 1 31 PHE CE2 C 0.260 -0.979 -0.697 . . . 1.0 . . . . . . . . . . . . A . 31 PHE CE2 . . . . . . . . . rr_1sso 1 . 1 . 532 . 1 1 31 PHE CG C 0.369 1.029 -2.052 . . . 1.0 . . . . . . . . . . . . A . 31 PHE CG . . . . . . . . . rr_1sso 1 . 1 . 533 . 1 1 31 PHE CZ C 1.615 -1.222 -0.947 . . . 1.0 . . . . . . . . . . . . A . 31 PHE CZ . . . . . . . . . rr_1sso 1 . 1 . 534 . 1 1 31 PHE H H 1.023 0.752 -5.104 . . . 1.0 . . . . . . . . . . . . A . 31 PHE H . . . . . . . . . rr_1sso 1 . 1 . 535 . 1 1 31 PHE HA H -0.831 2.912 -4.629 . . . 1.0 . . . . . . . . . . . . A . 31 PHE HA . . . . . . . . . rr_1sso 1 . 1 . 536 . 1 1 31 PHE HB2 H 0.026 3.129 -2.132 . . . 1.0 . . . . . . . . . . . . A . 31 PHE HB2 . . . . . . . . . rr_1sso 1 . 1 . 537 . 1 1 31 PHE HB3 H -1.386 2.151 -2.509 . . . 1.0 . . . . . . . . . . . . A . 31 PHE HB3 . . . . . . . . . rr_1sso 1 . 1 . 538 . 1 1 31 PHE HD1 H 2.296 1.463 -2.917 . . . 1.0 . . . . . . . . . . . . A . 31 PHE HD1 . . . . . . . . . rr_1sso 1 . 1 . 539 . 1 1 31 PHE HD2 H -1.409 0.332 -1.057 . . . 1.0 . . . . . . . . . . . . A . 31 PHE HD2 . . . . . . . . . rr_1sso 1 . 1 . 540 . 1 1 31 PHE HE1 H 3.395 -0.528 -1.939 . . . 1.0 . . . . . . . . . . . . A . 31 PHE HE1 . . . . . . . . . rr_1sso 1 . 1 . 541 . 1 1 31 PHE HE2 H -0.306 -1.660 -0.078 . . . 1.0 . . . . . . . . . . . . A . 31 PHE HE2 . . . . . . . . . rr_1sso 1 . 1 . 542 . 1 1 31 PHE HZ H 2.094 -2.092 -0.523 . . . 1.0 . . . . . . . . . . . . A . 31 PHE HZ . . . . . . . . . rr_1sso 1 . 1 . 543 . 1 1 31 PHE N N 0.139 1.047 -4.801 . . . 1.0 . . . . . . . . . . . . A . 31 PHE N . . . . . . . . . rr_1sso 1 . 1 . 544 . 1 1 31 PHE O O 2.199 2.757 -4.992 . . . 1.0 . . . . . . . . . . . . A . 31 PHE O . . . . . . . . . rr_1sso 1 . 1 . 545 . 1 1 32 THR C C 2.898 5.774 -2.511 . . . 1.0 . . . . . . . . . . . . A . 32 THR C . . . . . . . . . rr_1sso 1 . 1 . 546 . 1 1 32 THR CA C 2.539 5.212 -3.887 . . . 1.0 . . . . . . . . . . . . A . 32 THR CA . . . . . . . . . rr_1sso 1 . 1 . 547 . 1 1 32 THR CB C 2.273 6.369 -4.858 . . . 1.0 . . . . . . . . . . . . A . 32 THR CB . . . . . . . . . rr_1sso 1 . 1 . 548 . 1 1 32 THR CG2 C 1.698 5.828 -6.168 . . . 1.0 . . . . . . . . . . . . A . 32 THR CG2 . . . . . . . . . rr_1sso 1 . 1 . 549 . 1 1 32 THR H H 0.575 4.689 -3.245 . . . 1.0 . . . . . . . . . . . . A . 32 THR H . . . . . . . . . rr_1sso 1 . 1 . 550 . 1 1 32 THR HA H 3.345 4.611 -4.251 . . . 1.0 . . . . . . . . . . . . A . 32 THR HA . . . . . . . . . rr_1sso 1 . 1 . 551 . 1 1 32 THR HB H 3.198 6.885 -5.063 . . . 1.0 . . . . . . . . . . . . A . 32 THR HB . . . . . . . . . rr_1sso 1 . 1 . 552 . 1 1 32 THR HG1 H 1.350 8.079 -4.792 . . . 1.0 . . . . . . . . . . . . A . 32 THR HG1 . . . . . . . . . rr_1sso 1 . 1 . 553 . 1 1 32 THR HG21 H 0.915 5.116 -5.951 . . . 1.0 . . . . . . . . . . . . A . 32 THR HG21 . . . . . . . . . rr_1sso 1 . 1 . 554 . 1 1 32 THR HG22 H 1.292 6.645 -6.747 . . . 1.0 . . . . . . . . . . . . A . 32 THR HG22 . . . . . . . . . rr_1sso 1 . 1 . 555 . 1 1 32 THR HG23 H 2.480 5.342 -6.732 . . . 1.0 . . . . . . . . . . . . A . 32 THR HG23 . . . . . . . . . rr_1sso 1 . 1 . 556 . 1 1 32 THR N N 1.327 4.367 -3.763 . . . 1.0 . . . . . . . . . . . . A . 32 THR N . . . . . . . . . rr_1sso 1 . 1 . 557 . 1 1 32 THR O O 2.200 6.616 -1.979 . . . 1.0 . . . . . . . . . . . . A . 32 THR O . . . . . . . . . rr_1sso 1 . 1 . 558 . 1 1 32 THR OG1 O 1.348 7.273 -4.271 . . . 1.0 . . . . . . . . . . . . A . 32 THR OG1 . . . . . . . . . rr_1sso 1 . 1 . 559 . 1 1 33 TYR C C 5.633 6.684 -0.718 . . . 1.0 . . . . . . . . . . . . A . 33 TYR C . . . . . . . . . rr_1sso 1 . 1 . 560 . 1 1 33 TYR CA C 4.376 5.822 -0.584 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CA . . . . . . . . . rr_1sso 1 . 1 . 561 . 1 1 33 TYR CB C 4.654 4.643 0.353 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CB . . . . . . . . . rr_1sso 1 . 1 . 562 . 1 1 33 TYR CD1 C 7.027 4.025 -0.237 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CD1 . . . . . . . . . rr_1sso 1 . 1 . 563 . 1 1 33 TYR CD2 C 5.234 2.535 -0.904 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CD2 . . . . . . . . . rr_1sso 1 . 1 . 564 . 1 1 33 TYR CE1 C 7.962 3.161 -0.820 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CE1 . . . . . . . . . rr_1sso 1 . 1 . 565 . 1 1 33 TYR CE2 C 6.169 1.671 -1.488 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CE2 . . . . . . . . . rr_1sso 1 . 1 . 566 . 1 1 33 TYR CG C 5.663 3.712 -0.279 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CG . . . . . . . . . rr_1sso 1 . 1 . 567 . 1 1 33 TYR CZ C 7.533 1.984 -1.446 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CZ . . . . . . . . . rr_1sso 1 . 1 . 568 . 1 1 33 TYR H H 4.521 4.633 -2.376 . . . 1.0 . . . . . . . . . . . . A . 33 TYR H . . . . . . . . . rr_1sso 1 . 1 . 569 . 1 1 33 TYR HA H 3.573 6.421 -0.177 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HA . . . . . . . . . rr_1sso 1 . 1 . 570 . 1 1 33 TYR HB2 H 5.045 5.013 1.289 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HB2 . . . . . . . . . rr_1sso 1 . 1 . 571 . 1 1 33 TYR HB3 H 3.736 4.105 0.536 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HB3 . . . . . . . . . rr_1sso 1 . 1 . 572 . 1 1 33 TYR HD1 H 7.358 4.933 0.246 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HD1 . . . . . . . . . rr_1sso 1 . 1 . 573 . 1 1 33 TYR HD2 H 4.182 2.294 -0.937 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HD2 . . . . . . . . . rr_1sso 1 . 1 . 574 . 1 1 33 TYR HE1 H 9.014 3.403 -0.787 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HE1 . . . . . . . . . rr_1sso 1 . 1 . 575 . 1 1 33 TYR HE2 H 5.838 0.764 -1.970 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HE2 . . . . . . . . . rr_1sso 1 . 1 . 576 . 1 1 33 TYR HH H 8.740 1.521 -2.851 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HH . . . . . . . . . rr_1sso 1 . 1 . 577 . 1 1 33 TYR N N 3.976 5.314 -1.929 . . . 1.0 . . . . . . . . . . . . A . 33 TYR N . . . . . . . . . rr_1sso 1 . 1 . 578 . 1 1 33 TYR O O 6.511 6.395 -1.508 . . . 1.0 . . . . . . . . . . . . A . 33 TYR O . . . . . . . . . rr_1sso 1 . 1 . 579 . 1 1 33 TYR OH O 8.455 1.133 -2.020 . . . 1.0 . . . . . . . . . . . . A . 33 TYR OH . . . . . . . . . rr_1sso 1 . 1 . 580 . 1 1 34 ASP C C 8.074 8.008 0.747 . . . 1.0 . . . . . . . . . . . . A . 34 ASP C . . . . . . . . . rr_1sso 1 . 1 . 581 . 1 1 34 ASP CA C 6.914 8.634 -0.031 . . . 1.0 . . . . . . . . . . . . A . 34 ASP CA . . . . . . . . . rr_1sso 1 . 1 . 582 . 1 1 34 ASP CB C 6.572 9.999 0.572 . . . 1.0 . . . . . . . . . . . . A . 34 ASP CB . . . . . . . . . rr_1sso 1 . 1 . 583 . 1 1 34 ASP CG C 7.320 11.096 -0.188 . . . 1.0 . . . . . . . . . . . . A . 34 ASP CG . . . . . . . . . rr_1sso 1 . 1 . 584 . 1 1 34 ASP H H 4.994 7.954 0.672 . . . 1.0 . . . . . . . . . . . . A . 34 ASP H . . . . . . . . . rr_1sso 1 . 1 . 585 . 1 1 34 ASP HA H 7.202 8.760 -1.064 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HA . . . . . . . . . rr_1sso 1 . 1 . 586 . 1 1 34 ASP HB2 H 5.508 10.169 0.496 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HB2 . . . . . . . . . rr_1sso 1 . 1 . 587 . 1 1 34 ASP HB3 H 6.867 10.018 1.611 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HB3 . . . . . . . . . rr_1sso 1 . 1 . 588 . 1 1 34 ASP N N 5.719 7.743 0.047 . . . 1.0 . . . . . . . . . . . . A . 34 ASP N . . . . . . . . . rr_1sso 1 . 1 . 589 . 1 1 34 ASP O O 8.039 7.912 1.960 . . . 1.0 . . . . . . . . . . . . A . 34 ASP O . . . . . . . . . rr_1sso 1 . 1 . 590 . 1 1 34 ASP OD1 O 8.540 11.078 -0.168 . . . 1.0 . . . . . . . . . . . . A . 34 ASP OD1 . . . . . . . . . rr_1sso 1 . 1 . 591 . 1 1 34 ASP OD2 O 6.660 11.937 -0.776 . . . 1.0 . . . . . . . . . . . . A . 34 ASP OD2 . . . . . . . . . rr_1sso 1 . 1 . 592 . 1 1 35 GLU C C 10.935 7.996 1.651 . . . 1.0 . . . . . . . . . . . . A . 35 GLU C . . . . . . . . . rr_1sso 1 . 1 . 593 . 1 1 35 GLU CA C 10.270 6.961 0.741 . . . 1.0 . . . . . . . . . . . . A . 35 GLU CA . . . . . . . . . rr_1sso 1 . 1 . 594 . 1 1 35 GLU CB C 11.278 6.483 -0.307 . . . 1.0 . . . . . . . . . . . . A . 35 GLU CB . . . . . . . . . rr_1sso 1 . 1 . 595 . 1 1 35 GLU CD C 12.926 4.701 -0.892 . . . 1.0 . . . . . . . . . . . . A . 35 GLU CD . . . . . . . . . rr_1sso 1 . 1 . 596 . 1 1 35 GLU CG C 11.961 5.205 0.183 . . . 1.0 . . . . . . . . . . . . A . 35 GLU CG . . . . . . . . . rr_1sso 1 . 1 . 597 . 1 1 35 GLU H H 9.101 7.674 -0.921 . . . 1.0 . . . . . . . . . . . . A . 35 GLU H . . . . . . . . . rr_1sso 1 . 1 . 598 . 1 1 35 GLU HA H 9.938 6.121 1.332 . . . 1.0 . . . . . . . . . . . . A . 35 GLU HA . . . . . . . . . rr_1sso 1 . 1 . 599 . 1 1 35 GLU HB2 H 10.762 6.283 -1.235 . . . 1.0 . . . . . . . . . . . . A . 35 GLU HB2 . . . . . . . . . rr_1sso 1 . 1 . 600 . 1 1 35 GLU HB3 H 12.022 7.248 -0.468 . . . 1.0 . . . . . . . . . . . . A . 35 GLU HB3 . . . . . . . . . rr_1sso 1 . 1 . 601 . 1 1 35 GLU HG2 H 12.509 5.415 1.090 . . . 1.0 . . . . . . . . . . . . A . 35 GLU HG2 . . . . . . . . . rr_1sso 1 . 1 . 602 . 1 1 35 GLU HG3 H 11.216 4.449 0.377 . . . 1.0 . . . . . . . . . . . . A . 35 GLU HG3 . . . . . . . . . rr_1sso 1 . 1 . 603 . 1 1 35 GLU N N 9.100 7.583 0.055 . . . 1.0 . . . . . . . . . . . . A . 35 GLU N . . . . . . . . . rr_1sso 1 . 1 . 604 . 1 1 35 GLU O O 11.195 7.738 2.812 . . . 1.0 . . . . . . . . . . . . A . 35 GLU O . . . . . . . . . rr_1sso 1 . 1 . 605 . 1 1 35 GLU OE1 O 12.590 4.810 -2.060 . . . 1.0 . . . . . . . . . . . . A . 35 GLU OE1 . . . . . . . . . rr_1sso 1 . 1 . 606 . 1 1 35 GLU OE2 O 13.985 4.215 -0.529 . . . 1.0 . . . . . . . . . . . . A . 35 GLU OE2 . . . . . . . . . rr_1sso 1 . 1 . 607 . 1 1 36 GLY C C 13.113 10.730 1.234 . . . 1.0 . . . . . . . . . . . . A . 36 GLY C . . . . . . . . . rr_1sso 1 . 1 . 608 . 1 1 36 GLY CA C 11.861 10.225 1.952 . . . 1.0 . . . . . . . . . . . . A . 36 GLY CA . . . . . . . . . rr_1sso 1 . 1 . 609 . 1 1 36 GLY H H 10.991 9.341 0.190 . . . 1.0 . . . . . . . . . . . . A . 36 GLY H . . . . . . . . . rr_1sso 1 . 1 . 610 . 1 1 36 GLY HA2 H 11.170 11.043 2.093 . . . 1.0 . . . . . . . . . . . . A . 36 GLY HA2 . . . . . . . . . rr_1sso 1 . 1 . 611 . 1 1 36 GLY HA3 H 12.140 9.817 2.911 . . . 1.0 . . . . . . . . . . . . A . 36 GLY HA3 . . . . . . . . . rr_1sso 1 . 1 . 612 . 1 1 36 GLY N N 11.212 9.163 1.128 . . . 1.0 . . . . . . . . . . . . A . 36 GLY N . . . . . . . . . rr_1sso 1 . 1 . 613 . 1 1 36 GLY O O 14.170 10.853 1.824 . . . 1.0 . . . . . . . . . . . . A . 36 GLY O . . . . . . . . . rr_1sso 1 . 1 . 614 . 1 1 37 GLY C C 13.710 12.514 -1.871 . . . 1.0 . . . . . . . . . . . . A . 37 GLY C . . . . . . . . . rr_1sso 1 . 1 . 615 . 1 1 37 GLY CA C 14.178 11.521 -0.806 . . . 1.0 . . . . . . . . . . . . A . 37 GLY CA . . . . . . . . . rr_1sso 1 . 1 . 616 . 1 1 37 GLY H H 12.136 10.912 -0.487 . . . 1.0 . . . . . . . . . . . . A . 37 GLY H . . . . . . . . . rr_1sso 1 . 1 . 617 . 1 1 37 GLY HA2 H 14.866 12.011 -0.131 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA2 . . . . . . . . . rr_1sso 1 . 1 . 618 . 1 1 37 GLY HA3 H 14.673 10.690 -1.285 . . . 1.0 . . . . . . . . . . . . A . 37 GLY HA3 . . . . . . . . . rr_1sso 1 . 1 . 619 . 1 1 37 GLY N N 13.000 11.022 -0.037 . . . 1.0 . . . . . . . . . . . . A . 37 GLY N . . . . . . . . . rr_1sso 1 . 1 . 620 . 1 1 37 GLY O O 14.220 13.614 -1.973 . . . 1.0 . . . . . . . . . . . . A . 37 GLY O . . . . . . . . . rr_1sso 1 . 1 . 621 . 1 1 38 GLY C C 11.460 12.224 -4.766 . . . 1.0 . . . . . . . . . . . . A . 38 GLY C . . . . . . . . . rr_1sso 1 . 1 . 622 . 1 1 38 GLY CA C 12.231 13.042 -3.730 . . . 1.0 . . . . . . . . . . . . A . 38 GLY CA . . . . . . . . . rr_1sso 1 . 1 . 623 . 1 1 38 GLY H H 12.352 11.239 -2.559 . . . 1.0 . . . . . . . . . . . . A . 38 GLY H . . . . . . . . . rr_1sso 1 . 1 . 624 . 1 1 38 GLY HA2 H 11.576 13.780 -3.289 . . . 1.0 . . . . . . . . . . . . A . 38 GLY HA2 . . . . . . . . . rr_1sso 1 . 1 . 625 . 1 1 38 GLY HA3 H 13.061 13.537 -4.212 . . . 1.0 . . . . . . . . . . . . A . 38 GLY HA3 . . . . . . . . . rr_1sso 1 . 1 . 626 . 1 1 38 GLY N N 12.743 12.131 -2.665 . . . 1.0 . . . . . . . . . . . . A . 38 GLY N . . . . . . . . . rr_1sso 1 . 1 . 627 . 1 1 38 GLY O O 10.470 12.672 -5.313 . . . 1.0 . . . . . . . . . . . . A . 38 GLY O . . . . . . . . . rr_1sso 1 . 1 . 628 . 1 1 39 LYS C C 10.144 9.325 -5.316 . . . 1.0 . . . . . . . . . . . . A . 39 LYS C . . . . . . . . . rr_1sso 1 . 1 . 629 . 1 1 39 LYS CA C 11.209 10.159 -6.029 . . . 1.0 . . . . . . . . . . . . A . 39 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 630 . 1 1 39 LYS CB C 12.220 9.219 -6.688 . . . 1.0 . . . . . . . . . . . . A . 39 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 631 . 1 1 39 LYS CD C 13.769 8.930 -8.623 . . . 1.0 . . . . . . . . . . . . A . 39 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 632 . 1 1 39 LYS CE C 14.986 9.636 -9.223 . . . 1.0 . . . . . . . . . . . . A . 39 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 633 . 1 1 39 LYS CG C 12.923 9.938 -7.841 . . . 1.0 . . . . . . . . . . . . A . 39 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 634 . 1 1 39 LYS H H 12.706 10.688 -4.574 . . . 1.0 . . . . . . . . . . . . A . 39 LYS H . . . . . . . . . rr_1sso 1 . 1 . 635 . 1 1 39 LYS HA H 10.743 10.777 -6.783 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 636 . 1 1 39 LYS HB2 H 12.953 8.911 -5.956 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 637 . 1 1 39 LYS HB3 H 11.706 8.350 -7.069 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 638 . 1 1 39 LYS HD2 H 14.100 8.147 -7.956 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 639 . 1 1 39 LYS HD3 H 13.176 8.501 -9.416 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 640 . 1 1 39 LYS HE2 H 14.694 10.150 -10.127 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 641 . 1 1 39 LYS HE3 H 15.375 10.350 -8.513 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 642 . 1 1 39 LYS HG2 H 12.184 10.376 -8.498 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 643 . 1 1 39 LYS HG3 H 13.562 10.713 -7.448 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 644 . 1 1 39 LYS HZ1 H 16.258 8.077 -8.688 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 645 . 1 1 39 LYS HZ2 H 15.691 7.989 -10.284 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 646 . 1 1 39 LYS HZ3 H 16.894 9.115 -9.872 . . . 1.0 . . . . . . . . . . . . A . 39 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 647 . 1 1 39 LYS N N 11.908 11.024 -5.034 . . . 1.0 . . . . . . . . . . . . A . 39 LYS N . . . . . . . . . rr_1sso 1 . 1 . 648 . 1 1 39 LYS NZ N 16.037 8.628 -9.541 . . . 1.0 . . . . . . . . . . . . A . 39 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 649 . 1 1 39 LYS O O 10.420 8.671 -4.328 . . . 1.0 . . . . . . . . . . . . A . 39 LYS O . . . . . . . . . rr_1sso 1 . 1 . 650 . 1 1 40 THR C C 8.214 7.064 -5.176 . . . 1.0 . . . . . . . . . . . . A . 40 THR C . . . . . . . . . rr_1sso 1 . 1 . 651 . 1 1 40 THR CA C 7.843 8.550 -5.165 . . . 1.0 . . . . . . . . . . . . A . 40 THR CA . . . . . . . . . rr_1sso 1 . 1 . 652 . 1 1 40 THR CB C 6.536 8.757 -5.933 . . . 1.0 . . . . . . . . . . . . A . 40 THR CB . . . . . . . . . rr_1sso 1 . 1 . 653 . 1 1 40 THR CG2 C 5.352 8.394 -5.034 . . . 1.0 . . . . . . . . . . . . A . 40 THR CG2 . . . . . . . . . rr_1sso 1 . 1 . 654 . 1 1 40 THR H H 8.732 9.875 -6.600 . . . 1.0 . . . . . . . . . . . . A . 40 THR H . . . . . . . . . rr_1sso 1 . 1 . 655 . 1 1 40 THR HA H 7.719 8.885 -4.151 . . . 1.0 . . . . . . . . . . . . A . 40 THR HA . . . . . . . . . rr_1sso 1 . 1 . 656 . 1 1 40 THR HB H 6.526 8.123 -6.806 . . . 1.0 . . . . . . . . . . . . A . 40 THR HB . . . . . . . . . rr_1sso 1 . 1 . 657 . 1 1 40 THR HG1 H 6.492 10.152 -7.288 . . . 1.0 . . . . . . . . . . . . A . 40 THR HG1 . . . . . . . . . rr_1sso 1 . 1 . 658 . 1 1 40 THR HG21 H 5.535 7.438 -4.567 . . . 1.0 . . . . . . . . . . . . A . 40 THR HG21 . . . . . . . . . rr_1sso 1 . 1 . 659 . 1 1 40 THR HG22 H 5.234 9.151 -4.272 . . . 1.0 . . . . . . . . . . . . A . 40 THR HG22 . . . . . . . . . rr_1sso 1 . 1 . 660 . 1 1 40 THR HG23 H 4.452 8.339 -5.628 . . . 1.0 . . . . . . . . . . . . A . 40 THR HG23 . . . . . . . . . rr_1sso 1 . 1 . 661 . 1 1 40 THR N N 8.929 9.341 -5.808 . . . 1.0 . . . . . . . . . . . . A . 40 THR N . . . . . . . . . rr_1sso 1 . 1 . 662 . 1 1 40 THR O O 8.575 6.514 -6.199 . . . 1.0 . . . . . . . . . . . . A . 40 THR O . . . . . . . . . rr_1sso 1 . 1 . 663 . 1 1 40 THR OG1 O 6.432 10.117 -6.330 . . . 1.0 . . . . . . . . . . . . A . 40 THR OG1 . . . . . . . . . rr_1sso 1 . 1 . 664 . 1 1 41 GLY C C 7.229 4.118 -4.207 . . . 1.0 . . . . . . . . . . . . A . 41 GLY C . . . . . . . . . rr_1sso 1 . 1 . 665 . 1 1 41 GLY CA C 8.481 4.965 -3.975 . . . 1.0 . . . . . . . . . . . . A . 41 GLY CA . . . . . . . . . rr_1sso 1 . 1 . 666 . 1 1 41 GLY H H 7.841 6.885 -3.234 . . . 1.0 . . . . . . . . . . . . A . 41 GLY H . . . . . . . . . rr_1sso 1 . 1 . 667 . 1 1 41 GLY HA2 H 9.216 4.738 -4.734 . . . 1.0 . . . . . . . . . . . . A . 41 GLY HA2 . . . . . . . . . rr_1sso 1 . 1 . 668 . 1 1 41 GLY HA3 H 8.888 4.740 -3.001 . . . 1.0 . . . . . . . . . . . . A . 41 GLY HA3 . . . . . . . . . rr_1sso 1 . 1 . 669 . 1 1 41 GLY N N 8.131 6.415 -4.043 . . . 1.0 . . . . . . . . . . . . A . 41 GLY N . . . . . . . . . rr_1sso 1 . 1 . 670 . 1 1 41 GLY O O 6.529 3.764 -3.277 . . . 1.0 . . . . . . . . . . . . A . 41 GLY O . . . . . . . . . rr_1sso 1 . 1 . 671 . 1 1 42 ARG C C 5.901 1.585 -5.110 . . . 1.0 . . . . . . . . . . . . A . 42 ARG C . . . . . . . . . rr_1sso 1 . 1 . 672 . 1 1 42 ARG CA C 5.742 2.969 -5.746 . . . 1.0 . . . . . . . . . . . . A . 42 ARG CA . . . . . . . . . rr_1sso 1 . 1 . 673 . 1 1 42 ARG CB C 5.589 2.826 -7.267 . . . 1.0 . . . . . . . . . . . . A . 42 ARG CB . . . . . . . . . rr_1sso 1 . 1 . 674 . 1 1 42 ARG CD C 3.858 3.155 -9.044 . . . 1.0 . . . . . . . . . . . . A . 42 ARG CD . . . . . . . . . rr_1sso 1 . 1 . 675 . 1 1 42 ARG CG C 4.455 3.730 -7.758 . . . 1.0 . . . . . . . . . . . . A . 42 ARG CG . . . . . . . . . rr_1sso 1 . 1 . 676 . 1 1 42 ARG CZ C 4.507 3.053 -11.377 . . . 1.0 . . . . . . . . . . . . A . 42 ARG CZ . . . . . . . . . rr_1sso 1 . 1 . 677 . 1 1 42 ARG H H 7.517 4.090 -6.170 . . . 1.0 . . . . . . . . . . . . A . 42 ARG H . . . . . . . . . rr_1sso 1 . 1 . 678 . 1 1 42 ARG HA H 4.873 3.454 -5.339 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HA . . . . . . . . . rr_1sso 1 . 1 . 679 . 1 1 42 ARG HB2 H 6.512 3.114 -7.749 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HB2 . . . . . . . . . rr_1sso 1 . 1 . 680 . 1 1 42 ARG HB3 H 5.360 1.800 -7.515 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HB3 . . . . . . . . . rr_1sso 1 . 1 . 681 . 1 1 42 ARG HD2 H 3.880 2.077 -9.002 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HD2 . . . . . . . . . rr_1sso 1 . 1 . 682 . 1 1 42 ARG HD3 H 2.835 3.489 -9.147 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HD3 . . . . . . . . . rr_1sso 1 . 1 . 683 . 1 1 42 ARG HE H 5.296 4.357 -10.106 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HE . . . . . . . . . rr_1sso 1 . 1 . 684 . 1 1 42 ARG HG2 H 3.688 3.785 -6.999 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HG2 . . . . . . . . . rr_1sso 1 . 1 . 685 . 1 1 42 ARG HG3 H 4.841 4.719 -7.953 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HG3 . . . . . . . . . rr_1sso 1 . 1 . 686 . 1 1 42 ARG HH11 H 5.622 1.456 -10.913 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HH11 . . . . . . . . . rr_1sso 1 . 1 . 687 . 1 1 42 ARG HH12 H 4.957 1.466 -12.513 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HH12 . . . . . . . . . rr_1sso 1 . 1 . 688 . 1 1 42 ARG HH21 H 3.355 4.516 -12.112 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HH21 . . . . . . . . . rr_1sso 1 . 1 . 689 . 1 1 42 ARG HH22 H 3.673 3.199 -13.192 . . . 1.0 . . . . . . . . . . . . A . 42 ARG HH22 . . . . . . . . . rr_1sso 1 . 1 . 690 . 1 1 42 ARG N N 6.943 3.792 -5.442 . . . 1.0 . . . . . . . . . . . . A . 42 ARG N . . . . . . . . . rr_1sso 1 . 1 . 691 . 1 1 42 ARG NE N 4.657 3.622 -10.213 . . . 1.0 . . . . . . . . . . . . A . 42 ARG NE . . . . . . . . . rr_1sso 1 . 1 . 692 . 1 1 42 ARG NH1 N 5.073 1.902 -11.620 . . . 1.0 . . . . . . . . . . . . A . 42 ARG NH1 . . . . . . . . . rr_1sso 1 . 1 . 693 . 1 1 42 ARG NH2 N 3.789 3.634 -12.299 . . . 1.0 . . . . . . . . . . . . A . 42 ARG NH2 . . . . . . . . . rr_1sso 1 . 1 . 694 . 1 1 42 ARG O O 6.992 1.181 -4.752 . . . 1.0 . . . . . . . . . . . . A . 42 ARG O . . . . . . . . . rr_1sso 1 . 1 . 695 . 1 1 43 GLY C C 3.714 -1.344 -4.818 . . . 1.0 . . . . . . . . . . . . A . 43 GLY C . . . . . . . . . rr_1sso 1 . 1 . 696 . 1 1 43 GLY CA C 4.902 -0.499 -4.356 . . . 1.0 . . . . . . . . . . . . A . 43 GLY CA . . . . . . . . . rr_1sso 1 . 1 . 697 . 1 1 43 GLY H H 3.955 1.210 -5.266 . . . 1.0 . . . . . . . . . . . . A . 43 GLY H . . . . . . . . . rr_1sso 1 . 1 . 698 . 1 1 43 GLY HA2 H 5.824 -0.975 -4.660 . . . 1.0 . . . . . . . . . . . . A . 43 GLY HA2 . . . . . . . . . rr_1sso 1 . 1 . 699 . 1 1 43 GLY HA3 H 4.880 -0.411 -3.281 . . . 1.0 . . . . . . . . . . . . A . 43 GLY HA3 . . . . . . . . . rr_1sso 1 . 1 . 700 . 1 1 43 GLY N N 4.821 0.860 -4.969 . . . 1.0 . . . . . . . . . . . . A . 43 GLY N . . . . . . . . . rr_1sso 1 . 1 . 701 . 1 1 43 GLY O O 2.631 -0.837 -5.045 . . . 1.0 . . . . . . . . . . . . A . 43 GLY O . . . . . . . . . rr_1sso 1 . 1 . 702 . 1 1 44 ALA C C 2.601 -4.635 -4.365 . . . 1.0 . . . . . . . . . . . . A . 44 ALA C . . . . . . . . . rr_1sso 1 . 1 . 703 . 1 1 44 ALA CA C 2.801 -3.524 -5.399 . . . 1.0 . . . . . . . . . . . . A . 44 ALA CA . . . . . . . . . rr_1sso 1 . 1 . 704 . 1 1 44 ALA CB C 3.151 -4.140 -6.756 . . . 1.0 . . . . . . . . . . . . A . 44 ALA CB . . . . . . . . . rr_1sso 1 . 1 . 705 . 1 1 44 ALA H H 4.794 -3.011 -4.763 . . . 1.0 . . . . . . . . . . . . A . 44 ALA H . . . . . . . . . rr_1sso 1 . 1 . 706 . 1 1 44 ALA HA H 1.891 -2.948 -5.488 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HA . . . . . . . . . rr_1sso 1 . 1 . 707 . 1 1 44 ALA HB1 H 4.223 -4.143 -6.884 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB1 . . . . . . . . . rr_1sso 1 . 1 . 708 . 1 1 44 ALA HB2 H 2.779 -5.153 -6.798 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB2 . . . . . . . . . rr_1sso 1 . 1 . 709 . 1 1 44 ALA HB3 H 2.696 -3.557 -7.543 . . . 1.0 . . . . . . . . . . . . A . 44 ALA HB3 . . . . . . . . . rr_1sso 1 . 1 . 710 . 1 1 44 ALA N N 3.911 -2.631 -4.955 . . . 1.0 . . . . . . . . . . . . A . 44 ALA N . . . . . . . . . rr_1sso 1 . 1 . 711 . 1 1 44 ALA O O 3.219 -5.680 -4.436 . . . 1.0 . . . . . . . . . . . . A . 44 ALA O . . . . . . . . . rr_1sso 1 . 1 . 712 . 1 1 45 VAL C C 0.401 -6.407 -2.847 . . . 1.0 . . . . . . . . . . . . A . 45 VAL C . . . . . . . . . rr_1sso 1 . 1 . 713 . 1 1 45 VAL CA C 1.488 -5.443 -2.357 . . . 1.0 . . . . . . . . . . . . A . 45 VAL CA . . . . . . . . . rr_1sso 1 . 1 . 714 . 1 1 45 VAL CB C 1.037 -4.743 -1.063 . . . 1.0 . . . . . . . . . . . . A . 45 VAL CB . . . . . . . . . rr_1sso 1 . 1 . 715 . 1 1 45 VAL CG1 C -0.250 -3.954 -1.314 . . . 1.0 . . . . . . . . . . . . A . 45 VAL CG1 . . . . . . . . . rr_1sso 1 . 1 . 716 . 1 1 45 VAL CG2 C 0.784 -5.784 0.032 . . . 1.0 . . . . . . . . . . . . A . 45 VAL CG2 . . . . . . . . . rr_1sso 1 . 1 . 717 . 1 1 45 VAL H H 1.259 -3.559 -3.376 . . . 1.0 . . . . . . . . . . . . A . 45 VAL H . . . . . . . . . rr_1sso 1 . 1 . 718 . 1 1 45 VAL HA H 2.398 -5.994 -2.170 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HA . . . . . . . . . rr_1sso 1 . 1 . 719 . 1 1 45 VAL HB H 1.813 -4.063 -0.739 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HB . . . . . . . . . rr_1sso 1 . 1 . 720 . 1 1 45 VAL HG11 H -0.974 -4.592 -1.798 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG11 . . . . . . . . . rr_1sso 1 . 1 . 721 . 1 1 45 VAL HG12 H -0.649 -3.606 -0.373 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG12 . . . . . . . . . rr_1sso 1 . 1 . 722 . 1 1 45 VAL HG13 H -0.036 -3.108 -1.949 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG13 . . . . . . . . . rr_1sso 1 . 1 . 723 . 1 1 45 VAL HG21 H 1.610 -6.478 0.067 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG21 . . . . . . . . . rr_1sso 1 . 1 . 724 . 1 1 45 VAL HG22 H 0.691 -5.286 0.986 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG22 . . . . . . . . . rr_1sso 1 . 1 . 725 . 1 1 45 VAL HG23 H -0.128 -6.319 -0.185 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG23 . . . . . . . . . rr_1sso 1 . 1 . 726 . 1 1 45 VAL N N 1.740 -4.411 -3.406 . . . 1.0 . . . . . . . . . . . . A . 45 VAL N . . . . . . . . . rr_1sso 1 . 1 . 727 . 1 1 45 VAL O O -0.317 -6.114 -3.781 . . . 1.0 . . . . . . . . . . . . A . 45 VAL O . . . . . . . . . rr_1sso 1 . 1 . 728 . 1 1 46 SER C C -2.073 -8.232 -1.910 . . . 1.0 . . . . . . . . . . . . A . 46 SER C . . . . . . . . . rr_1sso 1 . 1 . 729 . 1 1 46 SER CA C -0.766 -8.533 -2.646 . . . 1.0 . . . . . . . . . . . . A . 46 SER CA . . . . . . . . . rr_1sso 1 . 1 . 730 . 1 1 46 SER CB C -0.303 -9.950 -2.307 . . . 1.0 . . . . . . . . . . . . A . 46 SER CB . . . . . . . . . rr_1sso 1 . 1 . 731 . 1 1 46 SER H H 0.868 -7.764 -1.470 . . . 1.0 . . . . . . . . . . . . A . 46 SER H . . . . . . . . . rr_1sso 1 . 1 . 732 . 1 1 46 SER HA H -0.925 -8.450 -3.712 . . . 1.0 . . . . . . . . . . . . A . 46 SER HA . . . . . . . . . rr_1sso 1 . 1 . 733 . 1 1 46 SER HB2 H 0.134 -9.963 -1.323 . . . 1.0 . . . . . . . . . . . . A . 46 SER HB2 . . . . . . . . . rr_1sso 1 . 1 . 734 . 1 1 46 SER HB3 H -1.152 -10.620 -2.330 . . . 1.0 . . . . . . . . . . . . A . 46 SER HB3 . . . . . . . . . rr_1sso 1 . 1 . 735 . 1 1 46 SER HG H 0.789 -11.313 -3.164 . . . 1.0 . . . . . . . . . . . . A . 46 SER HG . . . . . . . . . rr_1sso 1 . 1 . 736 . 1 1 46 SER N N 0.276 -7.551 -2.222 . . . 1.0 . . . . . . . . . . . . A . 46 SER N . . . . . . . . . rr_1sso 1 . 1 . 737 . 1 1 46 SER O O -2.131 -7.354 -1.069 . . . 1.0 . . . . . . . . . . . . A . 46 SER O . . . . . . . . . rr_1sso 1 . 1 . 738 . 1 1 46 SER OG O 0.671 -10.365 -3.256 . . . 1.0 . . . . . . . . . . . . A . 46 SER OG . . . . . . . . . rr_1sso 1 . 1 . 739 . 1 1 47 GLU C C -4.432 -9.399 -0.174 . . . 1.0 . . . . . . . . . . . . A . 47 GLU C . . . . . . . . . rr_1sso 1 . 1 . 740 . 1 1 47 GLU CA C -4.430 -8.711 -1.541 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CA . . . . . . . . . rr_1sso 1 . 1 . 741 . 1 1 47 GLU CB C -5.564 -9.278 -2.399 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CB . . . . . . . . . rr_1sso 1 . 1 . 742 . 1 1 47 GLU CD C -8.050 -9.303 -2.656 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CD . . . . . . . . . rr_1sso 1 . 1 . 743 . 1 1 47 GLU CG C -6.859 -8.521 -2.099 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CG . . . . . . . . . rr_1sso 1 . 1 . 744 . 1 1 47 GLU H H -3.048 -9.653 -2.902 . . . 1.0 . . . . . . . . . . . . A . 47 GLU H . . . . . . . . . rr_1sso 1 . 1 . 745 . 1 1 47 GLU HA H -4.575 -7.649 -1.409 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HA . . . . . . . . . rr_1sso 1 . 1 . 746 . 1 1 47 GLU HB2 H -5.314 -9.166 -3.445 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HB2 . . . . . . . . . rr_1sso 1 . 1 . 747 . 1 1 47 GLU HB3 H -5.700 -10.324 -2.171 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HB3 . . . . . . . . . rr_1sso 1 . 1 . 748 . 1 1 47 GLU HG2 H -6.970 -8.407 -1.030 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HG2 . . . . . . . . . rr_1sso 1 . 1 . 749 . 1 1 47 GLU HG3 H -6.823 -7.546 -2.563 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HG3 . . . . . . . . . rr_1sso 1 . 1 . 750 . 1 1 47 GLU N N -3.122 -8.953 -2.220 . . . 1.0 . . . . . . . . . . . . A . 47 GLU N . . . . . . . . . rr_1sso 1 . 1 . 751 . 1 1 47 GLU O O -4.977 -8.887 0.785 . . . 1.0 . . . . . . . . . . . . A . 47 GLU O . . . . . . . . . rr_1sso 1 . 1 . 752 . 1 1 47 GLU OE1 O -8.330 -10.369 -2.133 . . . 1.0 . . . . . . . . . . . . A . 47 GLU OE1 . . . . . . . . . rr_1sso 1 . 1 . 753 . 1 1 47 GLU OE2 O -8.661 -8.823 -3.597 . . . 1.0 . . . . . . . . . . . . A . 47 GLU OE2 . . . . . . . . . rr_1sso 1 . 1 . 754 . 1 1 48 LYS C C -2.793 -10.604 2.160 . . . 1.0 . . . . . . . . . . . . A . 48 LYS C . . . . . . . . . rr_1sso 1 . 1 . 755 . 1 1 48 LYS CA C -3.788 -11.286 1.220 . . . 1.0 . . . . . . . . . . . . A . 48 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 756 . 1 1 48 LYS CB C -3.350 -12.733 0.980 . . . 1.0 . . . . . . . . . . . . A . 48 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 757 . 1 1 48 LYS CD C -4.027 -14.941 0.027 . . . 1.0 . . . . . . . . . . . . A . 48 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 758 . 1 1 48 LYS CE C -4.465 -15.823 1.198 . . . 1.0 . . . . . . . . . . . . A . 48 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 759 . 1 1 48 LYS CG C -4.472 -13.499 0.278 . . . 1.0 . . . . . . . . . . . . A . 48 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 760 . 1 1 48 LYS H H -3.396 -10.946 -0.871 . . . 1.0 . . . . . . . . . . . . A . 48 LYS H . . . . . . . . . rr_1sso 1 . 1 . 761 . 1 1 48 LYS HA H -4.771 -11.277 1.667 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 762 . 1 1 48 LYS HB2 H -2.465 -12.742 0.360 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 763 . 1 1 48 LYS HB3 H -3.132 -13.205 1.926 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 764 . 1 1 48 LYS HD2 H -4.479 -15.303 -0.886 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 765 . 1 1 48 LYS HD3 H -2.952 -14.975 -0.065 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 766 . 1 1 48 LYS HE2 H -3.845 -15.613 2.057 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 767 . 1 1 48 LYS HE3 H -5.497 -15.615 1.439 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 768 . 1 1 48 LYS HG2 H -5.354 -13.497 0.902 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 769 . 1 1 48 LYS HG3 H -4.697 -13.024 -0.665 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 770 . 1 1 48 LYS HZ1 H -4.542 -17.376 -0.188 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 771 . 1 1 48 LYS HZ2 H -3.346 -17.568 1.000 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 772 . 1 1 48 LYS HZ3 H -4.979 -17.831 1.389 . . . 1.0 . . . . . . . . . . . . A . 48 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 773 . 1 1 48 LYS N N -3.827 -10.556 -0.082 . . . 1.0 . . . . . . . . . . . . A . 48 LYS N . . . . . . . . . rr_1sso 1 . 1 . 774 . 1 1 48 LYS NZ N -4.322 -17.258 0.821 . . . 1.0 . . . . . . . . . . . . A . 48 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 775 . 1 1 48 LYS O O -2.983 -10.575 3.362 . . . 1.0 . . . . . . . . . . . . A . 48 LYS O . . . . . . . . . rr_1sso 1 . 1 . 776 . 1 1 49 ASP C C -1.287 -8.061 3.007 . . . 1.0 . . . . . . . . . . . . A . 49 ASP C . . . . . . . . . rr_1sso 1 . 1 . 777 . 1 1 49 ASP CA C -0.716 -9.377 2.473 . . . 1.0 . . . . . . . . . . . . A . 49 ASP CA . . . . . . . . . rr_1sso 1 . 1 . 778 . 1 1 49 ASP CB C 0.534 -9.088 1.640 . . . 1.0 . . . . . . . . . . . . A . 49 ASP CB . . . . . . . . . rr_1sso 1 . 1 . 779 . 1 1 49 ASP CG C 1.512 -10.257 1.762 . . . 1.0 . . . . . . . . . . . . A . 49 ASP CG . . . . . . . . . rr_1sso 1 . 1 . 780 . 1 1 49 ASP H H -1.607 -10.099 0.649 . . . 1.0 . . . . . . . . . . . . A . 49 ASP H . . . . . . . . . rr_1sso 1 . 1 . 781 . 1 1 49 ASP HA H -0.455 -10.018 3.302 . . . 1.0 . . . . . . . . . . . . A . 49 ASP HA . . . . . . . . . rr_1sso 1 . 1 . 782 . 1 1 49 ASP HB2 H 0.254 -8.959 0.604 . . . 1.0 . . . . . . . . . . . . A . 49 ASP HB2 . . . . . . . . . rr_1sso 1 . 1 . 783 . 1 1 49 ASP HB3 H 1.006 -8.186 2.000 . . . 1.0 . . . . . . . . . . . . A . 49 ASP HB3 . . . . . . . . . rr_1sso 1 . 1 . 784 . 1 1 49 ASP N N -1.734 -10.058 1.620 . . . 1.0 . . . . . . . . . . . . A . 49 ASP N . . . . . . . . . rr_1sso 1 . 1 . 785 . 1 1 49 ASP O O -0.924 -7.610 4.077 . . . 1.0 . . . . . . . . . . . . A . 49 ASP O . . . . . . . . . rr_1sso 1 . 1 . 786 . 1 1 49 ASP OD1 O 2.122 -10.386 2.811 . . . 1.0 . . . . . . . . . . . . A . 49 ASP OD1 . . . . . . . . . rr_1sso 1 . 1 . 787 . 1 1 49 ASP OD2 O 1.635 -11.004 0.806 . . . 1.0 . . . . . . . . . . . . A . 49 ASP OD2 . . . . . . . . . rr_1sso 1 . 1 . 788 . 1 1 50 ALA C C -3.695 -6.411 3.930 . . . 1.0 . . . . . . . . . . . . A . 50 ALA C . . . . . . . . . rr_1sso 1 . 1 . 789 . 1 1 50 ALA CA C -2.765 -6.151 2.726 . . . 1.0 . . . . . . . . . . . . A . 50 ALA CA . . . . . . . . . rr_1sso 1 . 1 . 790 . 1 1 50 ALA CB C -3.571 -5.527 1.585 . . . 1.0 . . . . . . . . . . . . A . 50 ALA CB . . . . . . . . . rr_1sso 1 . 1 . 791 . 1 1 50 ALA H H -2.444 -7.826 1.407 . . . 1.0 . . . . . . . . . . . . A . 50 ALA H . . . . . . . . . rr_1sso 1 . 1 . 792 . 1 1 50 ALA HA H -1.969 -5.482 3.013 . . . 1.0 . . . . . . . . . . . . A . 50 ALA HA . . . . . . . . . rr_1sso 1 . 1 . 793 . 1 1 50 ALA HB1 H -3.967 -6.309 0.954 . . . 1.0 . . . . . . . . . . . . A . 50 ALA HB1 . . . . . . . . . rr_1sso 1 . 1 . 794 . 1 1 50 ALA HB2 H -4.385 -4.947 1.995 . . . 1.0 . . . . . . . . . . . . A . 50 ALA HB2 . . . . . . . . . rr_1sso 1 . 1 . 795 . 1 1 50 ALA HB3 H -2.929 -4.883 1.002 . . . 1.0 . . . . . . . . . . . . A . 50 ALA HB3 . . . . . . . . . rr_1sso 1 . 1 . 796 . 1 1 50 ALA N N -2.172 -7.442 2.267 . . . 1.0 . . . . . . . . . . . . A . 50 ALA N . . . . . . . . . rr_1sso 1 . 1 . 797 . 1 1 50 ALA O O -4.386 -7.410 3.949 . . . 1.0 . . . . . . . . . . . . A . 50 ALA O . . . . . . . . . rr_1sso 1 . 1 . 798 . 1 1 51 PRO C C -6.035 -5.630 5.695 . . . 1.0 . . . . . . . . . . . . A . 51 PRO C . . . . . . . . . rr_1sso 1 . 1 . 799 . 1 1 51 PRO CA C -4.559 -5.683 6.097 . . . 1.0 . . . . . . . . . . . . A . 51 PRO CA . . . . . . . . . rr_1sso 1 . 1 . 800 . 1 1 51 PRO CB C -4.206 -4.501 7.015 . . . 1.0 . . . . . . . . . . . . A . 51 PRO CB . . . . . . . . . rr_1sso 1 . 1 . 801 . 1 1 51 PRO CD C -2.872 -4.286 4.923 . . . 1.0 . . . . . . . . . . . . A . 51 PRO CD . . . . . . . . . rr_1sso 1 . 1 . 802 . 1 1 51 PRO CG C -3.169 -3.621 6.275 . . . 1.0 . . . . . . . . . . . . A . 51 PRO CG . . . . . . . . . rr_1sso 1 . 1 . 803 . 1 1 51 PRO HA H -4.337 -6.613 6.596 . . . 1.0 . . . . . . . . . . . . A . 51 PRO HA . . . . . . . . . rr_1sso 1 . 1 . 804 . 1 1 51 PRO HB2 H -5.095 -3.922 7.229 . . . 1.0 . . . . . . . . . . . . A . 51 PRO HB2 . . . . . . . . . rr_1sso 1 . 1 . 805 . 1 1 51 PRO HB3 H -3.777 -4.867 7.935 . . . 1.0 . . . . . . . . . . . . A . 51 PRO HB3 . . . . . . . . . rr_1sso 1 . 1 . 806 . 1 1 51 PRO HD2 H -3.155 -3.630 4.113 . . . 1.0 . . . . . . . . . . . . A . 51 PRO HD2 . . . . . . . . . rr_1sso 1 . 1 . 807 . 1 1 51 PRO HD3 H -1.826 -4.544 4.853 . . . 1.0 . . . . . . . . . . . . A . 51 PRO HD3 . . . . . . . . . rr_1sso 1 . 1 . 808 . 1 1 51 PRO HG2 H -3.575 -2.632 6.117 . . . 1.0 . . . . . . . . . . . . A . 51 PRO HG2 . . . . . . . . . rr_1sso 1 . 1 . 809 . 1 1 51 PRO HG3 H -2.261 -3.558 6.855 . . . 1.0 . . . . . . . . . . . . A . 51 PRO HG3 . . . . . . . . . rr_1sso 1 . 1 . 810 . 1 1 51 PRO N N -3.700 -5.515 4.909 . . . 1.0 . . . . . . . . . . . . A . 51 PRO N . . . . . . . . . rr_1sso 1 . 1 . 811 . 1 1 51 PRO O O -6.372 -5.680 4.527 . . . 1.0 . . . . . . . . . . . . A . 51 PRO O . . . . . . . . . rr_1sso 1 . 1 . 812 . 1 1 52 LYS C C -8.828 -4.004 6.278 . . . 1.0 . . . . . . . . . . . . A . 52 LYS C . . . . . . . . . rr_1sso 1 . 1 . 813 . 1 1 52 LYS CA C -8.371 -5.466 6.352 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 814 . 1 1 52 LYS CB C -9.152 -6.182 7.455 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 815 . 1 1 52 LYS CD C -9.784 -8.411 8.387 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 816 . 1 1 52 LYS CE C -10.331 -9.761 7.922 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 817 . 1 1 52 LYS CG C -9.129 -7.691 7.206 . . . 1.0 . . . . . . . . . . . . A . 52 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 818 . 1 1 52 LYS H H -6.608 -5.487 7.589 . . . 1.0 . . . . . . . . . . . . A . 52 LYS H . . . . . . . . . rr_1sso 1 . 1 . 819 . 1 1 52 LYS HA H -8.560 -5.950 5.405 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 820 . 1 1 52 LYS HB2 H -8.700 -5.967 8.412 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 821 . 1 1 52 LYS HB3 H -10.175 -5.835 7.455 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 822 . 1 1 52 LYS HD2 H -9.050 -8.566 9.165 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 823 . 1 1 52 LYS HD3 H -10.594 -7.809 8.771 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 824 . 1 1 52 LYS HE2 H -9.672 -10.179 7.176 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 825 . 1 1 52 LYS HE3 H -10.394 -10.434 8.765 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 826 . 1 1 52 LYS HG2 H -9.672 -7.915 6.300 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 827 . 1 1 52 LYS HG3 H -8.107 -8.024 7.106 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 828 . 1 1 52 LYS HZ1 H -12.308 -9.116 8.038 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 829 . 1 1 52 LYS HZ2 H -11.620 -8.966 6.492 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 830 . 1 1 52 LYS HZ3 H -12.084 -10.493 7.068 . . . 1.0 . . . . . . . . . . . . A . 52 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 831 . 1 1 52 LYS N N -6.912 -5.526 6.658 . . . 1.0 . . . . . . . . . . . . A . 52 LYS N . . . . . . . . . rr_1sso 1 . 1 . 832 . 1 1 52 LYS NZ N -11.688 -9.570 7.336 . . . 1.0 . . . . . . . . . . . . A . 52 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 833 . 1 1 52 LYS O O -9.818 -3.690 5.644 . . . 1.0 . . . . . . . . . . . . A . 52 LYS O . . . . . . . . . rr_1sso 1 . 1 . 834 . 1 1 53 GLU C C -7.738 -0.930 5.816 . . . 1.0 . . . . . . . . . . . . A . 53 GLU C . . . . . . . . . rr_1sso 1 . 1 . 835 . 1 1 53 GLU CA C -8.520 -1.672 6.905 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CA . . . . . . . . . rr_1sso 1 . 1 . 836 . 1 1 53 GLU CB C -8.216 -1.039 8.265 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CB . . . . . . . . . rr_1sso 1 . 1 . 837 . 1 1 53 GLU CD C -9.022 -0.780 10.615 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CD . . . . . . . . . rr_1sso 1 . 1 . 838 . 1 1 53 GLU CG C -9.389 -1.280 9.217 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CG . . . . . . . . . rr_1sso 1 . 1 . 839 . 1 1 53 GLU H H -7.333 -3.387 7.439 . . . 1.0 . . . . . . . . . . . . A . 53 GLU H . . . . . . . . . rr_1sso 1 . 1 . 840 . 1 1 53 GLU HA H -9.577 -1.595 6.702 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HA . . . . . . . . . rr_1sso 1 . 1 . 841 . 1 1 53 GLU HB2 H -7.321 -1.484 8.677 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HB2 . . . . . . . . . rr_1sso 1 . 1 . 842 . 1 1 53 GLU HB3 H -8.066 0.023 8.143 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HB3 . . . . . . . . . rr_1sso 1 . 1 . 843 . 1 1 53 GLU HG2 H -10.258 -0.745 8.859 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HG2 . . . . . . . . . rr_1sso 1 . 1 . 844 . 1 1 53 GLU HG3 H -9.608 -2.336 9.260 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HG3 . . . . . . . . . rr_1sso 1 . 1 . 845 . 1 1 53 GLU N N -8.122 -3.110 6.929 . . . 1.0 . . . . . . . . . . . . A . 53 GLU N . . . . . . . . . rr_1sso 1 . 1 . 846 . 1 1 53 GLU O O -7.382 0.224 5.980 . . . 1.0 . . . . . . . . . . . . A . 53 GLU O . . . . . . . . . rr_1sso 1 . 1 . 847 . 1 1 53 GLU OE1 O -8.912 0.423 10.783 . . . 1.0 . . . . . . . . . . . . A . 53 GLU OE1 . . . . . . . . . rr_1sso 1 . 1 . 848 . 1 1 53 GLU OE2 O -8.856 -1.610 11.494 . . . 1.0 . . . . . . . . . . . . A . 53 GLU OE2 . . . . . . . . . rr_1sso 1 . 1 . 849 . 1 1 54 LEU C C -7.671 -0.594 2.456 . . . 1.0 . . . . . . . . . . . . A . 54 LEU C . . . . . . . . . rr_1sso 1 . 1 . 850 . 1 1 54 LEU CA C -6.719 -0.898 3.611 . . . 1.0 . . . . . . . . . . . . A . 54 LEU CA . . . . . . . . . rr_1sso 1 . 1 . 851 . 1 1 54 LEU CB C -5.581 -1.800 3.128 . . . 1.0 . . . . . . . . . . . . A . 54 LEU CB . . . . . . . . . rr_1sso 1 . 1 . 852 . 1 1 54 LEU CD1 C -3.780 -0.098 3.445 . . . 1.0 . . . . . . . . . . . . A . 54 LEU CD1 . . . . . . . . . rr_1sso 1 . 1 . 853 . 1 1 54 LEU CD2 C -3.528 -1.873 1.708 . . . 1.0 . . . . . . . . . . . . A . 54 LEU CD2 . . . . . . . . . rr_1sso 1 . 1 . 854 . 1 1 54 LEU CG C -4.523 -0.953 2.418 . . . 1.0 . . . . . . . . . . . . A . 54 LEU CG . . . . . . . . . rr_1sso 1 . 1 . 855 . 1 1 54 LEU H H -7.772 -2.501 4.595 . . . 1.0 . . . . . . . . . . . . A . 54 LEU H . . . . . . . . . rr_1sso 1 . 1 . 856 . 1 1 54 LEU HA H -6.316 0.032 3.985 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HA . . . . . . . . . rr_1sso 1 . 1 . 857 . 1 1 54 LEU HB2 H -5.135 -2.300 3.975 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HB2 . . . . . . . . . rr_1sso 1 . 1 . 858 . 1 1 54 LEU HB3 H -5.972 -2.535 2.440 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HB3 . . . . . . . . . rr_1sso 1 . 1 . 859 . 1 1 54 LEU HD11 H -3.670 -0.654 4.364 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HD11 . . . . . . . . . rr_1sso 1 . 1 . 860 . 1 1 54 LEU HD12 H -2.804 0.159 3.060 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HD12 . . . . . . . . . rr_1sso 1 . 1 . 861 . 1 1 54 LEU HD13 H -4.341 0.805 3.636 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HD13 . . . . . . . . . rr_1sso 1 . 1 . 862 . 1 1 54 LEU HD21 H -3.384 -2.768 2.294 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HD21 . . . . . . . . . rr_1sso 1 . 1 . 863 . 1 1 54 LEU HD22 H -3.913 -2.138 0.735 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HD22 . . . . . . . . . rr_1sso 1 . 1 . 864 . 1 1 54 LEU HD23 H -2.583 -1.361 1.594 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HD23 . . . . . . . . . rr_1sso 1 . 1 . 865 . 1 1 54 LEU HG H -5.003 -0.311 1.694 . . . 1.0 . . . . . . . . . . . . A . 54 LEU HG . . . . . . . . . rr_1sso 1 . 1 . 866 . 1 1 54 LEU N N -7.473 -1.575 4.707 . . . 1.0 . . . . . . . . . . . . A . 54 LEU N . . . . . . . . . rr_1sso 1 . 1 . 867 . 1 1 54 LEU O O -7.667 0.495 1.914 . . . 1.0 . . . . . . . . . . . . A . 54 LEU O . . . . . . . . . rr_1sso 1 . 1 . 868 . 1 1 55 LEU C C -10.395 -0.089 1.392 . . . 1.0 . . . . . . . . . . . . A . 55 LEU C . . . . . . . . . rr_1sso 1 . 1 . 869 . 1 1 55 LEU CA C -9.499 -1.280 1.000 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CA . . . . . . . . . rr_1sso 1 . 1 . 870 . 1 1 55 LEU CB C -10.364 -2.526 0.789 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CB . . . . . . . . . rr_1sso 1 . 1 . 871 . 1 1 55 LEU CD1 C -10.161 -5.004 0.534 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CD1 . . . . . . . . . rr_1sso 1 . 1 . 872 . 1 1 55 LEU CD2 C -9.368 -3.492 -1.289 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CD2 . . . . . . . . . rr_1sso 1 . 1 . 873 . 1 1 55 LEU CG C -9.502 -3.658 0.227 . . . 1.0 . . . . . . . . . . . . A . 55 LEU CG . . . . . . . . . rr_1sso 1 . 1 . 874 . 1 1 55 LEU H H -8.516 -2.394 2.568 . . . 1.0 . . . . . . . . . . . . A . 55 LEU H . . . . . . . . . rr_1sso 1 . 1 . 875 . 1 1 55 LEU HA H -8.970 -1.048 0.088 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HA . . . . . . . . . rr_1sso 1 . 1 . 876 . 1 1 55 LEU HB2 H -10.792 -2.832 1.733 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HB2 . . . . . . . . . rr_1sso 1 . 1 . 877 . 1 1 55 LEU HB3 H -11.156 -2.300 0.091 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HB3 . . . . . . . . . rr_1sso 1 . 1 . 878 . 1 1 55 LEU HD11 H -11.232 -4.876 0.590 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD11 . . . . . . . . . rr_1sso 1 . 1 . 879 . 1 1 55 LEU HD12 H -9.924 -5.708 -0.250 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD12 . . . . . . . . . rr_1sso 1 . 1 . 880 . 1 1 55 LEU HD13 H -9.793 -5.379 1.478 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD13 . . . . . . . . . rr_1sso 1 . 1 . 881 . 1 1 55 LEU HD21 H -10.267 -3.042 -1.682 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD21 . . . . . . . . . rr_1sso 1 . 1 . 882 . 1 1 55 LEU HD22 H -8.522 -2.859 -1.508 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD22 . . . . . . . . . rr_1sso 1 . 1 . 883 . 1 1 55 LEU HD23 H -9.221 -4.461 -1.745 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HD23 . . . . . . . . . rr_1sso 1 . 1 . 884 . 1 1 55 LEU HG H -8.523 -3.625 0.683 . . . 1.0 . . . . . . . . . . . . A . 55 LEU HG . . . . . . . . . rr_1sso 1 . 1 . 885 . 1 1 55 LEU N N -8.514 -1.534 2.098 . . . 1.0 . . . . . . . . . . . . A . 55 LEU N . . . . . . . . . rr_1sso 1 . 1 . 886 . 1 1 55 LEU O O -11.021 0.532 0.556 . . . 1.0 . . . . . . . . . . . . A . 55 LEU O . . . . . . . . . rr_1sso 1 . 1 . 887 . 1 1 56 GLN C C -11.075 2.625 2.309 . . . 1.0 . . . . . . . . . . . . A . 56 GLN C . . . . . . . . . rr_1sso 1 . 1 . 888 . 1 1 56 GLN CA C -11.276 1.366 3.171 . . . 1.0 . . . . . . . . . . . . A . 56 GLN CA . . . . . . . . . rr_1sso 1 . 1 . 889 . 1 1 56 GLN CB C -10.829 1.658 4.612 . . . 1.0 . . . . . . . . . . . . A . 56 GLN CB . . . . . . . . . rr_1sso 1 . 1 . 890 . 1 1 56 GLN CD C -13.004 2.406 5.588 . . . 1.0 . . . . . . . . . . . . A . 56 GLN CD . . . . . . . . . rr_1sso 1 . 1 . 891 . 1 1 56 GLN CG C -11.949 1.299 5.590 . . . 1.0 . . . . . . . . . . . . A . 56 GLN CG . . . . . . . . . rr_1sso 1 . 1 . 892 . 1 1 56 GLN H H -9.938 -0.294 3.317 . . . 1.0 . . . . . . . . . . . . A . 56 GLN H . . . . . . . . . rr_1sso 1 . 1 . 893 . 1 1 56 GLN HA H -12.318 1.087 3.165 . . . 1.0 . . . . . . . . . . . . A . 56 GLN HA . . . . . . . . . rr_1sso 1 . 1 . 894 . 1 1 56 GLN HB2 H -9.952 1.063 4.838 . . . 1.0 . . . . . . . . . . . . A . 56 GLN HB2 . . . . . . . . . rr_1sso 1 . 1 . 895 . 1 1 56 GLN HB3 H -10.582 2.704 4.715 . . . 1.0 . . . . . . . . . . . . A . 56 GLN HB3 . . . . . . . . . rr_1sso 1 . 1 . 896 . 1 1 56 GLN HE21 H -13.543 2.092 7.473 . . . 1.0 . . . . . . . . . . . . A . 56 GLN HE21 . . . . . . . . . rr_1sso 1 . 1 . 897 . 1 1 56 GLN HE22 H -14.378 3.338 6.679 . . . 1.0 . . . . . . . . . . . . A . 56 GLN HE22 . . . . . . . . . rr_1sso 1 . 1 . 898 . 1 1 56 GLN HG2 H -12.402 0.366 5.289 . . . 1.0 . . . . . . . . . . . . A . 56 GLN HG2 . . . . . . . . . rr_1sso 1 . 1 . 899 . 1 1 56 GLN HG3 H -11.539 1.196 6.584 . . . 1.0 . . . . . . . . . . . . A . 56 GLN HG3 . . . . . . . . . rr_1sso 1 . 1 . 900 . 1 1 56 GLN N N -10.449 0.227 2.669 . . . 1.0 . . . . . . . . . . . . A . 56 GLN N . . . . . . . . . rr_1sso 1 . 1 . 901 . 1 1 56 GLN NE2 N -13.699 2.630 6.670 . . . 1.0 . . . . . . . . . . . . A . 56 GLN NE2 . . . . . . . . . rr_1sso 1 . 1 . 902 . 1 1 56 GLN O O -12.027 3.263 1.901 . . . 1.0 . . . . . . . . . . . . A . 56 GLN O . . . . . . . . . rr_1sso 1 . 1 . 903 . 1 1 56 GLN OE1 O -13.199 3.074 4.592 . . . 1.0 . . . . . . . . . . . . A . 56 GLN OE1 . . . . . . . . . rr_1sso 1 . 1 . 904 . 1 1 57 MET C C -10.161 4.036 -0.177 . . . 1.0 . . . . . . . . . . . . A . 57 MET C . . . . . . . . . rr_1sso 1 . 1 . 905 . 1 1 57 MET CA C -9.580 4.211 1.228 . . . 1.0 . . . . . . . . . . . . A . 57 MET CA . . . . . . . . . rr_1sso 1 . 1 . 906 . 1 1 57 MET CB C -8.070 4.444 1.136 . . . 1.0 . . . . . . . . . . . . A . 57 MET CB . . . . . . . . . rr_1sso 1 . 1 . 907 . 1 1 57 MET CE C -4.976 5.244 1.802 . . . 1.0 . . . . . . . . . . . . A . 57 MET CE . . . . . . . . . rr_1sso 1 . 1 . 908 . 1 1 57 MET CG C -7.645 5.455 2.207 . . . 1.0 . . . . . . . . . . . . A . 57 MET CG . . . . . . . . . rr_1sso 1 . 1 . 909 . 1 1 57 MET H H -9.096 2.464 2.395 . . . 1.0 . . . . . . . . . . . . A . 57 MET H . . . . . . . . . rr_1sso 1 . 1 . 910 . 1 1 57 MET HA H -10.044 5.063 1.701 . . . 1.0 . . . . . . . . . . . . A . 57 MET HA . . . . . . . . . rr_1sso 1 . 1 . 911 . 1 1 57 MET HB2 H -7.551 3.509 1.297 . . . 1.0 . . . . . . . . . . . . A . 57 MET HB2 . . . . . . . . . rr_1sso 1 . 1 . 912 . 1 1 57 MET HB3 H -7.823 4.830 0.159 . . . 1.0 . . . . . . . . . . . . A . 57 MET HB3 . . . . . . . . . rr_1sso 1 . 1 . 913 . 1 1 57 MET HE1 H -5.353 4.266 1.548 . . . 1.0 . . . . . . . . . . . . A . 57 MET HE1 . . . . . . . . . rr_1sso 1 . 1 . 914 . 1 1 57 MET HE2 H -4.143 5.486 1.157 . . . 1.0 . . . . . . . . . . . . A . 57 MET HE2 . . . . . . . . . rr_1sso 1 . 1 . 915 . 1 1 57 MET HE3 H -4.653 5.246 2.834 . . . 1.0 . . . . . . . . . . . . A . 57 MET HE3 . . . . . . . . . rr_1sso 1 . 1 . 916 . 1 1 57 MET HG2 H -8.483 6.090 2.455 . . . 1.0 . . . . . . . . . . . . A . 57 MET HG2 . . . . . . . . . rr_1sso 1 . 1 . 917 . 1 1 57 MET HG3 H -7.321 4.927 3.092 . . . 1.0 . . . . . . . . . . . . A . 57 MET HG3 . . . . . . . . . rr_1sso 1 . 1 . 918 . 1 1 57 MET N N -9.846 2.990 2.046 . . . 1.0 . . . . . . . . . . . . A . 57 MET N . . . . . . . . . rr_1sso 1 . 1 . 919 . 1 1 57 MET O O -10.676 4.970 -0.762 . . . 1.0 . . . . . . . . . . . . A . 57 MET O . . . . . . . . . rr_1sso 1 . 1 . 920 . 1 1 57 MET SD S -6.285 6.472 1.582 . . . 1.0 . . . . . . . . . . . . A . 57 MET SD . . . . . . . . . rr_1sso 1 . 1 . 921 . 1 1 58 LEU C C -12.135 2.838 -2.109 . . . 1.0 . . . . . . . . . . . . A . 58 LEU C . . . . . . . . . rr_1sso 1 . 1 . 922 . 1 1 58 LEU CA C -10.622 2.612 -2.096 . . . 1.0 . . . . . . . . . . . . A . 58 LEU CA . . . . . . . . . rr_1sso 1 . 1 . 923 . 1 1 58 LEU CB C -10.321 1.175 -2.530 . . . 1.0 . . . . . . . . . . . . A . 58 LEU CB . . . . . . . . . rr_1sso 1 . 1 . 924 . 1 1 58 LEU CD1 C -8.944 1.068 -4.621 . . . 1.0 . . . . . . . . . . . . A . 58 LEU CD1 . . . . . . . . . rr_1sso 1 . 1 . 925 . 1 1 58 LEU CD2 C -11.082 -0.210 -4.475 . . . 1.0 . . . . . . . . . . . . A . 58 LEU CD2 . . . . . . . . . rr_1sso 1 . 1 . 926 . 1 1 58 LEU CG C -10.368 1.079 -4.062 . . . 1.0 . . . . . . . . . . . . A . 58 LEU CG . . . . . . . . . rr_1sso 1 . 1 . 927 . 1 1 58 LEU H H -9.653 2.116 -0.234 . . . 1.0 . . . . . . . . . . . . A . 58 LEU H . . . . . . . . . rr_1sso 1 . 1 . 928 . 1 1 58 LEU HA H -10.161 3.297 -2.781 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HA . . . . . . . . . rr_1sso 1 . 1 . 929 . 1 1 58 LEU HB2 H -9.339 0.893 -2.177 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HB2 . . . . . . . . . rr_1sso 1 . 1 . 930 . 1 1 58 LEU HB3 H -11.059 0.511 -2.105 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HB3 . . . . . . . . . rr_1sso 1 . 1 . 931 . 1 1 58 LEU HD11 H -8.409 1.935 -4.261 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HD11 . . . . . . . . . rr_1sso 1 . 1 . 932 . 1 1 58 LEU HD12 H -8.437 0.171 -4.296 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HD12 . . . . . . . . . rr_1sso 1 . 1 . 933 . 1 1 58 LEU HD13 H -8.981 1.090 -5.700 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HD13 . . . . . . . . . rr_1sso 1 . 1 . 934 . 1 1 58 LEU HD21 H -10.966 -0.951 -3.698 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HD21 . . . . . . . . . rr_1sso 1 . 1 . 935 . 1 1 58 LEU HD22 H -12.132 -0.008 -4.625 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HD22 . . . . . . . . . rr_1sso 1 . 1 . 936 . 1 1 58 LEU HD23 H -10.653 -0.581 -5.394 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HD23 . . . . . . . . . rr_1sso 1 . 1 . 937 . 1 1 58 LEU HG H -10.902 1.931 -4.461 . . . 1.0 . . . . . . . . . . . . A . 58 LEU HG . . . . . . . . . rr_1sso 1 . 1 . 938 . 1 1 58 LEU N N -10.077 2.850 -0.724 . . . 1.0 . . . . . . . . . . . . A . 58 LEU N . . . . . . . . . rr_1sso 1 . 1 . 939 . 1 1 58 LEU O O -12.715 3.150 -3.132 . . . 1.0 . . . . . . . . . . . . A . 58 LEU O . . . . . . . . . rr_1sso 1 . 1 . 940 . 1 1 59 GLU C C -14.563 4.005 0.075 . . . 1.0 . . . . . . . . . . . . A . 59 GLU C . . . . . . . . . rr_1sso 1 . 1 . 941 . 1 1 59 GLU CA C -14.250 2.883 -0.916 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CA . . . . . . . . . rr_1sso 1 . 1 . 942 . 1 1 59 GLU CB C -14.923 1.586 -0.454 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CB . . . . . . . . . rr_1sso 1 . 1 . 943 . 1 1 59 GLU CD C -16.741 0.096 -1.310 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CD . . . . . . . . . rr_1sso 1 . 1 . 944 . 1 1 59 GLU CG C -15.440 0.815 -1.672 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CG . . . . . . . . . rr_1sso 1 . 1 . 945 . 1 1 59 GLU H H -12.278 2.431 -0.180 . . . 1.0 . . . . . . . . . . . . A . 59 GLU H . . . . . . . . . rr_1sso 1 . 1 . 946 . 1 1 59 GLU HA H -14.620 3.154 -1.893 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HA . . . . . . . . . rr_1sso 1 . 1 . 947 . 1 1 59 GLU HB2 H -14.205 0.980 0.079 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HB2 . . . . . . . . . rr_1sso 1 . 1 . 948 . 1 1 59 GLU HB3 H -15.751 1.821 0.198 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HB3 . . . . . . . . . rr_1sso 1 . 1 . 949 . 1 1 59 GLU HG2 H -15.623 1.505 -2.484 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HG2 . . . . . . . . . rr_1sso 1 . 1 . 950 . 1 1 59 GLU HG3 H -14.702 0.088 -1.977 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HG3 . . . . . . . . . rr_1sso 1 . 1 . 951 . 1 1 59 GLU N N -12.773 2.682 -0.983 . . . 1.0 . . . . . . . . . . . . A . 59 GLU N . . . . . . . . . rr_1sso 1 . 1 . 952 . 1 1 59 GLU O O -15.585 3.994 0.735 . . . 1.0 . . . . . . . . . . . . A . 59 GLU O . . . . . . . . . rr_1sso 1 . 1 . 953 . 1 1 59 GLU OE1 O -16.768 -0.552 -0.276 . . . 1.0 . . . . . . . . . . . . A . 59 GLU OE1 . . . . . . . . . rr_1sso 1 . 1 . 954 . 1 1 59 GLU OE2 O -17.687 0.204 -2.072 . . . 1.0 . . . . . . . . . . . . A . 59 GLU OE2 . . . . . . . . . rr_1sso 1 . 1 . 955 . 1 1 60 LYS C C -14.451 7.305 0.333 . . . 1.0 . . . . . . . . . . . . A . 60 LYS C . . . . . . . . . rr_1sso 1 . 1 . 956 . 1 1 60 LYS CA C -13.924 6.104 1.120 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 957 . 1 1 60 LYS CB C -12.605 6.474 1.814 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 958 . 1 1 60 LYS CD C -13.650 6.931 4.038 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 959 . 1 1 60 LYS CE C -14.262 6.140 5.195 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 960 . 1 1 60 LYS CG C -12.655 6.047 3.284 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 961 . 1 1 60 LYS H H -12.877 4.954 -0.369 . . . 1.0 . . . . . . . . . . . . A . 60 LYS H . . . . . . . . . rr_1sso 1 . 1 . 962 . 1 1 60 LYS HA H -14.656 5.810 1.859 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 963 . 1 1 60 LYS HB2 H -11.788 5.967 1.321 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 964 . 1 1 60 LYS HB3 H -12.451 7.542 1.758 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 965 . 1 1 60 LYS HD2 H -13.137 7.799 4.425 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 966 . 1 1 60 LYS HD3 H -14.434 7.246 3.365 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 967 . 1 1 60 LYS HE2 H -15.075 5.532 4.825 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 968 . 1 1 60 LYS HE3 H -13.509 5.504 5.634 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 969 . 1 1 60 LYS HG2 H -12.969 5.015 3.348 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 970 . 1 1 60 LYS HG3 H -11.675 6.154 3.724 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 971 . 1 1 60 LYS HZ1 H -15.310 7.849 5.761 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 972 . 1 1 60 LYS HZ2 H -15.402 6.577 6.883 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 973 . 1 1 60 LYS HZ3 H -13.979 7.490 6.755 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 974 . 1 1 60 LYS N N -13.690 4.972 0.178 . . . 1.0 . . . . . . . . . . . . A . 60 LYS N . . . . . . . . . rr_1sso 1 . 1 . 975 . 1 1 60 LYS NZ N -14.777 7.086 6.226 . . . 1.0 . . . . . . . . . . . . A . 60 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 976 . 1 1 60 LYS O O -13.708 7.980 -0.355 . . . 1.0 . . . . . . . . . . . . A . 60 LYS O . . . . . . . . . rr_1sso 1 . 1 . 977 . 1 1 61 GLN C C -16.754 9.803 0.673 . . . 1.0 . . . . . . . . . . . . A . 61 GLN C . . . . . . . . . rr_1sso 1 . 1 . 978 . 1 1 61 GLN CA C -16.314 8.722 -0.318 . . . 1.0 . . . . . . . . . . . . A . 61 GLN CA . . . . . . . . . rr_1sso 1 . 1 . 979 . 1 1 61 GLN CB C -17.522 8.239 -1.128 . . . 1.0 . . . . . . . . . . . . A . 61 GLN CB . . . . . . . . . rr_1sso 1 . 1 . 980 . 1 1 61 GLN CD C -18.942 9.163 -2.967 . . . 1.0 . . . . . . . . . . . . A . 61 GLN CD . . . . . . . . . rr_1sso 1 . 1 . 981 . 1 1 61 GLN CG C -17.507 8.892 -2.513 . . . 1.0 . . . . . . . . . . . . A . 61 GLN CG . . . . . . . . . rr_1sso 1 . 1 . 982 . 1 1 61 GLN H H -16.304 7.006 0.985 . . . 1.0 . . . . . . . . . . . . A . 61 GLN H . . . . . . . . . rr_1sso 1 . 1 . 983 . 1 1 61 GLN HA H -15.569 9.130 -0.986 . . . 1.0 . . . . . . . . . . . . A . 61 GLN HA . . . . . . . . . rr_1sso 1 . 1 . 984 . 1 1 61 GLN HB2 H -17.475 7.165 -1.237 . . . 1.0 . . . . . . . . . . . . A . 61 GLN HB2 . . . . . . . . . rr_1sso 1 . 1 . 985 . 1 1 61 GLN HB3 H -18.433 8.508 -0.615 . . . 1.0 . . . . . . . . . . . . A . 61 GLN HB3 . . . . . . . . . rr_1sso 1 . 1 . 986 . 1 1 61 GLN HE21 H -18.633 11.104 -3.246 . . . 1.0 . . . . . . . . . . . . A . 61 GLN HE21 . . . . . . . . . rr_1sso 1 . 1 . 987 . 1 1 61 GLN HE22 H -20.206 10.563 -3.588 . . . 1.0 . . . . . . . . . . . . A . 61 GLN HE22 . . . . . . . . . rr_1sso 1 . 1 . 988 . 1 1 61 GLN HG2 H -16.962 9.824 -2.464 . . . 1.0 . . . . . . . . . . . . A . 61 GLN HG2 . . . . . . . . . rr_1sso 1 . 1 . 989 . 1 1 61 GLN HG3 H -17.027 8.231 -3.218 . . . 1.0 . . . . . . . . . . . . A . 61 GLN HG3 . . . . . . . . . rr_1sso 1 . 1 . 990 . 1 1 61 GLN N N -15.729 7.570 0.426 . . . 1.0 . . . . . . . . . . . . A . 61 GLN N . . . . . . . . . rr_1sso 1 . 1 . 991 . 1 1 61 GLN NE2 N -19.289 10.377 -3.294 . . . 1.0 . . . . . . . . . . . . A . 61 GLN NE2 . . . . . . . . . rr_1sso 1 . 1 . 992 . 1 1 61 GLN O O -17.394 9.520 1.669 . . . 1.0 . . . . . . . . . . . . A . 61 GLN O . . . . . . . . . rr_1sso 1 . 1 . 993 . 1 1 61 GLN OE1 O -19.755 8.262 -3.025 . . . 1.0 . . . . . . . . . . . . A . 61 GLN OE1 . . . . . . . . . rr_1sso 1 . 1 . 994 . 1 1 62 LYS C C -18.187 12.677 0.910 . . . 1.0 . . . . . . . . . . . . A . 62 LYS C . . . . . . . . . rr_1sso 1 . 1 . 995 . 1 1 62 LYS CA C -16.812 12.147 1.318 . . . 1.0 . . . . . . . . . . . . A . 62 LYS CA . . . . . . . . . rr_1sso 1 . 1 . 996 . 1 1 62 LYS CB C -15.784 13.275 1.224 . . . 1.0 . . . . . . . . . . . . A . 62 LYS CB . . . . . . . . . rr_1sso 1 . 1 . 997 . 1 1 62 LYS CD C -16.666 15.223 2.517 . . . 1.0 . . . . . . . . . . . . A . 62 LYS CD . . . . . . . . . rr_1sso 1 . 1 . 998 . 1 1 62 LYS CE C -16.985 15.672 3.945 . . . 1.0 . . . . . . . . . . . . A . 62 LYS CE . . . . . . . . . rr_1sso 1 . 1 . 999 . 1 1 62 LYS CG C -15.721 14.021 2.559 . . . 1.0 . . . . . . . . . . . . A . 62 LYS CG . . . . . . . . . rr_1sso 1 . 1 . 1000 . 1 1 62 LYS H H -15.903 11.236 -0.409 . . . 1.0 . . . . . . . . . . . . A . 62 LYS H . . . . . . . . . rr_1sso 1 . 1 . 1001 . 1 1 62 LYS HA H -16.853 11.780 2.332 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HA . . . . . . . . . rr_1sso 1 . 1 . 1002 . 1 1 62 LYS HB2 H -14.813 12.860 0.995 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HB2 . . . . . . . . . rr_1sso 1 . 1 . 1003 . 1 1 62 LYS HB3 H -16.075 13.963 0.443 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HB3 . . . . . . . . . rr_1sso 1 . 1 . 1004 . 1 1 62 LYS HD2 H -16.194 16.034 1.981 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HD2 . . . . . . . . . rr_1sso 1 . 1 . 1005 . 1 1 62 LYS HD3 H -17.581 14.945 2.017 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HD3 . . . . . . . . . rr_1sso 1 . 1 . 1006 . 1 1 62 LYS HE2 H -16.161 15.418 4.594 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HE2 . . . . . . . . . rr_1sso 1 . 1 . 1007 . 1 1 62 LYS HE3 H -17.137 16.741 3.960 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HE3 . . . . . . . . . rr_1sso 1 . 1 . 1008 . 1 1 62 LYS HG2 H -16.017 13.355 3.356 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HG2 . . . . . . . . . rr_1sso 1 . 1 . 1009 . 1 1 62 LYS HG3 H -14.713 14.365 2.732 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HG3 . . . . . . . . . rr_1sso 1 . 1 . 1010 . 1 1 62 LYS HZ1 H -18.914 14.946 3.645 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HZ1 . . . . . . . . . rr_1sso 1 . 1 . 1011 . 1 1 62 LYS HZ2 H -17.988 14.022 4.725 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HZ2 . . . . . . . . . rr_1sso 1 . 1 . 1012 . 1 1 62 LYS HZ3 H -18.625 15.518 5.219 . . . 1.0 . . . . . . . . . . . . A . 62 LYS HZ3 . . . . . . . . . rr_1sso 1 . 1 . 1013 . 1 1 62 LYS N N -16.417 11.038 0.401 . . . 1.0 . . . . . . . . . . . . A . 62 LYS N . . . . . . . . . rr_1sso 1 . 1 . 1014 . 1 1 62 LYS NZ N -18.221 14.988 4.419 . . . 1.0 . . . . . . . . . . . . A . 62 LYS NZ . . . . . . . . . rr_1sso 1 . 1 . 1015 . 1 1 62 LYS O O -19.134 12.434 1.639 . . . 1.0 . . . . . . . . . . . . A . 62 LYS O . . . . . . . . . rr_1sso 1 . 1 . 1016 . 1 1 62 LYS OXT O -18.271 13.316 -0.126 . . . 1.0 . . . . . . . . . . . . A . 62 LYS OXT . . . . . . . . . rr_1sso 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_1sso _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 1sso.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1sso 1 1 1sso.mr . . XPLOR/CNS 2 distance NOE simple 619 rr_1sso 1 1 1sso.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 11 rr_1sso 1 1 1sso.mr . . XPLOR/CNS 4 distance 'hydrogen bond' simple 28 rr_1sso 1 1 1sso.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1sso 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1sso _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_1sso 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 ALA HA H . . . 1 1 2 2 THR H H . . . . . 2.5 0.0 2.7 . . . . . A . 1 ALA HA . . A . 2 THR H . . . 1 . HA . . . . . 2 . HN . . rr_1sso 1 2 1 . . 1 1 2 2 THR H H . . . 1 1 1 1 ALA MB H . . . . . 4.0 0.0 5.3 . . . . . A . 2 THR H . . A . 1 ALA MB . . . 2 . HN . . . . . 1 . HB# . . rr_1sso 1 3 1 . . 1 1 1 1 ALA MB H . . . 1 1 16 16 ILE MG H . . . . . 4.0 0.0 6.6 . . . . . A . 1 ALA MB . . A . 16 ILE MG . . . 1 . HB# . . . . . 16 . HG2# . . rr_1sso 1 4 1 . . 1 1 1 1 ALA MB H . . . 1 1 16 16 ILE MD H . . . . . 4.0 0.0 6.6 . . . . . A . 1 ALA MB . . A . 16 ILE MD . . . 1 . HB# . . . . . 16 . HD1# . . rr_1sso 1 5 1 OR . 1 1 1 1 ALA MB H . . . 1 1 51 51 PRO HB2 H . . . . . 4.0 0.0 6.3 . . . . . A . 1 ALA MB . . A . 51 PRO HB2 . . . 1 . HB# . . . . . 51 . HB# . . rr_1sso 1 5 2 OR . 1 1 1 1 ALA MB H . . . 1 1 51 51 PRO HB3 H . . . . . 4.0 0.0 6.3 . . . . . A . 1 ALA MB . . A . 51 PRO HB3 . . . 1 . HB# . . . . . 51 . HB# . . rr_1sso 1 6 1 OR . 1 1 1 1 ALA MB H . . . 1 1 53 53 GLU HB2 H . . . . . 4.0 0.0 6.3 . . . . . A . 1 ALA MB . . A . 53 GLU HB2 . . . 1 . HB# . . . . . 53 . HB# . . rr_1sso 1 6 2 OR . 1 1 1 1 ALA MB H . . . 1 1 53 53 GLU HB3 H . . . . . 4.0 0.0 6.3 . . . . . A . 1 ALA MB . . A . 53 GLU HB3 . . . 1 . HB# . . . . . 53 . HB# . . rr_1sso 1 7 1 . . 1 1 2 2 THR H H . . . 1 1 2 2 THR HA H . . . . . 4.0 0.0 5.0 . . . . . A . 2 THR H . . A . 2 THR HA . . . 2 . HN . . . . . 2 . HA . . rr_1sso 1 8 1 . . 1 1 2 2 THR H H . . . 1 1 2 2 THR HB H . . . . . 4.0 0.0 5.0 . . . . . A . 2 THR H . . A . 2 THR HB . . . 2 . HN . . . . . 2 . HB . . rr_1sso 1 9 1 . . 1 1 2 2 THR H H . . . 1 1 2 2 THR MG H . . . . . 4.0 0.0 5.3 . . . . . A . 2 THR H . . A . 2 THR MG . . . 2 . HN . . . . . 2 . HG2# . . rr_1sso 1 10 1 . . 1 1 2 2 THR HA H . . . 1 1 2 2 THR HB H . . . . . 4.0 0.0 5.0 . . . . . A . 2 THR HA . . A . 2 THR HB . . . 2 . HA . . . . . 2 . HB . . rr_1sso 1 11 1 . . 1 1 2 2 THR HA H . . . 1 1 2 2 THR MG H . . . . . 4.0 0.0 5.3 . . . . . A . 2 THR HA . . A . 2 THR MG . . . 2 . HA . . . . . 2 . HG2# . . rr_1sso 1 12 1 . . 1 1 2 2 THR HB H . . . 1 1 2 2 THR MG H . . . . . 4.0 0.0 5.3 . . . . . A . 2 THR HB . . A . 2 THR MG . . . 2 . HB . . . . . 2 . HG2# . . rr_1sso 1 13 1 . . 1 1 2 2 THR HA H . . . 1 1 3 3 VAL H H . . . . . 3.0 0.0 3.3 . . . . . A . 2 THR HA . . A . 3 VAL H . . . 2 . HA . . . . . 3 . HN . . rr_1sso 1 14 1 . . 1 1 2 2 THR HB H . . . 1 1 3 3 VAL H H . . . . . 4.0 0.0 5.0 . . . . . A . 2 THR HB . . A . 3 VAL H . . . 2 . HB . . . . . 3 . HN . . rr_1sso 1 15 1 . . 1 1 2 2 THR MG H . . . 1 1 3 3 VAL H H . . . . . 4.0 0.0 6.3 . . . . . A . 2 THR MG . . A . 3 VAL H . . . 2 . HG2# . . . . . 3 . HN . . rr_1sso 1 16 1 OR . 1 1 2 2 THR HB H . . . 1 1 13 13 GLN HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 2 THR HB . . A . 13 GLN HG2 . . . 2 . HB . . . . . 13 . HG# . . rr_1sso 1 16 2 OR . 1 1 2 2 THR HB H . . . 1 1 13 13 GLN HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 2 THR HB . . A . 13 GLN HG3 . . . 2 . HB . . . . . 13 . HG# . . rr_1sso 1 17 1 . . 1 1 2 2 THR MG H . . . 1 1 15 15 ASP HA H . . . . . 4.0 0.0 5.3 . . . . . A . 2 THR MG . . A . 15 ASP HA . . . 2 . HG2# . . . . . 15 . HA . . rr_1sso 1 18 1 . . 1 1 2 2 THR HA H . . . 1 1 16 16 ILE H H . . . . . 4.0 0.0 5.0 . . . . . A . 2 THR HA . . A . 16 ILE H . . . 2 . HA . . . . . 16 . HN . . rr_1sso 1 19 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HA H . . . . . 4.0 0.0 5.0 . . . . . A . 3 VAL H . . A . 3 VAL HA . . . 3 . HN . . . . . 3 . HA . . rr_1sso 1 20 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HB H . . . . . 4.0 0.0 5.0 . . . . . A . 3 VAL H . . A . 3 VAL HB . . . 3 . HN . . . . . 3 . HB . . rr_1sso 1 21 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG2 H . . . . . 4.0 0.0 6.3 . . . . . A . 3 VAL H . . A . 3 VAL MG2 . . . 3 . HN . . . . . 3 . HG2# . . rr_1sso 1 22 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG1 H . . . . . 4.0 0.0 5.3 . . . . . A . 3 VAL H . . A . 3 VAL MG1 . . . 3 . HN . . . . . 3 . HG1# . . rr_1sso 1 23 1 . . 1 1 3 3 VAL HA H . . . 1 1 4 4 LYS H H . . . . . 2.5 0.0 2.7 . . . . . A . 3 VAL HA . . A . 4 LYS H . . . 3 . HA . . . . . 4 . HN . . rr_1sso 1 24 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 4 4 LYS H H . . . . . 4.0 0.0 5.3 . . . . . A . 3 VAL MG2 . . A . 4 LYS H . . . 3 . HG2# . . . . . 4 . HN . . rr_1sso 1 25 1 . . 1 1 3 3 VAL MG1 H . . . 1 1 4 4 LYS H H . . . . . 4.0 0.0 5.3 . . . . . A . 3 VAL MG1 . . A . 4 LYS H . . . 3 . HG1# . . . . . 4 . HN . . rr_1sso 1 26 1 . . 1 1 3 3 VAL HB H . . . 1 1 5 5 PHE QE H . . . . . 4.0 0.0 7.0 . . . . . A . 3 VAL HB . . A . 5 PHE QE . . . 3 . HB . . . . . 5 . HE# . . rr_1sso 1 27 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 5 5 PHE QE H . . . . . 4.0 0.0 7.3 . . . . . A . 3 VAL MG2 . . A . 5 PHE QE . . . 3 . HG2# . . . . . 5 . HE# . . rr_1sso 1 28 1 . . 1 1 3 3 VAL MG1 H . . . 1 1 5 5 PHE QE H . . . . . 4.0 0.0 7.3 . . . . . A . 3 VAL MG1 . . A . 5 PHE QE . . . 3 . HG1# . . . . . 5 . HE# . . rr_1sso 1 29 1 . . 1 1 3 3 VAL H H . . . 1 1 14 14 VAL H H . . . . . 4.0 0.0 5.0 . . . . . A . 3 VAL H . . A . 14 VAL H . . . 3 . HN . . . . . 14 . HN . . rr_1sso 1 30 1 OR . 1 1 3 3 VAL MG1 H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 8.7 . . . . . A . 3 VAL MG1 . . A . 14 VAL MG1 . . . 3 . HG1# . . . . . 14 . HG# . . rr_1sso 1 30 2 OR . 1 1 3 3 VAL MG1 H . . . 1 1 14 14 VAL MG2 H . . . . . 4.0 0.0 8.7 . . . . . A . 3 VAL MG1 . . A . 14 VAL MG2 . . . 3 . HG1# . . . . . 14 . HG# . . rr_1sso 1 31 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 19 19 ILE MD H . . . . . 4.0 0.0 5.6 . . . . . A . 3 VAL MG2 . . A . 19 ILE MD . . . 3 . HG2# . . . . . 19 . HD1# . . rr_1sso 1 32 1 . . 1 1 3 3 VAL MG1 H . . . 1 1 19 19 ILE MD H . . . . . 4.0 0.0 6.6 . . . . . A . 3 VAL MG1 . . A . 19 ILE MD . . . 3 . HG1# . . . . . 19 . HD1# . . rr_1sso 1 33 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 31 31 PHE HZ H . . . . . 4.0 0.0 6.3 . . . . . A . 3 VAL MG2 . . A . 31 PHE HZ . . . 3 . HG2# . . . . . 31 . HZ . . rr_1sso 1 34 1 . . 1 1 3 3 VAL MG2 H . . . 1 1 31 31 PHE QE H . . . . . 4.0 0.0 7.3 . . . . . A . 3 VAL MG2 . . A . 31 PHE QE . . . 3 . HG2# . . . . . 31 . HE# . . rr_1sso 1 35 1 . . 1 1 3 3 VAL MG1 H . . . 1 1 31 31 PHE HZ H . . . . . 4.0 0.0 5.3 . . . . . A . 3 VAL MG1 . . A . 31 PHE HZ . . . 3 . HG1# . . . . . 31 . HZ . . rr_1sso 1 36 1 . . 1 1 3 3 VAL MG1 H . . . 1 1 31 31 PHE QE H . . . . . 4.0 0.0 7.3 . . . . . A . 3 VAL MG1 . . A . 31 PHE QE . . . 3 . HG1# . . . . . 31 . HE# . . rr_1sso 1 37 1 OR . 1 1 3 3 VAL MG2 H . . . 1 1 51 51 PRO HD2 H . . . . . 4.0 0.0 7.3 . . . . . A . 3 VAL MG2 . . A . 51 PRO HD2 . . . 3 . HG2# . . . . . 51 . HD# . . rr_1sso 1 37 2 OR . 1 1 3 3 VAL MG2 H . . . 1 1 51 51 PRO HD3 H . . . . . 4.0 0.0 7.3 . . . . . A . 3 VAL MG2 . . A . 51 PRO HD3 . . . 3 . HG2# . . . . . 51 . HD# . . rr_1sso 1 38 1 OR . 1 1 3 3 VAL MG1 H . . . 1 1 51 51 PRO HD2 H . . . . . 4.0 0.0 6.3 . . . . . A . 3 VAL MG1 . . A . 51 PRO HD2 . . . 3 . HG1# . . . . . 51 . HD# . . rr_1sso 1 38 2 OR . 1 1 3 3 VAL MG1 H . . . 1 1 51 51 PRO HD3 H . . . . . 4.0 0.0 6.3 . . . . . A . 3 VAL MG1 . . A . 51 PRO HD3 . . . 3 . HG1# . . . . . 51 . HD# . . rr_1sso 1 39 1 . . 1 1 4 4 LYS H H . . . 1 1 4 4 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 4 LYS H . . A . 4 LYS HA . . . 4 . HN . . . . . 4 . HA . . rr_1sso 1 40 1 . . 1 1 4 4 LYS HA H . . . 1 1 5 5 PHE H H . . . . . 2.5 0.0 2.7 . . . . . A . 4 LYS HA . . A . 5 PHE H . . . 4 . HA . . . . . 5 . HN . . rr_1sso 1 41 1 . . 1 1 4 4 LYS HA H . . . 1 1 5 5 PHE QD H . . . . . 3.0 0.0 5.3 . . . . . A . 4 LYS HA . . A . 5 PHE QD . . . 4 . HA . . . . . 5 . HD# . . rr_1sso 1 42 1 . . 1 1 4 4 LYS HA H . . . 1 1 13 13 GLN HA H . . . . . 2.5 0.0 2.7 . . . . . A . 4 LYS HA . . A . 13 GLN HA . . . 4 . HA . . . . . 13 . HA . . rr_1sso 1 43 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HA H . . . . . 4.0 0.0 5.0 . . . . . A . 5 PHE H . . A . 5 PHE HA . . . 5 . HN . . . . . 5 . HA . . rr_1sso 1 44 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB3 H . . . . . 4.0 0.0 5.0 . . . . . A . 5 PHE H . . A . 5 PHE HB3 . . . 5 . HN . . . . . 5 . HB1 . . rr_1sso 1 45 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB2 H . . . . . 4.0 0.0 5.0 . . . . . A . 5 PHE H . . A . 5 PHE HB2 . . . 5 . HN . . . . . 5 . HB2 . . rr_1sso 1 46 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE QD H . . . . . 3.0 0.0 5.3 . . . . . A . 5 PHE H . . A . 5 PHE QD . . . 5 . HN . . . . . 5 . HD# . . rr_1sso 1 47 1 . . 1 1 5 5 PHE HA H . . . 1 1 5 5 PHE HB3 H . . . . . 2.5 0.0 2.7 . . . . . A . 5 PHE HA . . A . 5 PHE HB3 . . . 5 . HA . . . . . 5 . HB1 . . rr_1sso 1 48 1 . . 1 1 5 5 PHE HA H . . . 1 1 5 5 PHE HB2 H . . . . . 2.5 0.0 2.7 . . . . . A . 5 PHE HA . . A . 5 PHE HB2 . . . 5 . HA . . . . . 5 . HB2 . . rr_1sso 1 49 1 . . 1 1 5 5 PHE QD H . . . 1 1 5 5 PHE HA H . . . . . 3.0 0.0 5.3 . . . . . A . 5 PHE QD . . A . 5 PHE HA . . . 5 . HD# . . . . . 5 . HA . . rr_1sso 1 50 1 . . 1 1 5 5 PHE QD H . . . 1 1 5 5 PHE HB3 H . . . . . 2.5 0.0 4.7 . . . . . A . 5 PHE QD . . A . 5 PHE HB3 . . . 5 . HD# . . . . . 5 . HB1 . . rr_1sso 1 51 1 . . 1 1 5 5 PHE QD H . . . 1 1 5 5 PHE HB2 H . . . . . 2.5 0.0 4.7 . . . . . A . 5 PHE QD . . A . 5 PHE HB2 . . . 5 . HD# . . . . . 5 . HB2 . . rr_1sso 1 52 1 . . 1 1 5 5 PHE HA H . . . 1 1 6 6 LYS H H . . . . . 2.5 0.0 2.7 . . . . . A . 5 PHE HA . . A . 6 LYS H . . . 5 . HA . . . . . 6 . HN . . rr_1sso 1 53 1 . . 1 1 5 5 PHE HB3 H . . . 1 1 6 6 LYS H H . . . . . 3.0 0.0 3.3 . . . . . A . 5 PHE HB3 . . A . 6 LYS H . . . 5 . HB1 . . . . . 6 . HN . . rr_1sso 1 54 1 . . 1 1 5 5 PHE HB2 H . . . 1 1 6 6 LYS H H . . . . . 3.0 0.0 3.3 . . . . . A . 5 PHE HB2 . . A . 6 LYS H . . . 5 . HB2 . . . . . 6 . HN . . rr_1sso 1 55 1 . . 1 1 5 5 PHE QD H . . . 1 1 6 6 LYS H H . . . . . 4.0 0.0 7.0 . . . . . A . 5 PHE QD . . A . 6 LYS H . . . 5 . HD# . . . . . 6 . HN . . rr_1sso 1 56 1 . . 1 1 5 5 PHE QD H . . . 1 1 7 7 TYR HB2 H . . . . . 4.0 0.0 7.0 . . . . . A . 5 PHE QD . . A . 7 TYR HB2 . . . 5 . HD# . . . . . 7 . HB2 . . rr_1sso 1 57 1 . . 1 1 5 5 PHE QE H . . . 1 1 7 7 TYR QD H . . . . . 4.0 0.0 9.0 . . . . . A . 5 PHE QE . . A . 7 TYR QD . . . 5 . HE# . . . . . 7 . HD# . . rr_1sso 1 58 1 . . 1 1 5 5 PHE H H . . . 1 1 12 12 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 5 PHE H . . A . 12 LYS H . . . 5 . HN . . . . . 12 . HN . . rr_1sso 1 59 1 OR . 1 1 5 5 PHE HZ H . . . 1 1 12 12 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 5 PHE HZ . . A . 12 LYS HB2 . . . 5 . HZ . . . . . 12 . HB# . . rr_1sso 1 59 2 OR . 1 1 5 5 PHE HZ H . . . 1 1 12 12 LYS HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 5 PHE HZ . . A . 12 LYS HB3 . . . 5 . HZ . . . . . 12 . HB# . . rr_1sso 1 60 1 OR . 1 1 5 5 PHE QE H . . . 1 1 12 12 LYS HB2 H . . . . . 2.5 0.0 5.7 . . . . . A . 5 PHE QE . . A . 12 LYS HB2 . . . 5 . HE# . . . . . 12 . HB# . . rr_1sso 1 60 2 OR . 1 1 5 5 PHE QE H . . . 1 1 12 12 LYS HB3 H . . . . . 2.5 0.0 5.7 . . . . . A . 5 PHE QE . . A . 12 LYS HB3 . . . 5 . HE# . . . . . 12 . HB# . . rr_1sso 1 61 1 OR . 1 1 5 5 PHE QE H . . . 1 1 12 12 LYS HG2 H . . . . . 3.0 0.0 6.3 . . . . . A . 5 PHE QE . . A . 12 LYS HG2 . . . 5 . HE# . . . . . 12 . HG# . . rr_1sso 1 61 2 OR . 1 1 5 5 PHE QE H . . . 1 1 12 12 LYS HG3 H . . . . . 3.0 0.0 6.3 . . . . . A . 5 PHE QE . . A . 12 LYS HG3 . . . 5 . HE# . . . . . 12 . HG# . . rr_1sso 1 62 1 OR . 1 1 5 5 PHE QE H . . . 1 1 12 12 LYS HD2 H . . . . . 3.0 0.0 6.3 . . . . . A . 5 PHE QE . . A . 12 LYS HD2 . . . 5 . HE# . . . . . 12 . HD# . . rr_1sso 1 62 2 OR . 1 1 5 5 PHE QE H . . . 1 1 12 12 LYS HD3 H . . . . . 3.0 0.0 6.3 . . . . . A . 5 PHE QE . . A . 12 LYS HD3 . . . 5 . HE# . . . . . 12 . HD# . . rr_1sso 1 63 1 . . 1 1 5 5 PHE QE H . . . 1 1 13 13 GLN H H . . . . . 4.0 0.0 8.0 . . . . . A . 5 PHE QE . . A . 13 GLN H . . . 5 . HE# . . . . . 13 . HN . . rr_1sso 1 64 1 . . 1 1 5 5 PHE QE H . . . 1 1 13 13 GLN HA H . . . . . 3.0 0.0 5.3 . . . . . A . 5 PHE QE . . A . 13 GLN HA . . . 5 . HE# . . . . . 13 . HA . . rr_1sso 1 65 1 OR . 1 1 5 5 PHE HZ H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 5 PHE HZ . . A . 14 VAL MG1 . . . 5 . HZ . . . . . 14 . HG# . . rr_1sso 1 65 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 5 5 PHE HZ H . . . . . 4.0 0.0 7.4 . . . . . A . 14 VAL MG2 . . A . 5 PHE HZ . . . 14 . HG# . . . . . 5 . HZ . . rr_1sso 1 66 1 . . 1 1 5 5 PHE QE H . . . 1 1 14 14 VAL H H . . . . . 4.0 0.0 7.0 . . . . . A . 5 PHE QE . . A . 14 VAL H . . . 5 . HE# . . . . . 14 . HN . . rr_1sso 1 67 1 . . 1 1 5 5 PHE QE H . . . 1 1 14 14 VAL HA H . . . . . 4.0 0.0 7.0 . . . . . A . 5 PHE QE . . A . 14 VAL HA . . . 5 . HE# . . . . . 14 . HA . . rr_1sso 1 68 1 OR . 1 1 5 5 PHE QE H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 9.4 . . . . . A . 5 PHE QE . . A . 14 VAL MG1 . . . 5 . HE# . . . . . 14 . HG# . . rr_1sso 1 68 2 OR . 1 1 5 5 PHE QE H . . . 1 1 14 14 VAL MG2 H . . . . . 4.0 0.0 9.4 . . . . . A . 5 PHE QE . . A . 14 VAL MG2 . . . 5 . HE# . . . . . 14 . HG# . . rr_1sso 1 69 1 . . 1 1 31 31 PHE QE H . . . 1 1 5 5 PHE HZ H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QE . . A . 5 PHE HZ . . . 31 . HE# . . . . . 5 . HZ . . rr_1sso 1 70 1 . . 1 1 5 5 PHE QE H . . . 1 1 31 31 PHE HZ H . . . . . 3.0 0.0 5.3 . . . . . A . 5 PHE QE . . A . 31 PHE HZ . . . 5 . HE# . . . . . 31 . HZ . . rr_1sso 1 71 1 . . 1 1 5 5 PHE QE H . . . 1 1 31 31 PHE QE H . . . . . 4.0 0.0 9.0 . . . . . A . 5 PHE QE . . A . 31 PHE QE . . . 5 . HE# . . . . . 31 . HE# . . rr_1sso 1 72 1 . . 1 1 5 5 PHE HZ H . . . 1 1 33 33 TYR QD H . . . . . 4.0 0.0 7.0 . . . . . A . 5 PHE HZ . . A . 33 TYR QD . . . 5 . HZ . . . . . 33 . HD# . . rr_1sso 1 73 1 . . 1 1 5 5 PHE HZ H . . . 1 1 33 33 TYR QE H . . . . . 3.0 0.0 5.3 . . . . . A . 5 PHE HZ . . A . 33 TYR QE . . . 5 . HZ . . . . . 33 . HE# . . rr_1sso 1 74 1 . . 1 1 5 5 PHE QE H . . . 1 1 33 33 TYR QD H . . . . . 4.0 0.0 9.0 . . . . . A . 5 PHE QE . . A . 33 TYR QD . . . 5 . HE# . . . . . 33 . HD# . . rr_1sso 1 75 1 . . 1 1 5 5 PHE QE H . . . 1 1 33 33 TYR QE H . . . . . 4.0 0.0 9.0 . . . . . A . 5 PHE QE . . A . 33 TYR QE . . . 5 . HE# . . . . . 33 . HE# . . rr_1sso 1 76 1 . . 1 1 5 5 PHE QD H . . . 1 1 43 43 GLY H H . . . . . 4.0 0.0 8.0 . . . . . A . 5 PHE QD . . A . 43 GLY H . . . 5 . HD# . . . . . 43 . HN . . rr_1sso 1 77 1 OR . 1 1 5 5 PHE QD H . . . 1 1 43 43 GLY HA2 H . . . . . 4.0 0.0 8.0 . . . . . A . 5 PHE QD . . A . 43 GLY HA2 . . . 5 . HD# . . . . . 43 . HA# . . rr_1sso 1 77 2 OR . 1 1 5 5 PHE QD H . . . 1 1 43 43 GLY HA3 H . . . . . 4.0 0.0 8.0 . . . . . A . 5 PHE QD . . A . 43 GLY HA3 . . . 5 . HD# . . . . . 43 . HA# . . rr_1sso 1 78 1 OR . 1 1 5 5 PHE QE H . . . 1 1 43 43 GLY HA2 H . . . . . 3.0 0.0 6.3 . . . . . A . 5 PHE QE . . A . 43 GLY HA2 . . . 5 . HE# . . . . . 43 . HA# . . rr_1sso 1 78 2 OR . 1 1 5 5 PHE QE H . . . 1 1 43 43 GLY HA3 H . . . . . 3.0 0.0 6.3 . . . . . A . 5 PHE QE . . A . 43 GLY HA3 . . . 5 . HE# . . . . . 43 . HA# . . rr_1sso 1 79 1 . . 1 1 5 5 PHE QE H . . . 1 1 44 44 ALA H H . . . . . 4.0 0.0 7.0 . . . . . A . 5 PHE QE . . A . 44 ALA H . . . 5 . HE# . . . . . 44 . HN . . rr_1sso 1 80 1 . . 1 1 5 5 PHE HA H . . . 1 1 45 45 VAL MG1 H . . . . . 4.0 0.0 5.3 . . . . . A . 5 PHE HA . . A . 45 VAL MG1 . . . 5 . HA . . . . . 45 . HG1# . . rr_1sso 1 81 1 . . 1 1 5 5 PHE HA H . . . 1 1 45 45 VAL MG2 H . . . . . 4.0 0.0 5.3 . . . . . A . 5 PHE HA . . A . 45 VAL MG2 . . . 5 . HA . . . . . 45 . HG2# . . rr_1sso 1 82 1 . . 1 1 5 5 PHE HB3 H . . . 1 1 45 45 VAL MG2 H . . . . . 4.0 0.0 5.3 . . . . . A . 5 PHE HB3 . . A . 45 VAL MG2 . . . 5 . HB1 . . . . . 45 . HG2# . . rr_1sso 1 83 1 . . 1 1 5 5 PHE HB2 H . . . 1 1 45 45 VAL MG2 H . . . . . 4.0 0.0 5.3 . . . . . A . 5 PHE HB2 . . A . 45 VAL MG2 . . . 5 . HB2 . . . . . 45 . HG2# . . rr_1sso 1 84 1 . . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HA H . . . . . 2.5 0.0 2.7 . . . . . A . 6 LYS H . . A . 6 LYS HA . . . 6 . HN . . . . . 6 . HA . . rr_1sso 1 85 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 . HN . . . . . 6 . HB# . . rr_1sso 1 85 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 6 LYS H . . A . 6 LYS HB3 . . . 6 . HN . . . . . 6 . HB# . . rr_1sso 1 86 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 6 LYS H . . A . 6 LYS HG2 . . . 6 . HN . . . . . 6 . HG# . . rr_1sso 1 86 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 6 LYS H . . A . 6 LYS HG3 . . . 6 . HN . . . . . 6 . HG# . . rr_1sso 1 87 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD2 H . . . . . 4.0 0.0 7.0 . . . . . A . 6 LYS H . . A . 6 LYS HD2 . . . 6 . HN . . . . . 6 . HD# . . rr_1sso 1 87 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD3 H . . . . . 4.0 0.0 7.0 . . . . . A . 6 LYS H . . A . 6 LYS HD3 . . . 6 . HN . . . . . 6 . HD# . . rr_1sso 1 88 1 . . 1 1 6 6 LYS HA H . . . 1 1 7 7 TYR H H . . . . . 2.5 0.0 2.7 . . . . . A . 6 LYS HA . . A . 7 TYR H . . . 6 . HA . . . . . 7 . HN . . rr_1sso 1 89 1 OR . 1 1 7 7 TYR H H . . . 1 1 6 6 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 7 TYR H . . A . 6 LYS HB2 . . . 7 . HN . . . . . 6 . HB# . . rr_1sso 1 89 2 OR . 1 1 6 6 LYS HB3 H . . . 1 1 7 7 TYR H H . . . . . 4.0 0.0 6.0 . . . . . A . 6 LYS HB3 . . A . 7 TYR H . . . 6 . HB# . . . . . 7 . HN . . rr_1sso 1 90 1 OR . 1 1 7 7 TYR H H . . . 1 1 6 6 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 7 TYR H . . A . 6 LYS HG2 . . . 7 . HN . . . . . 6 . HG# . . rr_1sso 1 90 2 OR . 1 1 6 6 LYS HG3 H . . . 1 1 7 7 TYR H H . . . . . 4.0 0.0 6.0 . . . . . A . 6 LYS HG3 . . A . 7 TYR H . . . 6 . HG# . . . . . 7 . HN . . rr_1sso 1 91 1 . . 1 1 6 6 LYS HA H . . . 1 1 10 10 GLU H H . . . . . 4.0 0.0 5.0 . . . . . A . 6 LYS HA . . A . 10 GLU H . . . 6 . HA . . . . . 10 . HN . . rr_1sso 1 92 1 . . 1 1 6 6 LYS HA H . . . 1 1 11 11 GLU HA H . . . . . 2.5 0.0 2.7 . . . . . A . 6 LYS HA . . A . 11 GLU HA . . . 6 . HA . . . . . 11 . HA . . rr_1sso 1 93 1 . . 1 1 12 12 LYS H H . . . 1 1 6 6 LYS HA H . . . . . 3.0 0.0 3.3 . . . . . A . 12 LYS H . . A . 6 LYS HA . . . 12 . HN . . . . . 6 . HA . . rr_1sso 1 94 1 . . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HA H . . . . . 4.0 0.0 5.0 . . . . . A . 7 TYR H . . A . 7 TYR HA . . . 7 . HN . . . . . 7 . HA . . rr_1sso 1 95 1 . . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HB3 H . . . . . 4.0 0.0 5.0 . . . . . A . 7 TYR H . . A . 7 TYR HB3 . . . 7 . HN . . . . . 7 . HB1 . . rr_1sso 1 96 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 7 7 TYR H H . . . . . 4.0 0.0 5.0 . . . . . A . 7 TYR HB2 . . A . 7 TYR H . . . 7 . HB2 . . . . . 7 . HN . . rr_1sso 1 97 1 . . 1 1 7 7 TYR QD H . . . 1 1 7 7 TYR H H . . . . . 4.0 0.0 7.0 . . . . . A . 7 TYR QD . . A . 7 TYR H . . . 7 . HD# . . . . . 7 . HN . . rr_1sso 1 98 1 . . 1 1 7 7 TYR QD H . . . 1 1 7 7 TYR HA H . . . . . 3.0 0.0 5.3 . . . . . A . 7 TYR QD . . A . 7 TYR HA . . . 7 . HD# . . . . . 7 . HA . . rr_1sso 1 99 1 . . 1 1 7 7 TYR QD H . . . 1 1 7 7 TYR HB3 H . . . . . 3.0 0.0 5.3 . . . . . A . 7 TYR QD . . A . 7 TYR HB3 . . . 7 . HD# . . . . . 7 . HB1 . . rr_1sso 1 100 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 7 7 TYR QD H . . . . . 2.5 0.0 4.7 . . . . . A . 7 TYR HB2 . . A . 7 TYR QD . . . 7 . HB2 . . . . . 7 . HD# . . rr_1sso 1 101 1 . . 1 1 7 7 TYR HA H . . . 1 1 8 8 LYS H H . . . . . 3.0 0.0 3.3 . . . . . A . 7 TYR HA . . A . 8 LYS H . . . 7 . HA . . . . . 8 . HN . . rr_1sso 1 102 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 8 8 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 7 TYR HB3 . . A . 8 LYS H . . . 7 . HB1 . . . . . 8 . HN . . rr_1sso 1 103 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 8 8 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 7 TYR HB2 . . A . 8 LYS H . . . 7 . HB2 . . . . . 8 . HN . . rr_1sso 1 104 1 . . 1 1 7 7 TYR QD H . . . 1 1 8 8 LYS H H . . . . . 4.0 0.0 7.0 . . . . . A . 7 TYR QD . . A . 8 LYS H . . . 7 . HD# . . . . . 8 . HN . . rr_1sso 1 105 1 OR . 1 1 7 7 TYR QD H . . . 1 1 8 8 LYS HG2 H . . . . . 4.0 0.0 8.0 . . . . . A . 7 TYR QD . . A . 8 LYS HG2 . . . 7 . HD# . . . . . 8 . HG# . . rr_1sso 1 105 2 OR . 1 1 7 7 TYR QD H . . . 1 1 8 8 LYS HG3 H . . . . . 4.0 0.0 8.0 . . . . . A . 7 TYR QD . . A . 8 LYS HG3 . . . 7 . HD# . . . . . 8 . HG# . . rr_1sso 1 106 1 . . 1 1 7 7 TYR H H . . . 1 1 10 10 GLU H H . . . . . 4.0 0.0 5.0 . . . . . A . 7 TYR H . . A . 10 GLU H . . . 7 . HN . . . . . 10 . HN . . rr_1sso 1 107 1 . . 1 1 7 7 TYR H H . . . 1 1 11 11 GLU HA H . . . . . 4.0 0.0 5.0 . . . . . A . 7 TYR H . . A . 11 GLU HA . . . 7 . HN . . . . . 11 . HA . . rr_1sso 1 108 1 . . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HA H . . . . . 3.0 0.0 3.3 . . . . . A . 8 LYS H . . A . 8 LYS HA . . . 8 . HN . . . . . 8 . HA . . rr_1sso 1 109 1 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 8 LYS H . . A . 8 LYS HB2 . . . 8 . HN . . . . . 8 . HB# . . rr_1sso 1 109 2 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 8 LYS H . . A . 8 LYS HB3 . . . 8 . HN . . . . . 8 . HB# . . rr_1sso 1 110 1 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 8 LYS H . . A . 8 LYS HG2 . . . 8 . HN . . . . . 8 . HG# . . rr_1sso 1 110 2 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 8 LYS H . . A . 8 LYS HG3 . . . 8 . HN . . . . . 8 . HG# . . rr_1sso 1 111 1 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HD2 H . . . . . 4.0 0.0 6.0 . . . . . A . 8 LYS H . . A . 8 LYS HD2 . . . 8 . HN . . . . . 8 . HD# . . rr_1sso 1 111 2 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HD3 H . . . . . 4.0 0.0 6.0 . . . . . A . 8 LYS H . . A . 8 LYS HD3 . . . 8 . HN . . . . . 8 . HD# . . rr_1sso 1 112 1 . . 1 1 8 8 LYS H H . . . 1 1 9 9 GLY H H . . . . . 4.0 0.0 5.0 . . . . . A . 8 LYS H . . A . 9 GLY H . . . 8 . HN . . . . . 9 . HN . . rr_1sso 1 113 1 . . 1 1 8 8 LYS HA H . . . 1 1 9 9 GLY H H . . . . . 3.0 0.0 3.3 . . . . . A . 8 LYS HA . . A . 9 GLY H . . . 8 . HA . . . . . 9 . HN . . rr_1sso 1 114 1 OR . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA2 H . . . . . 3.0 0.0 4.3 . . . . . A . 9 GLY H . . A . 9 GLY HA2 . . . 9 . HN . . . . . 9 . HA# . . rr_1sso 1 114 2 OR . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA3 H . . . . . 3.0 0.0 4.3 . . . . . A . 9 GLY H . . A . 9 GLY HA3 . . . 9 . HN . . . . . 9 . HA# . . rr_1sso 1 115 1 . . 1 1 10 10 GLU H H . . . 1 1 9 9 GLY H H . . . . . 4.0 0.0 5.0 . . . . . A . 10 GLU H . . A . 9 GLY H . . . 10 . HN . . . . . 9 . HN . . rr_1sso 1 116 1 OR . 1 1 10 10 GLU H H . . . 1 1 9 9 GLY HA2 H . . . . . 4.0 0.0 6.0 . . . . . A . 10 GLU H . . A . 9 GLY HA2 . . . 10 . HN . . . . . 9 . HA# . . rr_1sso 1 116 2 OR . 1 1 10 10 GLU H H . . . 1 1 9 9 GLY HA3 H . . . . . 4.0 0.0 6.0 . . . . . A . 10 GLU H . . A . 9 GLY HA3 . . . 10 . HN . . . . . 9 . HA# . . rr_1sso 1 117 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HA H . . . . . 4.0 0.0 5.0 . . . . . A . 10 GLU H . . A . 10 GLU HA . . . 10 . HN . . . . . 10 . HA . . rr_1sso 1 118 1 OR . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 10 GLU H . . A . 10 GLU HB2 . . . 10 . HN . . . . . 10 . HB# . . rr_1sso 1 118 2 OR . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 10 GLU H . . A . 10 GLU HB3 . . . 10 . HN . . . . . 10 . HB# . . rr_1sso 1 119 1 OR . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 10 GLU H . . A . 10 GLU HG2 . . . 10 . HN . . . . . 10 . HG# . . rr_1sso 1 119 2 OR . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 10 GLU H . . A . 10 GLU HG3 . . . 10 . HN . . . . . 10 . HG# . . rr_1sso 1 120 1 . . 1 1 10 10 GLU HA H . . . 1 1 11 11 GLU H H . . . . . 2.5 0.0 2.7 . . . . . A . 10 GLU HA . . A . 11 GLU H . . . 10 . HA . . . . . 11 . HN . . rr_1sso 1 121 1 . . 1 1 11 11 GLU HA H . . . 1 1 11 11 GLU H H . . . . . 3.0 0.0 3.3 . . . . . A . 11 GLU HA . . A . 11 GLU H . . . 11 . HA . . . . . 11 . HN . . rr_1sso 1 122 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 11 GLU H . . A . 11 GLU HB2 . . . 11 . HN . . . . . 11 . HB# . . rr_1sso 1 122 2 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 11 GLU H . . A . 11 GLU HB3 . . . 11 . HN . . . . . 11 . HB# . . rr_1sso 1 123 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 11 GLU H . . A . 11 GLU HG2 . . . 11 . HN . . . . . 11 . HG# . . rr_1sso 1 123 2 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 11 GLU H . . A . 11 GLU HG3 . . . 11 . HN . . . . . 11 . HG# . . rr_1sso 1 124 1 . . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HA H . . . . . 2.5 0.0 2.7 . . . . . A . 12 LYS H . . A . 12 LYS HA . . . 12 . HN . . . . . 12 . HA . . rr_1sso 1 125 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 12 LYS H . . A . 12 LYS HB2 . . . 12 . HN . . . . . 12 . HB# . . rr_1sso 1 125 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 12 LYS H . . A . 12 LYS HB3 . . . 12 . HN . . . . . 12 . HB# . . rr_1sso 1 126 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 12 LYS H . . A . 12 LYS HG2 . . . 12 . HN . . . . . 12 . HG# . . rr_1sso 1 126 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 12 LYS H . . A . 12 LYS HG3 . . . 12 . HN . . . . . 12 . HG# . . rr_1sso 1 127 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HD2 H . . . . . 4.0 0.0 6.0 . . . . . A . 12 LYS H . . A . 12 LYS HD2 . . . 12 . HN . . . . . 12 . HD# . . rr_1sso 1 127 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HD3 H . . . . . 4.0 0.0 6.0 . . . . . A . 12 LYS H . . A . 12 LYS HD3 . . . 12 . HN . . . . . 12 . HD# . . rr_1sso 1 128 1 . . 1 1 13 13 GLN H H . . . 1 1 12 12 LYS HA H . . . . . 2.5 0.0 2.7 . . . . . A . 13 GLN H . . A . 12 LYS HA . . . 13 . HN . . . . . 12 . HA . . rr_1sso 1 129 1 OR . 1 1 13 13 GLN H H . . . 1 1 12 12 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 13 GLN H . . A . 12 LYS HB2 . . . 13 . HN . . . . . 12 . HB# . . rr_1sso 1 129 2 OR . 1 1 12 12 LYS HB3 H . . . 1 1 13 13 GLN H H . . . . . 4.0 0.0 6.0 . . . . . A . 12 LYS HB3 . . A . 13 GLN H . . . 12 . HB# . . . . . 13 . HN . . rr_1sso 1 130 1 OR . 1 1 13 13 GLN H H . . . 1 1 12 12 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 13 GLN H . . A . 12 LYS HG2 . . . 13 . HN . . . . . 12 . HG# . . rr_1sso 1 130 2 OR . 1 1 12 12 LYS HG3 H . . . 1 1 13 13 GLN H H . . . . . 4.0 0.0 6.0 . . . . . A . 12 LYS HG3 . . A . 13 GLN H . . . 12 . HG# . . . . . 13 . HN . . rr_1sso 1 131 1 OR . 1 1 13 13 GLN H H . . . 1 1 12 12 LYS HD2 H . . . . . 4.0 0.0 6.0 . . . . . A . 13 GLN H . . A . 12 LYS HD2 . . . 13 . HN . . . . . 12 . HD# . . rr_1sso 1 131 2 OR . 1 1 12 12 LYS HD3 H . . . 1 1 13 13 GLN H H . . . . . 4.0 0.0 6.0 . . . . . A . 12 LYS HD3 . . A . 13 GLN H . . . 12 . HD# . . . . . 13 . HN . . rr_1sso 1 132 1 . . 1 1 13 13 GLN HA H . . . 1 1 13 13 GLN H H . . . . . 4.0 0.0 5.0 . . . . . A . 13 GLN HA . . A . 13 GLN H . . . 13 . HA . . . . . 13 . HN . . rr_1sso 1 133 1 . . 1 1 14 14 VAL H H . . . 1 1 13 13 GLN H H . . . . . 4.0 0.0 5.0 . . . . . A . 14 VAL H . . A . 13 GLN H . . . 14 . HN . . . . . 13 . HN . . rr_1sso 1 134 1 . . 1 1 14 14 VAL H H . . . 1 1 13 13 GLN HA H . . . . . 2.5 0.0 2.7 . . . . . A . 14 VAL H . . A . 13 GLN HA . . . 14 . HN . . . . . 13 . HA . . rr_1sso 1 135 1 . . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL HA H . . . . . 3.0 0.0 3.3 . . . . . A . 14 VAL H . . A . 14 VAL HA . . . 14 . HN . . . . . 14 . HA . . rr_1sso 1 136 1 . . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL HB H . . . . . 4.0 0.0 5.0 . . . . . A . 14 VAL H . . A . 14 VAL HB . . . 14 . HN . . . . . 14 . HB . . rr_1sso 1 137 1 OR . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 14 VAL H . . A . 14 VAL MG1 . . . 14 . HN . . . . . 14 . HG# . . rr_1sso 1 137 2 OR . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL MG2 H . . . . . 4.0 0.0 7.4 . . . . . A . 14 VAL H . . A . 14 VAL MG2 . . . 14 . HN . . . . . 14 . HG# . . rr_1sso 1 138 1 OR . 1 1 14 14 VAL HA H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 14 VAL HA . . A . 14 VAL MG1 . . . 14 . HA . . . . . 14 . HG# . . rr_1sso 1 138 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 14 14 VAL HA H . . . . . 4.0 0.0 7.4 . . . . . A . 14 VAL MG2 . . A . 14 VAL HA . . . 14 . HG# . . . . . 14 . HA . . rr_1sso 1 139 1 . . 1 1 14 14 VAL HA H . . . 1 1 15 15 ASP H H . . . . . 2.5 0.0 2.7 . . . . . A . 14 VAL HA . . A . 15 ASP H . . . 14 . HA . . . . . 15 . HN . . rr_1sso 1 140 1 . . 1 1 14 14 VAL HB H . . . 1 1 15 15 ASP H H . . . . . 4.0 0.0 5.0 . . . . . A . 14 VAL HB . . A . 15 ASP H . . . 14 . HB . . . . . 15 . HN . . rr_1sso 1 141 1 OR . 1 1 15 15 ASP H H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 15 ASP H . . A . 14 VAL MG1 . . . 15 . HN . . . . . 14 . HG# . . rr_1sso 1 141 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 15 15 ASP H H . . . . . 4.0 0.0 7.4 . . . . . A . 14 VAL MG2 . . A . 15 ASP H . . . 14 . HG# . . . . . 15 . HN . . rr_1sso 1 142 1 OR . 1 1 14 14 VAL MG1 H . . . 1 1 18 18 LYS HB2 H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG1 . . A . 18 LYS HB2 . . . 14 . HG# . . . . . 18 . HB# . . rr_1sso 1 142 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 18 18 LYS HB2 H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG2 . . A . 18 LYS HB2 . . . 14 . HG# . . . . . 18 . HB# . . rr_1sso 1 142 3 OR . 1 1 18 18 LYS HB3 H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 8.4 . . . . . A . 18 LYS HB3 . . A . 14 VAL MG1 . . . 18 . HB# . . . . . 14 . HG# . . rr_1sso 1 142 4 OR . 1 1 14 14 VAL MG2 H . . . 1 1 18 18 LYS HB3 H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG2 . . A . 18 LYS HB3 . . . 14 . HG# . . . . . 18 . HB# . . rr_1sso 1 143 1 OR . 1 1 19 19 ILE MD H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 8.7 . . . . . A . 19 ILE MD . . A . 14 VAL MG1 . . . 19 . HD1# . . . . . 14 . HG# . . rr_1sso 1 143 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 19 19 ILE MD H . . . . . 4.0 0.0 8.7 . . . . . A . 14 VAL MG2 . . A . 19 ILE MD . . . 14 . HG# . . . . . 19 . HD1# . . rr_1sso 1 144 1 OR . 1 1 14 14 VAL MG1 H . . . 1 1 19 19 ILE HG12 H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG1 . . A . 19 ILE HG12 . . . 14 . HG# . . . . . 19 . HG1# . . rr_1sso 1 144 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 19 19 ILE HG12 H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG2 . . A . 19 ILE HG12 . . . 14 . HG# . . . . . 19 . HG1# . . rr_1sso 1 144 3 OR . 1 1 19 19 ILE HG13 H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 8.4 . . . . . A . 19 ILE HG13 . . A . 14 VAL MG1 . . . 19 . HG1# . . . . . 14 . HG# . . rr_1sso 1 144 4 OR . 1 1 14 14 VAL MG2 H . . . 1 1 19 19 ILE HG13 H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG2 . . A . 19 ILE HG13 . . . 14 . HG# . . . . . 19 . HG1# . . rr_1sso 1 145 1 OR . 1 1 20 20 LYS H H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 20 LYS H . . A . 14 VAL MG1 . . . 20 . HN . . . . . 14 . HG# . . rr_1sso 1 145 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 20 20 LYS H H . . . . . 4.0 0.0 7.4 . . . . . A . 14 VAL MG2 . . A . 20 LYS H . . . 14 . HG# . . . . . 20 . HN . . rr_1sso 1 146 1 OR . 1 1 31 31 PHE HZ H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 8.4 . . . . . A . 31 PHE HZ . . A . 14 VAL MG1 . . . 31 . HZ . . . . . 14 . HG# . . rr_1sso 1 146 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 31 31 PHE HZ H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG2 . . A . 31 PHE HZ . . . 14 . HG# . . . . . 31 . HZ . . rr_1sso 1 147 1 OR . 1 1 31 31 PHE QE H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 9.4 . . . . . A . 31 PHE QE . . A . 14 VAL MG1 . . . 31 . HE# . . . . . 14 . HG# . . rr_1sso 1 147 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 31 31 PHE QE H . . . . . 4.0 0.0 9.4 . . . . . A . 14 VAL MG2 . . A . 31 PHE QE . . . 14 . HG# . . . . . 31 . HE# . . rr_1sso 1 148 1 OR . 1 1 33 33 TYR HA H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 8.4 . . . . . A . 33 TYR HA . . A . 14 VAL MG1 . . . 33 . HA . . . . . 14 . HG# . . rr_1sso 1 148 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 33 33 TYR HA H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG2 . . A . 33 TYR HA . . . 14 . HG# . . . . . 33 . HA . . rr_1sso 1 149 1 OR . 1 1 14 14 VAL MG2 H . . . 1 1 33 33 TYR HB2 H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG2 . . A . 33 TYR HB2 . . . 14 . HG# . . . . . 33 . HB# . . rr_1sso 1 149 2 OR . 1 1 14 14 VAL MG1 H . . . 1 1 33 33 TYR HB2 H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG1 . . A . 33 TYR HB2 . . . 14 . HG# . . . . . 33 . HB# . . rr_1sso 1 149 3 OR . 1 1 33 33 TYR HB3 H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 8.4 . . . . . A . 33 TYR HB3 . . A . 14 VAL MG1 . . . 33 . HB# . . . . . 14 . HG# . . rr_1sso 1 149 4 OR . 1 1 14 14 VAL MG2 H . . . 1 1 33 33 TYR HB3 H . . . . . 4.0 0.0 8.4 . . . . . A . 14 VAL MG2 . . A . 33 TYR HB3 . . . 14 . HG# . . . . . 33 . HB# . . rr_1sso 1 150 1 OR . 1 1 33 33 TYR QD H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 9.4 . . . . . A . 33 TYR QD . . A . 14 VAL MG1 . . . 33 . HD# . . . . . 14 . HG# . . rr_1sso 1 150 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 33 33 TYR QD H . . . . . 4.0 0.0 9.4 . . . . . A . 14 VAL MG2 . . A . 33 TYR QD . . . 14 . HG# . . . . . 33 . HD# . . rr_1sso 1 151 1 OR . 1 1 33 33 TYR QE H . . . 1 1 14 14 VAL MG1 H . . . . . 4.0 0.0 9.4 . . . . . A . 33 TYR QE . . A . 14 VAL MG1 . . . 33 . HE# . . . . . 14 . HG# . . rr_1sso 1 151 2 OR . 1 1 14 14 VAL MG2 H . . . 1 1 33 33 TYR QE H . . . . . 4.0 0.0 9.4 . . . . . A . 14 VAL MG2 . . A . 33 TYR QE . . . 14 . HG# . . . . . 33 . HE# . . rr_1sso 1 152 1 . . 1 1 15 15 ASP HA H . . . 1 1 15 15 ASP H H . . . . . 4.0 0.0 5.0 . . . . . A . 15 ASP HA . . A . 15 ASP H . . . 15 . HA . . . . . 15 . HN . . rr_1sso 1 153 1 OR . 1 1 15 15 ASP H H . . . 1 1 15 15 ASP HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 15 ASP H . . A . 15 ASP HB2 . . . 15 . HN . . . . . 15 . HB# . . rr_1sso 1 153 2 OR . 1 1 15 15 ASP H H . . . 1 1 15 15 ASP HB3 H . . . . . 2.5 0.0 3.7 . . . . . A . 15 ASP H . . A . 15 ASP HB3 . . . 15 . HN . . . . . 15 . HB# . . rr_1sso 1 154 1 . . 1 1 15 15 ASP HA H . . . 1 1 16 16 ILE H H . . . . . 2.5 0.0 2.7 . . . . . A . 15 ASP HA . . A . 16 ILE H . . . 15 . HA . . . . . 16 . HN . . rr_1sso 1 155 1 OR . 1 1 16 16 ILE H H . . . 1 1 15 15 ASP HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 16 ILE H . . A . 15 ASP HB2 . . . 16 . HN . . . . . 15 . HB# . . rr_1sso 1 155 2 OR . 1 1 16 16 ILE H H . . . 1 1 15 15 ASP HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 16 ILE H . . A . 15 ASP HB3 . . . 16 . HN . . . . . 15 . HB# . . rr_1sso 1 156 1 . . 1 1 15 15 ASP HA H . . . 1 1 17 17 SER H H . . . . . 4.0 0.0 5.0 . . . . . A . 15 ASP HA . . A . 17 SER H . . . 15 . HA . . . . . 17 . HN . . rr_1sso 1 157 1 OR . 1 1 17 17 SER H H . . . 1 1 15 15 ASP HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 17 SER H . . A . 15 ASP HB2 . . . 17 . HN . . . . . 15 . HB# . . rr_1sso 1 157 2 OR . 1 1 15 15 ASP HB3 H . . . 1 1 17 17 SER H H . . . . . 4.0 0.0 6.0 . . . . . A . 15 ASP HB3 . . A . 17 SER H . . . 15 . HB# . . . . . 17 . HN . . rr_1sso 1 158 1 . . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE HA H . . . . . 4.0 0.0 5.0 . . . . . A . 16 ILE H . . A . 16 ILE HA . . . 16 . HN . . . . . 16 . HA . . rr_1sso 1 159 1 . . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE HB H . . . . . 3.0 0.0 3.3 . . . . . A . 16 ILE H . . A . 16 ILE HB . . . 16 . HN . . . . . 16 . HB . . rr_1sso 1 160 1 . . 1 1 16 16 ILE MG H . . . 1 1 16 16 ILE H H . . . . . 4.0 0.0 5.3 . . . . . A . 16 ILE MG . . A . 16 ILE H . . . 16 . HG2# . . . . . 16 . HN . . rr_1sso 1 161 1 . . 1 1 16 16 ILE MD H . . . 1 1 16 16 ILE H H . . . . . 4.0 0.0 6.3 . . . . . A . 16 ILE MD . . A . 16 ILE H . . . 16 . HD1# . . . . . 16 . HN . . rr_1sso 1 162 1 OR . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE HG12 H . . . . . 3.0 0.0 4.3 . . . . . A . 16 ILE H . . A . 16 ILE HG12 . . . 16 . HN . . . . . 16 . HG1# . . rr_1sso 1 162 2 OR . 1 1 16 16 ILE H H . . . 1 1 16 16 ILE HG13 H . . . . . 3.0 0.0 4.3 . . . . . A . 16 ILE H . . A . 16 ILE HG13 . . . 16 . HN . . . . . 16 . HG1# . . rr_1sso 1 163 1 . . 1 1 16 16 ILE HA H . . . 1 1 16 16 ILE HB H . . . . . 3.0 0.0 3.3 . . . . . A . 16 ILE HA . . A . 16 ILE HB . . . 16 . HA . . . . . 16 . HB . . rr_1sso 1 164 1 . . 1 1 16 16 ILE H H . . . 1 1 17 17 SER H H . . . . . 4.0 0.0 5.0 . . . . . A . 16 ILE H . . A . 17 SER H . . . 16 . HN . . . . . 17 . HN . . rr_1sso 1 165 1 . . 1 1 17 17 SER H H . . . 1 1 16 16 ILE HA H . . . . . 4.0 0.0 5.0 . . . . . A . 17 SER H . . A . 16 ILE HA . . . 17 . HN . . . . . 16 . HA . . rr_1sso 1 166 1 . . 1 1 16 16 ILE MG H . . . 1 1 17 17 SER H H . . . . . 4.0 0.0 5.3 . . . . . A . 16 ILE MG . . A . 17 SER H . . . 16 . HG2# . . . . . 17 . HN . . rr_1sso 1 167 1 . . 1 1 16 16 ILE MG H . . . 1 1 17 17 SER HA H . . . . . 4.0 0.0 5.3 . . . . . A . 16 ILE MG . . A . 17 SER HA . . . 16 . HG2# . . . . . 17 . HA . . rr_1sso 1 168 1 OR . 1 1 17 17 SER H H . . . 1 1 16 16 ILE HG12 H . . . . . 4.0 0.0 6.0 . . . . . A . 17 SER H . . A . 16 ILE HG12 . . . 17 . HN . . . . . 16 . HG1# . . rr_1sso 1 168 2 OR . 1 1 17 17 SER H H . . . 1 1 16 16 ILE HG13 H . . . . . 4.0 0.0 6.0 . . . . . A . 17 SER H . . A . 16 ILE HG13 . . . 17 . HN . . . . . 16 . HG1# . . rr_1sso 1 169 1 . . 1 1 16 16 ILE HA H . . . 1 1 19 19 ILE H H . . . . . 4.0 0.0 5.0 . . . . . A . 16 ILE HA . . A . 19 ILE H . . . 16 . HA . . . . . 19 . HN . . rr_1sso 1 170 1 . . 1 1 19 19 ILE MD H . . . 1 1 16 16 ILE HA H . . . . . 4.0 0.0 6.3 . . . . . A . 19 ILE MD . . A . 16 ILE HA . . . 19 . HD1# . . . . . 16 . HA . . rr_1sso 1 171 1 OR . 1 1 16 16 ILE HA H . . . 1 1 19 19 ILE HG12 H . . . . . 3.0 0.0 4.3 . . . . . A . 16 ILE HA . . A . 19 ILE HG12 . . . 16 . HA . . . . . 19 . HG1# . . rr_1sso 1 171 2 OR . 1 1 19 19 ILE HG13 H . . . 1 1 16 16 ILE HA H . . . . . 3.0 0.0 4.3 . . . . . A . 19 ILE HG13 . . A . 16 ILE HA . . . 19 . HG1# . . . . . 16 . HA . . rr_1sso 1 172 1 . . 1 1 19 19 ILE MD H . . . 1 1 16 16 ILE HB H . . . . . 4.0 0.0 6.3 . . . . . A . 19 ILE MD . . A . 16 ILE HB . . . 19 . HD1# . . . . . 16 . HB . . rr_1sso 1 173 1 . . 1 1 17 17 SER H H . . . 1 1 17 17 SER HA H . . . . . 4.0 0.0 5.0 . . . . . A . 17 SER H . . A . 17 SER HA . . . 17 . HN . . . . . 17 . HA . . rr_1sso 1 174 1 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 17 SER H . . A . 17 SER HB2 . . . 17 . HN . . . . . 17 . HB# . . rr_1sso 1 174 2 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 17 SER H . . A . 17 SER HB3 . . . 17 . HN . . . . . 17 . HB# . . rr_1sso 1 175 1 . . 1 1 17 17 SER H H . . . 1 1 18 18 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 17 SER H . . A . 18 LYS H . . . 17 . HN . . . . . 18 . HN . . rr_1sso 1 176 1 . . 1 1 17 17 SER HA H . . . 1 1 18 18 LYS H H . . . . . 4.0 0.0 6.0 . . . . . A . 17 SER HA . . A . 18 LYS H . . . 17 . HA . . . . . 18 . HN . . rr_1sso 1 177 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 18 LYS H . . A . 18 LYS HA . . . 18 . HN . . . . . 18 . HA . . rr_1sso 1 178 1 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 18 LYS H . . A . 18 LYS HB2 . . . 18 . HN . . . . . 18 . HB# . . rr_1sso 1 178 2 OR . 1 1 18 18 LYS HB3 H . . . 1 1 18 18 LYS H H . . . . . 4.0 0.0 6.0 . . . . . A . 18 LYS HB3 . . A . 18 LYS H . . . 18 . HB# . . . . . 18 . HN . . rr_1sso 1 179 1 . . 1 1 19 19 ILE H H . . . 1 1 18 18 LYS H H . . . . . 3.0 0.0 3.3 . . . . . A . 19 ILE H . . A . 18 LYS H . . . 19 . HN . . . . . 18 . HN . . rr_1sso 1 180 1 . . 1 1 19 19 ILE H H . . . 1 1 18 18 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 19 ILE H . . A . 18 LYS HA . . . 19 . HN . . . . . 18 . HA . . rr_1sso 1 181 1 OR . 1 1 33 33 TYR QD H . . . 1 1 18 18 LYS HB2 H . . . . . 4.0 0.0 8.0 . . . . . A . 33 TYR QD . . A . 18 LYS HB2 . . . 33 . HD# . . . . . 18 . HB# . . rr_1sso 1 181 2 OR . 1 1 33 33 TYR QD H . . . 1 1 18 18 LYS HB3 H . . . . . 4.0 0.0 8.0 . . . . . A . 33 TYR QD . . A . 18 LYS HB3 . . . 33 . HD# . . . . . 18 . HB# . . rr_1sso 1 182 1 OR . 1 1 34 34 ASP H H . . . 1 1 18 18 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 34 ASP H . . A . 18 LYS HB2 . . . 34 . HN . . . . . 18 . HB# . . rr_1sso 1 182 2 OR . 1 1 18 18 LYS HB3 H . . . 1 1 34 34 ASP H H . . . . . 4.0 0.0 6.0 . . . . . A . 18 LYS HB3 . . A . 34 ASP H . . . 18 . HB# . . . . . 34 . HN . . rr_1sso 1 183 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE HA H . . . . . 3.0 0.0 3.3 . . . . . A . 19 ILE H . . A . 19 ILE HA . . . 19 . HN . . . . . 19 . HA . . rr_1sso 1 184 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE HB H . . . . . 2.5 0.0 2.7 . . . . . A . 19 ILE H . . A . 19 ILE HB . . . 19 . HN . . . . . 19 . HB . . rr_1sso 1 185 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE MG H . . . . . 4.0 0.0 5.3 . . . . . A . 19 ILE H . . A . 19 ILE MG . . . 19 . HN . . . . . 19 . HG2# . . rr_1sso 1 186 1 . . 1 1 19 19 ILE MD H . . . 1 1 19 19 ILE H H . . . . . 4.0 0.0 6.3 . . . . . A . 19 ILE MD . . A . 19 ILE H . . . 19 . HD1# . . . . . 19 . HN . . rr_1sso 1 187 1 OR . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE HG12 H . . . . . 3.0 0.0 4.3 . . . . . A . 19 ILE H . . A . 19 ILE HG12 . . . 19 . HN . . . . . 19 . HG1# . . rr_1sso 1 187 2 OR . 1 1 19 19 ILE HG13 H . . . 1 1 19 19 ILE H H . . . . . 3.0 0.0 4.3 . . . . . A . 19 ILE HG13 . . A . 19 ILE H . . . 19 . HG1# . . . . . 19 . HN . . rr_1sso 1 188 1 . . 1 1 19 19 ILE MD H . . . 1 1 19 19 ILE HA H . . . . . 4.0 0.0 5.3 . . . . . A . 19 ILE MD . . A . 19 ILE HA . . . 19 . HD1# . . . . . 19 . HA . . rr_1sso 1 189 1 . . 1 1 19 19 ILE MD H . . . 1 1 19 19 ILE HB H . . . . . 4.0 0.0 5.3 . . . . . A . 19 ILE MD . . A . 19 ILE HB . . . 19 . HD1# . . . . . 19 . HB . . rr_1sso 1 190 1 . . 1 1 19 19 ILE MD H . . . 1 1 19 19 ILE MG H . . . . . 4.0 0.0 5.6 . . . . . A . 19 ILE MD . . A . 19 ILE MG . . . 19 . HD1# . . . . . 19 . HG2# . . rr_1sso 1 191 1 OR . 1 1 19 19 ILE MD H . . . 1 1 19 19 ILE HG12 H . . . . . 4.0 0.0 6.3 . . . . . A . 19 ILE MD . . A . 19 ILE HG12 . . . 19 . HD1# . . . . . 19 . HG1# . . rr_1sso 1 191 2 OR . 1 1 19 19 ILE MD H . . . 1 1 19 19 ILE HG13 H . . . . . 4.0 0.0 6.3 . . . . . A . 19 ILE MD . . A . 19 ILE HG13 . . . 19 . HD1# . . . . . 19 . HG1# . . rr_1sso 1 192 1 . . 1 1 20 20 LYS H H . . . 1 1 19 19 ILE HA H . . . . . 2.5 0.0 2.7 . . . . . A . 20 LYS H . . A . 19 ILE HA . . . 20 . HN . . . . . 19 . HA . . rr_1sso 1 193 1 . . 1 1 20 20 LYS H H . . . 1 1 19 19 ILE MG H . . . . . 4.0 0.0 5.3 . . . . . A . 20 LYS H . . A . 19 ILE MG . . . 20 . HN . . . . . 19 . HG2# . . rr_1sso 1 194 1 . . 1 1 19 19 ILE MD H . . . 1 1 20 20 LYS H H . . . . . 4.0 0.0 5.3 . . . . . A . 19 ILE MD . . A . 20 LYS H . . . 19 . HD1# . . . . . 20 . HN . . rr_1sso 1 195 1 . . 1 1 19 19 ILE HA H . . . 1 1 31 31 PHE QD H . . . . . 4.0 0.0 7.0 . . . . . A . 19 ILE HA . . A . 31 PHE QD . . . 19 . HA . . . . . 31 . HD# . . rr_1sso 1 196 1 . . 1 1 19 19 ILE MG H . . . 1 1 31 31 PHE HA H . . . . . 4.0 0.0 5.3 . . . . . A . 19 ILE MG . . A . 31 PHE HA . . . 19 . HG2# . . . . . 31 . HA . . rr_1sso 1 197 1 OR . 1 1 19 19 ILE MG H . . . 1 1 31 31 PHE HB2 H . . . . . 4.0 0.0 6.3 . . . . . A . 19 ILE MG . . A . 31 PHE HB2 . . . 19 . HG2# . . . . . 31 . HB# . . rr_1sso 1 197 2 OR . 1 1 19 19 ILE MG H . . . 1 1 31 31 PHE HB3 H . . . . . 4.0 0.0 6.3 . . . . . A . 19 ILE MG . . A . 31 PHE HB3 . . . 19 . HG2# . . . . . 31 . HB# . . rr_1sso 1 198 1 . . 1 1 19 19 ILE MG H . . . 1 1 31 31 PHE QD H . . . . . 4.0 0.0 7.3 . . . . . A . 19 ILE MG . . A . 31 PHE QD . . . 19 . HG2# . . . . . 31 . HD# . . rr_1sso 1 199 1 OR . 1 1 19 19 ILE MD H . . . 1 1 31 31 PHE HB2 H . . . . . 4.0 0.0 7.3 . . . . . A . 19 ILE MD . . A . 31 PHE HB2 . . . 19 . HD1# . . . . . 31 . HB# . . rr_1sso 1 199 2 OR . 1 1 19 19 ILE MD H . . . 1 1 31 31 PHE HB3 H . . . . . 4.0 0.0 7.3 . . . . . A . 19 ILE MD . . A . 31 PHE HB3 . . . 19 . HD1# . . . . . 31 . HB# . . rr_1sso 1 200 1 . . 1 1 19 19 ILE MD H . . . 1 1 31 31 PHE QD H . . . . . 4.0 0.0 7.3 . . . . . A . 19 ILE MD . . A . 31 PHE QD . . . 19 . HD1# . . . . . 31 . HD# . . rr_1sso 1 201 1 . . 1 1 19 19 ILE MD H . . . 1 1 31 31 PHE QE H . . . . . 4.0 0.0 7.3 . . . . . A . 19 ILE MD . . A . 31 PHE QE . . . 19 . HD1# . . . . . 31 . HE# . . rr_1sso 1 202 1 . . 1 1 33 33 TYR HA H . . . 1 1 19 19 ILE HA H . . . . . 2.5 0.0 2.7 . . . . . A . 33 TYR HA . . A . 19 ILE HA . . . 33 . HA . . . . . 19 . HA . . rr_1sso 1 203 1 OR . 1 1 19 19 ILE HA H . . . 1 1 33 33 TYR HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 19 ILE HA . . A . 33 TYR HB2 . . . 19 . HA . . . . . 33 . HB# . . rr_1sso 1 203 2 OR . 1 1 33 33 TYR HB3 H . . . 1 1 19 19 ILE HA H . . . . . 4.0 0.0 6.0 . . . . . A . 33 TYR HB3 . . A . 19 ILE HA . . . 33 . HB# . . . . . 19 . HA . . rr_1sso 1 204 1 . . 1 1 33 33 TYR QD H . . . 1 1 19 19 ILE HA H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QD . . A . 19 ILE HA . . . 33 . HD# . . . . . 19 . HA . . rr_1sso 1 205 1 . . 1 1 33 33 TYR HA H . . . 1 1 19 19 ILE MG H . . . . . 4.0 0.0 6.3 . . . . . A . 33 TYR HA . . A . 19 ILE MG . . . 33 . HA . . . . . 19 . HG2# . . rr_1sso 1 206 1 . . 1 1 19 19 ILE MD H . . . 1 1 33 33 TYR HA H . . . . . 4.0 0.0 6.3 . . . . . A . 19 ILE MD . . A . 33 TYR HA . . . 19 . HD1# . . . . . 33 . HA . . rr_1sso 1 207 1 OR . 1 1 19 19 ILE MD H . . . 1 1 33 33 TYR HB2 H . . . . . 4.0 0.0 7.3 . . . . . A . 19 ILE MD . . A . 33 TYR HB2 . . . 19 . HD1# . . . . . 33 . HB# . . rr_1sso 1 207 2 OR . 1 1 19 19 ILE MD H . . . 1 1 33 33 TYR HB3 H . . . . . 4.0 0.0 7.3 . . . . . A . 19 ILE MD . . A . 33 TYR HB3 . . . 19 . HD1# . . . . . 33 . HB# . . rr_1sso 1 208 1 . . 1 1 19 19 ILE MD H . . . 1 1 33 33 TYR QD H . . . . . 4.0 0.0 8.3 . . . . . A . 19 ILE MD . . A . 33 TYR QD . . . 19 . HD1# . . . . . 33 . HD# . . rr_1sso 1 209 1 OR . 1 1 19 19 ILE HG12 H . . . 1 1 33 33 TYR HB2 H . . . . . 4.0 0.0 7.0 . . . . . A . 19 ILE HG12 . . A . 33 TYR HB2 . . . 19 . HG1# . . . . . 33 . HB# . . rr_1sso 1 209 2 OR . 1 1 19 19 ILE HG13 H . . . 1 1 33 33 TYR HB2 H . . . . . 4.0 0.0 7.0 . . . . . A . 19 ILE HG13 . . A . 33 TYR HB2 . . . 19 . HG1# . . . . . 33 . HB# . . rr_1sso 1 209 3 OR . 1 1 33 33 TYR HB3 H . . . 1 1 19 19 ILE HG12 H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR HB3 . . A . 19 ILE HG12 . . . 33 . HB# . . . . . 19 . HG1# . . rr_1sso 1 209 4 OR . 1 1 19 19 ILE HG13 H . . . 1 1 33 33 TYR HB3 H . . . . . 4.0 0.0 7.0 . . . . . A . 19 ILE HG13 . . A . 33 TYR HB3 . . . 19 . HG1# . . . . . 33 . HB# . . rr_1sso 1 210 1 OR . 1 1 19 19 ILE MD H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 8.7 . . . . . A . 19 ILE MD . . A . 54 LEU MD1 . . . 19 . HD1# . . . . . 54 . HD# . . rr_1sso 1 210 2 OR . 1 1 19 19 ILE MD H . . . 1 1 54 54 LEU MD2 H . . . . . 4.0 0.0 8.7 . . . . . A . 19 ILE MD . . A . 54 LEU MD2 . . . 19 . HD1# . . . . . 54 . HD# . . rr_1sso 1 211 1 . . 1 1 19 19 ILE MG H . . . 1 1 57 57 MET ME H . . . . . 4.0 0.0 5.6 . . . . . A . 19 ILE MG . . A . 57 MET ME . . . 19 . HG2# . . . . . 57 . HE# . . rr_1sso 1 212 1 . . 1 1 19 19 ILE MD H . . . 1 1 57 57 MET ME H . . . . . 4.0 0.0 6.6 . . . . . A . 19 ILE MD . . A . 57 MET ME . . . 19 . HD1# . . . . . 57 . HE# . . rr_1sso 1 213 1 . . 1 1 20 20 LYS H H . . . 1 1 20 20 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 20 LYS H . . A . 20 LYS HA . . . 20 . HN . . . . . 20 . HA . . rr_1sso 1 214 1 OR . 1 1 20 20 LYS H H . . . 1 1 20 20 LYS HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 20 LYS H . . A . 20 LYS HB2 . . . 20 . HN . . . . . 20 . HB# . . rr_1sso 1 214 2 OR . 1 1 20 20 LYS H H . . . 1 1 20 20 LYS HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 20 LYS H . . A . 20 LYS HB3 . . . 20 . HN . . . . . 20 . HB# . . rr_1sso 1 215 1 OR . 1 1 20 20 LYS H H . . . 1 1 20 20 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 20 LYS H . . A . 20 LYS HG2 . . . 20 . HN . . . . . 20 . HG# . . rr_1sso 1 215 2 OR . 1 1 20 20 LYS H H . . . 1 1 20 20 LYS HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 20 LYS H . . A . 20 LYS HG3 . . . 20 . HN . . . . . 20 . HG# . . rr_1sso 1 216 1 . . 1 1 20 20 LYS H H . . . 1 1 21 21 LYS H H . . . . . 3.0 0.0 3.3 . . . . . A . 20 LYS H . . A . 21 LYS H . . . 20 . HN . . . . . 21 . HN . . rr_1sso 1 217 1 . . 1 1 20 20 LYS H H . . . 1 1 33 33 TYR HA H . . . . . 3.0 0.0 3.3 . . . . . A . 20 LYS H . . A . 33 TYR HA . . . 20 . HN . . . . . 33 . HA . . rr_1sso 1 218 1 OR . 1 1 33 33 TYR HA H . . . 1 1 20 20 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 33 TYR HA . . A . 20 LYS HB2 . . . 33 . HA . . . . . 20 . HB# . . rr_1sso 1 218 2 OR . 1 1 33 33 TYR HA H . . . 1 1 20 20 LYS HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 33 TYR HA . . A . 20 LYS HB3 . . . 33 . HA . . . . . 20 . HB# . . rr_1sso 1 219 1 OR . 1 1 33 33 TYR HA H . . . 1 1 20 20 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 33 TYR HA . . A . 20 LYS HG2 . . . 33 . HA . . . . . 20 . HG# . . rr_1sso 1 219 2 OR . 1 1 33 33 TYR HA H . . . 1 1 20 20 LYS HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 33 TYR HA . . A . 20 LYS HG3 . . . 33 . HA . . . . . 20 . HG# . . rr_1sso 1 220 1 OR . 1 1 33 33 TYR HA H . . . 1 1 20 20 LYS HD2 H . . . . . 4.0 0.0 6.0 . . . . . A . 33 TYR HA . . A . 20 LYS HD2 . . . 33 . HA . . . . . 20 . HD# . . rr_1sso 1 220 2 OR . 1 1 33 33 TYR HA H . . . 1 1 20 20 LYS HD3 H . . . . . 4.0 0.0 6.0 . . . . . A . 33 TYR HA . . A . 20 LYS HD3 . . . 33 . HA . . . . . 20 . HD# . . rr_1sso 1 221 1 . . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 21 LYS H . . A . 21 LYS HA . . . 21 . HN . . . . . 21 . HA . . rr_1sso 1 222 1 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 21 LYS H . . A . 21 LYS HB2 . . . 21 . HN . . . . . 21 . HB# . . rr_1sso 1 222 2 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HB3 H . . . . . 2.5 0.0 3.7 . . . . . A . 21 LYS H . . A . 21 LYS HB3 . . . 21 . HN . . . . . 21 . HB# . . rr_1sso 1 223 1 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 21 LYS H . . A . 21 LYS HG2 . . . 21 . HN . . . . . 21 . HG# . . rr_1sso 1 223 2 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 21 LYS H . . A . 21 LYS HG3 . . . 21 . HN . . . . . 21 . HG# . . rr_1sso 1 224 1 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HD2 H . . . . . 4.0 0.0 6.0 . . . . . A . 21 LYS H . . A . 21 LYS HD2 . . . 21 . HN . . . . . 21 . HD# . . rr_1sso 1 224 2 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HD3 H . . . . . 4.0 0.0 6.0 . . . . . A . 21 LYS H . . A . 21 LYS HD3 . . . 21 . HN . . . . . 21 . HD# . . rr_1sso 1 225 1 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HE2 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS H . . A . 21 LYS HE2 . . . 21 . HN . . . . . 21 . HE# . . rr_1sso 1 225 2 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HE3 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS H . . A . 21 LYS HE3 . . . 21 . HN . . . . . 21 . HE# . . rr_1sso 1 226 1 OR . 1 1 21 21 LYS HA H . . . 1 1 21 21 LYS HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 21 LYS HA . . A . 21 LYS HB2 . . . 21 . HA . . . . . 21 . HB# . . rr_1sso 1 226 2 OR . 1 1 21 21 LYS HA H . . . 1 1 21 21 LYS HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 21 LYS HA . . A . 21 LYS HB3 . . . 21 . HA . . . . . 21 . HB# . . rr_1sso 1 227 1 OR . 1 1 21 21 LYS HB3 H . . . 1 1 21 21 LYS HE2 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS HB3 . . A . 21 LYS HE2 . . . 21 . HB# . . . . . 21 . HE# . . rr_1sso 1 227 2 OR . 1 1 21 21 LYS HB2 H . . . 1 1 21 21 LYS HE2 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS HB2 . . A . 21 LYS HE2 . . . 21 . HB# . . . . . 21 . HE# . . rr_1sso 1 227 3 OR . 1 1 21 21 LYS HE3 H . . . 1 1 21 21 LYS HB2 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS HE3 . . A . 21 LYS HB2 . . . 21 . HE# . . . . . 21 . HB# . . rr_1sso 1 227 4 OR . 1 1 21 21 LYS HB3 H . . . 1 1 21 21 LYS HE3 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS HB3 . . A . 21 LYS HE3 . . . 21 . HB# . . . . . 21 . HE# . . rr_1sso 1 228 1 OR . 1 1 21 21 LYS HE3 H . . . 1 1 21 21 LYS HG2 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS HE3 . . A . 21 LYS HG2 . . . 21 . HE# . . . . . 21 . HG# . . rr_1sso 1 228 2 OR . 1 1 21 21 LYS HE2 H . . . 1 1 21 21 LYS HG2 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS HE2 . . A . 21 LYS HG2 . . . 21 . HE# . . . . . 21 . HG# . . rr_1sso 1 228 3 OR . 1 1 21 21 LYS HG3 H . . . 1 1 21 21 LYS HE2 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS HG3 . . A . 21 LYS HE2 . . . 21 . HG# . . . . . 21 . HE# . . rr_1sso 1 228 4 OR . 1 1 21 21 LYS HG3 H . . . 1 1 21 21 LYS HE3 H . . . . . 4.0 0.0 7.0 . . . . . A . 21 LYS HG3 . . A . 21 LYS HE3 . . . 21 . HG# . . . . . 21 . HE# . . rr_1sso 1 229 1 OR . 1 1 21 21 LYS HD3 H . . . 1 1 21 21 LYS HE2 H . . . . . 4.0 0.0 8.0 . . . . . A . 21 LYS HD3 . . A . 21 LYS HE2 . . . 21 . HD# . . . . . 21 . HE# . . rr_1sso 1 229 2 OR . 1 1 21 21 LYS HD2 H . . . 1 1 21 21 LYS HE2 H . . . . . 4.0 0.0 8.0 . . . . . A . 21 LYS HD2 . . A . 21 LYS HE2 . . . 21 . HD# . . . . . 21 . HE# . . rr_1sso 1 229 3 OR . 1 1 21 21 LYS HE3 H . . . 1 1 21 21 LYS HD2 H . . . . . 4.0 0.0 8.0 . . . . . A . 21 LYS HE3 . . A . 21 LYS HD2 . . . 21 . HE# . . . . . 21 . HD# . . rr_1sso 1 229 4 OR . 1 1 21 21 LYS HD3 H . . . 1 1 21 21 LYS HE3 H . . . . . 4.0 0.0 8.0 . . . . . A . 21 LYS HD3 . . A . 21 LYS HE3 . . . 21 . HD# . . . . . 21 . HE# . . rr_1sso 1 230 1 . . 1 1 21 21 LYS HA H . . . 1 1 22 22 VAL H H . . . . . 2.5 0.0 2.7 . . . . . A . 21 LYS HA . . A . 22 VAL H . . . 21 . HA . . . . . 22 . HN . . rr_1sso 1 231 1 OR . 1 1 22 22 VAL H H . . . 1 1 21 21 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 22 VAL H . . A . 21 LYS HB2 . . . 22 . HN . . . . . 21 . HB# . . rr_1sso 1 231 2 OR . 1 1 21 21 LYS HB3 H . . . 1 1 22 22 VAL H H . . . . . 4.0 0.0 6.0 . . . . . A . 21 LYS HB3 . . A . 22 VAL H . . . 21 . HB# . . . . . 22 . HN . . rr_1sso 1 232 1 OR . 1 1 23 23 TRP HE3 H . . . 1 1 21 21 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 23 TRP HE3 . . A . 21 LYS HB2 . . . 23 . HE3 . . . . . 21 . HB# . . rr_1sso 1 232 2 OR . 1 1 21 21 LYS HB3 H . . . 1 1 23 23 TRP HE3 H . . . . . 4.0 0.0 6.0 . . . . . A . 21 LYS HB3 . . A . 23 TRP HE3 . . . 21 . HB# . . . . . 23 . HE3 . . rr_1sso 1 233 1 OR . 1 1 23 23 TRP HZ3 H . . . 1 1 21 21 LYS HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 23 TRP HZ3 . . A . 21 LYS HB2 . . . 23 . HZ3 . . . . . 21 . HB# . . rr_1sso 1 233 2 OR . 1 1 21 21 LYS HB3 H . . . 1 1 23 23 TRP HZ3 H . . . . . 3.0 0.0 4.3 . . . . . A . 21 LYS HB3 . . A . 23 TRP HZ3 . . . 21 . HB# . . . . . 23 . HZ3 . . rr_1sso 1 234 1 . . 1 1 33 33 TYR HA H . . . 1 1 21 21 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 33 TYR HA . . A . 21 LYS H . . . 33 . HA . . . . . 21 . HN . . rr_1sso 1 235 1 . . 1 1 22 22 VAL H H . . . 1 1 22 22 VAL HA H . . . . . 4.0 0.0 5.0 . . . . . A . 22 VAL H . . A . 22 VAL HA . . . 22 . HN . . . . . 22 . HA . . rr_1sso 1 236 1 . . 1 1 22 22 VAL H H . . . 1 1 22 22 VAL HB H . . . . . 4.0 0.0 5.0 . . . . . A . 22 VAL H . . A . 22 VAL HB . . . 22 . HN . . . . . 22 . HB . . rr_1sso 1 237 1 OR . 1 1 22 22 VAL H H . . . 1 1 22 22 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 22 VAL H . . A . 22 VAL MG1 . . . 22 . HN . . . . . 22 . HG# . . rr_1sso 1 237 2 OR . 1 1 22 22 VAL H H . . . 1 1 22 22 VAL MG2 H . . . . . 4.0 0.0 7.4 . . . . . A . 22 VAL H . . A . 22 VAL MG2 . . . 22 . HN . . . . . 22 . HG# . . rr_1sso 1 238 1 . . 1 1 22 22 VAL HA H . . . 1 1 22 22 VAL HB H . . . . . 4.0 0.0 5.0 . . . . . A . 22 VAL HA . . A . 22 VAL HB . . . 22 . HA . . . . . 22 . HB . . rr_1sso 1 239 1 OR . 1 1 22 22 VAL HA H . . . 1 1 22 22 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 22 VAL HA . . A . 22 VAL MG1 . . . 22 . HA . . . . . 22 . HG# . . rr_1sso 1 239 2 OR . 1 1 22 22 VAL HA H . . . 1 1 22 22 VAL MG2 H . . . . . 4.0 0.0 7.4 . . . . . A . 22 VAL HA . . A . 22 VAL MG2 . . . 22 . HA . . . . . 22 . HG# . . rr_1sso 1 240 1 OR . 1 1 22 22 VAL HB H . . . 1 1 22 22 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 22 VAL HB . . A . 22 VAL MG1 . . . 22 . HB . . . . . 22 . HG# . . rr_1sso 1 240 2 OR . 1 1 22 22 VAL HB H . . . 1 1 22 22 VAL MG2 H . . . . . 4.0 0.0 7.4 . . . . . A . 22 VAL HB . . A . 22 VAL MG2 . . . 22 . HB . . . . . 22 . HG# . . rr_1sso 1 241 1 . . 1 1 22 22 VAL H H . . . 1 1 23 23 TRP HE3 H . . . . . 4.0 0.0 5.0 . . . . . A . 22 VAL H . . A . 23 TRP HE3 . . . 22 . HN . . . . . 23 . HE3 . . rr_1sso 1 242 1 . . 1 1 22 22 VAL HA H . . . 1 1 23 23 TRP H H . . . . . 2.5 0.0 2.7 . . . . . A . 22 VAL HA . . A . 23 TRP H . . . 22 . HA . . . . . 23 . HN . . rr_1sso 1 243 1 . . 1 1 23 23 TRP HE3 H . . . 1 1 22 22 VAL HA H . . . . . 3.0 0.0 3.3 . . . . . A . 23 TRP HE3 . . A . 22 VAL HA . . . 23 . HE3 . . . . . 22 . HA . . rr_1sso 1 244 1 . . 1 1 23 23 TRP HZ3 H . . . 1 1 22 22 VAL HA H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HZ3 . . A . 22 VAL HA . . . 23 . HZ3 . . . . . 22 . HA . . rr_1sso 1 245 1 . . 1 1 22 22 VAL HB H . . . 1 1 23 23 TRP H H . . . . . 4.0 0.0 5.0 . . . . . A . 22 VAL HB . . A . 23 TRP H . . . 22 . HB . . . . . 23 . HN . . rr_1sso 1 246 1 OR . 1 1 23 23 TRP H H . . . 1 1 22 22 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 23 TRP H . . A . 22 VAL MG1 . . . 23 . HN . . . . . 22 . HG# . . rr_1sso 1 246 2 OR . 1 1 22 22 VAL MG2 H . . . 1 1 23 23 TRP H H . . . . . 4.0 0.0 7.4 . . . . . A . 22 VAL MG2 . . A . 23 TRP H . . . 22 . HG# . . . . . 23 . HN . . rr_1sso 1 247 1 OR . 1 1 29 29 ILE MG H . . . 1 1 22 22 VAL MG1 H . . . . . 4.0 0.0 7.7 . . . . . A . 29 ILE MG . . A . 22 VAL MG1 . . . 29 . HG2# . . . . . 22 . HG# . . rr_1sso 1 247 2 OR . 1 1 22 22 VAL MG2 H . . . 1 1 29 29 ILE MG H . . . . . 4.0 0.0 7.7 . . . . . A . 22 VAL MG2 . . A . 29 ILE MG . . . 22 . HG# . . . . . 29 . HG2# . . rr_1sso 1 248 1 . . 1 1 31 31 PHE HA H . . . 1 1 22 22 VAL HA H . . . . . 2.5 0.0 2.7 . . . . . A . 31 PHE HA . . A . 22 VAL HA . . . 31 . HA . . . . . 22 . HA . . rr_1sso 1 249 1 OR . 1 1 22 22 VAL HA H . . . 1 1 31 31 PHE HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 22 VAL HA . . A . 31 PHE HB2 . . . 22 . HA . . . . . 31 . HB# . . rr_1sso 1 249 2 OR . 1 1 31 31 PHE HB3 H . . . 1 1 22 22 VAL HA H . . . . . 4.0 0.0 6.0 . . . . . A . 31 PHE HB3 . . A . 22 VAL HA . . . 31 . HB# . . . . . 22 . HA . . rr_1sso 1 250 1 . . 1 1 31 31 PHE QD H . . . 1 1 22 22 VAL HA H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QD . . A . 22 VAL HA . . . 31 . HD# . . . . . 22 . HA . . rr_1sso 1 251 1 OR . 1 1 31 31 PHE HA H . . . 1 1 22 22 VAL MG1 H . . . . . 4.0 0.0 7.4 . . . . . A . 31 PHE HA . . A . 22 VAL MG1 . . . 31 . HA . . . . . 22 . HG# . . rr_1sso 1 251 2 OR . 1 1 31 31 PHE HA H . . . 1 1 22 22 VAL MG2 H . . . . . 4.0 0.0 7.4 . . . . . A . 31 PHE HA . . A . 22 VAL MG2 . . . 31 . HA . . . . . 22 . HG# . . rr_1sso 1 252 1 OR . 1 1 22 22 VAL MG2 H . . . 1 1 31 31 PHE HB2 H . . . . . 4.0 0.0 8.4 . . . . . A . 22 VAL MG2 . . A . 31 PHE HB2 . . . 22 . HG# . . . . . 31 . HB# . . rr_1sso 1 252 2 OR . 1 1 22 22 VAL MG1 H . . . 1 1 31 31 PHE HB2 H . . . . . 4.0 0.0 8.4 . . . . . A . 22 VAL MG1 . . A . 31 PHE HB2 . . . 22 . HG# . . . . . 31 . HB# . . rr_1sso 1 252 3 OR . 1 1 31 31 PHE HB3 H . . . 1 1 22 22 VAL MG1 H . . . . . 4.0 0.0 8.4 . . . . . A . 31 PHE HB3 . . A . 22 VAL MG1 . . . 31 . HB# . . . . . 22 . HG# . . rr_1sso 1 252 4 OR . 1 1 31 31 PHE HB3 H . . . 1 1 22 22 VAL MG2 H . . . . . 4.0 0.0 8.4 . . . . . A . 31 PHE HB3 . . A . 22 VAL MG2 . . . 31 . HB# . . . . . 22 . HG# . . rr_1sso 1 253 1 OR . 1 1 31 31 PHE QD H . . . 1 1 22 22 VAL MG1 H . . . . . 4.0 0.0 9.4 . . . . . A . 31 PHE QD . . A . 22 VAL MG1 . . . 31 . HD# . . . . . 22 . HG# . . rr_1sso 1 253 2 OR . 1 1 31 31 PHE QD H . . . 1 1 22 22 VAL MG2 H . . . . . 4.0 0.0 9.4 . . . . . A . 31 PHE QD . . A . 22 VAL MG2 . . . 31 . HD# . . . . . 22 . HG# . . rr_1sso 1 254 1 . . 1 1 22 22 VAL HA H . . . 1 1 32 32 THR H H . . . . . 4.0 0.0 5.0 . . . . . A . 22 VAL HA . . A . 32 THR H . . . 22 . HA . . . . . 32 . HN . . rr_1sso 1 255 1 . . 1 1 23 23 TRP H H . . . 1 1 23 23 TRP HA H . . . . . 3.0 0.0 3.3 . . . . . A . 23 TRP H . . A . 23 TRP HA . . . 23 . HN . . . . . 23 . HA . . rr_1sso 1 256 1 . . 1 1 23 23 TRP HE3 H . . . 1 1 23 23 TRP H H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HE3 . . A . 23 TRP H . . . 23 . HE3 . . . . . 23 . HN . . rr_1sso 1 257 1 . . 1 1 23 23 TRP HZ3 H . . . 1 1 23 23 TRP H H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HZ3 . . A . 23 TRP H . . . 23 . HZ3 . . . . . 23 . HN . . rr_1sso 1 258 1 OR . 1 1 23 23 TRP H H . . . 1 1 23 23 TRP HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 23 TRP H . . A . 23 TRP HB2 . . . 23 . HN . . . . . 23 . HB# . . rr_1sso 1 258 2 OR . 1 1 23 23 TRP H H . . . 1 1 23 23 TRP HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 23 TRP H . . A . 23 TRP HB3 . . . 23 . HN . . . . . 23 . HB# . . rr_1sso 1 259 1 . . 1 1 23 23 TRP HA H . . . 1 1 23 23 TRP HD1 H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HA . . A . 23 TRP HD1 . . . 23 . HA . . . . . 23 . HD1 . . rr_1sso 1 260 1 . . 1 1 23 23 TRP HE3 H . . . 1 1 23 23 TRP HA H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HE3 . . A . 23 TRP HA . . . 23 . HE3 . . . . . 23 . HA . . rr_1sso 1 261 1 OR . 1 1 23 23 TRP HA H . . . 1 1 23 23 TRP HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 23 TRP HA . . A . 23 TRP HB2 . . . 23 . HA . . . . . 23 . HB# . . rr_1sso 1 261 2 OR . 1 1 23 23 TRP HA H . . . 1 1 23 23 TRP HB3 H . . . . . 2.5 0.0 3.7 . . . . . A . 23 TRP HA . . A . 23 TRP HB3 . . . 23 . HA . . . . . 23 . HB# . . rr_1sso 1 262 1 OR . 1 1 23 23 TRP HD1 H . . . 1 1 23 23 TRP HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 23 TRP HD1 . . A . 23 TRP HB2 . . . 23 . HD1 . . . . . 23 . HB# . . rr_1sso 1 262 2 OR . 1 1 23 23 TRP HB3 H . . . 1 1 23 23 TRP HD1 H . . . . . 3.0 0.0 4.3 . . . . . A . 23 TRP HB3 . . A . 23 TRP HD1 . . . 23 . HB# . . . . . 23 . HD1 . . rr_1sso 1 263 1 OR . 1 1 23 23 TRP HE3 H . . . 1 1 23 23 TRP HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 23 TRP HE3 . . A . 23 TRP HB2 . . . 23 . HE3 . . . . . 23 . HB# . . rr_1sso 1 263 2 OR . 1 1 23 23 TRP HE3 H . . . 1 1 23 23 TRP HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 23 TRP HE3 . . A . 23 TRP HB3 . . . 23 . HE3 . . . . . 23 . HB# . . rr_1sso 1 264 1 . . 1 1 23 23 TRP HA H . . . 1 1 24 24 ARG H H . . . . . 2.5 0.0 2.7 . . . . . A . 23 TRP HA . . A . 24 ARG H . . . 23 . HA . . . . . 24 . HN . . rr_1sso 1 265 1 . . 1 1 23 23 TRP HD1 H . . . 1 1 24 24 ARG H H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HD1 . . A . 24 ARG H . . . 23 . HD1 . . . . . 24 . HN . . rr_1sso 1 266 1 OR . 1 1 24 24 ARG H H . . . 1 1 23 23 TRP HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 24 ARG H . . A . 23 TRP HB2 . . . 24 . HN . . . . . 23 . HB# . . rr_1sso 1 266 2 OR . 1 1 23 23 TRP HB3 H . . . 1 1 24 24 ARG H H . . . . . 3.0 0.0 4.3 . . . . . A . 23 TRP HB3 . . A . 24 ARG H . . . 23 . HB# . . . . . 24 . HN . . rr_1sso 1 267 1 . . 1 1 23 23 TRP HD1 H . . . 1 1 25 25 VAL HA H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HD1 . . A . 25 VAL HA . . . 23 . HD1 . . . . . 25 . HA . . rr_1sso 1 268 1 . . 1 1 23 23 TRP HD1 H . . . 1 1 25 25 VAL HB H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HD1 . . A . 25 VAL HB . . . 23 . HD1 . . . . . 25 . HB . . rr_1sso 1 269 1 . . 1 1 23 23 TRP HD1 H . . . 1 1 25 25 VAL MG2 H . . . . . 4.0 0.0 5.3 . . . . . A . 23 TRP HD1 . . A . 25 VAL MG2 . . . 23 . HD1 . . . . . 25 . HG2# . . rr_1sso 1 270 1 . . 1 1 23 23 TRP HD1 H . . . 1 1 25 25 VAL MG1 H . . . . . 4.0 0.0 5.3 . . . . . A . 23 TRP HD1 . . A . 25 VAL MG1 . . . 23 . HD1 . . . . . 25 . HG1# . . rr_1sso 1 271 1 . . 1 1 25 25 VAL MG2 H . . . 1 1 23 23 TRP HE1 H . . . . . 4.0 0.0 5.3 . . . . . A . 25 VAL MG2 . . A . 23 TRP HE1 . . . 25 . HG2# . . . . . 23 . HE1 . . rr_1sso 1 272 1 . . 1 1 25 25 VAL MG1 H . . . 1 1 23 23 TRP HE1 H . . . . . 4.0 0.0 6.3 . . . . . A . 25 VAL MG1 . . A . 23 TRP HE1 . . . 25 . HG1# . . . . . 23 . HE1 . . rr_1sso 1 273 1 . . 1 1 23 23 TRP H H . . . 1 1 29 29 ILE MG H . . . . . 4.0 0.0 5.3 . . . . . A . 23 TRP H . . A . 29 ILE MG . . . 23 . HN . . . . . 29 . HG2# . . rr_1sso 1 274 1 . . 1 1 23 23 TRP H H . . . 1 1 30 30 SER H H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP H . . A . 30 SER H . . . 23 . HN . . . . . 30 . HN . . rr_1sso 1 275 1 . . 1 1 23 23 TRP HE1 H . . . 1 1 30 30 SER HB3 H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HE1 . . A . 30 SER HB3 . . . 23 . HE1 . . . . . 30 . HB1 . . rr_1sso 1 276 1 . . 1 1 23 23 TRP HE1 H . . . 1 1 30 30 SER HB2 H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HE1 . . A . 30 SER HB2 . . . 23 . HE1 . . . . . 30 . HB2 . . rr_1sso 1 277 1 . . 1 1 30 30 SER HB3 H . . . 1 1 23 23 TRP HZ2 H . . . . . 4.0 0.0 5.0 . . . . . A . 30 SER HB3 . . A . 23 TRP HZ2 . . . 30 . HB1 . . . . . 23 . HZ2 . . rr_1sso 1 278 1 . . 1 1 31 31 PHE HA H . . . 1 1 23 23 TRP H H . . . . . 4.0 0.0 5.0 . . . . . A . 31 PHE HA . . A . 23 TRP H . . . 31 . HA . . . . . 23 . HN . . rr_1sso 1 279 1 . . 1 1 31 31 PHE HA H . . . 1 1 23 23 TRP HE3 H . . . . . 4.0 0.0 5.0 . . . . . A . 31 PHE HA . . A . 23 TRP HE3 . . . 31 . HA . . . . . 23 . HE3 . . rr_1sso 1 280 1 . . 1 1 31 31 PHE HA H . . . 1 1 23 23 TRP HZ3 H . . . . . 3.0 0.0 3.3 . . . . . A . 31 PHE HA . . A . 23 TRP HZ3 . . . 31 . HA . . . . . 23 . HZ3 . . rr_1sso 1 281 1 . . 1 1 23 23 TRP HE3 H . . . 1 1 32 32 THR MG H . . . . . 4.0 0.0 5.3 . . . . . A . 23 TRP HE3 . . A . 32 THR MG . . . 23 . HE3 . . . . . 32 . HG2# . . rr_1sso 1 282 1 . . 1 1 23 23 TRP HZ2 H . . . 1 1 32 32 THR MG H . . . . . 4.0 0.0 5.3 . . . . . A . 23 TRP HZ2 . . A . 32 THR MG . . . 23 . HZ2 . . . . . 32 . HG2# . . rr_1sso 1 283 1 . . 1 1 23 23 TRP HZ3 H . . . 1 1 32 32 THR H H . . . . . 4.0 0.0 5.0 . . . . . A . 23 TRP HZ3 . . A . 32 THR H . . . 23 . HZ3 . . . . . 32 . HN . . rr_1sso 1 284 1 . . 1 1 32 32 THR MG H . . . 1 1 23 23 TRP HH2 H . . . . . 3.0 0.0 3.6 . . . . . A . 32 THR MG . . A . 23 TRP HH2 . . . 32 . HG2# . . . . . 23 . HH2 . . rr_1sso 1 285 1 OR . 1 1 23 23 TRP HZ2 H . . . 1 1 42 42 ARG HD2 H . . . . . 4.0 0.0 6.0 . . . . . A . 23 TRP HZ2 . . A . 42 ARG HD2 . . . 23 . HZ2 . . . . . 42 . HD# . . rr_1sso 1 285 2 OR . 1 1 23 23 TRP HZ2 H . . . 1 1 42 42 ARG HD3 H . . . . . 4.0 0.0 6.0 . . . . . A . 23 TRP HZ2 . . A . 42 ARG HD3 . . . 23 . HZ2 . . . . . 42 . HD# . . rr_1sso 1 286 1 OR . 1 1 23 23 TRP HH2 H . . . 1 1 42 42 ARG HD2 H . . . . . 4.0 0.0 6.0 . . . . . A . 23 TRP HH2 . . A . 42 ARG HD2 . . . 23 . HH2 . . . . . 42 . HD# . . rr_1sso 1 286 2 OR . 1 1 23 23 TRP HH2 H . . . 1 1 42 42 ARG HD3 H . . . . . 4.0 0.0 6.0 . . . . . A . 23 TRP HH2 . . A . 42 ARG HD3 . . . 23 . HH2 . . . . . 42 . HD# . . rr_1sso 1 287 1 OR . 1 1 23 23 TRP HA H . . . 1 1 58 58 LEU MD1 H . . . . . 4.0 0.0 7.4 . . . . . A . 23 TRP HA . . A . 58 LEU MD1 . . . 23 . HA . . . . . 58 . HD# . . rr_1sso 1 287 2 OR . 1 1 23 23 TRP HA H . . . 1 1 58 58 LEU MD2 H . . . . . 4.0 0.0 7.4 . . . . . A . 23 TRP HA . . A . 58 LEU MD2 . . . 23 . HA . . . . . 58 . HD# . . rr_1sso 1 288 1 . . 1 1 24 24 ARG H H . . . 1 1 24 24 ARG HA H . . . . . 2.5 0.0 2.7 . . . . . A . 24 ARG H . . A . 24 ARG HA . . . 24 . HN . . . . . 24 . HA . . rr_1sso 1 289 1 . . 1 1 24 24 ARG HA H . . . 1 1 25 25 VAL H H . . . . . 2.5 0.0 2.7 . . . . . A . 24 ARG HA . . A . 25 VAL H . . . 24 . HA . . . . . 25 . HN . . rr_1sso 1 290 1 . . 1 1 24 24 ARG HA H . . . 1 1 29 29 ILE HA H . . . . . 3.0 0.0 3.3 . . . . . A . 24 ARG HA . . A . 29 ILE HA . . . 24 . HA . . . . . 29 . HA . . rr_1sso 1 291 1 . . 1 1 29 29 ILE MG H . . . 1 1 24 24 ARG HA H . . . . . 4.0 0.0 5.3 . . . . . A . 29 ILE MG . . A . 24 ARG HA . . . 29 . HG2# . . . . . 24 . HA . . rr_1sso 1 292 1 . . 1 1 24 24 ARG HA H . . . 1 1 29 29 ILE MD H . . . . . 4.0 0.0 5.3 . . . . . A . 24 ARG HA . . A . 29 ILE MD . . . 24 . HA . . . . . 29 . HD1# . . rr_1sso 1 293 1 . . 1 1 30 30 SER H H . . . 1 1 24 24 ARG HA H . . . . . 4.0 0.0 5.0 . . . . . A . 30 SER H . . A . 24 ARG HA . . . 30 . HN . . . . . 24 . HA . . rr_1sso 1 294 1 . . 1 1 25 25 VAL HA H . . . 1 1 25 25 VAL H H . . . . . 4.0 0.0 5.0 . . . . . A . 25 VAL HA . . A . 25 VAL H . . . 25 . HA . . . . . 25 . HN . . rr_1sso 1 295 1 . . 1 1 25 25 VAL HB H . . . 1 1 25 25 VAL H H . . . . . 4.0 0.0 5.0 . . . . . A . 25 VAL HB . . A . 25 VAL H . . . 25 . HB . . . . . 25 . HN . . rr_1sso 1 296 1 . . 1 1 25 25 VAL MG2 H . . . 1 1 25 25 VAL H H . . . . . 4.0 0.0 5.3 . . . . . A . 25 VAL MG2 . . A . 25 VAL H . . . 25 . HG2# . . . . . 25 . HN . . rr_1sso 1 297 1 . . 1 1 25 25 VAL MG1 H . . . 1 1 25 25 VAL H H . . . . . 4.0 0.0 6.3 . . . . . A . 25 VAL MG1 . . A . 25 VAL H . . . 25 . HG1# . . . . . 25 . HN . . rr_1sso 1 298 1 . . 1 1 25 25 VAL HA H . . . 1 1 26 26 GLY H H . . . . . 2.5 0.0 2.7 . . . . . A . 25 VAL HA . . A . 26 GLY H . . . 25 . HA . . . . . 26 . HN . . rr_1sso 1 299 1 . . 1 1 25 25 VAL MG1 H . . . 1 1 26 26 GLY H H . . . . . 4.0 0.0 5.3 . . . . . A . 25 VAL MG1 . . A . 26 GLY H . . . 25 . HG1# . . . . . 26 . HN . . rr_1sso 1 300 1 . . 1 1 25 25 VAL H H . . . 1 1 28 28 MET H H . . . . . 4.0 0.0 5.0 . . . . . A . 25 VAL H . . A . 28 MET H . . . 25 . HN . . . . . 28 . HN . . rr_1sso 1 301 1 . . 1 1 25 25 VAL H H . . . 1 1 29 29 ILE HA H . . . . . 4.0 0.0 5.0 . . . . . A . 25 VAL H . . A . 29 ILE HA . . . 25 . HN . . . . . 29 . HA . . rr_1sso 1 302 1 OR . 1 1 26 26 GLY H H . . . 1 1 26 26 GLY HA2 H . . . . . 3.0 0.0 4.3 . . . . . A . 26 GLY H . . A . 26 GLY HA2 . . . 26 . HN . . . . . 26 . HA# . . rr_1sso 1 302 2 OR . 1 1 26 26 GLY H H . . . 1 1 26 26 GLY HA3 H . . . . . 3.0 0.0 4.3 . . . . . A . 26 GLY H . . A . 26 GLY HA3 . . . 26 . HN . . . . . 26 . HA# . . rr_1sso 1 303 1 . . 1 1 26 26 GLY H H . . . 1 1 27 27 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 26 GLY H . . A . 27 LYS H . . . 26 . HN . . . . . 27 . HN . . rr_1sso 1 304 1 OR . 1 1 27 27 LYS H H . . . 1 1 26 26 GLY HA2 H . . . . . 2.5 0.0 3.7 . . . . . A . 27 LYS H . . A . 26 GLY HA2 . . . 27 . HN . . . . . 26 . HA# . . rr_1sso 1 304 2 OR . 1 1 26 26 GLY HA3 H . . . 1 1 27 27 LYS H H . . . . . 2.5 0.0 3.7 . . . . . A . 26 GLY HA3 . . A . 27 LYS H . . . 26 . HA# . . . . . 27 . HN . . rr_1sso 1 305 1 OR . 1 1 28 28 MET H H . . . 1 1 26 26 GLY HA2 H . . . . . 4.0 0.0 6.0 . . . . . A . 28 MET H . . A . 26 GLY HA2 . . . 28 . HN . . . . . 26 . HA# . . rr_1sso 1 305 2 OR . 1 1 28 28 MET H H . . . 1 1 26 26 GLY HA3 H . . . . . 4.0 0.0 6.0 . . . . . A . 28 MET H . . A . 26 GLY HA3 . . . 28 . HN . . . . . 26 . HA# . . rr_1sso 1 306 1 . . 1 1 27 27 LYS H H . . . 1 1 27 27 LYS HA H . . . . . 3.0 0.0 3.3 . . . . . A . 27 LYS H . . A . 27 LYS HA . . . 27 . HN . . . . . 27 . HA . . rr_1sso 1 307 1 . . 1 1 28 28 MET H H . . . 1 1 27 27 LYS H H . . . . . 3.0 0.0 3.3 . . . . . A . 28 MET H . . A . 27 LYS H . . . 28 . HN . . . . . 27 . HN . . rr_1sso 1 308 1 . . 1 1 28 28 MET H H . . . 1 1 27 27 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 28 MET H . . A . 27 LYS HA . . . 28 . HN . . . . . 27 . HA . . rr_1sso 1 309 1 . . 1 1 28 28 MET H H . . . 1 1 28 28 MET HA H . . . . . 4.0 0.0 5.0 . . . . . A . 28 MET H . . A . 28 MET HA . . . 28 . HN . . . . . 28 . HA . . rr_1sso 1 310 1 . . 1 1 28 28 MET H H . . . 1 1 28 28 MET HB2 H . . . . . 3.0 0.0 3.3 . . . . . A . 28 MET H . . A . 28 MET HB2 . . . 28 . HN . . . . . 28 . HB2 . . rr_1sso 1 311 1 . . 1 1 28 28 MET H H . . . 1 1 28 28 MET HB3 H . . . . . 4.0 0.0 5.0 . . . . . A . 28 MET H . . A . 28 MET HB3 . . . 28 . HN . . . . . 28 . HB1 . . rr_1sso 1 312 1 OR . 1 1 28 28 MET H H . . . 1 1 28 28 MET HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 28 MET H . . A . 28 MET HG2 . . . 28 . HN . . . . . 28 . HG# . . rr_1sso 1 312 2 OR . 1 1 28 28 MET H H . . . 1 1 28 28 MET HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 28 MET H . . A . 28 MET HG3 . . . 28 . HN . . . . . 28 . HG# . . rr_1sso 1 313 1 . . 1 1 28 28 MET HA H . . . 1 1 28 28 MET ME H . . . . . 4.0 0.0 6.3 . . . . . A . 28 MET HA . . A . 28 MET ME . . . 28 . HA . . . . . 28 . HE# . . rr_1sso 1 314 1 . . 1 1 28 28 MET HB2 H . . . 1 1 28 28 MET ME H . . . . . 4.0 0.0 5.3 . . . . . A . 28 MET HB2 . . A . 28 MET ME . . . 28 . HB2 . . . . . 28 . HE# . . rr_1sso 1 315 1 OR . 1 1 28 28 MET ME H . . . 1 1 28 28 MET HG2 H . . . . . 4.0 0.0 6.3 . . . . . A . 28 MET ME . . A . 28 MET HG2 . . . 28 . HE# . . . . . 28 . HG# . . rr_1sso 1 315 2 OR . 1 1 28 28 MET HG3 H . . . 1 1 28 28 MET ME H . . . . . 4.0 0.0 6.3 . . . . . A . 28 MET HG3 . . A . 28 MET ME . . . 28 . HG# . . . . . 28 . HE# . . rr_1sso 1 316 1 . . 1 1 28 28 MET HA H . . . 1 1 29 29 ILE H H . . . . . 2.5 0.0 2.7 . . . . . A . 28 MET HA . . A . 29 ILE H . . . 28 . HA . . . . . 29 . HN . . rr_1sso 1 317 1 . . 1 1 28 28 MET HB2 H . . . 1 1 29 29 ILE H H . . . . . 4.0 0.0 5.0 . . . . . A . 28 MET HB2 . . A . 29 ILE H . . . 28 . HB2 . . . . . 29 . HN . . rr_1sso 1 318 1 . . 1 1 28 28 MET HB3 H . . . 1 1 29 29 ILE H H . . . . . 4.0 0.0 5.0 . . . . . A . 28 MET HB3 . . A . 29 ILE H . . . 28 . HB1 . . . . . 29 . HN . . rr_1sso 1 319 1 . . 1 1 28 28 MET ME H . . . 1 1 29 29 ILE H H . . . . . 4.0 0.0 6.3 . . . . . A . 28 MET ME . . A . 29 ILE H . . . 28 . HE# . . . . . 29 . HN . . rr_1sso 1 320 1 . . 1 1 28 28 MET HB2 H . . . 1 1 44 44 ALA MB H . . . . . 4.0 0.0 6.3 . . . . . A . 28 MET HB2 . . A . 44 ALA MB . . . 28 . HB2 . . . . . 44 . HB# . . rr_1sso 1 321 1 . . 1 1 28 28 MET HB3 H . . . 1 1 44 44 ALA MB H . . . . . 4.0 0.0 5.3 . . . . . A . 28 MET HB3 . . A . 44 ALA MB . . . 28 . HB1 . . . . . 44 . HB# . . rr_1sso 1 322 1 . . 1 1 28 28 MET ME H . . . 1 1 44 44 ALA MB H . . . . . 4.0 0.0 5.6 . . . . . A . 28 MET ME . . A . 44 ALA MB . . . 28 . HE# . . . . . 44 . HB# . . rr_1sso 1 323 1 . . 1 1 28 28 MET ME H . . . 1 1 45 45 VAL H H . . . . . 4.0 0.0 5.3 . . . . . A . 28 MET ME . . A . 45 VAL H . . . 28 . HE# . . . . . 45 . HN . . rr_1sso 1 324 1 . . 1 1 28 28 MET HA H . . . 1 1 46 46 SER HA H . . . . . 3.0 0.0 3.3 . . . . . A . 28 MET HA . . A . 46 SER HA . . . 28 . HA . . . . . 46 . HA . . rr_1sso 1 325 1 . . 1 1 28 28 MET HB2 H . . . 1 1 46 46 SER HA H . . . . . 4.0 0.0 5.0 . . . . . A . 28 MET HB2 . . A . 46 SER HA . . . 28 . HB2 . . . . . 46 . HA . . rr_1sso 1 326 1 . . 1 1 28 28 MET ME H . . . 1 1 46 46 SER HA H . . . . . 4.0 0.0 6.3 . . . . . A . 28 MET ME . . A . 46 SER HA . . . 28 . HE# . . . . . 46 . HA . . rr_1sso 1 327 1 . . 1 1 28 28 MET ME H . . . 1 1 46 46 SER HB2 H . . . . . 4.0 0.0 6.3 . . . . . A . 28 MET ME . . A . 46 SER HB2 . . . 28 . HE# . . . . . 46 . HB2 . . rr_1sso 1 328 1 OR . 1 1 46 46 SER HB2 H . . . 1 1 28 28 MET HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 46 SER HB2 . . A . 28 MET HG2 . . . 46 . HB2 . . . . . 28 . HG# . . rr_1sso 1 328 2 OR . 1 1 28 28 MET HG3 H . . . 1 1 46 46 SER HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 28 MET HG3 . . A . 46 SER HB2 . . . 28 . HG# . . . . . 46 . HB2 . . rr_1sso 1 329 1 . . 1 1 29 29 ILE HA H . . . 1 1 29 29 ILE H H . . . . . 4.0 0.0 5.0 . . . . . A . 29 ILE HA . . A . 29 ILE H . . . 29 . HA . . . . . 29 . HN . . rr_1sso 1 330 1 . . 1 1 29 29 ILE H H . . . 1 1 29 29 ILE HB H . . . . . 3.0 0.0 3.3 . . . . . A . 29 ILE H . . A . 29 ILE HB . . . 29 . HN . . . . . 29 . HB . . rr_1sso 1 331 1 . . 1 1 29 29 ILE MG H . . . 1 1 29 29 ILE H H . . . . . 4.0 0.0 5.3 . . . . . A . 29 ILE MG . . A . 29 ILE H . . . 29 . HG2# . . . . . 29 . HN . . rr_1sso 1 332 1 . . 1 1 29 29 ILE MD H . . . 1 1 29 29 ILE H H . . . . . 4.0 0.0 5.3 . . . . . A . 29 ILE MD . . A . 29 ILE H . . . 29 . HD1# . . . . . 29 . HN . . rr_1sso 1 333 1 OR . 1 1 29 29 ILE H H . . . 1 1 29 29 ILE HG12 H . . . . . 4.0 0.0 6.0 . . . . . A . 29 ILE H . . A . 29 ILE HG12 . . . 29 . HN . . . . . 29 . HG1# . . rr_1sso 1 333 2 OR . 1 1 29 29 ILE H H . . . 1 1 29 29 ILE HG13 H . . . . . 4.0 0.0 6.0 . . . . . A . 29 ILE H . . A . 29 ILE HG13 . . . 29 . HN . . . . . 29 . HG1# . . rr_1sso 1 334 1 . . 1 1 29 29 ILE MG H . . . 1 1 29 29 ILE HA H . . . . . 4.0 0.0 5.3 . . . . . A . 29 ILE MG . . A . 29 ILE HA . . . 29 . HG2# . . . . . 29 . HA . . rr_1sso 1 335 1 . . 1 1 29 29 ILE HA H . . . 1 1 29 29 ILE MD H . . . . . 4.0 0.0 5.3 . . . . . A . 29 ILE HA . . A . 29 ILE MD . . . 29 . HA . . . . . 29 . HD1# . . rr_1sso 1 336 1 . . 1 1 30 30 SER H H . . . 1 1 29 29 ILE HA H . . . . . 2.5 0.0 2.7 . . . . . A . 30 SER H . . A . 29 ILE HA . . . 30 . HN . . . . . 29 . HA . . rr_1sso 1 337 1 . . 1 1 29 29 ILE MG H . . . 1 1 30 30 SER H H . . . . . 4.0 0.0 5.3 . . . . . A . 29 ILE MG . . A . 30 SER H . . . 29 . HG2# . . . . . 30 . HN . . rr_1sso 1 338 1 . . 1 1 30 30 SER H H . . . 1 1 29 29 ILE MD H . . . . . 4.0 0.0 6.3 . . . . . A . 30 SER H . . A . 29 ILE MD . . . 30 . HN . . . . . 29 . HD1# . . rr_1sso 1 339 1 . . 1 1 31 31 PHE QD H . . . 1 1 29 29 ILE MG H . . . . . 4.0 0.0 7.3 . . . . . A . 31 PHE QD . . A . 29 ILE MG . . . 31 . HD# . . . . . 29 . HG2# . . rr_1sso 1 340 1 . . 1 1 31 31 PHE QE H . . . 1 1 29 29 ILE MG H . . . . . 4.0 0.0 8.3 . . . . . A . 31 PHE QE . . A . 29 ILE MG . . . 31 . HE# . . . . . 29 . HG2# . . rr_1sso 1 341 1 . . 1 1 29 29 ILE H H . . . 1 1 44 44 ALA MB H . . . . . 4.0 0.0 6.3 . . . . . A . 29 ILE H . . A . 44 ALA MB . . . 29 . HN . . . . . 44 . HB# . . rr_1sso 1 342 1 . . 1 1 29 29 ILE H H . . . 1 1 45 45 VAL H H . . . . . 4.0 0.0 5.0 . . . . . A . 29 ILE H . . A . 45 VAL H . . . 29 . HN . . . . . 45 . HN . . rr_1sso 1 343 1 . . 1 1 45 45 VAL MG1 H . . . 1 1 29 29 ILE H H . . . . . 4.0 0.0 6.3 . . . . . A . 45 VAL MG1 . . A . 29 ILE H . . . 45 . HG1# . . . . . 29 . HN . . rr_1sso 1 344 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 29 29 ILE H H . . . . . 4.0 0.0 6.3 . . . . . A . 45 VAL MG2 . . A . 29 ILE H . . . 45 . HG2# . . . . . 29 . HN . . rr_1sso 1 345 1 . . 1 1 45 45 VAL MG1 H . . . 1 1 29 29 ILE MG H . . . . . 4.0 0.0 6.6 . . . . . A . 45 VAL MG1 . . A . 29 ILE MG . . . 45 . HG1# . . . . . 29 . HG2# . . rr_1sso 1 346 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 29 29 ILE MG H . . . . . 4.0 0.0 6.6 . . . . . A . 45 VAL MG2 . . A . 29 ILE MG . . . 45 . HG2# . . . . . 29 . HG2# . . rr_1sso 1 347 1 . . 1 1 29 29 ILE H H . . . 1 1 46 46 SER HA H . . . . . 4.0 0.0 5.0 . . . . . A . 29 ILE H . . A . 46 SER HA . . . 29 . HN . . . . . 46 . HA . . rr_1sso 1 348 1 . . 1 1 29 29 ILE H H . . . 1 1 47 47 GLU H H . . . . . 4.0 0.0 5.0 . . . . . A . 29 ILE H . . A . 47 GLU H . . . 29 . HN . . . . . 47 . HN . . rr_1sso 1 349 1 . . 1 1 29 29 ILE MD H . . . 1 1 47 47 GLU HA H . . . . . 4.0 0.0 5.3 . . . . . A . 29 ILE MD . . A . 47 GLU HA . . . 29 . HD1# . . . . . 47 . HA . . rr_1sso 1 350 1 OR . 1 1 47 47 GLU HA H . . . 1 1 29 29 ILE HG12 H . . . . . 3.0 0.0 4.3 . . . . . A . 47 GLU HA . . A . 29 ILE HG12 . . . 47 . HA . . . . . 29 . HG1# . . rr_1sso 1 350 2 OR . 1 1 29 29 ILE HG13 H . . . 1 1 47 47 GLU HA H . . . . . 3.0 0.0 4.3 . . . . . A . 29 ILE HG13 . . A . 47 GLU HA . . . 29 . HG1# . . . . . 47 . HA . . rr_1sso 1 351 1 . . 1 1 29 29 ILE MG H . . . 1 1 50 50 ALA MB H . . . . . 4.0 0.0 6.6 . . . . . A . 29 ILE MG . . A . 50 ALA MB . . . 29 . HG2# . . . . . 50 . HB# . . rr_1sso 1 352 1 . . 1 1 29 29 ILE MD H . . . 1 1 50 50 ALA MB H . . . . . 4.0 0.0 5.6 . . . . . A . 29 ILE MD . . A . 50 ALA MB . . . 29 . HD1# . . . . . 50 . HB# . . rr_1sso 1 353 1 . . 1 1 29 29 ILE MG H . . . 1 1 54 54 LEU HG H . . . . . 4.0 0.0 5.3 . . . . . A . 29 ILE MG . . A . 54 LEU HG . . . 29 . HG2# . . . . . 54 . HG . . rr_1sso 1 354 1 OR . 1 1 29 29 ILE MG H . . . 1 1 54 54 LEU HB2 H . . . . . 4.0 0.0 6.3 . . . . . A . 29 ILE MG . . A . 54 LEU HB2 . . . 29 . HG2# . . . . . 54 . HB# . . rr_1sso 1 354 2 OR . 1 1 29 29 ILE MG H . . . 1 1 54 54 LEU HB3 H . . . . . 4.0 0.0 6.3 . . . . . A . 29 ILE MG . . A . 54 LEU HB3 . . . 29 . HG2# . . . . . 54 . HB# . . rr_1sso 1 355 1 OR . 1 1 29 29 ILE MD H . . . 1 1 55 55 LEU MD1 H . . . . . 4.0 0.0 8.7 . . . . . A . 29 ILE MD . . A . 55 LEU MD1 . . . 29 . HD1# . . . . . 55 . HD# . . rr_1sso 1 355 2 OR . 1 1 29 29 ILE MD H . . . 1 1 55 55 LEU MD2 H . . . . . 4.0 0.0 8.7 . . . . . A . 29 ILE MD . . A . 55 LEU MD2 . . . 29 . HD1# . . . . . 55 . HD# . . rr_1sso 1 356 1 OR . 1 1 29 29 ILE HG12 H . . . 1 1 55 55 LEU MD1 H . . . . . 4.0 0.0 8.4 . . . . . A . 29 ILE HG12 . . A . 55 LEU MD1 . . . 29 . HG1# . . . . . 55 . HD# . . rr_1sso 1 356 2 OR . 1 1 29 29 ILE HG13 H . . . 1 1 55 55 LEU MD1 H . . . . . 4.0 0.0 8.4 . . . . . A . 29 ILE HG13 . . A . 55 LEU MD1 . . . 29 . HG1# . . . . . 55 . HD# . . rr_1sso 1 356 3 OR . 1 1 55 55 LEU MD2 H . . . 1 1 29 29 ILE HG12 H . . . . . 4.0 0.0 8.4 . . . . . A . 55 LEU MD2 . . A . 29 ILE HG12 . . . 55 . HD# . . . . . 29 . HG1# . . rr_1sso 1 356 4 OR . 1 1 29 29 ILE HG13 H . . . 1 1 55 55 LEU MD2 H . . . . . 4.0 0.0 8.4 . . . . . A . 29 ILE HG13 . . A . 55 LEU MD2 . . . 29 . HG1# . . . . . 55 . HD# . . rr_1sso 1 357 1 . . 1 1 30 30 SER H H . . . 1 1 30 30 SER HA H . . . . . 3.0 0.0 3.3 . . . . . A . 30 SER H . . A . 30 SER HA . . . 30 . HN . . . . . 30 . HA . . rr_1sso 1 358 1 . . 1 1 30 30 SER H H . . . 1 1 30 30 SER HB3 H . . . . . 4.0 0.0 5.0 . . . . . A . 30 SER H . . A . 30 SER HB3 . . . 30 . HN . . . . . 30 . HB1 . . rr_1sso 1 359 1 . . 1 1 30 30 SER H H . . . 1 1 30 30 SER HB2 H . . . . . 4.0 0.0 5.0 . . . . . A . 30 SER H . . A . 30 SER HB2 . . . 30 . HN . . . . . 30 . HB2 . . rr_1sso 1 360 1 . . 1 1 30 30 SER HA H . . . 1 1 31 31 PHE H H . . . . . 3.0 0.0 3.3 . . . . . A . 30 SER HA . . A . 31 PHE H . . . 30 . HA . . . . . 31 . HN . . rr_1sso 1 361 1 . . 1 1 31 31 PHE QD H . . . 1 1 30 30 SER HA H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QD . . A . 30 SER HA . . . 31 . HD# . . . . . 30 . HA . . rr_1sso 1 362 1 . . 1 1 30 30 SER HB3 H . . . 1 1 31 31 PHE H H . . . . . 4.0 0.0 5.0 . . . . . A . 30 SER HB3 . . A . 31 PHE H . . . 30 . HB1 . . . . . 31 . HN . . rr_1sso 1 363 1 . . 1 1 30 30 SER HB2 H . . . 1 1 31 31 PHE H H . . . . . 4.0 0.0 5.0 . . . . . A . 30 SER HB2 . . A . 31 PHE H . . . 30 . HB2 . . . . . 31 . HN . . rr_1sso 1 364 1 . . 1 1 30 30 SER HA H . . . 1 1 44 44 ALA HA H . . . . . 2.5 0.0 2.7 . . . . . A . 30 SER HA . . A . 44 ALA HA . . . 30 . HA . . . . . 44 . HA . . rr_1sso 1 365 1 . . 1 1 44 44 ALA MB H . . . 1 1 30 30 SER HA H . . . . . 4.0 0.0 5.3 . . . . . A . 44 ALA MB . . A . 30 SER HA . . . 44 . HB# . . . . . 30 . HA . . rr_1sso 1 366 1 . . 1 1 45 45 VAL H H . . . 1 1 30 30 SER HA H . . . . . 4.0 0.0 5.0 . . . . . A . 45 VAL H . . A . 30 SER HA . . . 45 . HN . . . . . 30 . HA . . rr_1sso 1 367 1 . . 1 1 31 31 PHE HA H . . . 1 1 31 31 PHE H H . . . . . 4.0 0.0 5.0 . . . . . A . 31 PHE HA . . A . 31 PHE H . . . 31 . HA . . . . . 31 . HN . . rr_1sso 1 368 1 OR . 1 1 31 31 PHE H H . . . 1 1 31 31 PHE HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 31 PHE H . . A . 31 PHE HB2 . . . 31 . HN . . . . . 31 . HB# . . rr_1sso 1 368 2 OR . 1 1 31 31 PHE HB3 H . . . 1 1 31 31 PHE H H . . . . . 4.0 0.0 6.0 . . . . . A . 31 PHE HB3 . . A . 31 PHE H . . . 31 . HB# . . . . . 31 . HN . . rr_1sso 1 369 1 . . 1 1 31 31 PHE QD H . . . 1 1 31 31 PHE H H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QD . . A . 31 PHE H . . . 31 . HD# . . . . . 31 . HN . . rr_1sso 1 370 1 OR . 1 1 31 31 PHE HA H . . . 1 1 31 31 PHE HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 31 PHE HA . . A . 31 PHE HB2 . . . 31 . HA . . . . . 31 . HB# . . rr_1sso 1 370 2 OR . 1 1 31 31 PHE HA H . . . 1 1 31 31 PHE HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 31 PHE HA . . A . 31 PHE HB3 . . . 31 . HA . . . . . 31 . HB# . . rr_1sso 1 371 1 . . 1 1 31 31 PHE QD H . . . 1 1 31 31 PHE HA H . . . . . 3.0 0.0 5.3 . . . . . A . 31 PHE QD . . A . 31 PHE HA . . . 31 . HD# . . . . . 31 . HA . . rr_1sso 1 372 1 OR . 1 1 31 31 PHE QD H . . . 1 1 31 31 PHE HB2 H . . . . . 2.5 0.0 5.7 . . . . . A . 31 PHE QD . . A . 31 PHE HB2 . . . 31 . HD# . . . . . 31 . HB# . . rr_1sso 1 372 2 OR . 1 1 31 31 PHE QD H . . . 1 1 31 31 PHE HB3 H . . . . . 2.5 0.0 5.7 . . . . . A . 31 PHE QD . . A . 31 PHE HB3 . . . 31 . HD# . . . . . 31 . HB# . . rr_1sso 1 373 1 OR . 1 1 32 32 THR H H . . . 1 1 31 31 PHE HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 32 THR H . . A . 31 PHE HB2 . . . 32 . HN . . . . . 31 . HB# . . rr_1sso 1 373 2 OR . 1 1 31 31 PHE HB3 H . . . 1 1 32 32 THR H H . . . . . 3.0 0.0 4.3 . . . . . A . 31 PHE HB3 . . A . 32 THR H . . . 31 . HB# . . . . . 32 . HN . . rr_1sso 1 374 1 . . 1 1 31 31 PHE QD H . . . 1 1 32 32 THR H H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QD . . A . 32 THR H . . . 31 . HD# . . . . . 32 . HN . . rr_1sso 1 375 1 . . 1 1 33 33 TYR HA H . . . 1 1 31 31 PHE QD H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR HA . . A . 31 PHE QD . . . 33 . HA . . . . . 31 . HD# . . rr_1sso 1 376 1 OR . 1 1 31 31 PHE QD H . . . 1 1 33 33 TYR HB2 H . . . . . 3.0 0.0 6.3 . . . . . A . 31 PHE QD . . A . 33 TYR HB2 . . . 31 . HD# . . . . . 33 . HB# . . rr_1sso 1 376 2 OR . 1 1 33 33 TYR HB3 H . . . 1 1 31 31 PHE QD H . . . . . 3.0 0.0 6.3 . . . . . A . 33 TYR HB3 . . A . 31 PHE QD . . . 33 . HB# . . . . . 31 . HD# . . rr_1sso 1 377 1 . . 1 1 31 31 PHE QE H . . . 1 1 33 33 TYR QD H . . . . . 3.0 0.0 7.3 . . . . . A . 31 PHE QE . . A . 33 TYR QD . . . 31 . HE# . . . . . 33 . HD# . . rr_1sso 1 378 1 . . 1 1 43 43 GLY H H . . . 1 1 31 31 PHE H H . . . . . 4.0 0.0 5.0 . . . . . A . 43 GLY H . . A . 31 PHE H . . . 43 . HN . . . . . 31 . HN . . rr_1sso 1 379 1 OR . 1 1 31 31 PHE HZ H . . . 1 1 43 43 GLY HA2 H . . . . . 4.0 0.0 6.0 . . . . . A . 31 PHE HZ . . A . 43 GLY HA2 . . . 31 . HZ . . . . . 43 . HA# . . rr_1sso 1 379 2 OR . 1 1 31 31 PHE HZ H . . . 1 1 43 43 GLY HA3 H . . . . . 4.0 0.0 6.0 . . . . . A . 31 PHE HZ . . A . 43 GLY HA3 . . . 31 . HZ . . . . . 43 . HA# . . rr_1sso 1 380 1 OR . 1 1 31 31 PHE QD H . . . 1 1 43 43 GLY HA2 H . . . . . 4.0 0.0 8.0 . . . . . A . 31 PHE QD . . A . 43 GLY HA2 . . . 31 . HD# . . . . . 43 . HA# . . rr_1sso 1 380 2 OR . 1 1 43 43 GLY HA3 H . . . 1 1 31 31 PHE QD H . . . . . 4.0 0.0 8.0 . . . . . A . 43 GLY HA3 . . A . 31 PHE QD . . . 43 . HA# . . . . . 31 . HD# . . rr_1sso 1 381 1 OR . 1 1 31 31 PHE QE H . . . 1 1 43 43 GLY HA2 H . . . . . 4.0 0.0 8.0 . . . . . A . 31 PHE QE . . A . 43 GLY HA2 . . . 31 . HE# . . . . . 43 . HA# . . rr_1sso 1 381 2 OR . 1 1 31 31 PHE QE H . . . 1 1 43 43 GLY HA3 H . . . . . 4.0 0.0 8.0 . . . . . A . 31 PHE QE . . A . 43 GLY HA3 . . . 31 . HE# . . . . . 43 . HA# . . rr_1sso 1 382 1 . . 1 1 31 31 PHE H H . . . 1 1 44 44 ALA HA H . . . . . 4.0 0.0 5.0 . . . . . A . 31 PHE H . . A . 44 ALA HA . . . 31 . HN . . . . . 44 . HA . . rr_1sso 1 383 1 . . 1 1 44 44 ALA MB H . . . 1 1 31 31 PHE H H . . . . . 4.0 0.0 6.3 . . . . . A . 44 ALA MB . . A . 31 PHE H . . . 44 . HB# . . . . . 31 . HN . . rr_1sso 1 384 1 . . 1 1 31 31 PHE QD H . . . 1 1 44 44 ALA HA H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QD . . A . 44 ALA HA . . . 31 . HD# . . . . . 44 . HA . . rr_1sso 1 385 1 . . 1 1 31 31 PHE QD H . . . 1 1 44 44 ALA MB H . . . . . 4.0 0.0 8.3 . . . . . A . 31 PHE QD . . A . 44 ALA MB . . . 31 . HD# . . . . . 44 . HB# . . rr_1sso 1 386 1 . . 1 1 31 31 PHE QE H . . . 1 1 44 44 ALA H H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QE . . A . 44 ALA H . . . 31 . HE# . . . . . 44 . HN . . rr_1sso 1 387 1 . . 1 1 31 31 PHE QE H . . . 1 1 44 44 ALA HA H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QE . . A . 44 ALA HA . . . 31 . HE# . . . . . 44 . HA . . rr_1sso 1 388 1 . . 1 1 31 31 PHE QE H . . . 1 1 44 44 ALA MB H . . . . . 4.0 0.0 8.3 . . . . . A . 31 PHE QE . . A . 44 ALA MB . . . 31 . HE# . . . . . 44 . HB# . . rr_1sso 1 389 1 . . 1 1 31 31 PHE HZ H . . . 1 1 45 45 VAL MG2 H . . . . . 4.0 0.0 5.3 . . . . . A . 31 PHE HZ . . A . 45 VAL MG2 . . . 31 . HZ . . . . . 45 . HG2# . . rr_1sso 1 390 1 . . 1 1 31 31 PHE QD H . . . 1 1 45 45 VAL H H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QD . . A . 45 VAL H . . . 31 . HD# . . . . . 45 . HN . . rr_1sso 1 391 1 . . 1 1 45 45 VAL MG1 H . . . 1 1 31 31 PHE QD H . . . . . 4.0 0.0 7.3 . . . . . A . 45 VAL MG1 . . A . 31 PHE QD . . . 45 . HG1# . . . . . 31 . HD# . . rr_1sso 1 392 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 31 31 PHE QD H . . . . . 4.0 0.0 7.3 . . . . . A . 45 VAL MG2 . . A . 31 PHE QD . . . 45 . HG2# . . . . . 31 . HD# . . rr_1sso 1 393 1 . . 1 1 31 31 PHE QE H . . . 1 1 45 45 VAL H H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QE . . A . 45 VAL H . . . 31 . HE# . . . . . 45 . HN . . rr_1sso 1 394 1 . . 1 1 31 31 PHE QE H . . . 1 1 45 45 VAL HB H . . . . . 4.0 0.0 7.0 . . . . . A . 31 PHE QE . . A . 45 VAL HB . . . 31 . HE# . . . . . 45 . HB . . rr_1sso 1 395 1 . . 1 1 31 31 PHE QE H . . . 1 1 45 45 VAL MG1 H . . . . . 4.0 0.0 7.3 . . . . . A . 31 PHE QE . . A . 45 VAL MG1 . . . 31 . HE# . . . . . 45 . HG1# . . rr_1sso 1 396 1 . . 1 1 31 31 PHE QE H . . . 1 1 45 45 VAL MG2 H . . . . . 4.0 0.0 7.3 . . . . . A . 31 PHE QE . . A . 45 VAL MG2 . . . 31 . HE# . . . . . 45 . HG2# . . rr_1sso 1 397 1 OR . 1 1 31 31 PHE QD H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 10.4 . . . . . A . 31 PHE QD . . A . 54 LEU MD1 . . . 31 . HD# . . . . . 54 . HD# . . rr_1sso 1 397 2 OR . 1 1 31 31 PHE QD H . . . 1 1 54 54 LEU MD2 H . . . . . 4.0 0.0 10.4 . . . . . A . 31 PHE QD . . A . 54 LEU MD2 . . . 31 . HD# . . . . . 54 . HD# . . rr_1sso 1 398 1 OR . 1 1 31 31 PHE QE H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 9.4 . . . . . A . 31 PHE QE . . A . 54 LEU MD1 . . . 31 . HE# . . . . . 54 . HD# . . rr_1sso 1 398 2 OR . 1 1 31 31 PHE QE H . . . 1 1 54 54 LEU MD2 H . . . . . 4.0 0.0 9.4 . . . . . A . 31 PHE QE . . A . 54 LEU MD2 . . . 31 . HE# . . . . . 54 . HD# . . rr_1sso 1 399 1 . . 1 1 32 32 THR H H . . . 1 1 32 32 THR HA H . . . . . 2.5 0.0 2.7 . . . . . A . 32 THR H . . A . 32 THR HA . . . 32 . HN . . . . . 32 . HA . . rr_1sso 1 400 1 . . 1 1 32 32 THR H H . . . 1 1 32 32 THR MG H . . . . . 4.0 0.0 5.3 . . . . . A . 32 THR H . . A . 32 THR MG . . . 32 . HN . . . . . 32 . HG2# . . rr_1sso 1 401 1 . . 1 1 32 32 THR HA H . . . 1 1 32 32 THR HB H . . . . . 3.0 0.0 3.3 . . . . . A . 32 THR HA . . A . 32 THR HB . . . 32 . HA . . . . . 32 . HB . . rr_1sso 1 402 1 . . 1 1 32 32 THR MG H . . . 1 1 32 32 THR HA H . . . . . 4.0 0.0 5.3 . . . . . A . 32 THR MG . . A . 32 THR HA . . . 32 . HG2# . . . . . 32 . HA . . rr_1sso 1 403 1 . . 1 1 32 32 THR HA H . . . 1 1 33 33 TYR H H . . . . . 2.5 0.0 2.7 . . . . . A . 32 THR HA . . A . 33 TYR H . . . 32 . HA . . . . . 33 . HN . . rr_1sso 1 404 1 . . 1 1 33 33 TYR QD H . . . 1 1 32 32 THR HA H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QD . . A . 32 THR HA . . . 33 . HD# . . . . . 32 . HA . . rr_1sso 1 405 1 . . 1 1 32 32 THR MG H . . . 1 1 33 33 TYR H H . . . . . 4.0 0.0 5.3 . . . . . A . 32 THR MG . . A . 33 TYR H . . . 32 . HG2# . . . . . 33 . HN . . rr_1sso 1 406 1 . . 1 1 32 32 THR HA H . . . 1 1 40 40 THR MG H . . . . . 4.0 0.0 6.3 . . . . . A . 32 THR HA . . A . 40 THR MG . . . 32 . HA . . . . . 40 . HG2# . . rr_1sso 1 407 1 . . 1 1 32 32 THR HB H . . . 1 1 40 40 THR MG H . . . . . 4.0 0.0 5.3 . . . . . A . 32 THR HB . . A . 40 THR MG . . . 32 . HB . . . . . 40 . HG2# . . rr_1sso 1 408 1 . . 1 1 32 32 THR HA H . . . 1 1 42 42 ARG HA H . . . . . 2.5 0.0 2.7 . . . . . A . 32 THR HA . . A . 42 ARG HA . . . 32 . HA . . . . . 42 . HA . . rr_1sso 1 409 1 OR . 1 1 32 32 THR HA H . . . 1 1 42 42 ARG HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 32 THR HA . . A . 42 ARG HB2 . . . 32 . HA . . . . . 42 . HB# . . rr_1sso 1 409 2 OR . 1 1 32 32 THR HA H . . . 1 1 42 42 ARG HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 32 THR HA . . A . 42 ARG HB3 . . . 32 . HA . . . . . 42 . HB# . . rr_1sso 1 410 1 OR . 1 1 32 32 THR HA H . . . 1 1 42 42 ARG HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 32 THR HA . . A . 42 ARG HG2 . . . 32 . HA . . . . . 42 . HG# . . rr_1sso 1 410 2 OR . 1 1 32 32 THR HA H . . . 1 1 42 42 ARG HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 32 THR HA . . A . 42 ARG HG3 . . . 32 . HA . . . . . 42 . HG# . . rr_1sso 1 411 1 . . 1 1 32 32 THR HB H . . . 1 1 42 42 ARG HA H . . . . . 4.0 0.0 5.0 . . . . . A . 32 THR HB . . A . 42 ARG HA . . . 32 . HB . . . . . 42 . HA . . rr_1sso 1 412 1 . . 1 1 32 32 THR MG H . . . 1 1 42 42 ARG HA H . . . . . 4.0 0.0 5.3 . . . . . A . 32 THR MG . . A . 42 ARG HA . . . 32 . HG2# . . . . . 42 . HA . . rr_1sso 1 413 1 OR . 1 1 32 32 THR MG H . . . 1 1 42 42 ARG HD2 H . . . . . 4.0 0.0 7.3 . . . . . A . 32 THR MG . . A . 42 ARG HD2 . . . 32 . HG2# . . . . . 42 . HD# . . rr_1sso 1 413 2 OR . 1 1 32 32 THR MG H . . . 1 1 42 42 ARG HD3 H . . . . . 4.0 0.0 7.3 . . . . . A . 32 THR MG . . A . 42 ARG HD3 . . . 32 . HG2# . . . . . 42 . HD# . . rr_1sso 1 414 1 . . 1 1 43 43 GLY H H . . . 1 1 32 32 THR HA H . . . . . 4.0 0.0 5.0 . . . . . A . 43 GLY H . . A . 32 THR HA . . . 43 . HN . . . . . 32 . HA . . rr_1sso 1 415 1 . . 1 1 33 33 TYR HA H . . . 1 1 33 33 TYR H H . . . . . 4.0 0.0 5.0 . . . . . A . 33 TYR HA . . A . 33 TYR H . . . 33 . HA . . . . . 33 . HN . . rr_1sso 1 416 1 OR . 1 1 33 33 TYR H H . . . 1 1 33 33 TYR HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 33 TYR H . . A . 33 TYR HB2 . . . 33 . HN . . . . . 33 . HB# . . rr_1sso 1 416 2 OR . 1 1 33 33 TYR HB3 H . . . 1 1 33 33 TYR H H . . . . . 3.0 0.0 4.3 . . . . . A . 33 TYR HB3 . . A . 33 TYR H . . . 33 . HB# . . . . . 33 . HN . . rr_1sso 1 417 1 . . 1 1 33 33 TYR QD H . . . 1 1 33 33 TYR H H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QD . . A . 33 TYR H . . . 33 . HD# . . . . . 33 . HN . . rr_1sso 1 418 1 . . 1 1 33 33 TYR QE H . . . 1 1 33 33 TYR H H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QE . . A . 33 TYR H . . . 33 . HE# . . . . . 33 . HN . . rr_1sso 1 419 1 OR . 1 1 33 33 TYR HA H . . . 1 1 33 33 TYR HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 33 TYR HA . . A . 33 TYR HB2 . . . 33 . HA . . . . . 33 . HB# . . rr_1sso 1 419 2 OR . 1 1 33 33 TYR HA H . . . 1 1 33 33 TYR HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 33 TYR HA . . A . 33 TYR HB3 . . . 33 . HA . . . . . 33 . HB# . . rr_1sso 1 420 1 . . 1 1 33 33 TYR QD H . . . 1 1 33 33 TYR HA H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QD . . A . 33 TYR HA . . . 33 . HD# . . . . . 33 . HA . . rr_1sso 1 421 1 OR . 1 1 33 33 TYR QD H . . . 1 1 33 33 TYR HB2 H . . . . . 2.5 0.0 5.7 . . . . . A . 33 TYR QD . . A . 33 TYR HB2 . . . 33 . HD# . . . . . 33 . HB# . . rr_1sso 1 421 2 OR . 1 1 33 33 TYR QD H . . . 1 1 33 33 TYR HB3 H . . . . . 2.5 0.0 5.7 . . . . . A . 33 TYR QD . . A . 33 TYR HB3 . . . 33 . HD# . . . . . 33 . HB# . . rr_1sso 1 422 1 OR . 1 1 33 33 TYR QE H . . . 1 1 33 33 TYR HB2 H . . . . . 3.0 0.0 6.3 . . . . . A . 33 TYR QE . . A . 33 TYR HB2 . . . 33 . HE# . . . . . 33 . HB# . . rr_1sso 1 422 2 OR . 1 1 33 33 TYR QE H . . . 1 1 33 33 TYR HB3 H . . . . . 3.0 0.0 6.3 . . . . . A . 33 TYR QE . . A . 33 TYR HB3 . . . 33 . HE# . . . . . 33 . HB# . . rr_1sso 1 423 1 . . 1 1 33 33 TYR HA H . . . 1 1 34 34 ASP H H . . . . . 2.5 0.0 2.7 . . . . . A . 33 TYR HA . . A . 34 ASP H . . . 33 . HA . . . . . 34 . HN . . rr_1sso 1 424 1 OR . 1 1 34 34 ASP H H . . . 1 1 33 33 TYR HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 34 ASP H . . A . 33 TYR HB2 . . . 34 . HN . . . . . 33 . HB# . . rr_1sso 1 424 2 OR . 1 1 33 33 TYR HB3 H . . . 1 1 34 34 ASP H H . . . . . 3.0 0.0 4.3 . . . . . A . 33 TYR HB3 . . A . 34 ASP H . . . 33 . HB# . . . . . 34 . HN . . rr_1sso 1 425 1 . . 1 1 33 33 TYR QD H . . . 1 1 34 34 ASP H H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QD . . A . 34 ASP H . . . 33 . HD# . . . . . 34 . HN . . rr_1sso 1 426 1 . . 1 1 33 33 TYR QD H . . . 1 1 35 35 GLU HA H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QD . . A . 35 GLU HA . . . 33 . HD# . . . . . 35 . HA . . rr_1sso 1 427 1 . . 1 1 33 33 TYR QE H . . . 1 1 35 35 GLU HA H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QE . . A . 35 GLU HA . . . 33 . HE# . . . . . 35 . HA . . rr_1sso 1 428 1 OR . 1 1 33 33 TYR QE H . . . 1 1 35 35 GLU HG2 H . . . . . 4.0 0.0 8.0 . . . . . A . 33 TYR QE . . A . 35 GLU HG2 . . . 33 . HE# . . . . . 35 . HG# . . rr_1sso 1 428 2 OR . 1 1 33 33 TYR QE H . . . 1 1 35 35 GLU HG3 H . . . . . 4.0 0.0 8.0 . . . . . A . 33 TYR QE . . A . 35 GLU HG3 . . . 33 . HE# . . . . . 35 . HG# . . rr_1sso 1 429 1 OR . 1 1 33 33 TYR QE H . . . 1 1 41 41 GLY HA2 H . . . . . 4.0 0.0 8.0 . . . . . A . 33 TYR QE . . A . 41 GLY HA2 . . . 33 . HE# . . . . . 41 . HA# . . rr_1sso 1 429 2 OR . 1 1 33 33 TYR QE H . . . 1 1 41 41 GLY HA3 H . . . . . 4.0 0.0 8.0 . . . . . A . 33 TYR QE . . A . 41 GLY HA3 . . . 33 . HE# . . . . . 41 . HA# . . rr_1sso 1 430 1 . . 1 1 33 33 TYR H H . . . 1 1 42 42 ARG HA H . . . . . 4.0 0.0 5.0 . . . . . A . 33 TYR H . . A . 42 ARG HA . . . 33 . HN . . . . . 42 . HA . . rr_1sso 1 431 1 . . 1 1 33 33 TYR QD H . . . 1 1 42 42 ARG HA H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QD . . A . 42 ARG HA . . . 33 . HD# . . . . . 42 . HA . . rr_1sso 1 432 1 . . 1 1 33 33 TYR QE H . . . 1 1 42 42 ARG HA H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QE . . A . 42 ARG HA . . . 33 . HE# . . . . . 42 . HA . . rr_1sso 1 433 1 . . 1 1 33 33 TYR QD H . . . 1 1 43 43 GLY H H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QD . . A . 43 GLY H . . . 33 . HD# . . . . . 43 . HN . . rr_1sso 1 434 1 . . 1 1 33 33 TYR QE H . . . 1 1 43 43 GLY H H . . . . . 4.0 0.0 7.0 . . . . . A . 33 TYR QE . . A . 43 GLY H . . . 33 . HE# . . . . . 43 . HN . . rr_1sso 1 435 1 . . 1 1 34 34 ASP H H . . . 1 1 34 34 ASP HA H . . . . . 4.0 0.0 5.0 . . . . . A . 34 ASP H . . A . 34 ASP HA . . . 34 . HN . . . . . 34 . HA . . rr_1sso 1 436 1 OR . 1 1 34 34 ASP H H . . . 1 1 34 34 ASP HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 34 ASP H . . A . 34 ASP HB2 . . . 34 . HN . . . . . 34 . HB# . . rr_1sso 1 436 2 OR . 1 1 34 34 ASP H H . . . 1 1 34 34 ASP HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 34 ASP H . . A . 34 ASP HB3 . . . 34 . HN . . . . . 34 . HB# . . rr_1sso 1 437 1 . . 1 1 34 34 ASP HA H . . . 1 1 35 35 GLU H H . . . . . 2.5 0.0 2.7 . . . . . A . 34 ASP HA . . A . 35 GLU H . . . 34 . HA . . . . . 35 . HN . . rr_1sso 1 438 1 . . 1 1 34 34 ASP HA H . . . 1 1 40 40 THR HA H . . . . . 4.0 0.0 5.0 . . . . . A . 34 ASP HA . . A . 40 THR HA . . . 34 . HA . . . . . 40 . HA . . rr_1sso 1 439 1 . . 1 1 40 40 THR MG H . . . 1 1 34 34 ASP HA H . . . . . 4.0 0.0 5.3 . . . . . A . 40 THR MG . . A . 34 ASP HA . . . 40 . HG2# . . . . . 34 . HA . . rr_1sso 1 440 1 . . 1 1 35 35 GLU HA H . . . 1 1 35 35 GLU H H . . . . . 3.0 0.0 3.3 . . . . . A . 35 GLU HA . . A . 35 GLU H . . . 35 . HA . . . . . 35 . HN . . rr_1sso 1 441 1 OR . 1 1 35 35 GLU H H . . . 1 1 35 35 GLU HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 35 GLU H . . A . 35 GLU HB2 . . . 35 . HN . . . . . 35 . HB# . . rr_1sso 1 441 2 OR . 1 1 35 35 GLU H H . . . 1 1 35 35 GLU HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 35 GLU H . . A . 35 GLU HB3 . . . 35 . HN . . . . . 35 . HB# . . rr_1sso 1 442 1 . . 1 1 35 35 GLU H H . . . 1 1 40 40 THR HA H . . . . . 4.0 0.0 5.0 . . . . . A . 35 GLU H . . A . 40 THR HA . . . 35 . HN . . . . . 40 . HA . . rr_1sso 1 443 1 OR . 1 1 36 36 GLY H H . . . 1 1 36 36 GLY HA2 H . . . . . 3.0 0.0 4.3 . . . . . A . 36 GLY H . . A . 36 GLY HA2 . . . 36 . HN . . . . . 36 . HA# . . rr_1sso 1 443 2 OR . 1 1 36 36 GLY H H . . . 1 1 36 36 GLY HA3 H . . . . . 3.0 0.0 4.3 . . . . . A . 36 GLY H . . A . 36 GLY HA3 . . . 36 . HN . . . . . 36 . HA# . . rr_1sso 1 444 1 . . 1 1 36 36 GLY H H . . . 1 1 37 37 GLY H H . . . . . 4.0 0.0 5.0 . . . . . A . 36 GLY H . . A . 37 GLY H . . . 36 . HN . . . . . 37 . HN . . rr_1sso 1 445 1 OR . 1 1 37 37 GLY H H . . . 1 1 36 36 GLY HA2 H . . . . . 2.5 0.0 3.7 . . . . . A . 37 GLY H . . A . 36 GLY HA2 . . . 37 . HN . . . . . 36 . HA# . . rr_1sso 1 445 2 OR . 1 1 36 36 GLY HA3 H . . . 1 1 37 37 GLY H H . . . . . 2.5 0.0 3.7 . . . . . A . 36 GLY HA3 . . A . 37 GLY H . . . 36 . HA# . . . . . 37 . HN . . rr_1sso 1 446 1 . . 1 1 36 36 GLY H H . . . 1 1 38 38 GLY H H . . . . . 4.0 0.0 5.0 . . . . . A . 36 GLY H . . A . 38 GLY H . . . 36 . HN . . . . . 38 . HN . . rr_1sso 1 447 1 . . 1 1 37 37 GLY H H . . . 1 1 38 38 GLY H H . . . . . 3.0 0.0 3.3 . . . . . A . 37 GLY H . . A . 38 GLY H . . . 37 . HN . . . . . 38 . HN . . rr_1sso 1 448 1 OR . 1 1 38 38 GLY H H . . . 1 1 38 38 GLY HA2 H . . . . . 3.0 0.0 4.3 . . . . . A . 38 GLY H . . A . 38 GLY HA2 . . . 38 . HN . . . . . 38 . HA# . . rr_1sso 1 448 2 OR . 1 1 38 38 GLY H H . . . 1 1 38 38 GLY HA3 H . . . . . 3.0 0.0 4.3 . . . . . A . 38 GLY H . . A . 38 GLY HA3 . . . 38 . HN . . . . . 38 . HA# . . rr_1sso 1 449 1 . . 1 1 38 38 GLY H H . . . 1 1 39 39 LYS H H . . . . . 3.0 0.0 3.3 . . . . . A . 38 GLY H . . A . 39 LYS H . . . 38 . HN . . . . . 39 . HN . . rr_1sso 1 450 1 . . 1 1 39 39 LYS H H . . . 1 1 39 39 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 39 LYS H . . A . 39 LYS HA . . . 39 . HN . . . . . 39 . HA . . rr_1sso 1 451 1 OR . 1 1 39 39 LYS H H . . . 1 1 39 39 LYS HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 39 LYS H . . A . 39 LYS HB2 . . . 39 . HN . . . . . 39 . HB# . . rr_1sso 1 451 2 OR . 1 1 39 39 LYS H H . . . 1 1 39 39 LYS HB3 H . . . . . 2.5 0.0 3.7 . . . . . A . 39 LYS H . . A . 39 LYS HB3 . . . 39 . HN . . . . . 39 . HB# . . rr_1sso 1 452 1 OR . 1 1 39 39 LYS H H . . . 1 1 39 39 LYS HD2 H . . . . . 4.0 0.0 7.0 . . . . . A . 39 LYS H . . A . 39 LYS HD2 . . . 39 . HN . . . . . 39 . HD# . . rr_1sso 1 452 2 OR . 1 1 39 39 LYS H H . . . 1 1 39 39 LYS HD3 H . . . . . 4.0 0.0 7.0 . . . . . A . 39 LYS H . . A . 39 LYS HD3 . . . 39 . HN . . . . . 39 . HD# . . rr_1sso 1 453 1 OR . 1 1 39 39 LYS H H . . . 1 1 39 39 LYS HE2 H . . . . . 4.0 0.0 6.0 . . . . . A . 39 LYS H . . A . 39 LYS HE2 . . . 39 . HN . . . . . 39 . HE# . . rr_1sso 1 453 2 OR . 1 1 39 39 LYS H H . . . 1 1 39 39 LYS HE3 H . . . . . 4.0 0.0 6.0 . . . . . A . 39 LYS H . . A . 39 LYS HE3 . . . 39 . HN . . . . . 39 . HE# . . rr_1sso 1 454 1 OR . 1 1 39 39 LYS HB3 H . . . 1 1 39 39 LYS HE2 H . . . . . 4.0 0.0 7.0 . . . . . A . 39 LYS HB3 . . A . 39 LYS HE2 . . . 39 . HB# . . . . . 39 . HE# . . rr_1sso 1 454 2 OR . 1 1 39 39 LYS HB2 H . . . 1 1 39 39 LYS HE2 H . . . . . 4.0 0.0 7.0 . . . . . A . 39 LYS HB2 . . A . 39 LYS HE2 . . . 39 . HB# . . . . . 39 . HE# . . rr_1sso 1 454 3 OR . 1 1 39 39 LYS HE3 H . . . 1 1 39 39 LYS HB2 H . . . . . 4.0 0.0 7.0 . . . . . A . 39 LYS HE3 . . A . 39 LYS HB2 . . . 39 . HE# . . . . . 39 . HB# . . rr_1sso 1 454 4 OR . 1 1 39 39 LYS HB3 H . . . 1 1 39 39 LYS HE3 H . . . . . 4.0 0.0 7.0 . . . . . A . 39 LYS HB3 . . A . 39 LYS HE3 . . . 39 . HB# . . . . . 39 . HE# . . rr_1sso 1 455 1 . . 1 1 39 39 LYS HA H . . . 1 1 40 40 THR H H . . . . . 3.0 0.0 3.3 . . . . . A . 39 LYS HA . . A . 40 THR H . . . 39 . HA . . . . . 40 . HN . . rr_1sso 1 456 1 . . 1 1 40 40 THR HA H . . . 1 1 40 40 THR H H . . . . . 2.5 0.0 2.7 . . . . . A . 40 THR HA . . A . 40 THR H . . . 40 . HA . . . . . 40 . HN . . rr_1sso 1 457 1 . . 1 1 40 40 THR H H . . . 1 1 40 40 THR HB H . . . . . 4.0 0.0 5.0 . . . . . A . 40 THR H . . A . 40 THR HB . . . 40 . HN . . . . . 40 . HB . . rr_1sso 1 458 1 . . 1 1 40 40 THR MG H . . . 1 1 40 40 THR H H . . . . . 4.0 0.0 5.3 . . . . . A . 40 THR MG . . A . 40 THR H . . . 40 . HG2# . . . . . 40 . HN . . rr_1sso 1 459 1 . . 1 1 40 40 THR MG H . . . 1 1 40 40 THR HB H . . . . . 4.0 0.0 5.3 . . . . . A . 40 THR MG . . A . 40 THR HB . . . 40 . HG2# . . . . . 40 . HB . . rr_1sso 1 460 1 . . 1 1 40 40 THR HA H . . . 1 1 41 41 GLY H H . . . . . 4.0 0.0 5.0 . . . . . A . 40 THR HA . . A . 41 GLY H . . . 40 . HA . . . . . 41 . HN . . rr_1sso 1 461 1 . . 1 1 40 40 THR MG H . . . 1 1 41 41 GLY H H . . . . . 4.0 0.0 5.3 . . . . . A . 40 THR MG . . A . 41 GLY H . . . 40 . HG2# . . . . . 41 . HN . . rr_1sso 1 462 1 OR . 1 1 41 41 GLY H H . . . 1 1 41 41 GLY HA2 H . . . . . 3.0 0.0 4.3 . . . . . A . 41 GLY H . . A . 41 GLY HA2 . . . 41 . HN . . . . . 41 . HA# . . rr_1sso 1 462 2 OR . 1 1 41 41 GLY HA3 H . . . 1 1 41 41 GLY H H . . . . . 3.0 0.0 4.3 . . . . . A . 41 GLY HA3 . . A . 41 GLY H . . . 41 . HA# . . . . . 41 . HN . . rr_1sso 1 463 1 . . 1 1 41 41 GLY H H . . . 1 1 42 42 ARG H H . . . . . 4.0 0.0 5.0 . . . . . A . 41 GLY H . . A . 42 ARG H . . . 41 . HN . . . . . 42 . HN . . rr_1sso 1 464 1 OR . 1 1 42 42 ARG H H . . . 1 1 41 41 GLY HA2 H . . . . . 3.0 0.0 4.3 . . . . . A . 42 ARG H . . A . 41 GLY HA2 . . . 42 . HN . . . . . 41 . HA# . . rr_1sso 1 464 2 OR . 1 1 41 41 GLY HA3 H . . . 1 1 42 42 ARG H H . . . . . 3.0 0.0 4.3 . . . . . A . 41 GLY HA3 . . A . 42 ARG H . . . 41 . HA# . . . . . 42 . HN . . rr_1sso 1 465 1 . . 1 1 42 42 ARG HA H . . . 1 1 42 42 ARG H H . . . . . 2.5 0.0 2.7 . . . . . A . 42 ARG HA . . A . 42 ARG H . . . 42 . HA . . . . . 42 . HN . . rr_1sso 1 466 1 OR . 1 1 42 42 ARG H H . . . 1 1 42 42 ARG HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 42 ARG H . . A . 42 ARG HB2 . . . 42 . HN . . . . . 42 . HB# . . rr_1sso 1 466 2 OR . 1 1 42 42 ARG HB3 H . . . 1 1 42 42 ARG H H . . . . . 4.0 0.0 6.0 . . . . . A . 42 ARG HB3 . . A . 42 ARG H . . . 42 . HB# . . . . . 42 . HN . . rr_1sso 1 467 1 OR . 1 1 42 42 ARG H H . . . 1 1 42 42 ARG HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 42 ARG H . . A . 42 ARG HG2 . . . 42 . HN . . . . . 42 . HG# . . rr_1sso 1 467 2 OR . 1 1 42 42 ARG HG3 H . . . 1 1 42 42 ARG H H . . . . . 4.0 0.0 6.0 . . . . . A . 42 ARG HG3 . . A . 42 ARG H . . . 42 . HG# . . . . . 42 . HN . . rr_1sso 1 468 1 OR . 1 1 42 42 ARG H H . . . 1 1 42 42 ARG HD2 H . . . . . 4.0 0.0 7.0 . . . . . A . 42 ARG H . . A . 42 ARG HD2 . . . 42 . HN . . . . . 42 . HD# . . rr_1sso 1 468 2 OR . 1 1 42 42 ARG HD3 H . . . 1 1 42 42 ARG H H . . . . . 4.0 0.0 7.0 . . . . . A . 42 ARG HD3 . . A . 42 ARG H . . . 42 . HD# . . . . . 42 . HN . . rr_1sso 1 469 1 OR . 1 1 42 42 ARG HA H . . . 1 1 42 42 ARG HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 42 ARG HA . . A . 42 ARG HB2 . . . 42 . HA . . . . . 42 . HB# . . rr_1sso 1 469 2 OR . 1 1 42 42 ARG HA H . . . 1 1 42 42 ARG HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 42 ARG HA . . A . 42 ARG HB3 . . . 42 . HA . . . . . 42 . HB# . . rr_1sso 1 470 1 OR . 1 1 42 42 ARG HA H . . . 1 1 42 42 ARG HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 42 ARG HA . . A . 42 ARG HG2 . . . 42 . HA . . . . . 42 . HG# . . rr_1sso 1 470 2 OR . 1 1 42 42 ARG HA H . . . 1 1 42 42 ARG HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 42 ARG HA . . A . 42 ARG HG3 . . . 42 . HA . . . . . 42 . HG# . . rr_1sso 1 471 1 OR . 1 1 42 42 ARG HA H . . . 1 1 42 42 ARG HD2 H . . . . . 4.0 0.0 7.0 . . . . . A . 42 ARG HA . . A . 42 ARG HD2 . . . 42 . HA . . . . . 42 . HD# . . rr_1sso 1 471 2 OR . 1 1 42 42 ARG HD3 H . . . 1 1 42 42 ARG HA H . . . . . 4.0 0.0 7.0 . . . . . A . 42 ARG HD3 . . A . 42 ARG HA . . . 42 . HD# . . . . . 42 . HA . . rr_1sso 1 472 1 . . 1 1 43 43 GLY H H . . . 1 1 42 42 ARG HA H . . . . . 2.5 0.0 2.7 . . . . . A . 43 GLY H . . A . 42 ARG HA . . . 43 . HN . . . . . 42 . HA . . rr_1sso 1 473 1 OR . 1 1 43 43 GLY H H . . . 1 1 43 43 GLY HA2 H . . . . . 4.0 0.0 6.0 . . . . . A . 43 GLY H . . A . 43 GLY HA2 . . . 43 . HN . . . . . 43 . HA# . . rr_1sso 1 473 2 OR . 1 1 43 43 GLY H H . . . 1 1 43 43 GLY HA3 H . . . . . 4.0 0.0 6.0 . . . . . A . 43 GLY H . . A . 43 GLY HA3 . . . 43 . HN . . . . . 43 . HA# . . rr_1sso 1 474 1 OR . 1 1 44 44 ALA H H . . . 1 1 43 43 GLY HA2 H . . . . . 3.0 0.0 4.3 . . . . . A . 44 ALA H . . A . 43 GLY HA2 . . . 44 . HN . . . . . 43 . HA# . . rr_1sso 1 474 2 OR . 1 1 43 43 GLY HA3 H . . . 1 1 44 44 ALA H H . . . . . 3.0 0.0 4.3 . . . . . A . 43 GLY HA3 . . A . 44 ALA H . . . 43 . HA# . . . . . 44 . HN . . rr_1sso 1 475 1 . . 1 1 44 44 ALA H H . . . 1 1 44 44 ALA HA H . . . . . 4.0 0.0 5.0 . . . . . A . 44 ALA H . . A . 44 ALA HA . . . 44 . HN . . . . . 44 . HA . . rr_1sso 1 476 1 . . 1 1 44 44 ALA H H . . . 1 1 44 44 ALA MB H . . . . . 4.0 0.0 5.3 . . . . . A . 44 ALA H . . A . 44 ALA MB . . . 44 . HN . . . . . 44 . HB# . . rr_1sso 1 477 1 . . 1 1 45 45 VAL H H . . . 1 1 44 44 ALA HA H . . . . . 2.5 0.0 2.7 . . . . . A . 45 VAL H . . A . 44 ALA HA . . . 45 . HN . . . . . 44 . HA . . rr_1sso 1 478 1 . . 1 1 44 44 ALA MB H . . . 1 1 45 45 VAL H H . . . . . 4.0 0.0 5.3 . . . . . A . 44 ALA MB . . A . 45 VAL H . . . 44 . HB# . . . . . 45 . HN . . rr_1sso 1 479 1 . . 1 1 45 45 VAL H H . . . 1 1 45 45 VAL HA H . . . . . 4.0 0.0 5.0 . . . . . A . 45 VAL H . . A . 45 VAL HA . . . 45 . HN . . . . . 45 . HA . . rr_1sso 1 480 1 . . 1 1 45 45 VAL H H . . . 1 1 45 45 VAL HB H . . . . . 4.0 0.0 5.0 . . . . . A . 45 VAL H . . A . 45 VAL HB . . . 45 . HN . . . . . 45 . HB . . rr_1sso 1 481 1 . . 1 1 45 45 VAL MG1 H . . . 1 1 45 45 VAL H H . . . . . 4.0 0.0 5.3 . . . . . A . 45 VAL MG1 . . A . 45 VAL H . . . 45 . HG1# . . . . . 45 . HN . . rr_1sso 1 482 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 45 45 VAL H H . . . . . 4.0 0.0 5.3 . . . . . A . 45 VAL MG2 . . A . 45 VAL H . . . 45 . HG2# . . . . . 45 . HN . . rr_1sso 1 483 1 . . 1 1 45 45 VAL HA H . . . 1 1 46 46 SER H H . . . . . 2.5 0.0 2.7 . . . . . A . 45 VAL HA . . A . 46 SER H . . . 45 . HA . . . . . 46 . HN . . rr_1sso 1 484 1 . . 1 1 45 45 VAL HB H . . . 1 1 46 46 SER H H . . . . . 4.0 0.0 5.0 . . . . . A . 45 VAL HB . . A . 46 SER H . . . 45 . HB . . . . . 46 . HN . . rr_1sso 1 485 1 . . 1 1 45 45 VAL MG1 H . . . 1 1 46 46 SER H H . . . . . 4.0 0.0 5.3 . . . . . A . 45 VAL MG1 . . A . 46 SER H . . . 45 . HG1# . . . . . 46 . HN . . rr_1sso 1 486 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 46 46 SER H H . . . . . 4.0 0.0 5.3 . . . . . A . 45 VAL MG2 . . A . 46 SER H . . . 45 . HG2# . . . . . 46 . HN . . rr_1sso 1 487 1 OR . 1 1 45 45 VAL MG1 H . . . 1 1 49 49 ASP HB2 H . . . . . 4.0 0.0 6.3 . . . . . A . 45 VAL MG1 . . A . 49 ASP HB2 . . . 45 . HG1# . . . . . 49 . HB# . . rr_1sso 1 487 2 OR . 1 1 45 45 VAL MG1 H . . . 1 1 49 49 ASP HB3 H . . . . . 4.0 0.0 6.3 . . . . . A . 45 VAL MG1 . . A . 49 ASP HB3 . . . 45 . HG1# . . . . . 49 . HB# . . rr_1sso 1 488 1 . . 1 1 45 45 VAL MG1 H . . . 1 1 50 50 ALA HA H . . . . . 4.0 0.0 5.3 . . . . . A . 45 VAL MG1 . . A . 50 ALA HA . . . 45 . HG1# . . . . . 50 . HA . . rr_1sso 1 489 1 . . 1 1 45 45 VAL MG1 H . . . 1 1 50 50 ALA MB H . . . . . 4.0 0.0 5.6 . . . . . A . 45 VAL MG1 . . A . 50 ALA MB . . . 45 . HG1# . . . . . 50 . HB# . . rr_1sso 1 490 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 50 50 ALA HA H . . . . . 4.0 0.0 5.3 . . . . . A . 45 VAL MG2 . . A . 50 ALA HA . . . 45 . HG2# . . . . . 50 . HA . . rr_1sso 1 491 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 50 50 ALA MB H . . . . . 4.0 0.0 5.6 . . . . . A . 45 VAL MG2 . . A . 50 ALA MB . . . 45 . HG2# . . . . . 50 . HB# . . rr_1sso 1 492 1 . . 1 1 46 46 SER HA H . . . 1 1 46 46 SER H H . . . . . 4.0 0.0 5.0 . . . . . A . 46 SER HA . . A . 46 SER H . . . 46 . HA . . . . . 46 . HN . . rr_1sso 1 493 1 . . 1 1 46 46 SER H H . . . 1 1 46 46 SER HB3 H . . . . . 4.0 0.0 5.0 . . . . . A . 46 SER H . . A . 46 SER HB3 . . . 46 . HN . . . . . 46 . HB1 . . rr_1sso 1 494 1 . . 1 1 46 46 SER HB2 H . . . 1 1 46 46 SER H H . . . . . 4.0 0.0 5.0 . . . . . A . 46 SER HB2 . . A . 46 SER H . . . 46 . HB2 . . . . . 46 . HN . . rr_1sso 1 495 1 . . 1 1 46 46 SER HA H . . . 1 1 46 46 SER HB3 H . . . . . 4.0 0.0 5.0 . . . . . A . 46 SER HA . . A . 46 SER HB3 . . . 46 . HA . . . . . 46 . HB1 . . rr_1sso 1 496 1 . . 1 1 46 46 SER HA H . . . 1 1 46 46 SER HB2 H . . . . . 3.0 0.0 3.3 . . . . . A . 46 SER HA . . A . 46 SER HB2 . . . 46 . HA . . . . . 46 . HB2 . . rr_1sso 1 497 1 . . 1 1 47 47 GLU H H . . . 1 1 46 46 SER H H . . . . . 4.0 0.0 5.0 . . . . . A . 47 GLU H . . A . 46 SER H . . . 47 . HN . . . . . 46 . HN . . rr_1sso 1 498 1 . . 1 1 46 46 SER HA H . . . 1 1 47 47 GLU H H . . . . . 2.5 0.0 2.7 . . . . . A . 46 SER HA . . A . 47 GLU H . . . 46 . HA . . . . . 47 . HN . . rr_1sso 1 499 1 . . 1 1 47 47 GLU H H . . . 1 1 46 46 SER HB3 H . . . . . 4.0 0.0 5.0 . . . . . A . 47 GLU H . . A . 46 SER HB3 . . . 47 . HN . . . . . 46 . HB1 . . rr_1sso 1 500 1 . . 1 1 46 46 SER HB2 H . . . 1 1 47 47 GLU H H . . . . . 4.0 0.0 5.0 . . . . . A . 46 SER HB2 . . A . 47 GLU H . . . 46 . HB2 . . . . . 47 . HN . . rr_1sso 1 501 1 . . 1 1 46 46 SER HB2 H . . . 1 1 48 48 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 46 SER HB2 . . A . 48 LYS H . . . 46 . HB2 . . . . . 48 . HN . . rr_1sso 1 502 1 OR . 1 1 46 46 SER H H . . . 1 1 49 49 ASP HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 46 SER H . . A . 49 ASP HB2 . . . 46 . HN . . . . . 49 . HB# . . rr_1sso 1 502 2 OR . 1 1 46 46 SER H H . . . 1 1 49 49 ASP HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 46 SER H . . A . 49 ASP HB3 . . . 46 . HN . . . . . 49 . HB# . . rr_1sso 1 503 1 . . 1 1 46 46 SER HB2 H . . . 1 1 49 49 ASP H H . . . . . 4.0 0.0 5.0 . . . . . A . 46 SER HB2 . . A . 49 ASP H . . . 46 . HB2 . . . . . 49 . HN . . rr_1sso 1 504 1 . . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HA H . . . . . 4.0 0.0 5.0 . . . . . A . 47 GLU H . . A . 47 GLU HA . . . 47 . HN . . . . . 47 . HA . . rr_1sso 1 505 1 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 47 GLU H . . A . 47 GLU HB2 . . . 47 . HN . . . . . 47 . HB# . . rr_1sso 1 505 2 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 47 GLU H . . A . 47 GLU HB3 . . . 47 . HN . . . . . 47 . HB# . . rr_1sso 1 506 1 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HG2 H . . . . . 4.0 0.0 7.0 . . . . . A . 47 GLU H . . A . 47 GLU HG2 . . . 47 . HN . . . . . 47 . HG# . . rr_1sso 1 506 2 OR . 1 1 47 47 GLU H H . . . 1 1 47 47 GLU HG3 H . . . . . 4.0 0.0 7.0 . . . . . A . 47 GLU H . . A . 47 GLU HG3 . . . 47 . HN . . . . . 47 . HG# . . rr_1sso 1 507 1 OR . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 47 GLU HA . . A . 47 GLU HB2 . . . 47 . HA . . . . . 47 . HB# . . rr_1sso 1 507 2 OR . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HB3 H . . . . . 2.5 0.0 3.7 . . . . . A . 47 GLU HA . . A . 47 GLU HB3 . . . 47 . HA . . . . . 47 . HB# . . rr_1sso 1 508 1 OR . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 47 GLU HA . . A . 47 GLU HG2 . . . 47 . HA . . . . . 47 . HG# . . rr_1sso 1 508 2 OR . 1 1 47 47 GLU HA H . . . 1 1 47 47 GLU HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 47 GLU HA . . A . 47 GLU HG3 . . . 47 . HA . . . . . 47 . HG# . . rr_1sso 1 509 1 . . 1 1 47 47 GLU H H . . . 1 1 48 48 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 47 GLU H . . A . 48 LYS H . . . 47 . HN . . . . . 48 . HN . . rr_1sso 1 510 1 . . 1 1 47 47 GLU HA H . . . 1 1 48 48 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 47 GLU HA . . A . 48 LYS H . . . 47 . HA . . . . . 48 . HN . . rr_1sso 1 511 1 OR . 1 1 48 48 LYS H H . . . 1 1 47 47 GLU HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 48 LYS H . . A . 47 GLU HB2 . . . 48 . HN . . . . . 47 . HB# . . rr_1sso 1 511 2 OR . 1 1 48 48 LYS H H . . . 1 1 47 47 GLU HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 48 LYS H . . A . 47 GLU HB3 . . . 48 . HN . . . . . 47 . HB# . . rr_1sso 1 512 1 OR . 1 1 48 48 LYS H H . . . 1 1 47 47 GLU HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 48 LYS H . . A . 47 GLU HG2 . . . 48 . HN . . . . . 47 . HG# . . rr_1sso 1 512 2 OR . 1 1 48 48 LYS H H . . . 1 1 47 47 GLU HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 48 LYS H . . A . 47 GLU HG3 . . . 48 . HN . . . . . 47 . HG# . . rr_1sso 1 513 1 . . 1 1 47 47 GLU HA H . . . 1 1 50 50 ALA H H . . . . . 4.0 0.0 5.0 . . . . . A . 47 GLU HA . . A . 50 ALA H . . . 47 . HA . . . . . 50 . HN . . rr_1sso 1 514 1 . . 1 1 47 47 GLU HA H . . . 1 1 50 50 ALA MB H . . . . . 4.0 0.0 5.3 . . . . . A . 47 GLU HA . . A . 50 ALA MB . . . 47 . HA . . . . . 50 . HB# . . rr_1sso 1 515 1 OR . 1 1 47 47 GLU HA H . . . 1 1 55 55 LEU MD1 H . . . . . 4.0 0.0 7.4 . . . . . A . 47 GLU HA . . A . 55 LEU MD1 . . . 47 . HA . . . . . 55 . HD# . . rr_1sso 1 515 2 OR . 1 1 47 47 GLU HA H . . . 1 1 55 55 LEU MD2 H . . . . . 4.0 0.0 7.4 . . . . . A . 47 GLU HA . . A . 55 LEU MD2 . . . 47 . HA . . . . . 55 . HD# . . rr_1sso 1 516 1 . . 1 1 48 48 LYS H H . . . 1 1 48 48 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 48 LYS H . . A . 48 LYS HA . . . 48 . HN . . . . . 48 . HA . . rr_1sso 1 517 1 OR . 1 1 48 48 LYS H H . . . 1 1 48 48 LYS HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 48 LYS H . . A . 48 LYS HB2 . . . 48 . HN . . . . . 48 . HB# . . rr_1sso 1 517 2 OR . 1 1 48 48 LYS H H . . . 1 1 48 48 LYS HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 48 LYS H . . A . 48 LYS HB3 . . . 48 . HN . . . . . 48 . HB# . . rr_1sso 1 518 1 OR . 1 1 48 48 LYS H H . . . 1 1 48 48 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 48 LYS H . . A . 48 LYS HG2 . . . 48 . HN . . . . . 48 . HG# . . rr_1sso 1 518 2 OR . 1 1 48 48 LYS H H . . . 1 1 48 48 LYS HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 48 LYS H . . A . 48 LYS HG3 . . . 48 . HN . . . . . 48 . HG# . . rr_1sso 1 519 1 . . 1 1 48 48 LYS H H . . . 1 1 49 49 ASP H H . . . . . 4.0 0.0 5.0 . . . . . A . 48 LYS H . . A . 49 ASP H . . . 48 . HN . . . . . 49 . HN . . rr_1sso 1 520 1 . . 1 1 49 49 ASP H H . . . 1 1 48 48 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 49 ASP H . . A . 48 LYS HA . . . 49 . HN . . . . . 48 . HA . . rr_1sso 1 521 1 . . 1 1 48 48 LYS H H . . . 1 1 50 50 ALA H H . . . . . 4.0 0.0 5.0 . . . . . A . 48 LYS H . . A . 50 ALA H . . . 48 . HN . . . . . 50 . HN . . rr_1sso 1 522 1 . . 1 1 49 49 ASP H H . . . 1 1 49 49 ASP HA H . . . . . 4.0 0.0 5.0 . . . . . A . 49 ASP H . . A . 49 ASP HA . . . 49 . HN . . . . . 49 . HA . . rr_1sso 1 523 1 OR . 1 1 49 49 ASP H H . . . 1 1 49 49 ASP HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 49 ASP H . . A . 49 ASP HB2 . . . 49 . HN . . . . . 49 . HB# . . rr_1sso 1 523 2 OR . 1 1 49 49 ASP HB3 H . . . 1 1 49 49 ASP H H . . . . . 3.0 0.0 4.3 . . . . . A . 49 ASP HB3 . . A . 49 ASP H . . . 49 . HB# . . . . . 49 . HN . . rr_1sso 1 524 1 . . 1 1 49 49 ASP H H . . . 1 1 50 50 ALA H H . . . . . 2.5 0.0 2.7 . . . . . A . 49 ASP H . . A . 50 ALA H . . . 49 . HN . . . . . 50 . HN . . rr_1sso 1 525 1 . . 1 1 50 50 ALA MB H . . . 1 1 49 49 ASP H H . . . . . 4.0 0.0 6.3 . . . . . A . 50 ALA MB . . A . 49 ASP H . . . 50 . HB# . . . . . 49 . HN . . rr_1sso 1 526 1 . . 1 1 50 50 ALA H H . . . 1 1 49 49 ASP HA H . . . . . 4.0 0.0 5.0 . . . . . A . 50 ALA H . . A . 49 ASP HA . . . 50 . HN . . . . . 49 . HA . . rr_1sso 1 527 1 OR . 1 1 50 50 ALA H H . . . 1 1 49 49 ASP HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 50 ALA H . . A . 49 ASP HB2 . . . 50 . HN . . . . . 49 . HB# . . rr_1sso 1 527 2 OR . 1 1 49 49 ASP HB3 H . . . 1 1 50 50 ALA H H . . . . . 4.0 0.0 6.0 . . . . . A . 49 ASP HB3 . . A . 50 ALA H . . . 49 . HB# . . . . . 50 . HN . . rr_1sso 1 528 1 . . 1 1 50 50 ALA HA H . . . 1 1 50 50 ALA H H . . . . . 4.0 0.0 5.0 . . . . . A . 50 ALA HA . . A . 50 ALA H . . . 50 . HA . . . . . 50 . HN . . rr_1sso 1 529 1 . . 1 1 50 50 ALA MB H . . . 1 1 50 50 ALA H H . . . . . 3.0 0.0 3.6 . . . . . A . 50 ALA MB . . A . 50 ALA H . . . 50 . HB# . . . . . 50 . HN . . rr_1sso 1 530 1 . . 1 1 50 50 ALA MB H . . . 1 1 50 50 ALA HA H . . . . . 4.0 0.0 5.3 . . . . . A . 50 ALA MB . . A . 50 ALA HA . . . 50 . HB# . . . . . 50 . HA . . rr_1sso 1 531 1 OR . 1 1 50 50 ALA HA H . . . 1 1 51 51 PRO HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 50 ALA HA . . A . 51 PRO HG2 . . . 50 . HA . . . . . 51 . HG# . . rr_1sso 1 531 2 OR . 1 1 50 50 ALA HA H . . . 1 1 51 51 PRO HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 50 ALA HA . . A . 51 PRO HG3 . . . 50 . HA . . . . . 51 . HG# . . rr_1sso 1 532 1 OR . 1 1 50 50 ALA HA H . . . 1 1 51 51 PRO HD2 H . . . . . 2.5 0.0 3.7 . . . . . A . 50 ALA HA . . A . 51 PRO HD2 . . . 50 . HA . . . . . 51 . HD# . . rr_1sso 1 532 2 OR . 1 1 51 51 PRO HD3 H . . . 1 1 50 50 ALA HA H . . . . . 2.5 0.0 3.7 . . . . . A . 51 PRO HD3 . . A . 50 ALA HA . . . 51 . HD# . . . . . 50 . HA . . rr_1sso 1 533 1 OR . 1 1 50 50 ALA MB H . . . 1 1 51 51 PRO HD2 H . . . . . 4.0 0.0 6.3 . . . . . A . 50 ALA MB . . A . 51 PRO HD2 . . . 50 . HB# . . . . . 51 . HD# . . rr_1sso 1 533 2 OR . 1 1 51 51 PRO HD3 H . . . 1 1 50 50 ALA MB H . . . . . 4.0 0.0 6.3 . . . . . A . 51 PRO HD3 . . A . 50 ALA MB . . . 51 . HD# . . . . . 50 . HB# . . rr_1sso 1 534 1 OR . 1 1 50 50 ALA MB H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 7.7 . . . . . A . 50 ALA MB . . A . 54 LEU MD1 . . . 50 . HB# . . . . . 54 . HD# . . rr_1sso 1 534 2 OR . 1 1 54 54 LEU MD2 H . . . 1 1 50 50 ALA MB H . . . . . 4.0 0.0 7.7 . . . . . A . 54 LEU MD2 . . A . 50 ALA MB . . . 54 . HD# . . . . . 50 . HB# . . rr_1sso 1 535 1 . . 1 1 50 50 ALA MB H . . . 1 1 55 55 LEU H H . . . . . 4.0 0.0 6.3 . . . . . A . 50 ALA MB . . A . 55 LEU H . . . 50 . HB# . . . . . 55 . HN . . rr_1sso 1 536 1 . . 1 1 50 50 ALA MB H . . . 1 1 55 55 LEU HG H . . . . . 4.0 0.0 5.3 . . . . . A . 50 ALA MB . . A . 55 LEU HG . . . 50 . HB# . . . . . 55 . HG . . rr_1sso 1 537 1 OR . 1 1 50 50 ALA MB H . . . 1 1 55 55 LEU MD1 H . . . . . 4.0 0.0 7.7 . . . . . A . 50 ALA MB . . A . 55 LEU MD1 . . . 50 . HB# . . . . . 55 . HD# . . rr_1sso 1 537 2 OR . 1 1 50 50 ALA MB H . . . 1 1 55 55 LEU MD2 H . . . . . 4.0 0.0 7.7 . . . . . A . 50 ALA MB . . A . 55 LEU MD2 . . . 50 . HB# . . . . . 55 . HD# . . rr_1sso 1 538 1 . . 1 1 51 51 PRO HA H . . . 1 1 52 52 LYS H H . . . . . 2.5 0.0 2.7 . . . . . A . 51 PRO HA . . A . 52 LYS H . . . 51 . HA . . . . . 52 . HN . . rr_1sso 1 539 1 OR . 1 1 52 52 LYS H H . . . 1 1 51 51 PRO HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 52 LYS H . . A . 51 PRO HB2 . . . 52 . HN . . . . . 51 . HB# . . rr_1sso 1 539 2 OR . 1 1 51 51 PRO HB3 H . . . 1 1 52 52 LYS H H . . . . . 4.0 0.0 6.0 . . . . . A . 51 PRO HB3 . . A . 52 LYS H . . . 51 . HB# . . . . . 52 . HN . . rr_1sso 1 540 1 OR . 1 1 53 53 GLU H H . . . 1 1 51 51 PRO HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 53 GLU H . . A . 51 PRO HB2 . . . 53 . HN . . . . . 51 . HB# . . rr_1sso 1 540 2 OR . 1 1 51 51 PRO HB3 H . . . 1 1 53 53 GLU H H . . . . . 4.0 0.0 6.0 . . . . . A . 51 PRO HB3 . . A . 53 GLU H . . . 51 . HB# . . . . . 53 . HN . . rr_1sso 1 541 1 OR . 1 1 51 51 PRO HD3 H . . . 1 1 54 54 LEU HB2 H . . . . . 4.0 0.0 7.0 . . . . . A . 51 PRO HD3 . . A . 54 LEU HB2 . . . 51 . HD# . . . . . 54 . HB# . . rr_1sso 1 541 2 OR . 1 1 51 51 PRO HD2 H . . . 1 1 54 54 LEU HB2 H . . . . . 4.0 0.0 7.0 . . . . . A . 51 PRO HD2 . . A . 54 LEU HB2 . . . 51 . HD# . . . . . 54 . HB# . . rr_1sso 1 541 3 OR . 1 1 54 54 LEU HB3 H . . . 1 1 51 51 PRO HD2 H . . . . . 4.0 0.0 7.0 . . . . . A . 54 LEU HB3 . . A . 51 PRO HD2 . . . 54 . HB# . . . . . 51 . HD# . . rr_1sso 1 541 4 OR . 1 1 51 51 PRO HD3 H . . . 1 1 54 54 LEU HB3 H . . . . . 4.0 0.0 7.0 . . . . . A . 51 PRO HD3 . . A . 54 LEU HB3 . . . 51 . HD# . . . . . 54 . HB# . . rr_1sso 1 542 1 OR . 1 1 51 51 PRO HD3 H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 8.4 . . . . . A . 51 PRO HD3 . . A . 54 LEU MD1 . . . 51 . HD# . . . . . 54 . HD# . . rr_1sso 1 542 2 OR . 1 1 51 51 PRO HD2 H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 8.4 . . . . . A . 51 PRO HD2 . . A . 54 LEU MD1 . . . 51 . HD# . . . . . 54 . HD# . . rr_1sso 1 542 3 OR . 1 1 54 54 LEU MD2 H . . . 1 1 51 51 PRO HD2 H . . . . . 4.0 0.0 8.4 . . . . . A . 54 LEU MD2 . . A . 51 PRO HD2 . . . 54 . HD# . . . . . 51 . HD# . . rr_1sso 1 542 4 OR . 1 1 51 51 PRO HD3 H . . . 1 1 54 54 LEU MD2 H . . . . . 4.0 0.0 8.4 . . . . . A . 51 PRO HD3 . . A . 54 LEU MD2 . . . 51 . HD# . . . . . 54 . HD# . . rr_1sso 1 543 1 . . 1 1 52 52 LYS H H . . . 1 1 52 52 LYS HA H . . . . . 3.0 0.0 3.3 . . . . . A . 52 LYS H . . A . 52 LYS HA . . . 52 . HN . . . . . 52 . HA . . rr_1sso 1 544 1 OR . 1 1 52 52 LYS H H . . . 1 1 52 52 LYS HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 52 LYS H . . A . 52 LYS HB2 . . . 52 . HN . . . . . 52 . HB# . . rr_1sso 1 544 2 OR . 1 1 52 52 LYS H H . . . 1 1 52 52 LYS HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 52 LYS H . . A . 52 LYS HB3 . . . 52 . HN . . . . . 52 . HB# . . rr_1sso 1 545 1 OR . 1 1 52 52 LYS H H . . . 1 1 52 52 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 52 LYS H . . A . 52 LYS HG2 . . . 52 . HN . . . . . 52 . HG# . . rr_1sso 1 545 2 OR . 1 1 52 52 LYS H H . . . 1 1 52 52 LYS HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 52 LYS H . . A . 52 LYS HG3 . . . 52 . HN . . . . . 52 . HG# . . rr_1sso 1 546 1 OR . 1 1 52 52 LYS H H . . . 1 1 52 52 LYS HD2 H . . . . . 4.0 0.0 6.0 . . . . . A . 52 LYS H . . A . 52 LYS HD2 . . . 52 . HN . . . . . 52 . HD# . . rr_1sso 1 546 2 OR . 1 1 52 52 LYS H H . . . 1 1 52 52 LYS HD3 H . . . . . 4.0 0.0 6.0 . . . . . A . 52 LYS H . . A . 52 LYS HD3 . . . 52 . HN . . . . . 52 . HD# . . rr_1sso 1 547 1 . . 1 1 52 52 LYS H H . . . 1 1 53 53 GLU H H . . . . . 4.0 0.0 5.0 . . . . . A . 52 LYS H . . A . 53 GLU H . . . 52 . HN . . . . . 53 . HN . . rr_1sso 1 548 1 OR . 1 1 53 53 GLU H H . . . 1 1 52 52 LYS HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 53 GLU H . . A . 52 LYS HG2 . . . 53 . HN . . . . . 52 . HG# . . rr_1sso 1 548 2 OR . 1 1 53 53 GLU H H . . . 1 1 52 52 LYS HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 53 GLU H . . A . 52 LYS HG3 . . . 53 . HN . . . . . 52 . HG# . . rr_1sso 1 549 1 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 53 GLU H . . A . 53 GLU HB2 . . . 53 . HN . . . . . 53 . HB# . . rr_1sso 1 549 2 OR . 1 1 53 53 GLU HB3 H . . . 1 1 53 53 GLU H H . . . . . 3.0 0.0 4.3 . . . . . A . 53 GLU HB3 . . A . 53 GLU H . . . 53 . HB# . . . . . 53 . HN . . rr_1sso 1 550 1 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 53 GLU H . . A . 53 GLU HG2 . . . 53 . HN . . . . . 53 . HG# . . rr_1sso 1 550 2 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 53 GLU H . . A . 53 GLU HG3 . . . 53 . HN . . . . . 53 . HG# . . rr_1sso 1 551 1 . . 1 1 53 53 GLU H H . . . 1 1 54 54 LEU H H . . . . . 4.0 0.0 5.0 . . . . . A . 53 GLU H . . A . 54 LEU H . . . 53 . HN . . . . . 54 . HN . . rr_1sso 1 552 1 OR . 1 1 53 53 GLU HA H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 7.4 . . . . . A . 53 GLU HA . . A . 54 LEU MD1 . . . 53 . HA . . . . . 54 . HD# . . rr_1sso 1 552 2 OR . 1 1 54 54 LEU MD2 H . . . 1 1 53 53 GLU HA H . . . . . 4.0 0.0 7.4 . . . . . A . 54 LEU MD2 . . A . 53 GLU HA . . . 54 . HD# . . . . . 53 . HA . . rr_1sso 1 553 1 OR . 1 1 53 53 GLU HA H . . . 1 1 56 56 GLN HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 53 GLU HA . . A . 56 GLN HB2 . . . 53 . HA . . . . . 56 . HB# . . rr_1sso 1 553 2 OR . 1 1 53 53 GLU HA H . . . 1 1 56 56 GLN HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 53 GLU HA . . A . 56 GLN HB3 . . . 53 . HA . . . . . 56 . HB# . . rr_1sso 1 554 1 . . 1 1 54 54 LEU H H . . . 1 1 54 54 LEU HA H . . . . . 3.0 0.0 3.3 . . . . . A . 54 LEU H . . A . 54 LEU HA . . . 54 . HN . . . . . 54 . HA . . rr_1sso 1 555 1 . . 1 1 54 54 LEU HG H . . . 1 1 54 54 LEU H H . . . . . 4.0 0.0 5.0 . . . . . A . 54 LEU HG . . A . 54 LEU H . . . 54 . HG . . . . . 54 . HN . . rr_1sso 1 556 1 OR . 1 1 54 54 LEU H H . . . 1 1 54 54 LEU HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 54 LEU H . . A . 54 LEU HB2 . . . 54 . HN . . . . . 54 . HB# . . rr_1sso 1 556 2 OR . 1 1 54 54 LEU HB3 H . . . 1 1 54 54 LEU H H . . . . . 2.5 0.0 3.7 . . . . . A . 54 LEU HB3 . . A . 54 LEU H . . . 54 . HB# . . . . . 54 . HN . . rr_1sso 1 557 1 OR . 1 1 54 54 LEU H H . . . 1 1 54 54 LEU MD1 H . . . . . 2.5 0.0 5.1 . . . . . A . 54 LEU H . . A . 54 LEU MD1 . . . 54 . HN . . . . . 54 . HD# . . rr_1sso 1 557 2 OR . 1 1 54 54 LEU MD2 H . . . 1 1 54 54 LEU H H . . . . . 2.5 0.0 5.1 . . . . . A . 54 LEU MD2 . . A . 54 LEU H . . . 54 . HD# . . . . . 54 . HN . . rr_1sso 1 558 1 OR . 1 1 54 54 LEU HA H . . . 1 1 54 54 LEU HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 54 LEU HA . . A . 54 LEU HB2 . . . 54 . HA . . . . . 54 . HB# . . rr_1sso 1 558 2 OR . 1 1 54 54 LEU HB3 H . . . 1 1 54 54 LEU HA H . . . . . 2.5 0.0 3.7 . . . . . A . 54 LEU HB3 . . A . 54 LEU HA . . . 54 . HB# . . . . . 54 . HA . . rr_1sso 1 559 1 OR . 1 1 54 54 LEU HA H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 7.4 . . . . . A . 54 LEU HA . . A . 54 LEU MD1 . . . 54 . HA . . . . . 54 . HD# . . rr_1sso 1 559 2 OR . 1 1 54 54 LEU MD2 H . . . 1 1 54 54 LEU HA H . . . . . 4.0 0.0 7.4 . . . . . A . 54 LEU MD2 . . A . 54 LEU HA . . . 54 . HD# . . . . . 54 . HA . . rr_1sso 1 560 1 OR . 1 1 54 54 LEU HG H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 7.4 . . . . . A . 54 LEU HG . . A . 54 LEU MD1 . . . 54 . HG . . . . . 54 . HD# . . rr_1sso 1 560 2 OR . 1 1 54 54 LEU MD2 H . . . 1 1 54 54 LEU HG H . . . . . 4.0 0.0 7.4 . . . . . A . 54 LEU MD2 . . A . 54 LEU HG . . . 54 . HD# . . . . . 54 . HG . . rr_1sso 1 561 1 OR . 1 1 54 54 LEU HB2 H . . . 1 1 54 54 LEU MD1 H . . . . . 3.0 0.0 6.7 . . . . . A . 54 LEU HB2 . . A . 54 LEU MD1 . . . 54 . HB# . . . . . 54 . HD# . . rr_1sso 1 561 2 OR . 1 1 54 54 LEU HB3 H . . . 1 1 54 54 LEU MD1 H . . . . . 3.0 0.0 6.7 . . . . . A . 54 LEU HB3 . . A . 54 LEU MD1 . . . 54 . HB# . . . . . 54 . HD# . . rr_1sso 1 561 3 OR . 1 1 54 54 LEU MD2 H . . . 1 1 54 54 LEU HB2 H . . . . . 3.0 0.0 6.7 . . . . . A . 54 LEU MD2 . . A . 54 LEU HB2 . . . 54 . HD# . . . . . 54 . HB# . . rr_1sso 1 561 4 OR . 1 1 54 54 LEU MD2 H . . . 1 1 54 54 LEU HB3 H . . . . . 3.0 0.0 6.7 . . . . . A . 54 LEU MD2 . . A . 54 LEU HB3 . . . 54 . HD# . . . . . 54 . HB# . . rr_1sso 1 562 1 . . 1 1 55 55 LEU H H . . . 1 1 54 54 LEU H H . . . . . 3.0 0.0 4.0 . . . . . A . 55 LEU H . . A . 54 LEU H . . . 55 . HN . . . . . 54 . HN . . rr_1sso 1 563 1 . . 1 1 55 55 LEU H H . . . 1 1 54 54 LEU HA H . . . . . 4.0 0.0 5.0 . . . . . A . 55 LEU H . . A . 54 LEU HA . . . 55 . HN . . . . . 54 . HA . . rr_1sso 1 564 1 OR . 1 1 55 55 LEU H H . . . 1 1 54 54 LEU HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 55 LEU H . . A . 54 LEU HB2 . . . 55 . HN . . . . . 54 . HB# . . rr_1sso 1 564 2 OR . 1 1 54 54 LEU HB3 H . . . 1 1 55 55 LEU H H . . . . . 4.0 0.0 6.0 . . . . . A . 54 LEU HB3 . . A . 55 LEU H . . . 54 . HB# . . . . . 55 . HN . . rr_1sso 1 565 1 OR . 1 1 55 55 LEU H H . . . 1 1 54 54 LEU MD1 H . . . . . 4.0 0.0 8.4 . . . . . A . 55 LEU H . . A . 54 LEU MD1 . . . 55 . HN . . . . . 54 . HD# . . rr_1sso 1 565 2 OR . 1 1 54 54 LEU MD2 H . . . 1 1 55 55 LEU H H . . . . . 4.0 0.0 8.4 . . . . . A . 54 LEU MD2 . . A . 55 LEU H . . . 54 . HD# . . . . . 55 . HN . . rr_1sso 1 566 1 OR . 1 1 54 54 LEU HA H . . . 1 1 56 56 GLN HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 54 LEU HA . . A . 56 GLN HB2 . . . 54 . HA . . . . . 56 . HB# . . rr_1sso 1 566 2 OR . 1 1 56 56 GLN HB3 H . . . 1 1 54 54 LEU HA H . . . . . 3.0 0.0 4.3 . . . . . A . 56 GLN HB3 . . A . 54 LEU HA . . . 56 . HB# . . . . . 54 . HA . . rr_1sso 1 567 1 OR . 1 1 54 54 LEU HA H . . . 1 1 56 56 GLN HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 54 LEU HA . . A . 56 GLN HG2 . . . 54 . HA . . . . . 56 . HG# . . rr_1sso 1 567 2 OR . 1 1 54 54 LEU HA H . . . 1 1 56 56 GLN HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 54 LEU HA . . A . 56 GLN HG3 . . . 54 . HA . . . . . 56 . HG# . . rr_1sso 1 568 1 . . 1 1 55 55 LEU H H . . . 1 1 55 55 LEU HA H . . . . . 3.0 0.0 3.3 . . . . . A . 55 LEU H . . A . 55 LEU HA . . . 55 . HN . . . . . 55 . HA . . rr_1sso 1 569 1 . . 1 1 55 55 LEU H H . . . 1 1 55 55 LEU HG H . . . . . 2.5 0.0 2.7 . . . . . A . 55 LEU H . . A . 55 LEU HG . . . 55 . HN . . . . . 55 . HG . . rr_1sso 1 570 1 OR . 1 1 55 55 LEU H H . . . 1 1 55 55 LEU HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 55 LEU H . . A . 55 LEU HB2 . . . 55 . HN . . . . . 55 . HB# . . rr_1sso 1 570 2 OR . 1 1 55 55 LEU H H . . . 1 1 55 55 LEU HB3 H . . . . . 2.5 0.0 3.7 . . . . . A . 55 LEU H . . A . 55 LEU HB3 . . . 55 . HN . . . . . 55 . HB# . . rr_1sso 1 571 1 OR . 1 1 55 55 LEU H H . . . 1 1 55 55 LEU MD1 H . . . . . 4.0 0.0 7.4 . . . . . A . 55 LEU H . . A . 55 LEU MD1 . . . 55 . HN . . . . . 55 . HD# . . rr_1sso 1 571 2 OR . 1 1 55 55 LEU MD2 H . . . 1 1 55 55 LEU H H . . . . . 4.0 0.0 7.4 . . . . . A . 55 LEU MD2 . . A . 55 LEU H . . . 55 . HD# . . . . . 55 . HN . . rr_1sso 1 572 1 . . 1 1 55 55 LEU H H . . . 1 1 56 56 GLN H H . . . . . 3.0 0.0 3.3 . . . . . A . 55 LEU H . . A . 56 GLN H . . . 55 . HN . . . . . 56 . HN . . rr_1sso 1 573 1 . . 1 1 55 55 LEU HA H . . . 1 1 56 56 GLN H H . . . . . 4.0 0.0 5.0 . . . . . A . 55 LEU HA . . A . 56 GLN H . . . 55 . HA . . . . . 56 . HN . . rr_1sso 1 574 1 . . 1 1 55 55 LEU HG H . . . 1 1 56 56 GLN H H . . . . . 4.0 0.0 5.0 . . . . . A . 55 LEU HG . . A . 56 GLN H . . . 55 . HG . . . . . 56 . HN . . rr_1sso 1 575 1 OR . 1 1 56 56 GLN H H . . . 1 1 55 55 LEU HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 56 GLN H . . A . 55 LEU HB2 . . . 56 . HN . . . . . 55 . HB# . . rr_1sso 1 575 2 OR . 1 1 55 55 LEU HB3 H . . . 1 1 56 56 GLN H H . . . . . 4.0 0.0 6.0 . . . . . A . 55 LEU HB3 . . A . 56 GLN H . . . 55 . HB# . . . . . 56 . HN . . rr_1sso 1 576 1 OR . 1 1 56 56 GLN H H . . . 1 1 55 55 LEU MD1 H . . . . . 4.0 0.0 8.4 . . . . . A . 56 GLN H . . A . 55 LEU MD1 . . . 56 . HN . . . . . 55 . HD# . . rr_1sso 1 576 2 OR . 1 1 55 55 LEU MD2 H . . . 1 1 56 56 GLN H H . . . . . 4.0 0.0 8.4 . . . . . A . 55 LEU MD2 . . A . 56 GLN H . . . 55 . HD# . . . . . 56 . HN . . rr_1sso 1 577 1 . . 1 1 55 55 LEU HA H . . . 1 1 58 58 LEU H H . . . . . 4.0 0.0 5.0 . . . . . A . 55 LEU HA . . A . 58 LEU H . . . 55 . HA . . . . . 58 . HN . . rr_1sso 1 578 1 . . 1 1 56 56 GLN H H . . . 1 1 56 56 GLN HA H . . . . . 3.0 0.0 3.3 . . . . . A . 56 GLN H . . A . 56 GLN HA . . . 56 . HN . . . . . 56 . HA . . rr_1sso 1 579 1 OR . 1 1 56 56 GLN H H . . . 1 1 56 56 GLN HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 56 GLN H . . A . 56 GLN HB2 . . . 56 . HN . . . . . 56 . HB# . . rr_1sso 1 579 2 OR . 1 1 56 56 GLN HB3 H . . . 1 1 56 56 GLN H H . . . . . 3.0 0.0 4.3 . . . . . A . 56 GLN HB3 . . A . 56 GLN H . . . 56 . HB# . . . . . 56 . HN . . rr_1sso 1 580 1 OR . 1 1 56 56 GLN H H . . . 1 1 56 56 GLN HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 56 GLN H . . A . 56 GLN HG2 . . . 56 . HN . . . . . 56 . HG# . . rr_1sso 1 580 2 OR . 1 1 56 56 GLN HG3 H . . . 1 1 56 56 GLN H H . . . . . 4.0 0.0 6.0 . . . . . A . 56 GLN HG3 . . A . 56 GLN H . . . 56 . HG# . . . . . 56 . HN . . rr_1sso 1 581 1 OR . 1 1 56 56 GLN HA H . . . 1 1 56 56 GLN HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 56 GLN HA . . A . 56 GLN HB2 . . . 56 . HA . . . . . 56 . HB# . . rr_1sso 1 581 2 OR . 1 1 56 56 GLN HB3 H . . . 1 1 56 56 GLN HA H . . . . . 2.5 0.0 3.7 . . . . . A . 56 GLN HB3 . . A . 56 GLN HA . . . 56 . HB# . . . . . 56 . HA . . rr_1sso 1 582 1 . . 1 1 56 56 GLN H H . . . 1 1 57 57 MET H H . . . . . 3.0 0.0 3.3 . . . . . A . 56 GLN H . . A . 57 MET H . . . 56 . HN . . . . . 57 . HN . . rr_1sso 1 583 1 . . 1 1 56 56 GLN HA H . . . 1 1 57 57 MET H H . . . . . 4.0 0.0 5.0 . . . . . A . 56 GLN HA . . A . 57 MET H . . . 56 . HA . . . . . 57 . HN . . rr_1sso 1 584 1 OR . 1 1 57 57 MET H H . . . 1 1 56 56 GLN HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 57 MET H . . A . 56 GLN HB2 . . . 57 . HN . . . . . 56 . HB# . . rr_1sso 1 584 2 OR . 1 1 56 56 GLN HB3 H . . . 1 1 57 57 MET H H . . . . . 4.0 0.0 6.0 . . . . . A . 56 GLN HB3 . . A . 57 MET H . . . 56 . HB# . . . . . 57 . HN . . rr_1sso 1 585 1 . . 1 1 57 57 MET H H . . . 1 1 57 57 MET HA H . . . . . 4.0 0.0 5.0 . . . . . A . 57 MET H . . A . 57 MET HA . . . 57 . HN . . . . . 57 . HA . . rr_1sso 1 586 1 OR . 1 1 57 57 MET H H . . . 1 1 57 57 MET HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 57 MET H . . A . 57 MET HB2 . . . 57 . HN . . . . . 57 . HB# . . rr_1sso 1 586 2 OR . 1 1 57 57 MET H H . . . 1 1 57 57 MET HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 57 MET H . . A . 57 MET HB3 . . . 57 . HN . . . . . 57 . HB# . . rr_1sso 1 587 1 OR . 1 1 57 57 MET H H . . . 1 1 57 57 MET HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 57 MET H . . A . 57 MET HG2 . . . 57 . HN . . . . . 57 . HG# . . rr_1sso 1 587 2 OR . 1 1 57 57 MET H H . . . 1 1 57 57 MET HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 57 MET H . . A . 57 MET HG3 . . . 57 . HN . . . . . 57 . HG# . . rr_1sso 1 588 1 . . 1 1 57 57 MET ME H . . . 1 1 57 57 MET HA H . . . . . 4.0 0.0 5.3 . . . . . A . 57 MET ME . . A . 57 MET HA . . . 57 . HE# . . . . . 57 . HA . . rr_1sso 1 589 1 OR . 1 1 57 57 MET HA H . . . 1 1 57 57 MET HB2 H . . . . . 2.5 0.0 3.7 . . . . . A . 57 MET HA . . A . 57 MET HB2 . . . 57 . HA . . . . . 57 . HB# . . rr_1sso 1 589 2 OR . 1 1 57 57 MET HA H . . . 1 1 57 57 MET HB3 H . . . . . 2.5 0.0 3.7 . . . . . A . 57 MET HA . . A . 57 MET HB3 . . . 57 . HA . . . . . 57 . HB# . . rr_1sso 1 590 1 OR . 1 1 57 57 MET HA H . . . 1 1 57 57 MET HG2 H . . . . . 3.0 0.0 4.3 . . . . . A . 57 MET HA . . A . 57 MET HG2 . . . 57 . HA . . . . . 57 . HG# . . rr_1sso 1 590 2 OR . 1 1 57 57 MET HA H . . . 1 1 57 57 MET HG3 H . . . . . 3.0 0.0 4.3 . . . . . A . 57 MET HA . . A . 57 MET HG3 . . . 57 . HA . . . . . 57 . HG# . . rr_1sso 1 591 1 OR . 1 1 57 57 MET ME H . . . 1 1 57 57 MET HG2 H . . . . . 4.0 0.0 6.3 . . . . . A . 57 MET ME . . A . 57 MET HG2 . . . 57 . HE# . . . . . 57 . HG# . . rr_1sso 1 591 2 OR . 1 1 57 57 MET ME H . . . 1 1 57 57 MET HG3 H . . . . . 4.0 0.0 6.3 . . . . . A . 57 MET ME . . A . 57 MET HG3 . . . 57 . HE# . . . . . 57 . HG# . . rr_1sso 1 592 1 . . 1 1 58 58 LEU H H . . . 1 1 57 57 MET H H . . . . . 2.5 0.0 2.7 . . . . . A . 58 LEU H . . A . 57 MET H . . . 58 . HN . . . . . 57 . HN . . rr_1sso 1 593 1 . . 1 1 58 58 LEU H H . . . 1 1 57 57 MET HA H . . . . . 4.0 0.0 5.0 . . . . . A . 58 LEU H . . A . 57 MET HA . . . 58 . HN . . . . . 57 . HA . . rr_1sso 1 594 1 OR . 1 1 58 58 LEU H H . . . 1 1 57 57 MET HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 58 LEU H . . A . 57 MET HB2 . . . 58 . HN . . . . . 57 . HB# . . rr_1sso 1 594 2 OR . 1 1 58 58 LEU H H . . . 1 1 57 57 MET HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 58 LEU H . . A . 57 MET HB3 . . . 58 . HN . . . . . 57 . HB# . . rr_1sso 1 595 1 . . 1 1 57 57 MET HA H . . . 1 1 60 60 LYS H H . . . . . 4.0 0.0 5.0 . . . . . A . 57 MET HA . . A . 60 LYS H . . . 57 . HA . . . . . 60 . HN . . rr_1sso 1 596 1 . . 1 1 58 58 LEU H H . . . 1 1 58 58 LEU HA H . . . . . 3.0 0.0 3.3 . . . . . A . 58 LEU H . . A . 58 LEU HA . . . 58 . HN . . . . . 58 . HA . . rr_1sso 1 597 1 . . 1 1 58 58 LEU H H . . . 1 1 58 58 LEU HG H . . . . . 4.0 0.0 5.0 . . . . . A . 58 LEU H . . A . 58 LEU HG . . . 58 . HN . . . . . 58 . HG . . rr_1sso 1 598 1 OR . 1 1 58 58 LEU H H . . . 1 1 58 58 LEU HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 58 LEU H . . A . 58 LEU HB2 . . . 58 . HN . . . . . 58 . HB# . . rr_1sso 1 598 2 OR . 1 1 58 58 LEU H H . . . 1 1 58 58 LEU HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 58 LEU H . . A . 58 LEU HB3 . . . 58 . HN . . . . . 58 . HB# . . rr_1sso 1 599 1 OR . 1 1 58 58 LEU H H . . . 1 1 58 58 LEU MD1 H . . . . . 4.0 0.0 7.4 . . . . . A . 58 LEU H . . A . 58 LEU MD1 . . . 58 . HN . . . . . 58 . HD# . . rr_1sso 1 599 2 OR . 1 1 58 58 LEU MD2 H . . . 1 1 58 58 LEU H H . . . . . 4.0 0.0 7.4 . . . . . A . 58 LEU MD2 . . A . 58 LEU H . . . 58 . HD# . . . . . 58 . HN . . rr_1sso 1 600 1 . . 1 1 58 58 LEU HA H . . . 1 1 58 58 LEU HG H . . . . . 4.0 0.0 5.0 . . . . . A . 58 LEU HA . . A . 58 LEU HG . . . 58 . HA . . . . . 58 . HG . . rr_1sso 1 601 1 OR . 1 1 58 58 LEU HA H . . . 1 1 58 58 LEU HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 58 LEU HA . . A . 58 LEU HB2 . . . 58 . HA . . . . . 58 . HB# . . rr_1sso 1 601 2 OR . 1 1 58 58 LEU HA H . . . 1 1 58 58 LEU HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 58 LEU HA . . A . 58 LEU HB3 . . . 58 . HA . . . . . 58 . HB# . . rr_1sso 1 602 1 OR . 1 1 58 58 LEU HA H . . . 1 1 58 58 LEU MD1 H . . . . . 4.0 0.0 7.4 . . . . . A . 58 LEU HA . . A . 58 LEU MD1 . . . 58 . HA . . . . . 58 . HD# . . rr_1sso 1 602 2 OR . 1 1 58 58 LEU MD2 H . . . 1 1 58 58 LEU HA H . . . . . 4.0 0.0 7.4 . . . . . A . 58 LEU MD2 . . A . 58 LEU HA . . . 58 . HD# . . . . . 58 . HA . . rr_1sso 1 603 1 . . 1 1 58 58 LEU H H . . . 1 1 59 59 GLU H H . . . . . 4.0 0.0 5.0 . . . . . A . 58 LEU H . . A . 59 GLU H . . . 58 . HN . . . . . 59 . HN . . rr_1sso 1 604 1 . . 1 1 58 58 LEU HA H . . . 1 1 59 59 GLU H H . . . . . 3.0 0.0 3.3 . . . . . A . 58 LEU HA . . A . 59 GLU H . . . 58 . HA . . . . . 59 . HN . . rr_1sso 1 605 1 OR . 1 1 59 59 GLU H H . . . 1 1 58 58 LEU HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 59 GLU H . . A . 58 LEU HB2 . . . 59 . HN . . . . . 58 . HB# . . rr_1sso 1 605 2 OR . 1 1 58 58 LEU HB3 H . . . 1 1 59 59 GLU H H . . . . . 4.0 0.0 6.0 . . . . . A . 58 LEU HB3 . . A . 59 GLU H . . . 58 . HB# . . . . . 59 . HN . . rr_1sso 1 606 1 OR . 1 1 59 59 GLU H H . . . 1 1 58 58 LEU MD1 H . . . . . 4.0 0.0 8.4 . . . . . A . 59 GLU H . . A . 58 LEU MD1 . . . 59 . HN . . . . . 58 . HD# . . rr_1sso 1 606 2 OR . 1 1 58 58 LEU MD2 H . . . 1 1 59 59 GLU H H . . . . . 4.0 0.0 8.4 . . . . . A . 58 LEU MD2 . . A . 59 GLU H . . . 58 . HD# . . . . . 59 . HN . . rr_1sso 1 607 1 . . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HA H . . . . . 4.0 0.0 5.0 . . . . . A . 59 GLU H . . A . 59 GLU HA . . . 59 . HN . . . . . 59 . HA . . rr_1sso 1 608 1 OR . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HB2 H . . . . . 3.0 0.0 4.3 . . . . . A . 59 GLU H . . A . 59 GLU HB2 . . . 59 . HN . . . . . 59 . HB# . . rr_1sso 1 608 2 OR . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HB3 H . . . . . 3.0 0.0 4.3 . . . . . A . 59 GLU H . . A . 59 GLU HB3 . . . 59 . HN . . . . . 59 . HB# . . rr_1sso 1 609 1 OR . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HG2 H . . . . . 4.0 0.0 6.0 . . . . . A . 59 GLU H . . A . 59 GLU HG2 . . . 59 . HN . . . . . 59 . HG# . . rr_1sso 1 609 2 OR . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HG3 H . . . . . 4.0 0.0 6.0 . . . . . A . 59 GLU H . . A . 59 GLU HG3 . . . 59 . HN . . . . . 59 . HG# . . rr_1sso 1 610 1 . . 1 1 60 60 LYS H H . . . 1 1 59 59 GLU H H . . . . . 4.0 0.0 5.0 . . . . . A . 60 LYS H . . A . 59 GLU H . . . 60 . HN . . . . . 59 . HN . . rr_1sso 1 611 1 . . 1 1 60 60 LYS H H . . . 1 1 59 59 GLU HA H . . . . . 4.0 0.0 5.0 . . . . . A . 60 LYS H . . A . 59 GLU HA . . . 60 . HN . . . . . 59 . HA . . rr_1sso 1 612 1 OR . 1 1 60 60 LYS H H . . . 1 1 59 59 GLU HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 60 LYS H . . A . 59 GLU HB2 . . . 60 . HN . . . . . 59 . HB# . . rr_1sso 1 612 2 OR . 1 1 60 60 LYS H H . . . 1 1 59 59 GLU HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 60 LYS H . . A . 59 GLU HB3 . . . 60 . HN . . . . . 59 . HB# . . rr_1sso 1 613 1 . . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HA H . . . . . 4.0 0.0 5.0 . . . . . A . 60 LYS H . . A . 60 LYS HA . . . 60 . HN . . . . . 60 . HA . . rr_1sso 1 614 1 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HB2 H . . . . . 4.0 0.0 6.0 . . . . . A . 60 LYS H . . A . 60 LYS HB2 . . . 60 . HN . . . . . 60 . HB# . . rr_1sso 1 614 2 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HB3 H . . . . . 4.0 0.0 6.0 . . . . . A . 60 LYS H . . A . 60 LYS HB3 . . . 60 . HN . . . . . 60 . HB# . . rr_1sso 1 615 1 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HG2 H . . . . . 4.0 0.0 7.0 . . . . . A . 60 LYS H . . A . 60 LYS HG2 . . . 60 . HN . . . . . 60 . HG# . . rr_1sso 1 615 2 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HG3 H . . . . . 4.0 0.0 7.0 . . . . . A . 60 LYS H . . A . 60 LYS HG3 . . . 60 . HN . . . . . 60 . HG# . . rr_1sso 1 616 1 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HD2 H . . . . . 4.0 0.0 6.0 . . . . . A . 60 LYS H . . A . 60 LYS HD2 . . . 60 . HN . . . . . 60 . HD# . . rr_1sso 1 616 2 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HD3 H . . . . . 4.0 0.0 6.0 . . . . . A . 60 LYS H . . A . 60 LYS HD3 . . . 60 . HN . . . . . 60 . HD# . . rr_1sso 1 617 1 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HE2 H . . . . . 4.0 0.0 6.0 . . . . . A . 60 LYS H . . A . 60 LYS HE2 . . . 60 . HN . . . . . 60 . HE# . . rr_1sso 1 617 2 OR . 1 1 60 60 LYS H H . . . 1 1 60 60 LYS HE3 H . . . . . 4.0 0.0 6.0 . . . . . A . 60 LYS H . . A . 60 LYS HE3 . . . 60 . HN . . . . . 60 . HE# . . rr_1sso 1 618 1 . . 1 1 60 60 LYS HA H . . . 1 1 61 61 GLN H H . . . . . 4.0 0.0 5.0 . . . . . A . 60 LYS HA . . A . 61 GLN H . . . 60 . HA . . . . . 61 . HN . . rr_1sso 1 619 1 . . 1 1 61 61 GLN H H . . . 1 1 61 61 GLN HA H . . . . . 3.0 0.0 3.3 . . . . . A . 61 GLN H . . A . 61 GLN HA . . . 61 . HN . . . . . 61 . HA . . rr_1sso 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; ANSIG v3.1 XPLOR NOE restraints file Sso7d residue 1 Ala , intraresidue NOEs residue 1 Ala , NOEs forward in sequence ; 1 1 6 46 rr_1sso 1 2 'residue 2 Thr , intraresidue NOEs' 14 1 14 39 rr_1sso 1 3 'residue 2 Thr , NOEs forward in sequence' 22 1 22 46 rr_1sso 1 4 'residue 3 Val , intraresidue NOEs' 30 1 30 39 rr_1sso 1 5 'residue 3 Val , NOEs forward in sequence' 36 1 36 46 rr_1sso 1 6 'residue 4 Lys , intraresidue NOEs' 54 1 54 39 rr_1sso 1 7 'residue 4 Lys , NOEs forward in sequence' 57 1 57 46 rr_1sso 1 8 'residue 5 Phe , intraresidue NOEs' 62 1 62 39 rr_1sso 1 9 'residue 5 Phe , NOEs forward in sequence' 73 1 73 46 rr_1sso 1 10 'residue 6 Lys , intraresidue NOEs' 107 1 107 39 rr_1sso 1 11 'residue 6 Lys , NOEs forward in sequence' 113 1 113 46 rr_1sso 1 12 'residue 7 Tyr , intraresidue NOEs' 121 1 121 39 rr_1sso 1 13 'residue 7 Tyr , NOEs forward in sequence' 130 1 130 46 rr_1sso 1 14 'residue 8 Lys , intraresidue NOEs' 139 1 139 39 rr_1sso 1 15 'residue 8 Lys , NOEs forward in sequence' 145 1 145 46 rr_1sso 1 16 'residue 9 Gly , intraresidue NOEs' 149 1 149 39 rr_1sso 1 17 'residue 9 Gly , NOEs forward in sequence' 152 1 152 46 rr_1sso 1 18 'residue 10 Glu , intraresidue NOEs' 156 1 156 39 rr_1sso 1 19 'residue 10 Glu , NOEs forward in sequence' 161 1 161 46 rr_1sso 1 20 'residue 11 Glu , intraresidue NOEs' 164 1 164 39 rr_1sso 1 21 ; residue 11 Glu , NOEs forward in sequence residue 12 Lys , intraresidue NOEs ; 169 1 171 39 rr_1sso 1 22 'residue 12 Lys , NOEs forward in sequence' 177 1 177 46 rr_1sso 1 23 'residue 13 Gln , intraresidue NOEs' 183 1 183 39 rr_1sso 1 24 'residue 13 Gln , NOEs forward in sequence' 186 1 186 46 rr_1sso 1 25 'residue 14 Val , intraresidue NOEs' 190 1 190 39 rr_1sso 1 26 'residue 14 Val , NOEs forward in sequence' 196 1 196 46 rr_1sso 1 27 'residue 15 Asp , intraresidue NOEs' 211 1 211 39 rr_1sso 1 28 'residue 15 Asp , NOEs forward in sequence' 215 1 215 46 rr_1sso 1 29 'residue 16 Ile , intraresidue NOEs' 221 1 221 39 rr_1sso 1 30 'residue 16 Ile , NOEs forward in sequence' 229 1 229 46 rr_1sso 1 31 'residue 17 Ser , intraresidue NOEs' 240 1 240 39 rr_1sso 1 32 'residue 17 Ser , NOEs forward in sequence' 244 1 244 46 rr_1sso 1 33 'residue 18 Lys , intraresidue NOEs' 248 1 248 39 rr_1sso 1 34 'residue 18 Lys , NOEs forward in sequence' 252 1 252 46 rr_1sso 1 35 'residue 19 Ile , intraresidue NOEs' 258 1 258 39 rr_1sso 1 36 'residue 19 Ile , NOEs forward in sequence' 269 1 269 46 rr_1sso 1 37 'residue 20 Lys , intraresidue NOEs' 292 1 292 39 rr_1sso 1 38 'residue 20 Lys , NOEs forward in sequence' 297 1 297 46 rr_1sso 1 39 'residue 21 Lys , intraresidue NOEs' 304 1 304 39 rr_1sso 1 40 'residue 21 Lys , NOEs forward in sequence' 315 1 315 46 rr_1sso 1 41 'residue 22 Val , intraresidue NOEs' 322 1 322 39 rr_1sso 1 42 'residue 22 Val , NOEs forward in sequence' 330 1 330 46 rr_1sso 1 43 'residue 23 Trp , intraresidue NOEs' 346 1 346 39 rr_1sso 1 44 'residue 23 Trp , NOEs forward in sequence' 357 1 357 46 rr_1sso 1 45 'residue 24 Arg , intraresidue NOEs' 383 1 383 39 rr_1sso 1 46 'residue 24 Arg , NOEs forward in sequence' 386 1 386 46 rr_1sso 1 47 'residue 25 Val , intraresidue NOEs' 393 1 393 39 rr_1sso 1 48 'residue 25 Val , NOEs forward in sequence' 399 1 399 46 rr_1sso 1 49 'residue 26 Gly , intraresidue NOEs' 405 1 405 39 rr_1sso 1 50 'residue 26 Gly , NOEs forward in sequence' 408 1 408 46 rr_1sso 1 51 'residue 27 Lys , intraresidue NOEs' 413 1 413 39 rr_1sso 1 52 'residue 27 Lys , NOEs forward in sequence' 416 1 416 46 rr_1sso 1 53 'residue 28 Met , intraresidue NOEs' 420 1 420 39 rr_1sso 1 54 'residue 28 Met , NOEs forward in sequence' 429 1 429 46 rr_1sso 1 55 'residue 29 Ile , intraresidue NOEs' 444 1 444 39 rr_1sso 1 56 'residue 29 Ile , NOEs forward in sequence' 453 1 453 46 rr_1sso 1 57 'residue 30 Ser , intraresidue NOEs' 476 1 476 39 rr_1sso 1 58 'residue 30 Ser , NOEs forward in sequence' 481 1 481 46 rr_1sso 1 59 'residue 31 Phe , intraresidue NOEs' 490 1 490 39 rr_1sso 1 60 'residue 31 Phe , NOEs forward in sequence' 498 1 498 46 rr_1sso 1 61 'residue 32 Thr , intraresidue NOEs' 526 1 526 39 rr_1sso 1 62 'residue 32 Thr , NOEs forward in sequence' 532 1 532 46 rr_1sso 1 63 'residue 33 Tyr , intraresidue NOEs' 546 1 546 39 rr_1sso 1 64 'residue 33 Tyr , NOEs forward in sequence' 556 1 556 46 rr_1sso 1 65 'residue 34 Asp , intraresidue NOEs' 570 1 570 39 rr_1sso 1 66 'residue 34 Asp , NOEs forward in sequence' 574 1 574 46 rr_1sso 1 67 'residue 35 Glu , intraresidue NOEs' 579 1 579 39 rr_1sso 1 68 'residue 35 Glu , NOEs forward in sequence' 583 1 583 46 rr_1sso 1 69 'residue 36 Gly , intraresidue NOEs' 586 1 586 39 rr_1sso 1 70 'residue 36 Gly , NOEs forward in sequence' 589 1 589 46 rr_1sso 1 71 ; residue 37 Gly , intraresidue NOEs residue 37 Gly , NOEs forward in sequence ; 594 1 596 46 rr_1sso 1 72 'residue 38 Gly , intraresidue NOEs' 599 1 599 39 rr_1sso 1 73 'residue 38 Gly , NOEs forward in sequence' 602 1 602 46 rr_1sso 1 74 'residue 39 Lys , intraresidue NOEs' 605 1 605 39 rr_1sso 1 75 'residue 39 Lys , NOEs forward in sequence' 612 1 612 46 rr_1sso 1 76 'residue 40 Thr , intraresidue NOEs' 615 1 615 39 rr_1sso 1 77 'residue 40 Thr , NOEs forward in sequence' 621 1 621 46 rr_1sso 1 78 'residue 41 Gly , intraresidue NOEs' 625 1 625 39 rr_1sso 1 79 'residue 41 Gly , NOEs forward in sequence' 628 1 628 46 rr_1sso 1 80 'residue 42 Arg , intraresidue NOEs' 632 1 632 39 rr_1sso 1 81 'residue 42 Arg , NOEs forward in sequence' 641 1 641 46 rr_1sso 1 82 'residue 43 Gly , intraresidue NOEs' 644 1 644 39 rr_1sso 1 83 'residue 43 Gly , NOEs forward in sequence' 647 1 647 46 rr_1sso 1 84 'residue 44 Ala , intraresidue NOEs' 650 1 650 39 rr_1sso 1 85 'residue 44 Ala , NOEs forward in sequence' 654 1 654 46 rr_1sso 1 86 'residue 45 Val , intraresidue NOEs' 658 1 658 39 rr_1sso 1 87 'residue 45 Val , NOEs forward in sequence' 664 1 664 46 rr_1sso 1 88 'residue 46 Ser , intraresidue NOEs' 675 1 675 39 rr_1sso 1 89 'residue 46 Ser , NOEs forward in sequence' 682 1 682 46 rr_1sso 1 90 'residue 47 Glu , intraresidue NOEs' 691 1 691 39 rr_1sso 1 91 'residue 47 Glu , NOEs forward in sequence' 698 1 698 46 rr_1sso 1 92 'residue 48 Lys , intraresidue NOEs' 707 1 707 39 rr_1sso 1 93 'residue 48 Lys , NOEs forward in sequence' 712 1 712 46 rr_1sso 1 94 'residue 49 Asp , intraresidue NOEs' 717 1 717 39 rr_1sso 1 95 'residue 49 Asp , NOEs forward in sequence' 721 1 721 46 rr_1sso 1 96 'residue 50 Ala , intraresidue NOEs' 727 1 727 39 rr_1sso 1 97 'residue 50 Ala , NOEs forward in sequence' 732 1 732 46 rr_1sso 1 98 ; residue 51 Pro , intraresidue NOEs residue 51 Pro , NOEs forward in sequence ; 741 1 743 46 rr_1sso 1 99 'residue 52 Lys , intraresidue NOEs' 750 1 750 39 rr_1sso 1 100 'residue 52 Lys , NOEs forward in sequence' 756 1 756 46 rr_1sso 1 101 'residue 53 Glu , intraresidue NOEs' 760 1 760 39 rr_1sso 1 102 'residue 53 Glu , NOEs forward in sequence' 764 1 764 46 rr_1sso 1 103 'residue 54 Leu , intraresidue NOEs' 769 1 769 39 rr_1sso 1 104 'residue 54 Leu , NOEs forward in sequence' 779 1 779 46 rr_1sso 1 105 'residue 55 Leu , intraresidue NOEs' 787 1 787 39 rr_1sso 1 106 'residue 55 Leu , NOEs forward in sequence' 793 1 793 46 rr_1sso 1 107 'residue 56 Gln , intraresidue NOEs' 801 1 801 39 rr_1sso 1 108 'residue 56 Gln , NOEs forward in sequence' 807 1 807 46 rr_1sso 1 109 'residue 57 Met , intraresidue NOEs' 812 1 812 39 rr_1sso 1 110 'residue 57 Met , NOEs forward in sequence' 821 1 821 46 rr_1sso 1 111 'residue 58 Leu , intraresidue NOEs' 827 1 827 39 rr_1sso 1 112 'residue 58 Leu , NOEs forward in sequence' 836 1 836 46 rr_1sso 1 113 'residue 59 Glu , intraresidue NOEs' 842 1 842 39 rr_1sso 1 114 'residue 59 Glu , NOEs forward in sequence' 847 1 847 46 rr_1sso 1 115 'residue 60 Lys , intraresidue NOEs' 852 1 852 39 rr_1sso 1 116 'residue 60 Lys , NOEs forward in sequence' 859 1 859 46 rr_1sso 1 117 'residue 61 Gln , intraresidue NOEs' 862 1 862 39 rr_1sso 1 118 ; residue 61 Gln , NOEs forward in sequence residue 62 Lys , intraresidue NOEs ; 865 1 868 2 rr_1sso 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1sso _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1sso 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 3 3 VAL H H . . . 1 1 14 14 VAL O O . . . . . 2.0 1.8 2.4 . . . . . A . 3 VAL H . . A . 14 VAL O . . . 3 . HN . . . . . 14 . O . . rr_1sso 2 2 1 . . 1 1 14 14 VAL O O . . . 1 1 3 3 VAL N N . . . . . 2.8 2.6 3.4 . . . . . A . 14 VAL O . . A . 3 VAL N . . . 14 . O . . . . . 3 . N . . rr_1sso 2 3 1 . . 1 1 14 14 VAL H H . . . 1 1 3 3 VAL O O . . . . . 2.0 1.8 2.4 . . . . . A . 14 VAL H . . A . 3 VAL O . . . 14 . HN . . . . . 3 . O . . rr_1sso 2 4 1 . . 1 1 3 3 VAL O O . . . 1 1 14 14 VAL N N . . . . . 2.8 2.6 3.4 . . . . . A . 3 VAL O . . A . 14 VAL N . . . 3 . O . . . . . 14 . N . . rr_1sso 2 5 1 . . 1 1 5 5 PHE H H . . . 1 1 12 12 LYS O O . . . . . 2.0 1.8 2.4 . . . . . A . 5 PHE H . . A . 12 LYS O . . . 5 . HN . . . . . 12 . O . . rr_1sso 2 6 1 . . 1 1 12 12 LYS O O . . . 1 1 5 5 PHE N N . . . . . 2.8 2.6 3.4 . . . . . A . 12 LYS O . . A . 5 PHE N . . . 12 . O . . . . . 5 . N . . rr_1sso 2 7 1 . . 1 1 12 12 LYS H H . . . 1 1 5 5 PHE O O . . . . . 2.0 1.8 2.4 . . . . . A . 12 LYS H . . A . 5 PHE O . . . 12 . HN . . . . . 5 . O . . rr_1sso 2 8 1 . . 1 1 5 5 PHE O O . . . 1 1 12 12 LYS N N . . . . . 2.8 2.6 3.4 . . . . . A . 5 PHE O . . A . 12 LYS N . . . 5 . O . . . . . 12 . N . . rr_1sso 2 9 1 . . 1 1 7 7 TYR H H . . . 1 1 10 10 GLU O O . . . . . 2.0 1.8 2.4 . . . . . A . 7 TYR H . . A . 10 GLU O . . . 7 . HN . . . . . 10 . O . . rr_1sso 2 10 1 . . 1 1 10 10 GLU O O . . . 1 1 7 7 TYR N N . . . . . 2.8 2.6 3.4 . . . . . A . 10 GLU O . . A . 7 TYR N . . . 10 . O . . . . . 7 . N . . rr_1sso 2 11 1 . . 1 1 10 10 GLU H H . . . 1 1 7 7 TYR O O . . . . . 2.0 1.8 2.4 . . . . . A . 10 GLU H . . A . 7 TYR O . . . 10 . HN . . . . . 7 . O . . rr_1sso 2 12 1 . . 1 1 7 7 TYR O O . . . 1 1 10 10 GLU N N . . . . . 2.8 2.6 3.4 . . . . . A . 7 TYR O . . A . 10 GLU N . . . 7 . O . . . . . 10 . N . . rr_1sso 2 13 1 . . 1 1 32 32 THR H H . . . 1 1 21 21 LYS O O . . . . . 2.0 1.8 2.4 . . . . . A . 32 THR H . . A . 21 LYS O . . . 32 . HN . . . . . 21 . O . . rr_1sso 2 14 1 . . 1 1 21 21 LYS O O . . . 1 1 32 32 THR N N . . . . . 2.8 2.6 3.4 . . . . . A . 21 LYS O . . A . 32 THR N . . . 21 . O . . . . . 32 . N . . rr_1sso 2 15 1 . . 1 1 23 23 TRP H H . . . 1 1 30 30 SER O O . . . . . 2.0 1.8 2.4 . . . . . A . 23 TRP H . . A . 30 SER O . . . 23 . HN . . . . . 30 . O . . rr_1sso 2 16 1 . . 1 1 30 30 SER O O . . . 1 1 23 23 TRP N N . . . . . 2.8 2.6 3.4 . . . . . A . 30 SER O . . A . 23 TRP N . . . 30 . O . . . . . 23 . N . . rr_1sso 2 17 1 . . 1 1 30 30 SER H H . . . 1 1 23 23 TRP O O . . . . . 2.0 1.8 2.4 . . . . . A . 30 SER H . . A . 23 TRP O . . . 30 . HN . . . . . 23 . O . . rr_1sso 2 18 1 . . 1 1 23 23 TRP O O . . . 1 1 30 30 SER N N . . . . . 2.8 2.6 3.4 . . . . . A . 23 TRP O . . A . 30 SER N . . . 23 . O . . . . . 30 . N . . rr_1sso 2 19 1 . . 1 1 45 45 VAL H H . . . 1 1 29 29 ILE O O . . . . . 2.0 1.8 2.4 . . . . . A . 45 VAL H . . A . 29 ILE O . . . 45 . HN . . . . . 29 . O . . rr_1sso 2 20 1 . . 1 1 29 29 ILE O O . . . 1 1 45 45 VAL N N . . . . . 2.8 2.6 3.4 . . . . . A . 29 ILE O . . A . 45 VAL N . . . 29 . O . . . . . 45 . N . . rr_1sso 2 21 1 . . 1 1 29 29 ILE H H . . . 1 1 45 45 VAL O O . . . . . 2.0 1.8 2.4 . . . . . A . 29 ILE H . . A . 45 VAL O . . . 29 . HN . . . . . 45 . O . . rr_1sso 2 22 1 . . 1 1 45 45 VAL O O . . . 1 1 29 29 ILE N N . . . . . 2.8 2.6 3.4 . . . . . A . 45 VAL O . . A . 29 ILE N . . . 45 . O . . . . . 29 . N . . rr_1sso 2 23 1 . . 1 1 43 43 GLY H H . . . 1 1 31 31 PHE O O . . . . . 2.0 1.8 2.4 . . . . . A . 43 GLY H . . A . 31 PHE O . . . 43 . HN . . . . . 31 . O . . rr_1sso 2 24 1 . . 1 1 31 31 PHE O O . . . 1 1 43 43 GLY N N . . . . . 2.8 2.6 3.4 . . . . . A . 31 PHE O . . A . 43 GLY N . . . 31 . O . . . . . 43 . N . . rr_1sso 2 25 1 . . 1 1 31 31 PHE H H . . . 1 1 43 43 GLY O O . . . . . 2.0 1.8 2.4 . . . . . A . 31 PHE H . . A . 43 GLY O . . . 31 . HN . . . . . 43 . O . . rr_1sso 2 26 1 . . 1 1 43 43 GLY O O . . . 1 1 31 31 PHE N N . . . . . 2.8 2.6 3.4 . . . . . A . 43 GLY O . . A . 31 PHE N . . . 43 . O . . . . . 31 . N . . rr_1sso 2 27 1 . . 1 1 33 33 TYR H H . . . 1 1 41 41 GLY O O . . . . . 2.0 1.8 2.4 . . . . . A . 33 TYR H . . A . 41 GLY O . . . 33 . HN . . . . . 41 . O . . rr_1sso 2 28 1 . . 1 1 41 41 GLY O O . . . 1 1 33 33 TYR N N . . . . . 2.8 2.6 3.4 . . . . . A . 41 GLY O . . A . 33 TYR N . . . 41 . O . . . . . 33 . N . . rr_1sso 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; Sso7d Restraints for hydrogen bonds between slow-exchanging main-chain HN protons and main-chain carbonyl oxygens. ; 1 1 5 2 rr_1sso 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Entry_ID rr_1sso _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1sso 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 2 2 THR N N . . 1 1 2 2 THR CA C . . 1 1 2 2 THR CB C . . 1 1 2 2 THR OG1 O . 150.0 210.0 . . . A . 2 THR N . . A . 2 THR CA . . A . 2 THR CB . . A . 2 THR OG1 . . . 2 . N . . . . . 2 . CA . . . . . 2 . CB . . . . . 2 . OG1 . . rr_1sso 1 2 . . 1 1 3 3 VAL N N . . 1 1 3 3 VAL CA C . . 1 1 3 3 VAL CB C . . 1 1 3 3 VAL CG1 C . 30.0 90.0 . . . A . 3 VAL N . . A . 3 VAL CA . . A . 3 VAL CB . . A . 3 VAL CG1 . . . 3 . N . . . . . 3 . CA . . . . . 3 . CB . . . . . 3 . CG1 . . rr_1sso 1 3 . . 1 1 5 5 PHE N N . . 1 1 5 5 PHE CA C . . 1 1 5 5 PHE CB C . . 1 1 5 5 PHE CG C . -90.0 -30.0 . . . A . 5 PHE N . . A . 5 PHE CA . . A . 5 PHE CB . . A . 5 PHE CG . . . 5 . N . . . . . 5 . CA . . . . . 5 . CB . . . . . 5 . CG . . rr_1sso 1 4 . . 1 1 7 7 TYR N N . . 1 1 7 7 TYR CA C . . 1 1 7 7 TYR CB C . . 1 1 7 7 TYR CG C . -90.0 -30.0 . . . A . 7 TYR N . . A . 7 TYR CA . . A . 7 TYR CB . . A . 7 TYR CG . . . 7 . N . . . . . 7 . CA . . . . . 7 . CB . . . . . 7 . CG . . rr_1sso 1 5 . . 1 1 25 25 VAL N N . . 1 1 25 25 VAL CA C . . 1 1 25 25 VAL CB C . . 1 1 25 25 VAL CG1 C . 150.0 210.0 . . . A . 25 VAL N . . A . 25 VAL CA . . A . 25 VAL CB . . A . 25 VAL CG1 . . . 25 . N . . . . . 25 . CA . . . . . 25 . CB . . . . . 25 . CG1 . . rr_1sso 1 6 . . 1 1 28 28 MET N N . . 1 1 28 28 MET CA C . . 1 1 28 28 MET CB C . . 1 1 28 28 MET CG C . -90.0 -30.0 . . . A . 28 MET N . . A . 28 MET CA . . A . 28 MET CB . . A . 28 MET CG . . . 28 . N . . . . . 28 . CA . . . . . 28 . CB . . . . . 28 . CG . . rr_1sso 1 7 . . 1 1 30 30 SER N N . . 1 1 30 30 SER CA C . . 1 1 30 30 SER CB C . . 1 1 30 30 SER OG O . -90.0 -30.0 . . . A . 30 SER N . . A . 30 SER CA . . A . 30 SER CB . . A . 30 SER OG . . . 30 . N . . . . . 30 . CA . . . . . 30 . CB . . . . . 30 . OG . . rr_1sso 1 8 . . 1 1 32 32 THR N N . . 1 1 32 32 THR CA C . . 1 1 32 32 THR CB C . . 1 1 32 32 THR OG1 O . 30.0 90.0 . . . A . 32 THR N . . A . 32 THR CA . . A . 32 THR CB . . A . 32 THR OG1 . . . 32 . N . . . . . 32 . CA . . . . . 32 . CB . . . . . 32 . OG1 . . rr_1sso 1 9 . . 1 1 34 34 ASP N N . . 1 1 34 34 ASP CA C . . 1 1 34 34 ASP CB C . . 1 1 34 34 ASP CG C . -210.0 -30.0 . . . A . 34 ASP N . . A . 34 ASP CA . . A . 34 ASP CB . . A . 34 ASP CG . . . 34 . N . . . . . 34 . CA . . . . . 34 . CB . . . . . 34 . CG . . rr_1sso 1 10 . . 1 1 45 45 VAL N N . . 1 1 45 45 VAL CA C . . 1 1 45 45 VAL CB C . . 1 1 45 45 VAL CG1 C . 30.0 90.0 . . . A . 45 VAL N . . A . 45 VAL CA . . A . 45 VAL CB . . A . 45 VAL CG1 . . . 45 . N . . . . . 45 . CA . . . . . 45 . CB . . . . . 45 . CG1 . . rr_1sso 1 11 . . 1 1 46 46 SER N N . . 1 1 46 46 SER CA C . . 1 1 46 46 SER CB C . . 1 1 46 46 SER OG O . -90.0 -30.0 . . . A . 46 SER N . . A . 46 SER CA . . A . 46 SER CB . . A . 46 SER OG . . . 46 . N . . . . . 46 . CA . . . . . 46 . CB . . . . . 46 . OG . . rr_1sso 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; number of restraints as function of range |i-j| = 0 : 233 |i-j| = 1 : 151 |i-j| = 2 : 30 |i-j| = 3 : 15 |i-j| = 4 : 6 |i-j| > 4 : 182 total : 617 Sso7d Dihedral angle restraints. chi-1 dihedral angles ; 1 1 14 24 rr_1sso 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1sso _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 DNA-BINDING PROTEIN 31-MAR-95 1SSO *COMPND SSO7D (NMR, MINIMIZED AVERAGE STRUCTURE) *SOURCE (SULFOLOBUS SOLFATARICUS) STRAIN DSM 1617 *AUTHOR H.BAUMANN,S.KNAPP,T.LUNDBACK,R.LADENSTEIN,T.HARD *REVDAT 1 08-MAY-95 1SSO 0' save_