data_Remediated_restraints_file_for_PDB_entry_2fyl # This BMRB archive file contains, for PDB entry 2fyl: # # - 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_2fyl _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 2fyl' _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 2fyl' _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 2fyl 'Master copy' rr_2fyl stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_2fyl _Assembly.ID 1 _Assembly.Name 2fyl _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 18518.5687 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 'Alpha 2 macroglobulin receptor associated protein' 1 $Alpha_2_macroglobulin_receptor_associated_protein A . no . . . . . . rr_2fyl 1 2 'Low density lipoprotein receptor related protein 1' 2 $Low_density_lipoprotein_receptor_related_protein_1 B . no . . . . . . rr_2fyl 1 3 'CALCIUM ION' 3 $CALCIUM_ION C . no . . . . . . rr_2fyl 1 4 'CALCIUM ION' 3 $CALCIUM_ION D . no . . . . . . rr_2fyl 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Alpha_2_macroglobulin_receptor_associated_protein _Entity.Sf_category entity _Entity.Sf_framecode Alpha_2_macroglobulin_receptor_associated_protein _Entity.Entry_ID rr_2fyl _Entity.ID 1 _Entity.Name Alpha_2_macroglobulin_receptor_associated_protein _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; GEEFRMEKLNQLWEKAQRLH LPPVRLAELHADLKIQERDE LAWKKLKLDGLDEDGEKEAR LIRNLNVILAKYGLDGKKDA R ; _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 81 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 9518.9684 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 . GLY . rr_2fyl 1 2 . GLU . rr_2fyl 1 3 . GLU . rr_2fyl 1 4 . PHE . rr_2fyl 1 5 . ARG . rr_2fyl 1 6 . MET . rr_2fyl 1 7 . GLU . rr_2fyl 1 8 . LYS . rr_2fyl 1 9 . LEU . rr_2fyl 1 10 . ASN . rr_2fyl 1 11 . GLN . rr_2fyl 1 12 . LEU . rr_2fyl 1 13 . TRP . rr_2fyl 1 14 . GLU . rr_2fyl 1 15 . LYS . rr_2fyl 1 16 . ALA . rr_2fyl 1 17 . GLN . rr_2fyl 1 18 . ARG . rr_2fyl 1 19 . LEU . rr_2fyl 1 20 . HIS . rr_2fyl 1 21 . LEU . rr_2fyl 1 22 . PRO . rr_2fyl 1 23 . PRO . rr_2fyl 1 24 . VAL . rr_2fyl 1 25 . ARG . rr_2fyl 1 26 . LEU . rr_2fyl 1 27 . ALA . rr_2fyl 1 28 . GLU . rr_2fyl 1 29 . LEU . rr_2fyl 1 30 . HIS . rr_2fyl 1 31 . ALA . rr_2fyl 1 32 . ASP . rr_2fyl 1 33 . LEU . rr_2fyl 1 34 . LYS . rr_2fyl 1 35 . ILE . rr_2fyl 1 36 . GLN . rr_2fyl 1 37 . GLU . rr_2fyl 1 38 . ARG . rr_2fyl 1 39 . ASP . rr_2fyl 1 40 . GLU . rr_2fyl 1 41 . LEU . rr_2fyl 1 42 . ALA . rr_2fyl 1 43 . TRP . rr_2fyl 1 44 . LYS . rr_2fyl 1 45 . LYS . rr_2fyl 1 46 . LEU . rr_2fyl 1 47 . LYS . rr_2fyl 1 48 . LEU . rr_2fyl 1 49 . ASP . rr_2fyl 1 50 . GLY . rr_2fyl 1 51 . LEU . rr_2fyl 1 52 . ASP . rr_2fyl 1 53 . GLU . rr_2fyl 1 54 . ASP . rr_2fyl 1 55 . GLY . rr_2fyl 1 56 . GLU . rr_2fyl 1 57 . LYS . rr_2fyl 1 58 . GLU . rr_2fyl 1 59 . ALA . rr_2fyl 1 60 . ARG . rr_2fyl 1 61 . LEU . rr_2fyl 1 62 . ILE . rr_2fyl 1 63 . ARG . rr_2fyl 1 64 . ASN . rr_2fyl 1 65 . LEU . rr_2fyl 1 66 . ASN . rr_2fyl 1 67 . VAL . rr_2fyl 1 68 . ILE . rr_2fyl 1 69 . LEU . rr_2fyl 1 70 . ALA . rr_2fyl 1 71 . LYS . rr_2fyl 1 72 . TYR . rr_2fyl 1 73 . GLY . rr_2fyl 1 74 . LEU . rr_2fyl 1 75 . ASP . rr_2fyl 1 76 . GLY . rr_2fyl 1 77 . LYS . rr_2fyl 1 78 . LYS . rr_2fyl 1 79 . ASP . rr_2fyl 1 80 . ALA . rr_2fyl 1 81 . ARG . rr_2fyl 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 . GLY 1 1 rr_2fyl 1 . GLU 2 2 rr_2fyl 1 . GLU 3 3 rr_2fyl 1 . PHE 4 4 rr_2fyl 1 . ARG 5 5 rr_2fyl 1 . MET 6 6 rr_2fyl 1 . GLU 7 7 rr_2fyl 1 . LYS 8 8 rr_2fyl 1 . LEU 9 9 rr_2fyl 1 . ASN 10 10 rr_2fyl 1 . GLN 11 11 rr_2fyl 1 . LEU 12 12 rr_2fyl 1 . TRP 13 13 rr_2fyl 1 . GLU 14 14 rr_2fyl 1 . LYS 15 15 rr_2fyl 1 . ALA 16 16 rr_2fyl 1 . GLN 17 17 rr_2fyl 1 . ARG 18 18 rr_2fyl 1 . LEU 19 19 rr_2fyl 1 . HIS 20 20 rr_2fyl 1 . LEU 21 21 rr_2fyl 1 . PRO 22 22 rr_2fyl 1 . PRO 23 23 rr_2fyl 1 . VAL 24 24 rr_2fyl 1 . ARG 25 25 rr_2fyl 1 . LEU 26 26 rr_2fyl 1 . ALA 27 27 rr_2fyl 1 . GLU 28 28 rr_2fyl 1 . LEU 29 29 rr_2fyl 1 . HIS 30 30 rr_2fyl 1 . ALA 31 31 rr_2fyl 1 . ASP 32 32 rr_2fyl 1 . LEU 33 33 rr_2fyl 1 . LYS 34 34 rr_2fyl 1 . ILE 35 35 rr_2fyl 1 . GLN 36 36 rr_2fyl 1 . GLU 37 37 rr_2fyl 1 . ARG 38 38 rr_2fyl 1 . ASP 39 39 rr_2fyl 1 . GLU 40 40 rr_2fyl 1 . LEU 41 41 rr_2fyl 1 . ALA 42 42 rr_2fyl 1 . TRP 43 43 rr_2fyl 1 . LYS 44 44 rr_2fyl 1 . LYS 45 45 rr_2fyl 1 . LEU 46 46 rr_2fyl 1 . LYS 47 47 rr_2fyl 1 . LEU 48 48 rr_2fyl 1 . ASP 49 49 rr_2fyl 1 . GLY 50 50 rr_2fyl 1 . LEU 51 51 rr_2fyl 1 . ASP 52 52 rr_2fyl 1 . GLU 53 53 rr_2fyl 1 . ASP 54 54 rr_2fyl 1 . GLY 55 55 rr_2fyl 1 . GLU 56 56 rr_2fyl 1 . LYS 57 57 rr_2fyl 1 . GLU 58 58 rr_2fyl 1 . ALA 59 59 rr_2fyl 1 . ARG 60 60 rr_2fyl 1 . LEU 61 61 rr_2fyl 1 . ILE 62 62 rr_2fyl 1 . ARG 63 63 rr_2fyl 1 . ASN 64 64 rr_2fyl 1 . LEU 65 65 rr_2fyl 1 . ASN 66 66 rr_2fyl 1 . VAL 67 67 rr_2fyl 1 . ILE 68 68 rr_2fyl 1 . LEU 69 69 rr_2fyl 1 . ALA 70 70 rr_2fyl 1 . LYS 71 71 rr_2fyl 1 . TYR 72 72 rr_2fyl 1 . GLY 73 73 rr_2fyl 1 . LEU 74 74 rr_2fyl 1 . ASP 75 75 rr_2fyl 1 . GLY 76 76 rr_2fyl 1 . LYS 77 77 rr_2fyl 1 . LYS 78 78 rr_2fyl 1 . ASP 79 79 rr_2fyl 1 . ALA 80 80 rr_2fyl 1 . ARG 81 81 rr_2fyl 1 stop_ save_ save_Low_density_lipoprotein_receptor_related_protein_1 _Entity.Sf_category entity _Entity.Sf_framecode Low_density_lipoprotein_receptor_related_protein_1 _Entity.Entry_ID rr_2fyl _Entity.ID 2 _Entity.Name Low_density_lipoprotein_receptor_related_protein_1 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code ; SARTCPPNQFSCASGRCIPI SWTCDLDDDCGDRSDESASC AYPTCFPLTQFTCNNGRCIN INWRCDNDNDCGDNSDEAGC SH ; _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 82 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 2 _Entity.Formula_weight 8919.4403 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 . SER . rr_2fyl 2 2 . ALA . rr_2fyl 2 3 . ARG . rr_2fyl 2 4 . THR . rr_2fyl 2 5 . CYS . rr_2fyl 2 6 . PRO . rr_2fyl 2 7 . PRO . rr_2fyl 2 8 . ASN . rr_2fyl 2 9 . GLN . rr_2fyl 2 10 . PHE . rr_2fyl 2 11 . SER . rr_2fyl 2 12 . CYS . rr_2fyl 2 13 . ALA . rr_2fyl 2 14 . SER . rr_2fyl 2 15 . GLY . rr_2fyl 2 16 . ARG . rr_2fyl 2 17 . CYS . rr_2fyl 2 18 . ILE . rr_2fyl 2 19 . PRO . rr_2fyl 2 20 . ILE . rr_2fyl 2 21 . SER . rr_2fyl 2 22 . TRP . rr_2fyl 2 23 . THR . rr_2fyl 2 24 . CYS . rr_2fyl 2 25 . ASP . rr_2fyl 2 26 . LEU . rr_2fyl 2 27 . ASP . rr_2fyl 2 28 . ASP . rr_2fyl 2 29 . ASP . rr_2fyl 2 30 . CYS . rr_2fyl 2 31 . GLY . rr_2fyl 2 32 . ASP . rr_2fyl 2 33 . ARG . rr_2fyl 2 34 . SER . rr_2fyl 2 35 . ASP . rr_2fyl 2 36 . GLU . rr_2fyl 2 37 . SER . rr_2fyl 2 38 . ALA . rr_2fyl 2 39 . SER . rr_2fyl 2 40 . CYS . rr_2fyl 2 41 . ALA . rr_2fyl 2 42 . TYR . rr_2fyl 2 43 . PRO . rr_2fyl 2 44 . THR . rr_2fyl 2 45 . CYS . rr_2fyl 2 46 . PHE . rr_2fyl 2 47 . PRO . rr_2fyl 2 48 . LEU . rr_2fyl 2 49 . THR . rr_2fyl 2 50 . GLN . rr_2fyl 2 51 . PHE . rr_2fyl 2 52 . THR . rr_2fyl 2 53 . CYS . rr_2fyl 2 54 . ASN . rr_2fyl 2 55 . ASN . rr_2fyl 2 56 . GLY . rr_2fyl 2 57 . ARG . rr_2fyl 2 58 . CYS . rr_2fyl 2 59 . ILE . rr_2fyl 2 60 . ASN . rr_2fyl 2 61 . ILE . rr_2fyl 2 62 . ASN . rr_2fyl 2 63 . TRP . rr_2fyl 2 64 . ARG . rr_2fyl 2 65 . CYS . rr_2fyl 2 66 . ASP . rr_2fyl 2 67 . ASN . rr_2fyl 2 68 . ASP . rr_2fyl 2 69 . ASN . rr_2fyl 2 70 . ASP . rr_2fyl 2 71 . CYS . rr_2fyl 2 72 . GLY . rr_2fyl 2 73 . ASP . rr_2fyl 2 74 . ASN . rr_2fyl 2 75 . SER . rr_2fyl 2 76 . ASP . rr_2fyl 2 77 . GLU . rr_2fyl 2 78 . ALA . rr_2fyl 2 79 . GLY . rr_2fyl 2 80 . CYS . rr_2fyl 2 81 . SER . rr_2fyl 2 82 . HIS . rr_2fyl 2 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 . SER 1 1 rr_2fyl 2 . ALA 2 2 rr_2fyl 2 . ARG 3 3 rr_2fyl 2 . THR 4 4 rr_2fyl 2 . CYS 5 5 rr_2fyl 2 . PRO 6 6 rr_2fyl 2 . PRO 7 7 rr_2fyl 2 . ASN 8 8 rr_2fyl 2 . GLN 9 9 rr_2fyl 2 . PHE 10 10 rr_2fyl 2 . SER 11 11 rr_2fyl 2 . CYS 12 12 rr_2fyl 2 . ALA 13 13 rr_2fyl 2 . SER 14 14 rr_2fyl 2 . GLY 15 15 rr_2fyl 2 . ARG 16 16 rr_2fyl 2 . CYS 17 17 rr_2fyl 2 . ILE 18 18 rr_2fyl 2 . PRO 19 19 rr_2fyl 2 . ILE 20 20 rr_2fyl 2 . SER 21 21 rr_2fyl 2 . TRP 22 22 rr_2fyl 2 . THR 23 23 rr_2fyl 2 . CYS 24 24 rr_2fyl 2 . ASP 25 25 rr_2fyl 2 . LEU 26 26 rr_2fyl 2 . ASP 27 27 rr_2fyl 2 . ASP 28 28 rr_2fyl 2 . ASP 29 29 rr_2fyl 2 . CYS 30 30 rr_2fyl 2 . GLY 31 31 rr_2fyl 2 . ASP 32 32 rr_2fyl 2 . ARG 33 33 rr_2fyl 2 . SER 34 34 rr_2fyl 2 . ASP 35 35 rr_2fyl 2 . GLU 36 36 rr_2fyl 2 . SER 37 37 rr_2fyl 2 . ALA 38 38 rr_2fyl 2 . SER 39 39 rr_2fyl 2 . CYS 40 40 rr_2fyl 2 . ALA 41 41 rr_2fyl 2 . TYR 42 42 rr_2fyl 2 . PRO 43 43 rr_2fyl 2 . THR 44 44 rr_2fyl 2 . CYS 45 45 rr_2fyl 2 . PHE 46 46 rr_2fyl 2 . PRO 47 47 rr_2fyl 2 . LEU 48 48 rr_2fyl 2 . THR 49 49 rr_2fyl 2 . GLN 50 50 rr_2fyl 2 . PHE 51 51 rr_2fyl 2 . THR 52 52 rr_2fyl 2 . CYS 53 53 rr_2fyl 2 . ASN 54 54 rr_2fyl 2 . ASN 55 55 rr_2fyl 2 . GLY 56 56 rr_2fyl 2 . ARG 57 57 rr_2fyl 2 . CYS 58 58 rr_2fyl 2 . ILE 59 59 rr_2fyl 2 . ASN 60 60 rr_2fyl 2 . ILE 61 61 rr_2fyl 2 . ASN 62 62 rr_2fyl 2 . TRP 63 63 rr_2fyl 2 . ARG 64 64 rr_2fyl 2 . CYS 65 65 rr_2fyl 2 . ASP 66 66 rr_2fyl 2 . ASN 67 67 rr_2fyl 2 . ASP 68 68 rr_2fyl 2 . ASN 69 69 rr_2fyl 2 . ASP 70 70 rr_2fyl 2 . CYS 71 71 rr_2fyl 2 . GLY 72 72 rr_2fyl 2 . ASP 73 73 rr_2fyl 2 . ASN 74 74 rr_2fyl 2 . SER 75 75 rr_2fyl 2 . ASP 76 76 rr_2fyl 2 . GLU 77 77 rr_2fyl 2 . ALA 78 78 rr_2fyl 2 . GLY 79 79 rr_2fyl 2 . CYS 80 80 rr_2fyl 2 . SER 81 81 rr_2fyl 2 . HIS 82 82 rr_2fyl 2 stop_ save_ save_CALCIUM_ION _Entity.Sf_category entity _Entity.Sf_framecode CALCIUM_ION _Entity.Entry_ID rr_2fyl _Entity.ID 3 _Entity.Name CALCIUM_ION _Entity.Type non-polymer _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Number_of_monomers 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 3 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . rr_2fyl 3 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID rr_2fyl _Chem_comp.ID CA _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.PDB_code CA _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.08 save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_2fyl _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_2fyl _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_2fyl 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_2fyl 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 GLY C C 0.384 0.594 -15.028 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 2 . 1 1 1 GLY CA C -0.886 -0.213 -15.189 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 3 . 1 1 1 GLY H1 H -1.510 0.036 -13.217 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H1 . . . . . . . . . rr_2fyl 1 . 1 . 4 . 1 1 1 GLY H2 H -2.741 -0.460 -14.266 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H2 . . . . . . . . . rr_2fyl 1 . 1 . 5 . 1 1 1 GLY H3 H -2.194 1.146 -14.303 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H3 . . . . . . . . . rr_2fyl 1 . 1 . 6 . 1 1 1 GLY HA2 H -0.649 -1.262 -15.091 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 7 . 1 1 1 GLY HA3 H -1.294 -0.035 -16.173 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 8 . 1 1 1 GLY N N -1.904 0.149 -14.173 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 9 . 1 1 1 GLY O O 1.087 0.456 -14.029 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 10 . 1 1 2 GLU C C 1.727 3.377 -14.916 . . . 1.0 . . . . . . . . . . . . A . 18 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 11 . 1 1 2 GLU CA C 1.865 2.282 -15.970 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 12 . 1 1 2 GLU CB C 2.138 2.898 -17.347 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 13 . 1 1 2 GLU CD C 1.468 0.990 -18.852 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 14 . 1 1 2 GLU CG C 2.591 1.890 -18.391 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 15 . 1 1 2 GLU H H 0.056 1.526 -16.767 . . . 1.0 . . . . . . . . . . . . A . 18 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 16 . 1 1 2 GLU HA H 2.695 1.646 -15.700 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 17 . 1 1 2 GLU HB2 H 1.232 3.366 -17.701 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 18 . 1 1 2 GLU HB3 H 2.905 3.651 -17.248 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 19 . 1 1 2 GLU HG2 H 2.977 2.426 -19.246 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 20 . 1 1 2 GLU HG3 H 3.376 1.278 -17.969 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 21 . 1 1 2 GLU N N 0.667 1.451 -16.002 . . . 1.0 . . . . . . . . . . . . A . 18 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 22 . 1 1 2 GLU O O 2.707 3.776 -14.287 . . . 1.0 . . . . . . . . . . . . A . 18 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 23 . 1 1 2 GLU OE1 O 0.574 1.475 -19.572 . . . 1.0 . . . . . . . . . . . . A . 18 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 24 . 1 1 2 GLU OE2 O 1.464 -0.202 -18.484 . . . 1.0 . . . . . . . . . . . . A . 18 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 25 . 1 1 3 GLU C C 0.155 4.233 -12.357 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 26 . 1 1 3 GLU CA C 0.244 4.883 -13.730 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 27 . 1 1 3 GLU CB C -1.052 5.656 -14.045 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 28 . 1 1 3 GLU CD C -2.659 3.819 -14.763 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 29 . 1 1 3 GLU CG C -1.889 5.061 -15.176 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 30 . 1 1 3 GLU H H -0.244 3.492 -15.246 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 31 . 1 1 3 GLU HA H 1.077 5.570 -13.737 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 32 . 1 1 3 GLU HB2 H -1.661 5.688 -13.156 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 33 . 1 1 3 GLU HB3 H -0.790 6.669 -14.320 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 34 . 1 1 3 GLU HG2 H -2.595 5.804 -15.511 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 35 . 1 1 3 GLU HG3 H -1.229 4.803 -15.991 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 36 . 1 1 3 GLU N N 0.505 3.854 -14.723 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 37 . 1 1 3 GLU O O 0.897 4.582 -11.438 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 38 . 1 1 3 GLU OE1 O -2.032 2.746 -14.616 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 39 . 1 1 3 GLU OE2 O -3.890 3.905 -14.596 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 40 . 1 1 4 PHE C C -0.107 1.251 -11.004 . . . 1.0 . . . . . . . . . . . . A . 20 PHE C . . . . . . . . . rr_2fyl 1 . 1 . 41 . 1 1 4 PHE CA C -0.931 2.534 -11.007 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CA . . . . . . . . . rr_2fyl 1 . 1 . 42 . 1 1 4 PHE CB C -2.416 2.200 -10.813 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CB . . . . . . . . . rr_2fyl 1 . 1 . 43 . 1 1 4 PHE CD1 C -2.837 4.635 -10.310 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 44 . 1 1 4 PHE CD2 C -4.375 3.016 -9.474 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CD2 . . . . . . . . . rr_2fyl 1 . 1 . 45 . 1 1 4 PHE CE1 C -3.583 5.645 -9.735 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CE1 . . . . . . . . . rr_2fyl 1 . 1 . 46 . 1 1 4 PHE CE2 C -5.125 4.021 -8.896 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CE2 . . . . . . . . . rr_2fyl 1 . 1 . 47 . 1 1 4 PHE CG C -3.223 3.308 -10.187 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CG . . . . . . . . . rr_2fyl 1 . 1 . 48 . 1 1 4 PHE CZ C -4.727 5.338 -9.025 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CZ . . . . . . . . . rr_2fyl 1 . 1 . 49 . 1 1 4 PHE H H -1.269 3.011 -13.036 . . . 1.0 . . . . . . . . . . . . A . 20 PHE H . . . . . . . . . rr_2fyl 1 . 1 . 50 . 1 1 4 PHE HA H -0.603 3.165 -10.194 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HA . . . . . . . . . rr_2fyl 1 . 1 . 51 . 1 1 4 PHE HB2 H -2.853 1.979 -11.775 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HB2 . . . . . . . . . rr_2fyl 1 . 1 . 52 . 1 1 4 PHE HB3 H -2.498 1.329 -10.179 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HB3 . . . . . . . . . rr_2fyl 1 . 1 . 53 . 1 1 4 PHE HD1 H -1.943 4.878 -10.864 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HD1 . . . . . . . . . rr_2fyl 1 . 1 . 54 . 1 1 4 PHE HD2 H -4.686 1.986 -9.374 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HD2 . . . . . . . . . rr_2fyl 1 . 1 . 55 . 1 1 4 PHE HE1 H -3.270 6.673 -9.837 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HE1 . . . . . . . . . rr_2fyl 1 . 1 . 56 . 1 1 4 PHE HE2 H -6.020 3.778 -8.341 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HE2 . . . . . . . . . rr_2fyl 1 . 1 . 57 . 1 1 4 PHE HZ H -5.311 6.127 -8.574 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HZ . . . . . . . . . rr_2fyl 1 . 1 . 58 . 1 1 4 PHE N N -0.731 3.256 -12.247 . . . 1.0 . . . . . . . . . . . . A . 20 PHE N . . . . . . . . . rr_2fyl 1 . 1 . 59 . 1 1 4 PHE O O -0.590 0.190 -11.405 . . . 1.0 . . . . . . . . . . . . A . 20 PHE O . . . . . . . . . rr_2fyl 1 . 1 . 60 . 1 1 5 ARG C C 2.078 -0.340 -9.092 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 61 . 1 1 5 ARG CA C 2.031 0.199 -10.513 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 62 . 1 1 5 ARG CB C 3.447 0.562 -10.977 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 63 . 1 1 5 ARG CD C 3.742 -1.516 -12.404 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 64 . 1 1 5 ARG CG C 3.813 0.009 -12.352 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 65 . 1 1 5 ARG CZ C 4.479 -3.116 -10.667 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 66 . 1 1 5 ARG H H 1.486 2.237 -10.307 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 67 . 1 1 5 ARG HA H 1.629 -0.564 -11.163 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 68 . 1 1 5 ARG HB2 H 3.538 1.639 -11.012 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 69 . 1 1 5 ARG HB3 H 4.156 0.175 -10.258 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 70 . 1 1 5 ARG HD2 H 2.764 -1.831 -12.075 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 71 . 1 1 5 ARG HD3 H 3.893 -1.834 -13.424 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 72 . 1 1 5 ARG HE H 5.685 -1.850 -11.659 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 73 . 1 1 5 ARG HG2 H 3.127 0.411 -13.081 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 74 . 1 1 5 ARG HG3 H 4.818 0.321 -12.595 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 75 . 1 1 5 ARG HH11 H 2.494 -3.178 -11.072 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 76 . 1 1 5 ARG HH12 H 3.029 -4.261 -9.835 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 77 . 1 1 5 ARG HH21 H 6.402 -3.337 -10.051 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 78 . 1 1 5 ARG HH22 H 5.245 -4.361 -9.259 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 79 . 1 1 5 ARG N N 1.145 1.358 -10.578 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 80 . 1 1 5 ARG NE N 4.752 -2.155 -11.556 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 81 . 1 1 5 ARG NH1 N 3.234 -3.554 -10.517 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 82 . 1 1 5 ARG NH2 N 5.455 -3.646 -9.934 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 83 . 1 1 5 ARG O O 3.064 -0.942 -8.675 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 84 . 1 1 6 MET C C -0.412 -1.235 -6.703 . . . 1.0 . . . . . . . . . . . . A . 22 MET C . . . . . . . . . rr_2fyl 1 . 1 . 85 . 1 1 6 MET CA C 0.930 -0.569 -6.970 . . . 1.0 . . . . . . . . . . . . A . 22 MET CA . . . . . . . . . rr_2fyl 1 . 1 . 86 . 1 1 6 MET CB C 1.153 0.588 -6.002 . . . 1.0 . . . . . . . . . . . . A . 22 MET CB . . . . . . . . . rr_2fyl 1 . 1 . 87 . 1 1 6 MET CE C 3.918 -1.557 -3.852 . . . 1.0 . . . . . . . . . . . . A . 22 MET CE . . . . . . . . . rr_2fyl 1 . 1 . 88 . 1 1 6 MET CG C 2.320 0.349 -5.061 . . . 1.0 . . . . . . . . . . . . A . 22 MET CG . . . . . . . . . rr_2fyl 1 . 1 . 89 . 1 1 6 MET H H 0.251 0.374 -8.733 . . . 1.0 . . . . . . . . . . . . A . 22 MET H . . . . . . . . . rr_2fyl 1 . 1 . 90 . 1 1 6 MET HA H 1.712 -1.300 -6.825 . . . 1.0 . . . . . . . . . . . . A . 22 MET HA . . . . . . . . . rr_2fyl 1 . 1 . 91 . 1 1 6 MET HB2 H 1.349 1.488 -6.568 . . . 1.0 . . . . . . . . . . . . A . 22 MET HB2 . . . . . . . . . rr_2fyl 1 . 1 . 92 . 1 1 6 MET HB3 H 0.261 0.728 -5.409 . . . 1.0 . . . . . . . . . . . . A . 22 MET HB3 . . . . . . . . . rr_2fyl 1 . 1 . 93 . 1 1 6 MET HE1 H 4.468 -1.634 -4.778 . . . 1.0 . . . . . . . . . . . . A . 22 MET HE1 . . . . . . . . . rr_2fyl 1 . 1 . 94 . 1 1 6 MET HE2 H 4.006 -2.485 -3.303 . . . 1.0 . . . . . . . . . . . . A . 22 MET HE2 . . . . . . . . . rr_2fyl 1 . 1 . 95 . 1 1 6 MET HE3 H 4.322 -0.749 -3.260 . . . 1.0 . . . . . . . . . . . . A . 22 MET HE3 . . . . . . . . . rr_2fyl 1 . 1 . 96 . 1 1 6 MET HG2 H 3.235 0.361 -5.635 . . . 1.0 . . . . . . . . . . . . A . 22 MET HG2 . . . . . . . . . rr_2fyl 1 . 1 . 97 . 1 1 6 MET HG3 H 2.343 1.138 -4.326 . . . 1.0 . . . . . . . . . . . . A . 22 MET HG3 . . . . . . . . . rr_2fyl 1 . 1 . 98 . 1 1 6 MET N N 1.008 -0.110 -8.346 . . . 1.0 . . . . . . . . . . . . A . 22 MET N . . . . . . . . . rr_2fyl 1 . 1 . 99 . 1 1 6 MET O O -1.469 -0.626 -6.894 . . . 1.0 . . . . . . . . . . . . A . 22 MET O . . . . . . . . . rr_2fyl 1 . 1 . 100 . 1 1 6 MET SD S 2.191 -1.232 -4.204 . . . 1.0 . . . . . . . . . . . . A . 22 MET SD . . . . . . . . . rr_2fyl 1 . 1 . 101 . 1 1 7 GLU C C -2.422 -2.653 -4.854 . . . 1.0 . . . . . . . . . . . . A . 23 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 102 . 1 1 7 GLU CA C -1.567 -3.256 -5.966 . . . 1.0 . . . . . . . . . . . . A . 23 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 103 . 1 1 7 GLU CB C -1.206 -4.701 -5.608 . . . 1.0 . . . . . . . . . . . . A . 23 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 104 . 1 1 7 GLU CD C -0.528 -4.905 -8.047 . . . 1.0 . . . . . . . . . . . . A . 23 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 105 . 1 1 7 GLU CG C -0.306 -5.392 -6.628 . . . 1.0 . . . . . . . . . . . . A . 23 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 106 . 1 1 7 GLU H H 0.515 -2.883 -6.066 . . . 1.0 . . . . . . . . . . . . A . 23 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 107 . 1 1 7 GLU HA H -2.151 -3.266 -6.874 . . . 1.0 . . . . . . . . . . . . A . 23 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 108 . 1 1 7 GLU HB2 H -0.702 -4.703 -4.655 . . . 1.0 . . . . . . . . . . . . A . 23 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 109 . 1 1 7 GLU HB3 H -2.121 -5.272 -5.521 . . . 1.0 . . . . . . . . . . . . A . 23 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 110 . 1 1 7 GLU HG2 H 0.724 -5.209 -6.361 . . . 1.0 . . . . . . . . . . . . A . 23 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 111 . 1 1 7 GLU HG3 H -0.499 -6.456 -6.594 . . . 1.0 . . . . . . . . . . . . A . 23 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 112 . 1 1 7 GLU N N -0.362 -2.474 -6.232 . . . 1.0 . . . . . . . . . . . . A . 23 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 113 . 1 1 7 GLU O O -3.625 -2.902 -4.791 . . . 1.0 . . . . . . . . . . . . A . 23 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 114 . 1 1 7 GLU OE1 O -1.695 -4.888 -8.489 . . . 1.0 . . . . . . . . . . . . A . 23 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 115 . 1 1 7 GLU OE2 O 0.461 -4.551 -8.727 . . . 1.0 . . . . . . . . . . . . A . 23 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 116 . 1 1 8 LYS C C -3.678 -0.367 -3.419 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 117 . 1 1 8 LYS CA C -2.538 -1.236 -2.881 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 118 . 1 1 8 LYS CB C -1.590 -0.413 -1.988 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 119 . 1 1 8 LYS CD C 0.342 1.220 -1.820 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 120 . 1 1 8 LYS CE C 1.394 0.301 -1.207 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 121 . 1 1 8 LYS CG C -0.606 0.468 -2.754 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 122 . 1 1 8 LYS H H -0.843 -1.701 -4.076 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 123 . 1 1 8 LYS HA H -2.968 -2.031 -2.289 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 124 . 1 1 8 LYS HB2 H -2.182 0.224 -1.348 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 125 . 1 1 8 LYS HB3 H -1.021 -1.094 -1.370 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 126 . 1 1 8 LYS HD2 H 0.843 1.996 -2.379 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 127 . 1 1 8 LYS HD3 H -0.238 1.666 -1.025 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 128 . 1 1 8 LYS HE2 H 0.969 -0.182 -0.339 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 129 . 1 1 8 LYS HE3 H 1.666 -0.449 -1.935 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 130 . 1 1 8 LYS HG2 H -0.021 -0.155 -3.415 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 131 . 1 1 8 LYS HG3 H -1.162 1.186 -3.341 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 132 . 1 1 8 LYS HZ1 H 3.248 1.198 -1.617 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 133 . 1 1 8 LYS HZ2 H 3.145 0.498 -0.077 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 134 . 1 1 8 LYS HZ3 H 2.365 1.972 -0.386 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 135 . 1 1 8 LYS N N -1.805 -1.861 -3.982 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 136 . 1 1 8 LYS NZ N 2.620 1.041 -0.792 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 137 . 1 1 8 LYS O O -4.821 -0.468 -2.966 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 138 . 1 1 9 LEU C C -5.298 0.542 -5.936 . . . 1.0 . . . . . . . . . . . . A . 25 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 139 . 1 1 9 LEU CA C -4.365 1.325 -5.020 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 140 . 1 1 9 LEU CB C -3.675 2.433 -5.810 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 141 . 1 1 9 LEU CD1 C -1.629 3.864 -5.894 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 142 . 1 1 9 LEU CD2 C -3.476 4.419 -4.299 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 143 . 1 1 9 LEU CG C -2.717 3.300 -4.999 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 144 . 1 1 9 LEU H H -2.455 0.454 -4.768 . . . 1.0 . . . . . . . . . . . . A . 25 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 145 . 1 1 9 LEU HA H -4.945 1.766 -4.223 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 146 . 1 1 9 LEU HB2 H -3.121 1.979 -6.620 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 147 . 1 1 9 LEU HB3 H -4.435 3.074 -6.232 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 148 . 1 1 9 LEU HD11 H -1.100 3.053 -6.371 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 149 . 1 1 9 LEU HD12 H -0.939 4.441 -5.297 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 150 . 1 1 9 LEU HD13 H -2.073 4.498 -6.647 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 151 . 1 1 9 LEU HD21 H -2.780 5.044 -3.760 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 152 . 1 1 9 LEU HD22 H -4.187 3.993 -3.607 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 153 . 1 1 9 LEU HD23 H -4.000 5.014 -5.033 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 154 . 1 1 9 LEU HG H -2.243 2.691 -4.243 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 155 . 1 1 9 LEU N N -3.370 0.446 -4.420 . . . 1.0 . . . . . . . . . . . . A . 25 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 156 . 1 1 9 LEU O O -6.494 0.819 -5.999 . . . 1.0 . . . . . . . . . . . . A . 25 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 157 . 1 1 10 ASN C C -6.670 -1.971 -6.884 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 158 . 1 1 10 ASN CA C -5.501 -1.273 -7.565 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 159 . 1 1 10 ASN CB C -4.599 -2.330 -8.213 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 160 . 1 1 10 ASN CG C -3.701 -1.755 -9.293 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 161 . 1 1 10 ASN H H -3.779 -0.618 -6.517 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 162 . 1 1 10 ASN HA H -5.887 -0.627 -8.340 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 163 . 1 1 10 ASN HB2 H -3.977 -2.771 -7.453 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 164 . 1 1 10 ASN HB3 H -5.219 -3.098 -8.654 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 165 . 1 1 10 ASN HD21 H -2.365 -3.207 -8.999 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 166 . 1 1 10 ASN HD22 H -1.967 -2.040 -10.215 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 167 . 1 1 10 ASN N N -4.737 -0.444 -6.632 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 168 . 1 1 10 ASN ND2 N -2.566 -2.396 -9.526 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 169 . 1 1 10 ASN O O -7.808 -1.878 -7.342 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 170 . 1 1 10 ASN OD1 O -4.030 -0.753 -9.923 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 171 . 1 1 11 GLN C C -8.456 -2.472 -4.421 . . . 1.0 . . . . . . . . . . . . A . 27 GLN C . . . . . . . . . rr_2fyl 1 . 1 . 172 . 1 1 11 GLN CA C -7.414 -3.394 -5.048 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CA . . . . . . . . . rr_2fyl 1 . 1 . 173 . 1 1 11 GLN CB C -6.777 -4.274 -3.975 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CB . . . . . . . . . rr_2fyl 1 . 1 . 174 . 1 1 11 GLN CD C -5.751 -6.561 -3.701 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CD . . . . . . . . . rr_2fyl 1 . 1 . 175 . 1 1 11 GLN CG C -5.806 -5.300 -4.535 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CG . . . . . . . . . rr_2fyl 1 . 1 . 176 . 1 1 11 GLN H H -5.464 -2.652 -5.437 . . . 1.0 . . . . . . . . . . . . A . 27 GLN H . . . . . . . . . rr_2fyl 1 . 1 . 177 . 1 1 11 GLN HA H -7.914 -4.033 -5.760 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HA . . . . . . . . . rr_2fyl 1 . 1 . 178 . 1 1 11 GLN HB2 H -6.241 -3.644 -3.283 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 179 . 1 1 11 GLN HB3 H -7.557 -4.800 -3.442 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 180 . 1 1 11 GLN HE21 H -4.418 -5.728 -2.493 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HE21 . . . . . . . . . rr_2fyl 1 . 1 . 181 . 1 1 11 GLN HE22 H -4.887 -7.344 -2.095 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HE22 . . . . . . . . . rr_2fyl 1 . 1 . 182 . 1 1 11 GLN HG2 H -6.116 -5.560 -5.537 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HG2 . . . . . . . . . rr_2fyl 1 . 1 . 183 . 1 1 11 GLN HG3 H -4.820 -4.860 -4.566 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HG3 . . . . . . . . . rr_2fyl 1 . 1 . 184 . 1 1 11 GLN N N -6.386 -2.651 -5.777 . . . 1.0 . . . . . . . . . . . . A . 27 GLN N . . . . . . . . . rr_2fyl 1 . 1 . 185 . 1 1 11 GLN NE2 N -4.936 -6.545 -2.661 . . . 1.0 . . . . . . . . . . . . A . 27 GLN NE2 . . . . . . . . . rr_2fyl 1 . 1 . 186 . 1 1 11 GLN O O -9.627 -2.835 -4.317 . . . 1.0 . . . . . . . . . . . . A . 27 GLN O . . . . . . . . . rr_2fyl 1 . 1 . 187 . 1 1 11 GLN OE1 O -6.444 -7.541 -3.986 . . . 1.0 . . . . . . . . . . . . A . 27 GLN OE1 . . . . . . . . . rr_2fyl 1 . 1 . 188 . 1 1 12 LEU C C -9.893 0.265 -4.458 . . . 1.0 . . . . . . . . . . . . A . 28 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 189 . 1 1 12 LEU CA C -8.982 -0.344 -3.391 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 190 . 1 1 12 LEU CB C -8.240 0.761 -2.638 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 191 . 1 1 12 LEU CD1 C -9.943 0.882 -0.792 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 192 . 1 1 12 LEU CD2 C -8.289 2.725 -1.079 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 193 . 1 1 12 LEU CG C -9.129 1.684 -1.797 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 194 . 1 1 12 LEU H H -7.090 -1.043 -4.065 . . . 1.0 . . . . . . . . . . . . A . 28 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 195 . 1 1 12 LEU HA H -9.592 -0.896 -2.692 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 196 . 1 1 12 LEU HB2 H -7.515 0.299 -1.983 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 197 . 1 1 12 LEU HB3 H -7.715 1.367 -3.359 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 198 . 1 1 12 LEU HD11 H -9.280 0.264 -0.205 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 199 . 1 1 12 LEU HD12 H -10.649 0.256 -1.317 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 200 . 1 1 12 LEU HD13 H -10.474 1.559 -0.140 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 201 . 1 1 12 LEU HD21 H -7.593 2.230 -0.418 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 202 . 1 1 12 LEU HD22 H -8.933 3.373 -0.503 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 203 . 1 1 12 LEU HD23 H -7.742 3.311 -1.803 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 204 . 1 1 12 LEU HG H -9.818 2.202 -2.449 . . . 1.0 . . . . . . . . . . . . A . 28 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 205 . 1 1 12 LEU N N -8.041 -1.286 -3.991 . . . 1.0 . . . . . . . . . . . . A . 28 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 206 . 1 1 12 LEU O O -11.096 0.442 -4.240 . . . 1.0 . . . . . . . . . . . . A . 28 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 207 . 1 1 13 TRP C C -11.156 0.216 -7.211 . . . 1.0 . . . . . . . . . . . . A . 29 TRP C . . . . . . . . . rr_2fyl 1 . 1 . 208 . 1 1 13 TRP CA C -10.045 1.150 -6.728 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CA . . . . . . . . . rr_2fyl 1 . 1 . 209 . 1 1 13 TRP CB C -9.076 1.462 -7.876 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CB . . . . . . . . . rr_2fyl 1 . 1 . 210 . 1 1 13 TRP CD1 C -9.651 1.548 -10.368 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CD1 . . . . . . . . . rr_2fyl 1 . 1 . 211 . 1 1 13 TRP CD2 C -10.578 3.187 -9.158 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CD2 . . . . . . . . . rr_2fyl 1 . 1 . 212 . 1 1 13 TRP CE2 C -10.967 3.346 -10.501 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CE2 . . . . . . . . . rr_2fyl 1 . 1 . 213 . 1 1 13 TRP CE3 C -11.035 4.106 -8.210 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CE3 . . . . . . . . . rr_2fyl 1 . 1 . 214 . 1 1 13 TRP CG C -9.736 2.030 -9.094 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CG . . . . . . . . . rr_2fyl 1 . 1 . 215 . 1 1 13 TRP CH2 C -12.230 5.264 -9.968 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CH2 . . . . . . . . . rr_2fyl 1 . 1 . 216 . 1 1 13 TRP CZ2 C -11.799 4.380 -10.916 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CZ2 . . . . . . . . . rr_2fyl 1 . 1 . 217 . 1 1 13 TRP CZ3 C -11.859 5.132 -8.626 . . . 1.0 . . . . . . . . . . . . A . 29 TRP CZ3 . . . . . . . . . rr_2fyl 1 . 1 . 218 . 1 1 13 TRP H H -8.349 0.392 -5.716 . . . 1.0 . . . . . . . . . . . . A . 29 TRP H . . . . . . . . . rr_2fyl 1 . 1 . 219 . 1 1 13 TRP HA H -10.490 2.070 -6.385 . . . 1.0 . . . . . . . . . . . . A . 29 TRP HA . . . . . . . . . rr_2fyl 1 . 1 . 220 . 1 1 13 TRP HB2 H -8.342 2.177 -7.535 . . . 1.0 . . . . . . . . . . . . A . 29 TRP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 221 . 1 1 13 TRP HB3 H -8.573 0.552 -8.165 . . . 1.0 . . . . . . . . . . . . A . 29 TRP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 222 . 1 1 13 TRP HD1 H -9.080 0.675 -10.650 . . . 1.0 . . . . . . . . . . . . A . 29 TRP HD1 . . . . . . . . . rr_2fyl 1 . 1 . 223 . 1 1 13 TRP HE1 H -10.490 2.188 -12.187 . . . 1.0 . . . . . . . . . . . . A . 29 TRP HE1 . . . . . . . . . rr_2fyl 1 . 1 . 224 . 1 1 13 TRP HE3 H -10.759 4.020 -7.170 . . . 1.0 . . . . . . . . . . . . A . 29 TRP HE3 . . . . . . . . . rr_2fyl 1 . 1 . 225 . 1 1 13 TRP HH2 H -12.872 6.084 -10.248 . . . 1.0 . . . . . . . . . . . . A . 29 TRP HH2 . . . . . . . . . rr_2fyl 1 . 1 . 226 . 1 1 13 TRP HZ2 H -12.098 4.497 -11.947 . . . 1.0 . . . . . . . . . . . . A . 29 TRP HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 227 . 1 1 13 TRP HZ3 H -12.223 5.854 -7.910 . . . 1.0 . . . . . . . . . . . . A . 29 TRP HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 228 . 1 1 13 TRP N N -9.311 0.564 -5.613 . . . 1.0 . . . . . . . . . . . . A . 29 TRP N . . . . . . . . . rr_2fyl 1 . 1 . 229 . 1 1 13 TRP NE1 N -10.390 2.332 -11.219 . . . 1.0 . . . . . . . . . . . . A . 29 TRP NE1 . . . . . . . . . rr_2fyl 1 . 1 . 230 . 1 1 13 TRP O O -12.298 0.636 -7.421 . . . 1.0 . . . . . . . . . . . . A . 29 TRP O . . . . . . . . . rr_2fyl 1 . 1 . 231 . 1 1 14 GLU C C -12.826 -2.346 -6.762 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 232 . 1 1 14 GLU CA C -11.799 -2.029 -7.841 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 233 . 1 1 14 GLU CB C -11.111 -3.304 -8.304 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 234 . 1 1 14 GLU CD C -9.941 -5.369 -7.496 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 235 . 1 1 14 GLU CG C -10.186 -3.901 -7.268 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 236 . 1 1 14 GLU H H -9.904 -1.342 -7.184 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 237 . 1 1 14 GLU HA H -12.315 -1.594 -8.681 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 238 . 1 1 14 GLU HB2 H -11.866 -4.038 -8.548 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 239 . 1 1 14 GLU HB3 H -10.532 -3.087 -9.191 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 240 . 1 1 14 GLU HG2 H -9.239 -3.384 -7.309 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 241 . 1 1 14 GLU HG3 H -10.627 -3.770 -6.290 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 242 . 1 1 14 GLU N N -10.825 -1.054 -7.377 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 243 . 1 1 14 GLU O O -13.973 -2.656 -7.077 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 244 . 1 1 14 GLU OE1 O -9.783 -5.778 -8.667 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 245 . 1 1 14 GLU OE2 O -9.893 -6.123 -6.508 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 246 . 1 1 15 LYS C C -14.537 -1.609 -4.461 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 247 . 1 1 15 LYS CA C -13.330 -2.536 -4.387 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 248 . 1 1 15 LYS CB C -12.628 -2.367 -3.034 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 249 . 1 1 15 LYS CD C -12.799 -2.510 -0.520 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 250 . 1 1 15 LYS CE C -13.717 -2.799 0.662 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 251 . 1 1 15 LYS CG C -13.537 -2.644 -1.844 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 252 . 1 1 15 LYS H H -11.490 -2.012 -5.302 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 253 . 1 1 15 LYS HA H -13.670 -3.556 -4.482 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 254 . 1 1 15 LYS HB2 H -11.787 -3.046 -2.988 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 255 . 1 1 15 LYS HB3 H -12.265 -1.352 -2.956 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 256 . 1 1 15 LYS HD2 H -11.979 -3.211 -0.506 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 257 . 1 1 15 LYS HD3 H -12.417 -1.503 -0.434 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 258 . 1 1 15 LYS HE2 H -13.179 -2.593 1.577 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 259 . 1 1 15 LYS HE3 H -14.578 -2.149 0.600 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 260 . 1 1 15 LYS HG2 H -14.357 -1.942 -1.859 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 261 . 1 1 15 LYS HG3 H -13.922 -3.650 -1.930 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 262 . 1 1 15 LYS HZ1 H -14.105 -4.636 -0.268 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 263 . 1 1 15 LYS HZ2 H -15.173 -4.263 0.990 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 264 . 1 1 15 LYS HZ3 H -13.604 -4.775 1.344 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 265 . 1 1 15 LYS N N -12.421 -2.262 -5.494 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 266 . 1 1 15 LYS NZ N -14.181 -4.215 0.684 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 267 . 1 1 15 LYS O O -15.678 -2.044 -4.307 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 268 . 1 1 16 ALA C C -16.259 0.324 -5.993 . . . 1.0 . . . . . . . . . . . . A . 32 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 269 . 1 1 16 ALA CA C -15.328 0.659 -4.832 . . . 1.0 . . . . . . . . . . . . A . 32 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 270 . 1 1 16 ALA CB C -14.719 2.040 -5.008 . . . 1.0 . . . . . . . . . . . . A . 32 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 271 . 1 1 16 ALA H H -13.339 -0.057 -4.844 . . . 1.0 . . . . . . . . . . . . A . 32 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 272 . 1 1 16 ALA HA H -15.894 0.654 -3.911 . . . 1.0 . . . . . . . . . . . . A . 32 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 273 . 1 1 16 ALA HB1 H -14.224 2.095 -5.966 . . . 1.0 . . . . . . . . . . . . A . 32 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 274 . 1 1 16 ALA HB2 H -14.000 2.216 -4.222 . . . 1.0 . . . . . . . . . . . . A . 32 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 275 . 1 1 16 ALA HB3 H -15.494 2.789 -4.959 . . . 1.0 . . . . . . . . . . . . A . 32 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 276 . 1 1 16 ALA N N -14.273 -0.336 -4.723 . . . 1.0 . . . . . . . . . . . . A . 32 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 277 . 1 1 16 ALA O O -17.479 0.450 -5.885 . . . 1.0 . . . . . . . . . . . . A . 32 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 278 . 1 1 17 GLN C C -17.288 -1.738 -8.013 . . . 1.0 . . . . . . . . . . . . A . 33 GLN C . . . . . . . . . rr_2fyl 1 . 1 . 279 . 1 1 17 GLN CA C -16.441 -0.495 -8.279 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CA . . . . . . . . . rr_2fyl 1 . 1 . 280 . 1 1 17 GLN CB C -15.507 -0.744 -9.464 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CB . . . . . . . . . rr_2fyl 1 . 1 . 281 . 1 1 17 GLN CD C -13.673 0.195 -10.928 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CD . . . . . . . . . rr_2fyl 1 . 1 . 282 . 1 1 17 GLN CG C -14.763 0.501 -9.920 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CG . . . . . . . . . rr_2fyl 1 . 1 . 283 . 1 1 17 GLN H H -14.694 -0.212 -7.115 . . . 1.0 . . . . . . . . . . . . A . 33 GLN H . . . . . . . . . rr_2fyl 1 . 1 . 284 . 1 1 17 GLN HA H -17.098 0.329 -8.518 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HA . . . . . . . . . rr_2fyl 1 . 1 . 285 . 1 1 17 GLN HB2 H -14.778 -1.489 -9.179 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 286 . 1 1 17 GLN HB3 H -16.086 -1.117 -10.295 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 287 . 1 1 17 GLN HE21 H -12.367 -0.056 -9.458 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HE21 . . . . . . . . . rr_2fyl 1 . 1 . 288 . 1 1 17 GLN HE22 H -11.753 -0.294 -11.058 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HE22 . . . . . . . . . rr_2fyl 1 . 1 . 289 . 1 1 17 GLN HG2 H -15.468 1.182 -10.370 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HG2 . . . . . . . . . rr_2fyl 1 . 1 . 290 . 1 1 17 GLN HG3 H -14.311 0.969 -9.057 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HG3 . . . . . . . . . rr_2fyl 1 . 1 . 291 . 1 1 17 GLN N N -15.672 -0.129 -7.096 . . . 1.0 . . . . . . . . . . . . A . 33 GLN N . . . . . . . . . rr_2fyl 1 . 1 . 292 . 1 1 17 GLN NE2 N -12.478 -0.075 -10.434 . . . 1.0 . . . . . . . . . . . . A . 33 GLN NE2 . . . . . . . . . rr_2fyl 1 . 1 . 293 . 1 1 17 GLN O O -18.420 -1.838 -8.480 . . . 1.0 . . . . . . . . . . . . A . 33 GLN O . . . . . . . . . rr_2fyl 1 . 1 . 294 . 1 1 17 GLN OE1 O -13.903 0.214 -12.140 . . . 1.0 . . . . . . . . . . . . A . 33 GLN OE1 . . . . . . . . . rr_2fyl 1 . 1 . 295 . 1 1 18 ARG C C -18.612 -3.632 -5.979 . . . 1.0 . . . . . . . . . . . . A . 34 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 296 . 1 1 18 ARG CA C -17.438 -3.910 -6.913 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 297 . 1 1 18 ARG CB C -16.480 -4.913 -6.270 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 298 . 1 1 18 ARG CD C -15.529 -6.984 -7.327 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 299 . 1 1 18 ARG CG C -15.446 -5.470 -7.237 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 300 . 1 1 18 ARG CZ C -17.417 -8.579 -7.306 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 301 . 1 1 18 ARG H H -15.824 -2.533 -6.904 . . . 1.0 . . . . . . . . . . . . A . 34 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 302 . 1 1 18 ARG HA H -17.818 -4.330 -7.833 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 303 . 1 1 18 ARG HB2 H -15.958 -4.426 -5.458 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 304 . 1 1 18 ARG HB3 H -17.053 -5.737 -5.875 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 305 . 1 1 18 ARG HD2 H -14.811 -7.328 -8.056 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 306 . 1 1 18 ARG HD3 H -15.288 -7.402 -6.361 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 307 . 1 1 18 ARG HE H -17.375 -6.856 -8.330 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 308 . 1 1 18 ARG HG2 H -15.622 -5.053 -8.217 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 309 . 1 1 18 ARG HG3 H -14.460 -5.192 -6.896 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 310 . 1 1 18 ARG HH11 H -15.806 -9.163 -6.220 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 311 . 1 1 18 ARG HH12 H -17.152 -10.263 -6.194 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 312 . 1 1 18 ARG HH21 H -19.155 -8.296 -8.308 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 313 . 1 1 18 ARG HH22 H -19.061 -9.760 -7.385 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 314 . 1 1 18 ARG N N -16.736 -2.674 -7.247 . . . 1.0 . . . . . . . . . . . . A . 34 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 315 . 1 1 18 ARG NE N -16.862 -7.439 -7.723 . . . 1.0 . . . . . . . . . . . . A . 34 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 316 . 1 1 18 ARG NH1 N -16.738 -9.396 -6.512 . . . 1.0 . . . . . . . . . . . . A . 34 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 317 . 1 1 18 ARG NH2 N -18.641 -8.904 -7.698 . . . 1.0 . . . . . . . . . . . . A . 34 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 318 . 1 1 18 ARG O O -19.556 -4.418 -5.897 . . . 1.0 . . . . . . . . . . . . A . 34 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 319 . 1 1 19 LEU C C -20.665 -1.325 -5.112 . . . 1.0 . . . . . . . . . . . . A . 35 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 320 . 1 1 19 LEU CA C -19.611 -2.126 -4.355 . . . 1.0 . . . . . . . . . . . . A . 35 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 321 . 1 1 19 LEU CB C -19.060 -1.314 -3.178 . . . 1.0 . . . . . . . . . . . . A . 35 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 322 . 1 1 19 LEU CD1 C -17.549 -1.152 -1.180 . . . 1.0 . . . . . . . . . . . . A . 35 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 323 . 1 1 19 LEU CD2 C -18.552 -3.359 -1.801 . . . 1.0 . . . . . . . . . . . . A . 35 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 324 . 1 1 19 LEU CG C -18.009 -2.036 -2.328 . . . 1.0 . . . . . . . . . . . . A . 35 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 325 . 1 1 19 LEU H H -17.748 -1.943 -5.349 . . . 1.0 . . . . . . . . . . . . A . 35 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 326 . 1 1 19 LEU HA H -20.069 -3.029 -3.978 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 327 . 1 1 19 LEU HB2 H -18.620 -0.408 -3.569 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 328 . 1 1 19 LEU HB3 H -19.887 -1.044 -2.536 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 329 . 1 1 19 LEU HD11 H -16.824 -1.689 -0.582 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 330 . 1 1 19 LEU HD12 H -18.397 -0.887 -0.566 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 331 . 1 1 19 LEU HD13 H -17.094 -0.257 -1.574 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 332 . 1 1 19 LEU HD21 H -18.708 -4.037 -2.628 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 333 . 1 1 19 LEU HD22 H -19.488 -3.189 -1.293 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 334 . 1 1 19 LEU HD23 H -17.841 -3.792 -1.112 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 335 . 1 1 19 LEU HG H -17.147 -2.250 -2.944 . . . 1.0 . . . . . . . . . . . . A . 35 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 336 . 1 1 19 LEU N N -18.541 -2.516 -5.266 . . . 1.0 . . . . . . . . . . . . A . 35 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 337 . 1 1 19 LEU O O -21.728 -1.012 -4.575 . . . 1.0 . . . . . . . . . . . . A . 35 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 338 . 1 1 20 HIS C C -21.341 1.197 -6.884 . . . 1.0 . . . . . . . . . . . . A . 36 HIS C . . . . . . . . . rr_2fyl 1 . 1 . 339 . 1 1 20 HIS CA C -21.220 -0.274 -7.279 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CA . . . . . . . . . rr_2fyl 1 . 1 . 340 . 1 1 20 HIS CB C -22.609 -0.922 -7.376 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CB . . . . . . . . . rr_2fyl 1 . 1 . 341 . 1 1 20 HIS CD2 C -22.437 -3.499 -7.656 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CD2 . . . . . . . . . rr_2fyl 1 . 1 . 342 . 1 1 20 HIS CE1 C -22.744 -3.608 -9.821 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CE1 . . . . . . . . . rr_2fyl 1 . 1 . 343 . 1 1 20 HIS CG C -22.607 -2.233 -8.105 . . . 1.0 . . . . . . . . . . . . A . 36 HIS CG . . . . . . . . . rr_2fyl 1 . 1 . 344 . 1 1 20 HIS H H -19.468 -1.306 -6.705 . . . 1.0 . . . . . . . . . . . . A . 36 HIS H . . . . . . . . . rr_2fyl 1 . 1 . 345 . 1 1 20 HIS HA H -20.760 -0.315 -8.255 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HA . . . . . . . . . rr_2fyl 1 . 1 . 346 . 1 1 20 HIS HB2 H -22.986 -1.096 -6.382 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 347 . 1 1 20 HIS HB3 H -23.277 -0.251 -7.898 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 348 . 1 1 20 HIS HD1 H -22.949 -1.589 -10.086 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HD1 . . . . . . . . . rr_2fyl 1 . 1 . 349 . 1 1 20 HIS HD2 H -22.262 -3.797 -6.632 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 350 . 1 1 20 HIS HE1 H -22.860 -3.990 -10.826 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HE1 . . . . . . . . . rr_2fyl 1 . 1 . 351 . 1 1 20 HIS HE2 H -22.256 -5.282 -8.748 . . . 1.0 . . . . . . . . . . . . A . 36 HIS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 352 . 1 1 20 HIS N N -20.344 -1.019 -6.370 . . . 1.0 . . . . . . . . . . . . A . 36 HIS N . . . . . . . . . rr_2fyl 1 . 1 . 353 . 1 1 20 HIS ND1 N -22.798 -2.337 -9.467 . . . 1.0 . . . . . . . . . . . . A . 36 HIS ND1 . . . . . . . . . rr_2fyl 1 . 1 . 354 . 1 1 20 HIS NE2 N -22.522 -4.334 -8.742 . . . 1.0 . . . . . . . . . . . . A . 36 HIS NE2 . . . . . . . . . rr_2fyl 1 . 1 . 355 . 1 1 20 HIS O O -21.996 1.544 -5.900 . . . 1.0 . . . . . . . . . . . . A . 36 HIS O . . . . . . . . . rr_2fyl 1 . 1 . 356 . 1 1 21 LEU C C -20.780 4.223 -8.783 . . . 1.0 . . . . . . . . . . . . A . 37 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 357 . 1 1 21 LEU CA C -20.716 3.491 -7.444 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 358 . 1 1 21 LEU CB C -19.477 3.939 -6.661 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 359 . 1 1 21 LEU CD1 C -18.156 3.918 -4.531 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 360 . 1 1 21 LEU CD2 C -20.577 4.529 -4.480 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 361 . 1 1 21 LEU CG C -19.518 3.664 -5.155 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 362 . 1 1 21 LEU H H -20.179 1.703 -8.425 . . . 1.0 . . . . . . . . . . . . A . 37 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 363 . 1 1 21 LEU HA H -21.602 3.726 -6.872 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 364 . 1 1 21 LEU HB2 H -18.616 3.433 -7.075 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 365 . 1 1 21 LEU HB3 H -19.353 5.001 -6.809 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 366 . 1 1 21 LEU HD11 H -17.901 4.963 -4.637 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 367 . 1 1 21 LEU HD12 H -17.414 3.313 -5.030 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 368 . 1 1 21 LEU HD13 H -18.185 3.658 -3.482 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 369 . 1 1 21 LEU HD21 H -20.369 5.570 -4.677 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 370 . 1 1 21 LEU HD22 H -20.559 4.355 -3.412 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 371 . 1 1 21 LEU HD23 H -21.551 4.276 -4.870 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 372 . 1 1 21 LEU HG H -19.774 2.628 -4.991 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 373 . 1 1 21 LEU N N -20.693 2.051 -7.668 . . . 1.0 . . . . . . . . . . . . A . 37 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 374 . 1 1 21 LEU O O -20.240 3.743 -9.783 . . . 1.0 . . . . . . . . . . . . A . 37 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 375 . 1 1 22 PRO C C -20.262 6.812 -10.485 . . . 1.0 . . . . . . . . . . . . A . 38 PRO C . . . . . . . . . rr_2fyl 1 . 1 . 376 . 1 1 22 PRO CA C -21.586 6.172 -10.056 . . . 1.0 . . . . . . . . . . . . A . 38 PRO CA . . . . . . . . . rr_2fyl 1 . 1 . 377 . 1 1 22 PRO CB C -22.603 7.249 -9.679 . . . 1.0 . . . . . . . . . . . . A . 38 PRO CB . . . . . . . . . rr_2fyl 1 . 1 . 378 . 1 1 22 PRO CD C -22.161 6.000 -7.690 . . . 1.0 . . . . . . . . . . . . A . 38 PRO CD . . . . . . . . . rr_2fyl 1 . 1 . 379 . 1 1 22 PRO CG C -22.498 7.373 -8.200 . . . 1.0 . . . . . . . . . . . . A . 38 PRO CG . . . . . . . . . rr_2fyl 1 . 1 . 380 . 1 1 22 PRO HA H -21.974 5.577 -10.869 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HA . . . . . . . . . rr_2fyl 1 . 1 . 381 . 1 1 22 PRO HB2 H -22.348 8.175 -10.173 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HB2 . . . . . . . . . rr_2fyl 1 . 1 . 382 . 1 1 22 PRO HB3 H -23.590 6.933 -9.980 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HB3 . . . . . . . . . rr_2fyl 1 . 1 . 383 . 1 1 22 PRO HD2 H -21.516 6.067 -6.825 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HD2 . . . . . . . . . rr_2fyl 1 . 1 . 384 . 1 1 22 PRO HD3 H -23.062 5.453 -7.448 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HD3 . . . . . . . . . rr_2fyl 1 . 1 . 385 . 1 1 22 PRO HG2 H -21.713 8.070 -7.948 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HG2 . . . . . . . . . rr_2fyl 1 . 1 . 386 . 1 1 22 PRO HG3 H -23.441 7.706 -7.793 . . . 1.0 . . . . . . . . . . . . A . 38 PRO HG3 . . . . . . . . . rr_2fyl 1 . 1 . 387 . 1 1 22 PRO N N -21.458 5.379 -8.827 . . . 1.0 . . . . . . . . . . . . A . 38 PRO N . . . . . . . . . rr_2fyl 1 . 1 . 388 . 1 1 22 PRO O O -19.376 7.050 -9.659 . . . 1.0 . . . . . . . . . . . . A . 38 PRO O . . . . . . . . . rr_2fyl 1 . 1 . 389 . 1 1 23 PRO C C -18.497 9.004 -11.650 . . . 1.0 . . . . . . . . . . . . A . 39 PRO C . . . . . . . . . rr_2fyl 1 . 1 . 390 . 1 1 23 PRO CA C -18.906 7.715 -12.359 . . . 1.0 . . . . . . . . . . . . A . 39 PRO CA . . . . . . . . . rr_2fyl 1 . 1 . 391 . 1 1 23 PRO CB C -19.274 8.006 -13.822 . . . 1.0 . . . . . . . . . . . . A . 39 PRO CB . . . . . . . . . rr_2fyl 1 . 1 . 392 . 1 1 23 PRO CD C -21.123 6.850 -12.835 . . . 1.0 . . . . . . . . . . . . A . 39 PRO CD . . . . . . . . . rr_2fyl 1 . 1 . 393 . 1 1 23 PRO CG C -20.753 7.837 -13.906 . . . 1.0 . . . . . . . . . . . . A . 39 PRO CG . . . . . . . . . rr_2fyl 1 . 1 . 394 . 1 1 23 PRO HA H -18.078 7.023 -12.332 . . . 1.0 . . . . . . . . . . . . A . 39 PRO HA . . . . . . . . . rr_2fyl 1 . 1 . 395 . 1 1 23 PRO HB2 H -18.981 9.015 -14.072 . . . 1.0 . . . . . . . . . . . . A . 39 PRO HB2 . . . . . . . . . rr_2fyl 1 . 1 . 396 . 1 1 23 PRO HB3 H -18.763 7.310 -14.467 . . . 1.0 . . . . . . . . . . . . A . 39 PRO HB3 . . . . . . . . . rr_2fyl 1 . 1 . 397 . 1 1 23 PRO HD2 H -22.120 7.045 -12.468 . . . 1.0 . . . . . . . . . . . . A . 39 PRO HD2 . . . . . . . . . rr_2fyl 1 . 1 . 398 . 1 1 23 PRO HD3 H -21.044 5.838 -13.207 . . . 1.0 . . . . . . . . . . . . A . 39 PRO HD3 . . . . . . . . . rr_2fyl 1 . 1 . 399 . 1 1 23 PRO HG2 H -21.239 8.784 -13.726 . . . 1.0 . . . . . . . . . . . . A . 39 PRO HG2 . . . . . . . . . rr_2fyl 1 . 1 . 400 . 1 1 23 PRO HG3 H -21.022 7.454 -14.879 . . . 1.0 . . . . . . . . . . . . A . 39 PRO HG3 . . . . . . . . . rr_2fyl 1 . 1 . 401 . 1 1 23 PRO N N -20.118 7.106 -11.794 . . . 1.0 . . . . . . . . . . . . A . 39 PRO N . . . . . . . . . rr_2fyl 1 . 1 . 402 . 1 1 23 PRO O O -17.312 9.254 -11.454 . . . 1.0 . . . . . . . . . . . . A . 39 PRO O . . . . . . . . . rr_2fyl 1 . 1 . 403 . 1 1 24 VAL C C -18.447 10.818 -9.257 . . . 1.0 . . . . . . . . . . . . A . 40 VAL C . . . . . . . . . rr_2fyl 1 . 1 . 404 . 1 1 24 VAL CA C -19.202 11.070 -10.568 . . . 1.0 . . . . . . . . . . . . A . 40 VAL CA . . . . . . . . . rr_2fyl 1 . 1 . 405 . 1 1 24 VAL CB C -20.504 11.861 -10.288 . . . 1.0 . . . . . . . . . . . . A . 40 VAL CB . . . . . . . . . rr_2fyl 1 . 1 . 406 . 1 1 24 VAL CG1 C -21.385 11.144 -9.278 . . . 1.0 . . . . . . . . . . . . A . 40 VAL CG1 . . . . . . . . . rr_2fyl 1 . 1 . 407 . 1 1 24 VAL CG2 C -20.191 13.274 -9.818 . . . 1.0 . . . . . . . . . . . . A . 40 VAL CG2 . . . . . . . . . rr_2fyl 1 . 1 . 408 . 1 1 24 VAL H H -20.411 9.564 -11.448 . . . 1.0 . . . . . . . . . . . . A . 40 VAL H . . . . . . . . . rr_2fyl 1 . 1 . 409 . 1 1 24 VAL HA H -18.576 11.669 -11.216 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HA . . . . . . . . . rr_2fyl 1 . 1 . 410 . 1 1 24 VAL HB H -21.053 11.933 -11.216 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HB . . . . . . . . . rr_2fyl 1 . 1 . 411 . 1 1 24 VAL HG11 H -21.615 10.154 -9.640 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG11 . . . . . . . . . rr_2fyl 1 . 1 . 412 . 1 1 24 VAL HG12 H -22.300 11.698 -9.141 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG12 . . . . . . . . . rr_2fyl 1 . 1 . 413 . 1 1 24 VAL HG13 H -20.865 11.072 -8.335 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG13 . . . . . . . . . rr_2fyl 1 . 1 . 414 . 1 1 24 VAL HG21 H -19.546 13.232 -8.953 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG21 . . . . . . . . . rr_2fyl 1 . 1 . 415 . 1 1 24 VAL HG22 H -21.110 13.776 -9.555 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG22 . . . . . . . . . rr_2fyl 1 . 1 . 416 . 1 1 24 VAL HG23 H -19.698 13.818 -10.610 . . . 1.0 . . . . . . . . . . . . A . 40 VAL HG23 . . . . . . . . . rr_2fyl 1 . 1 . 417 . 1 1 24 VAL N N -19.480 9.813 -11.260 . . . 1.0 . . . . . . . . . . . . A . 40 VAL N . . . . . . . . . rr_2fyl 1 . 1 . 418 . 1 1 24 VAL O O -17.609 11.621 -8.840 . . . 1.0 . . . . . . . . . . . . A . 40 VAL O . . . . . . . . . rr_2fyl 1 . 1 . 419 . 1 1 25 ARG C C -16.721 8.710 -7.661 . . . 1.0 . . . . . . . . . . . . A . 41 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 420 . 1 1 25 ARG CA C -18.078 9.324 -7.375 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 421 . 1 1 25 ARG CB C -18.944 8.342 -6.584 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 422 . 1 1 25 ARG CD C -19.933 9.771 -4.768 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 423 . 1 1 25 ARG CG C -20.209 8.968 -6.029 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 424 . 1 1 25 ARG CZ C -20.353 9.560 -2.352 . . . 1.0 . . . . . . . . . . . . A . 41 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 425 . 1 1 25 ARG H H -19.391 9.075 -9.012 . . . 1.0 . . . . . . . . . . . . A . 41 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 426 . 1 1 25 ARG HA H -17.940 10.224 -6.794 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 427 . 1 1 25 ARG HB2 H -19.225 7.525 -7.233 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 428 . 1 1 25 ARG HB3 H -18.368 7.952 -5.758 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 429 . 1 1 25 ARG HD2 H -18.869 9.786 -4.588 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 430 . 1 1 25 ARG HD3 H -20.287 10.780 -4.911 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 431 . 1 1 25 ARG HE H -21.278 8.499 -3.773 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 432 . 1 1 25 ARG HG2 H -20.628 9.626 -6.776 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 433 . 1 1 25 ARG HG3 H -20.917 8.186 -5.800 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 434 . 1 1 25 ARG HH11 H -18.990 10.980 -2.844 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 435 . 1 1 25 ARG HH12 H -19.289 10.790 -1.144 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 436 . 1 1 25 ARG HH21 H -21.688 8.277 -1.530 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 437 . 1 1 25 ARG HH22 H -20.793 9.249 -0.404 . . . 1.0 . . . . . . . . . . . . A . 41 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 438 . 1 1 25 ARG N N -18.731 9.687 -8.624 . . . 1.0 . . . . . . . . . . . . A . 41 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 439 . 1 1 25 ARG NE N -20.603 9.196 -3.605 . . . 1.0 . . . . . . . . . . . . A . 41 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 440 . 1 1 25 ARG NH1 N -19.471 10.518 -2.095 . . . 1.0 . . . . . . . . . . . . A . 41 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 441 . 1 1 25 ARG NH2 N -21.000 8.983 -1.351 . . . 1.0 . . . . . . . . . . . . A . 41 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 442 . 1 1 25 ARG O O -15.743 8.987 -6.969 . . . 1.0 . . . . . . . . . . . . A . 41 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 443 . 1 1 26 LEU C C -14.400 8.254 -9.545 . . . 1.0 . . . . . . . . . . . . A . 42 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 444 . 1 1 26 LEU CA C -15.439 7.230 -9.103 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 445 . 1 1 26 LEU CB C -15.713 6.233 -10.234 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 446 . 1 1 26 LEU CD1 C -16.848 4.161 -11.073 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 447 . 1 1 26 LEU CD2 C -15.949 4.232 -8.736 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 448 . 1 1 26 LEU CG C -16.593 5.038 -9.856 . . . 1.0 . . . . . . . . . . . . A . 42 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 449 . 1 1 26 LEU H H -17.491 7.724 -9.218 . . . 1.0 . . . . . . . . . . . . A . 42 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 450 . 1 1 26 LEU HA H -15.057 6.696 -8.246 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 451 . 1 1 26 LEU HB2 H -16.191 6.765 -11.043 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 452 . 1 1 26 LEU HB3 H -14.769 5.854 -10.587 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 453 . 1 1 26 LEU HD11 H -17.388 4.726 -11.818 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 454 . 1 1 26 LEU HD12 H -17.434 3.301 -10.781 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 455 . 1 1 26 LEU HD13 H -15.907 3.832 -11.483 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 456 . 1 1 26 LEU HD21 H -15.954 4.813 -7.826 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 457 . 1 1 26 LEU HD22 H -14.931 3.995 -9.005 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 458 . 1 1 26 LEU HD23 H -16.503 3.318 -8.584 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 459 . 1 1 26 LEU HG H -17.546 5.400 -9.502 . . . 1.0 . . . . . . . . . . . . A . 42 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 460 . 1 1 26 LEU N N -16.671 7.891 -8.704 . . . 1.0 . . . . . . . . . . . . A . 42 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 461 . 1 1 26 LEU O O -13.209 8.090 -9.289 . . . 1.0 . . . . . . . . . . . . A . 42 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 462 . 1 1 27 ALA C C -13.316 11.079 -9.473 . . . 1.0 . . . . . . . . . . . . A . 43 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 463 . 1 1 27 ALA CA C -13.974 10.377 -10.654 . . . 1.0 . . . . . . . . . . . . A . 43 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 464 . 1 1 27 ALA CB C -14.742 11.377 -11.505 . . . 1.0 . . . . . . . . . . . . A . 43 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 465 . 1 1 27 ALA H H -15.826 9.390 -10.368 . . . 1.0 . . . . . . . . . . . . A . 43 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 466 . 1 1 27 ALA HA H -13.210 9.925 -11.268 . . . 1.0 . . . . . . . . . . . . A . 43 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 467 . 1 1 27 ALA HB1 H -14.064 12.134 -11.871 . . . 1.0 . . . . . . . . . . . . A . 43 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 468 . 1 1 27 ALA HB2 H -15.513 11.842 -10.907 . . . 1.0 . . . . . . . . . . . . A . 43 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 469 . 1 1 27 ALA HB3 H -15.195 10.865 -12.340 . . . 1.0 . . . . . . . . . . . . A . 43 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 470 . 1 1 27 ALA N N -14.861 9.319 -10.190 . . . 1.0 . . . . . . . . . . . . A . 43 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 471 . 1 1 27 ALA O O -12.094 11.218 -9.423 . . . 1.0 . . . . . . . . . . . . A . 43 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 472 . 1 1 28 GLU C C -12.732 11.244 -6.524 . . . 1.0 . . . . . . . . . . . . A . 44 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 473 . 1 1 28 GLU CA C -13.631 12.177 -7.326 . . . 1.0 . . . . . . . . . . . . A . 44 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 474 . 1 1 28 GLU CB C -14.784 12.669 -6.449 . . . 1.0 . . . . . . . . . . . . A . 44 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 475 . 1 1 28 GLU CD C -16.335 14.613 -6.064 . . . 1.0 . . . . . . . . . . . . A . 44 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 476 . 1 1 28 GLU CG C -15.607 13.772 -7.088 . . . 1.0 . . . . . . . . . . . . A . 44 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 477 . 1 1 28 GLU H H -15.101 11.357 -8.610 . . . 1.0 . . . . . . . . . . . . A . 44 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 478 . 1 1 28 GLU HA H -13.049 13.027 -7.651 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 479 . 1 1 28 GLU HB2 H -15.441 11.838 -6.238 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 480 . 1 1 28 GLU HB3 H -14.380 13.042 -5.519 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 481 . 1 1 28 GLU HG2 H -14.950 14.411 -7.659 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 482 . 1 1 28 GLU HG3 H -16.335 13.324 -7.748 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 483 . 1 1 28 GLU N N -14.136 11.501 -8.513 . . . 1.0 . . . . . . . . . . . . A . 44 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 484 . 1 1 28 GLU O O -11.670 11.646 -6.056 . . . 1.0 . . . . . . . . . . . . A . 44 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 485 . 1 1 28 GLU OE1 O -16.971 14.040 -5.156 . . . 1.0 . . . . . . . . . . . . A . 44 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 486 . 1 1 28 GLU OE2 O -16.276 15.856 -6.155 . . . 1.0 . . . . . . . . . . . . A . 44 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 487 . 1 1 29 LEU C C -11.046 8.765 -6.307 . . . 1.0 . . . . . . . . . . . . A . 45 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 488 . 1 1 29 LEU CA C -12.401 8.998 -5.651 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 489 . 1 1 29 LEU CB C -13.175 7.683 -5.573 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 490 . 1 1 29 LEU CD1 C -12.446 6.964 -3.282 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 491 . 1 1 29 LEU CD2 C -13.231 5.263 -4.933 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 492 . 1 1 29 LEU CG C -12.500 6.583 -4.753 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 493 . 1 1 29 LEU H H -14.025 9.737 -6.784 . . . 1.0 . . . . . . . . . . . . A . 45 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 494 . 1 1 29 LEU HA H -12.242 9.373 -4.651 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 495 . 1 1 29 LEU HB2 H -14.144 7.888 -5.139 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 496 . 1 1 29 LEU HB3 H -13.321 7.317 -6.577 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 497 . 1 1 29 LEU HD11 H -11.979 6.168 -2.721 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 498 . 1 1 29 LEU HD12 H -13.448 7.125 -2.913 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 499 . 1 1 29 LEU HD13 H -11.870 7.871 -3.165 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 500 . 1 1 29 LEU HD21 H -14.256 5.374 -4.610 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 501 . 1 1 29 LEU HD22 H -12.747 4.500 -4.341 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 502 . 1 1 29 LEU HD23 H -13.209 4.979 -5.973 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 503 . 1 1 29 LEU HG H -11.485 6.455 -5.102 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 504 . 1 1 29 LEU N N -13.162 9.994 -6.386 . . . 1.0 . . . . . . . . . . . . A . 45 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 505 . 1 1 29 LEU O O -10.024 8.693 -5.629 . . . 1.0 . . . . . . . . . . . . A . 45 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 506 . 1 1 30 HIS C C -8.856 9.605 -8.144 . . . 1.0 . . . . . . . . . . . . A . 46 HIS C . . . . . . . . . rr_2fyl 1 . 1 . 507 . 1 1 30 HIS CA C -9.801 8.434 -8.370 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CA . . . . . . . . . rr_2fyl 1 . 1 . 508 . 1 1 30 HIS CB C -10.073 8.262 -9.868 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CB . . . . . . . . . rr_2fyl 1 . 1 . 509 . 1 1 30 HIS CD2 C -8.675 6.364 -10.963 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CD2 . . . . . . . . . rr_2fyl 1 . 1 . 510 . 1 1 30 HIS CE1 C -7.011 7.579 -11.694 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CE1 . . . . . . . . . rr_2fyl 1 . 1 . 511 . 1 1 30 HIS CG C -8.926 7.648 -10.615 . . . 1.0 . . . . . . . . . . . . A . 46 HIS CG . . . . . . . . . rr_2fyl 1 . 1 . 512 . 1 1 30 HIS H H -11.890 8.710 -8.125 . . . 1.0 . . . . . . . . . . . . A . 46 HIS H . . . . . . . . . rr_2fyl 1 . 1 . 513 . 1 1 30 HIS HA H -9.341 7.535 -7.990 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HA . . . . . . . . . rr_2fyl 1 . 1 . 514 . 1 1 30 HIS HB2 H -10.937 7.630 -10.003 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 515 . 1 1 30 HIS HB3 H -10.271 9.232 -10.301 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 516 . 1 1 30 HIS HD1 H -7.757 9.356 -11.016 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HD1 . . . . . . . . . rr_2fyl 1 . 1 . 517 . 1 1 30 HIS HD2 H -9.300 5.508 -10.751 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 518 . 1 1 30 HIS HE1 H -6.082 7.880 -12.152 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HE1 . . . . . . . . . rr_2fyl 1 . 1 . 519 . 1 1 30 HIS HE2 H -7.162 5.611 -12.204 . . . 1.0 . . . . . . . . . . . . A . 46 HIS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 520 . 1 1 30 HIS N N -11.040 8.650 -7.633 . . . 1.0 . . . . . . . . . . . . A . 46 HIS N . . . . . . . . . rr_2fyl 1 . 1 . 521 . 1 1 30 HIS ND1 N -7.865 8.382 -11.091 . . . 1.0 . . . . . . . . . . . . A . 46 HIS ND1 . . . . . . . . . rr_2fyl 1 . 1 . 522 . 1 1 30 HIS NE2 N -7.476 6.347 -11.633 . . . 1.0 . . . . . . . . . . . . A . 46 HIS NE2 . . . . . . . . . rr_2fyl 1 . 1 . 523 . 1 1 30 HIS O O -7.648 9.423 -8.000 . . . 1.0 . . . . . . . . . . . . A . 46 HIS O . . . . . . . . . rr_2fyl 1 . 1 . 524 . 1 1 31 ALA C C -8.070 12.000 -6.470 . . . 1.0 . . . . . . . . . . . . A . 47 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 525 . 1 1 31 ALA CA C -8.637 12.008 -7.882 . . . 1.0 . . . . . . . . . . . . A . 47 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 526 . 1 1 31 ALA CB C -9.489 13.247 -8.108 . . . 1.0 . . . . . . . . . . . . A . 47 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 527 . 1 1 31 ALA H H -10.390 10.882 -8.254 . . . 1.0 . . . . . . . . . . . . A . 47 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 528 . 1 1 31 ALA HA H -7.823 12.020 -8.591 . . . 1.0 . . . . . . . . . . . . A . 47 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 529 . 1 1 31 ALA HB1 H -10.293 13.268 -7.388 . . . 1.0 . . . . . . . . . . . . A . 47 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 530 . 1 1 31 ALA HB2 H -9.900 13.223 -9.107 . . . 1.0 . . . . . . . . . . . . A . 47 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 531 . 1 1 31 ALA HB3 H -8.877 14.127 -7.990 . . . 1.0 . . . . . . . . . . . . A . 47 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 532 . 1 1 31 ALA N N -9.419 10.805 -8.112 . . . 1.0 . . . . . . . . . . . . A . 47 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 533 . 1 1 31 ALA O O -6.885 12.261 -6.264 . . . 1.0 . . . . . . . . . . . . A . 47 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 534 . 1 1 32 ASP C C -7.432 10.567 -3.903 . . . 1.0 . . . . . . . . . . . . A . 48 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 535 . 1 1 32 ASP CA C -8.523 11.612 -4.103 . . . 1.0 . . . . . . . . . . . . A . 48 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 536 . 1 1 32 ASP CB C -9.723 11.286 -3.206 . . . 1.0 . . . . . . . . . . . . A . 48 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 537 . 1 1 32 ASP CG C -10.560 12.509 -2.882 . . . 1.0 . . . . . . . . . . . . A . 48 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 538 . 1 1 32 ASP H H -9.860 11.481 -5.742 . . . 1.0 . . . . . . . . . . . . A . 48 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 539 . 1 1 32 ASP HA H -8.132 12.581 -3.827 . . . 1.0 . . . . . . . . . . . . A . 48 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 540 . 1 1 32 ASP HB2 H -10.352 10.567 -3.706 . . . 1.0 . . . . . . . . . . . . A . 48 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 541 . 1 1 32 ASP HB3 H -9.365 10.862 -2.279 . . . 1.0 . . . . . . . . . . . . A . 48 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 542 . 1 1 32 ASP N N -8.924 11.675 -5.505 . . . 1.0 . . . . . . . . . . . . A . 48 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 543 . 1 1 32 ASP O O -6.476 10.786 -3.155 . . . 1.0 . . . . . . . . . . . . A . 48 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 544 . 1 1 32 ASP OD1 O -9.983 13.534 -2.460 . . . 1.0 . . . . . . . . . . . . A . 48 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 545 . 1 1 32 ASP OD2 O -11.798 12.451 -3.040 . . . 1.0 . . . . . . . . . . . . A . 48 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 546 . 1 1 33 LEU C C -5.252 8.803 -5.014 . . . 1.0 . . . . . . . . . . . . A . 49 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 547 . 1 1 33 LEU CA C -6.614 8.347 -4.510 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 548 . 1 1 33 LEU CB C -7.094 7.140 -5.324 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 549 . 1 1 33 LEU CD1 C -8.731 5.267 -5.648 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 550 . 1 1 33 LEU CD2 C -7.776 5.699 -3.383 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 551 . 1 1 33 LEU CG C -8.231 6.334 -4.688 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 552 . 1 1 33 LEU H H -8.379 9.325 -5.151 . . . 1.0 . . . . . . . . . . . . A . 49 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 553 . 1 1 33 LEU HA H -6.521 8.059 -3.473 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 554 . 1 1 33 LEU HB2 H -7.428 7.496 -6.289 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 555 . 1 1 33 LEU HB3 H -6.255 6.478 -5.476 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 556 . 1 1 33 LEU HD11 H -9.122 5.739 -6.537 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 557 . 1 1 33 LEU HD12 H -9.512 4.692 -5.172 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 558 . 1 1 33 LEU HD13 H -7.915 4.613 -5.919 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 559 . 1 1 33 LEU HD21 H -7.540 6.474 -2.668 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 560 . 1 1 33 LEU HD22 H -6.900 5.094 -3.561 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 561 . 1 1 33 LEU HD23 H -8.569 5.079 -2.993 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 562 . 1 1 33 LEU HG H -9.056 6.996 -4.469 . . . 1.0 . . . . . . . . . . . . A . 49 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 563 . 1 1 33 LEU N N -7.582 9.435 -4.587 . . . 1.0 . . . . . . . . . . . . A . 49 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 564 . 1 1 33 LEU O O -4.224 8.436 -4.452 . . . 1.0 . . . . . . . . . . . . A . 49 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 565 . 1 1 34 LYS C C -3.272 11.001 -5.632 . . . 1.0 . . . . . . . . . . . . A . 50 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 566 . 1 1 34 LYS CA C -4.011 10.129 -6.642 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 567 . 1 1 34 LYS CB C -4.296 10.935 -7.911 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 568 . 1 1 34 LYS CD C -3.435 9.218 -9.555 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 569 . 1 1 34 LYS CE C -2.195 10.054 -9.841 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 570 . 1 1 34 LYS CG C -4.618 10.079 -9.128 . . . 1.0 . . . . . . . . . . . . A . 50 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 571 . 1 1 34 LYS H H -6.110 9.876 -6.470 . . . 1.0 . . . . . . . . . . . . A . 50 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 572 . 1 1 34 LYS HA H -3.386 9.285 -6.893 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 573 . 1 1 34 LYS HB2 H -5.139 11.586 -7.724 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 574 . 1 1 34 LYS HB3 H -3.433 11.541 -8.141 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 575 . 1 1 34 LYS HD2 H -3.207 8.517 -8.767 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 576 . 1 1 34 LYS HD3 H -3.704 8.676 -10.452 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 577 . 1 1 34 LYS HE2 H -2.434 10.782 -10.602 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 578 . 1 1 34 LYS HE3 H -1.902 10.562 -8.935 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 579 . 1 1 34 LYS HG2 H -5.449 9.432 -8.886 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 580 . 1 1 34 LYS HG3 H -4.893 10.726 -9.945 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 581 . 1 1 34 LYS HZ1 H -0.185 9.771 -10.307 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 582 . 1 1 34 LYS HZ2 H -1.242 8.879 -11.277 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 583 . 1 1 34 LYS HZ3 H -0.937 8.389 -9.679 . . . 1.0 . . . . . . . . . . . . A . 50 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 584 . 1 1 34 LYS N N -5.252 9.615 -6.068 . . . 1.0 . . . . . . . . . . . . A . 50 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 585 . 1 1 34 LYS NZ N -1.063 9.217 -10.312 . . . 1.0 . . . . . . . . . . . . A . 50 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 586 . 1 1 34 LYS O O -2.040 11.016 -5.588 . . . 1.0 . . . . . . . . . . . . A . 50 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 587 . 1 1 35 ILE C C -2.776 11.742 -2.724 . . . 1.0 . . . . . . . . . . . . A . 51 ILE C . . . . . . . . . rr_2fyl 1 . 1 . 588 . 1 1 35 ILE CA C -3.459 12.584 -3.796 . . . 1.0 . . . . . . . . . . . . A . 51 ILE CA . . . . . . . . . rr_2fyl 1 . 1 . 589 . 1 1 35 ILE CB C -4.527 13.488 -3.134 . . . 1.0 . . . . . . . . . . . . A . 51 ILE CB . . . . . . . . . rr_2fyl 1 . 1 . 590 . 1 1 35 ILE CD1 C -4.636 15.052 -5.149 . . . 1.0 . . . . . . . . . . . . A . 51 ILE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 591 . 1 1 35 ILE CG1 C -5.405 14.159 -4.198 . . . 1.0 . . . . . . . . . . . . A . 51 ILE CG1 . . . . . . . . . rr_2fyl 1 . 1 . 592 . 1 1 35 ILE CG2 C -3.865 14.546 -2.256 . . . 1.0 . . . . . . . . . . . . A . 51 ILE CG2 . . . . . . . . . rr_2fyl 1 . 1 . 593 . 1 1 35 ILE H H -5.011 11.654 -4.899 . . . 1.0 . . . . . . . . . . . . A . 51 ILE H . . . . . . . . . rr_2fyl 1 . 1 . 594 . 1 1 35 ILE HA H -2.719 13.215 -4.270 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HA . . . . . . . . . rr_2fyl 1 . 1 . 595 . 1 1 35 ILE HB H -5.149 12.870 -2.502 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HB . . . . . . . . . rr_2fyl 1 . 1 . 596 . 1 1 35 ILE HD11 H -5.309 15.447 -5.896 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HD11 . . . . . . . . . rr_2fyl 1 . 1 . 597 . 1 1 35 ILE HD12 H -3.858 14.478 -5.631 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HD12 . . . . . . . . . rr_2fyl 1 . 1 . 598 . 1 1 35 ILE HD13 H -4.192 15.866 -4.598 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HD13 . . . . . . . . . rr_2fyl 1 . 1 . 599 . 1 1 35 ILE HG12 H -5.895 13.395 -4.785 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HG12 . . . . . . . . . rr_2fyl 1 . 1 . 600 . 1 1 35 ILE HG13 H -6.154 14.763 -3.708 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HG13 . . . . . . . . . rr_2fyl 1 . 1 . 601 . 1 1 35 ILE HG21 H -4.612 15.014 -1.633 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HG21 . . . . . . . . . rr_2fyl 1 . 1 . 602 . 1 1 35 ILE HG22 H -3.401 15.294 -2.882 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HG22 . . . . . . . . . rr_2fyl 1 . 1 . 603 . 1 1 35 ILE HG23 H -3.116 14.080 -1.634 . . . 1.0 . . . . . . . . . . . . A . 51 ILE HG23 . . . . . . . . . rr_2fyl 1 . 1 . 604 . 1 1 35 ILE N N -4.035 11.716 -4.814 . . . 1.0 . . . . . . . . . . . . A . 51 ILE N . . . . . . . . . rr_2fyl 1 . 1 . 605 . 1 1 35 ILE O O -1.740 12.128 -2.183 . . . 1.0 . . . . . . . . . . . . A . 51 ILE O . . . . . . . . . rr_2fyl 1 . 1 . 606 . 1 1 36 GLN C C -1.636 8.899 -2.017 . . . 1.0 . . . . . . . . . . . . A . 52 GLN C . . . . . . . . . rr_2fyl 1 . 1 . 607 . 1 1 36 GLN CA C -2.810 9.676 -1.432 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CA . . . . . . . . . rr_2fyl 1 . 1 . 608 . 1 1 36 GLN CB C -3.888 8.705 -0.937 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CB . . . . . . . . . rr_2fyl 1 . 1 . 609 . 1 1 36 GLN CD C -3.630 6.220 -0.529 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CD . . . . . . . . . rr_2fyl 1 . 1 . 610 . 1 1 36 GLN CG C -3.360 7.619 -0.006 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CG . . . . . . . . . rr_2fyl 1 . 1 . 611 . 1 1 36 GLN H H -4.188 10.339 -2.896 . . . 1.0 . . . . . . . . . . . . A . 52 GLN H . . . . . . . . . rr_2fyl 1 . 1 . 612 . 1 1 36 GLN HA H -2.456 10.267 -0.601 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HA . . . . . . . . . rr_2fyl 1 . 1 . 613 . 1 1 36 GLN HB2 H -4.645 9.267 -0.407 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 614 . 1 1 36 GLN HB3 H -4.341 8.225 -1.792 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 615 . 1 1 36 GLN HE21 H -1.932 5.569 0.265 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HE21 . . . . . . . . . rr_2fyl 1 . 1 . 616 . 1 1 36 GLN HE22 H -2.868 4.391 -0.582 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HE22 . . . . . . . . . rr_2fyl 1 . 1 . 617 . 1 1 36 GLN HG2 H -2.292 7.746 0.107 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HG2 . . . . . . . . . rr_2fyl 1 . 1 . 618 . 1 1 36 GLN HG3 H -3.837 7.726 0.957 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HG3 . . . . . . . . . rr_2fyl 1 . 1 . 619 . 1 1 36 GLN N N -3.362 10.587 -2.428 . . . 1.0 . . . . . . . . . . . . A . 52 GLN N . . . . . . . . . rr_2fyl 1 . 1 . 620 . 1 1 36 GLN NE2 N -2.720 5.301 -0.253 . . . 1.0 . . . . . . . . . . . . A . 52 GLN NE2 . . . . . . . . . rr_2fyl 1 . 1 . 621 . 1 1 36 GLN O O -0.621 8.704 -1.350 . . . 1.0 . . . . . . . . . . . . A . 52 GLN O . . . . . . . . . rr_2fyl 1 . 1 . 622 . 1 1 36 GLN OE1 O -4.641 5.974 -1.186 . . . 1.0 . . . . . . . . . . . . A . 52 GLN OE1 . . . . . . . . . rr_2fyl 1 . 1 . 623 . 1 1 37 GLU C C 0.582 8.425 -3.921 . . . 1.0 . . . . . . . . . . . . A . 53 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 624 . 1 1 37 GLU CA C -0.766 7.713 -3.976 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 625 . 1 1 37 GLU CB C -1.193 7.513 -5.433 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 626 . 1 1 37 GLU CD C -0.172 7.771 -7.721 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 627 . 1 1 37 GLU CG C -0.066 7.099 -6.369 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 628 . 1 1 37 GLU H H -2.643 8.650 -3.724 . . . 1.0 . . . . . . . . . . . . A . 53 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 629 . 1 1 37 GLU HA H -0.672 6.747 -3.501 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 630 . 1 1 37 GLU HB2 H -1.955 6.750 -5.470 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 631 . 1 1 37 GLU HB3 H -1.610 8.441 -5.799 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 632 . 1 1 37 GLU HG2 H 0.877 7.373 -5.921 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 633 . 1 1 37 GLU HG3 H -0.102 6.028 -6.508 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 634 . 1 1 37 GLU N N -1.794 8.466 -3.265 . . . 1.0 . . . . . . . . . . . . A . 53 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 635 . 1 1 37 GLU O O 1.552 7.907 -3.362 . . . 1.0 . . . . . . . . . . . . A . 53 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 636 . 1 1 37 GLU OE1 O 0.313 8.911 -7.866 . . . 1.0 . . . . . . . . . . . . A . 53 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 637 . 1 1 37 GLU OE2 O -0.754 7.169 -8.645 . . . 1.0 . . . . . . . . . . . . A . 53 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 638 . 1 1 38 ARG C C 2.329 10.744 -3.114 . . . 1.0 . . . . . . . . . . . . A . 54 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 639 . 1 1 38 ARG CA C 1.843 10.418 -4.521 . . . 1.0 . . . . . . . . . . . . A . 54 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 640 . 1 1 38 ARG CB C 1.605 11.708 -5.306 . . . 1.0 . . . . . . . . . . . . A . 54 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 641 . 1 1 38 ARG CD C 2.446 13.969 -5.990 . . . 1.0 . . . . . . . . . . . . A . 54 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 642 . 1 1 38 ARG CG C 2.808 12.636 -5.355 . . . 1.0 . . . . . . . . . . . . A . 54 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 643 . 1 1 38 ARG CZ C 0.108 14.759 -6.182 . . . 1.0 . . . . . . . . . . . . A . 54 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 644 . 1 1 38 ARG H H -0.193 9.982 -4.902 . . . 1.0 . . . . . . . . . . . . A . 54 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 645 . 1 1 38 ARG HA H 2.600 9.836 -5.026 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 646 . 1 1 38 ARG HB2 H 1.336 11.453 -6.319 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 647 . 1 1 38 ARG HB3 H 0.786 12.244 -4.851 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 648 . 1 1 38 ARG HD2 H 3.242 14.672 -5.798 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 649 . 1 1 38 ARG HD3 H 2.339 13.826 -7.057 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 650 . 1 1 38 ARG HE H 1.163 14.692 -4.482 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 651 . 1 1 38 ARG HG2 H 3.158 12.811 -4.351 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 652 . 1 1 38 ARG HG3 H 3.589 12.167 -5.937 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 653 . 1 1 38 ARG HH11 H 0.949 14.194 -7.937 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 654 . 1 1 38 ARG HH12 H -0.692 14.739 -8.048 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 655 . 1 1 38 ARG HH21 H -1.006 15.390 -4.606 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 656 . 1 1 38 ARG HH22 H -1.815 15.409 -6.144 . . . 1.0 . . . . . . . . . . . . A . 54 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 657 . 1 1 38 ARG N N 0.623 9.624 -4.486 . . . 1.0 . . . . . . . . . . . . A . 54 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 658 . 1 1 38 ARG NE N 1.195 14.509 -5.451 . . . 1.0 . . . . . . . . . . . . A . 54 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 659 . 1 1 38 ARG NH1 N 0.123 14.544 -7.493 . . . 1.0 . . . . . . . . . . . . A . 54 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 660 . 1 1 38 ARG NH2 N -0.993 15.224 -5.598 . . . 1.0 . . . . . . . . . . . . A . 54 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 661 . 1 1 38 ARG O O 3.530 10.768 -2.855 . . . 1.0 . . . . . . . . . . . . A . 54 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 662 . 1 1 39 ASP C C 2.459 10.157 -0.140 . . . 1.0 . . . . . . . . . . . . A . 55 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 663 . 1 1 39 ASP CA C 1.729 11.305 -0.823 . . . 1.0 . . . . . . . . . . . . A . 55 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 664 . 1 1 39 ASP CB C 0.475 11.671 -0.026 . . . 1.0 . . . . . . . . . . . . A . 55 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 665 . 1 1 39 ASP CG C 0.348 13.166 0.203 . . . 1.0 . . . . . . . . . . . . A . 55 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 666 . 1 1 39 ASP H H 0.448 10.914 -2.464 . . . 1.0 . . . . . . . . . . . . A . 55 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 667 . 1 1 39 ASP HA H 2.385 12.161 -0.845 . . . 1.0 . . . . . . . . . . . . A . 55 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 668 . 1 1 39 ASP HB2 H -0.397 11.330 -0.565 . . . 1.0 . . . . . . . . . . . . A . 55 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 669 . 1 1 39 ASP HB3 H 0.513 11.179 0.935 . . . 1.0 . . . . . . . . . . . . A . 55 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 670 . 1 1 39 ASP N N 1.390 10.973 -2.204 . . . 1.0 . . . . . . . . . . . . A . 55 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 671 . 1 1 39 ASP O O 3.499 10.364 0.480 . . . 1.0 . . . . . . . . . . . . A . 55 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 672 . 1 1 39 ASP OD1 O 1.025 13.948 -0.505 . . . 1.0 . . . . . . . . . . . . A . 55 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 673 . 1 1 39 ASP OD2 O -0.437 13.572 1.088 . . . 1.0 . . . . . . . . . . . . A . 55 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 674 . 1 1 40 GLU C C 3.912 7.511 -0.272 . . . 1.0 . . . . . . . . . . . . A . 56 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 675 . 1 1 40 GLU CA C 2.541 7.773 0.343 . . . 1.0 . . . . . . . . . . . . A . 56 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 676 . 1 1 40 GLU CB C 1.655 6.538 0.177 . . . 1.0 . . . . . . . . . . . . A . 56 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 677 . 1 1 40 GLU CD C 1.594 4.075 0.779 . . . 1.0 . . . . . . . . . . . . A . 56 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 678 . 1 1 40 GLU CG C 1.887 5.486 1.254 . . . 1.0 . . . . . . . . . . . . A . 56 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 679 . 1 1 40 GLU H H 1.096 8.838 -0.790 . . . 1.0 . . . . . . . . . . . . A . 56 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 680 . 1 1 40 GLU HA H 2.666 7.979 1.397 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 681 . 1 1 40 GLU HB2 H 0.620 6.844 0.214 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 682 . 1 1 40 GLU HB3 H 1.857 6.091 -0.785 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 683 . 1 1 40 GLU HG2 H 2.919 5.534 1.568 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 684 . 1 1 40 GLU HG3 H 1.247 5.704 2.095 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 685 . 1 1 40 GLU N N 1.924 8.946 -0.270 . . . 1.0 . . . . . . . . . . . . A . 56 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 686 . 1 1 40 GLU O O 4.870 7.193 0.434 . . . 1.0 . . . . . . . . . . . . A . 56 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 687 . 1 1 40 GLU OE1 O 0.403 3.691 0.736 . . . 1.0 . . . . . . . . . . . . A . 56 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 688 . 1 1 40 GLU OE2 O 2.547 3.351 0.431 . . . 1.0 . . . . . . . . . . . . A . 56 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 689 . 1 1 41 LEU C C 6.291 8.457 -1.850 . . . 1.0 . . . . . . . . . . . . A . 57 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 690 . 1 1 41 LEU CA C 5.246 7.444 -2.307 . . . 1.0 . . . . . . . . . . . . A . 57 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 691 . 1 1 41 LEU CB C 5.024 7.550 -3.819 . . . 1.0 . . . . . . . . . . . . A . 57 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 692 . 1 1 41 LEU CD1 C 3.731 6.768 -5.824 . . . 1.0 . . . . . . . . . . . . A . 57 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 693 . 1 1 41 LEU CD2 C 5.128 5.148 -4.530 . . . 1.0 . . . . . . . . . . . . A . 57 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 694 . 1 1 41 LEU CG C 4.250 6.387 -4.446 . . . 1.0 . . . . . . . . . . . . A . 57 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 695 . 1 1 41 LEU H H 3.188 7.905 -2.098 . . . 1.0 . . . . . . . . . . . . A . 57 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 696 . 1 1 41 LEU HA H 5.600 6.452 -2.072 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 697 . 1 1 41 LEU HB2 H 4.483 8.464 -4.018 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 698 . 1 1 41 LEU HB3 H 5.988 7.612 -4.300 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 699 . 1 1 41 LEU HD11 H 3.138 7.667 -5.749 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 700 . 1 1 41 LEU HD12 H 3.121 5.966 -6.212 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 701 . 1 1 41 LEU HD13 H 4.563 6.941 -6.489 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 702 . 1 1 41 LEU HD21 H 6.021 5.376 -5.094 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 703 . 1 1 41 LEU HD22 H 4.586 4.353 -5.022 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 704 . 1 1 41 LEU HD23 H 5.404 4.834 -3.535 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 705 . 1 1 41 LEU HG H 3.400 6.153 -3.824 . . . 1.0 . . . . . . . . . . . . A . 57 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 706 . 1 1 41 LEU N N 3.994 7.655 -1.591 . . . 1.0 . . . . . . . . . . . . A . 57 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 707 . 1 1 41 LEU O O 7.456 8.116 -1.642 . . . 1.0 . . . . . . . . . . . . A . 57 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 708 . 1 1 42 ALA C C 7.170 10.517 0.210 . . . 1.0 . . . . . . . . . . . . A . 58 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 709 . 1 1 42 ALA CA C 6.757 10.760 -1.237 . . . 1.0 . . . . . . . . . . . . A . 58 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 710 . 1 1 42 ALA CB C 6.088 12.120 -1.381 . . . 1.0 . . . . . . . . . . . . A . 58 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 711 . 1 1 42 ALA H H 4.923 9.918 -1.882 . . . 1.0 . . . . . . . . . . . . A . 58 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 712 . 1 1 42 ALA HA H 7.638 10.744 -1.861 . . . 1.0 . . . . . . . . . . . . A . 58 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 713 . 1 1 42 ALA HB1 H 5.804 12.273 -2.413 . . . 1.0 . . . . . . . . . . . . A . 58 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 714 . 1 1 42 ALA HB2 H 6.778 12.894 -1.080 . . . 1.0 . . . . . . . . . . . . A . 58 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 715 . 1 1 42 ALA HB3 H 5.209 12.155 -0.755 . . . 1.0 . . . . . . . . . . . . A . 58 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 716 . 1 1 42 ALA N N 5.865 9.703 -1.689 . . . 1.0 . . . . . . . . . . . . A . 58 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 717 . 1 1 42 ALA O O 8.345 10.635 0.561 . . . 1.0 . . . . . . . . . . . . A . 58 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 718 . 1 1 43 TRP C C 7.419 8.736 2.628 . . . 1.0 . . . . . . . . . . . . A . 59 TRP C . . . . . . . . . rr_2fyl 1 . 1 . 719 . 1 1 43 TRP CA C 6.429 9.886 2.452 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CA . . . . . . . . . rr_2fyl 1 . 1 . 720 . 1 1 43 TRP CB C 5.104 9.564 3.153 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CB . . . . . . . . . rr_2fyl 1 . 1 . 721 . 1 1 43 TRP CD1 C 5.522 10.192 5.603 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CD1 . . . . . . . . . rr_2fyl 1 . 1 . 722 . 1 1 43 TRP CD2 C 5.116 8.015 5.263 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CD2 . . . . . . . . . rr_2fyl 1 . 1 . 723 . 1 1 43 TRP CE2 C 5.330 8.222 6.638 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CE2 . . . . . . . . . rr_2fyl 1 . 1 . 724 . 1 1 43 TRP CE3 C 4.843 6.718 4.807 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CE3 . . . . . . . . . rr_2fyl 1 . 1 . 725 . 1 1 43 TRP CG C 5.248 9.287 4.618 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CG . . . . . . . . . rr_2fyl 1 . 1 . 726 . 1 1 43 TRP CH2 C 5.008 5.927 7.090 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CH2 . . . . . . . . . rr_2fyl 1 . 1 . 727 . 1 1 43 TRP CZ2 C 5.277 7.182 7.561 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CZ2 . . . . . . . . . rr_2fyl 1 . 1 . 728 . 1 1 43 TRP CZ3 C 4.792 5.689 5.727 . . . 1.0 . . . . . . . . . . . . A . 59 TRP CZ3 . . . . . . . . . rr_2fyl 1 . 1 . 729 . 1 1 43 TRP H H 5.276 10.075 0.687 . . . 1.0 . . . . . . . . . . . . A . 59 TRP H . . . . . . . . . rr_2fyl 1 . 1 . 730 . 1 1 43 TRP HA H 6.851 10.777 2.894 . . . 1.0 . . . . . . . . . . . . A . 59 TRP HA . . . . . . . . . rr_2fyl 1 . 1 . 731 . 1 1 43 TRP HB2 H 4.433 10.403 3.040 . . . 1.0 . . . . . . . . . . . . A . 59 TRP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 732 . 1 1 43 TRP HB3 H 4.660 8.694 2.690 . . . 1.0 . . . . . . . . . . . . A . 59 TRP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 733 . 1 1 43 TRP HD1 H 5.672 11.248 5.434 . . . 1.0 . . . . . . . . . . . . A . 59 TRP HD1 . . . . . . . . . rr_2fyl 1 . 1 . 734 . 1 1 43 TRP HE1 H 5.757 9.997 7.690 . . . 1.0 . . . . . . . . . . . . A . 59 TRP HE1 . . . . . . . . . rr_2fyl 1 . 1 . 735 . 1 1 43 TRP HE3 H 4.672 6.518 3.758 . . . 1.0 . . . . . . . . . . . . A . 59 TRP HE3 . . . . . . . . . rr_2fyl 1 . 1 . 736 . 1 1 43 TRP HH2 H 4.963 5.092 7.773 . . . 1.0 . . . . . . . . . . . . A . 59 TRP HH2 . . . . . . . . . rr_2fyl 1 . 1 . 737 . 1 1 43 TRP HZ2 H 5.441 7.345 8.615 . . . 1.0 . . . . . . . . . . . . A . 59 TRP HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 738 . 1 1 43 TRP HZ3 H 4.585 4.682 5.396 . . . 1.0 . . . . . . . . . . . . A . 59 TRP HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 739 . 1 1 43 TRP N N 6.193 10.157 1.039 . . . 1.0 . . . . . . . . . . . . A . 59 TRP N . . . . . . . . . rr_2fyl 1 . 1 . 740 . 1 1 43 TRP NE1 N 5.573 9.560 6.823 . . . 1.0 . . . . . . . . . . . . A . 59 TRP NE1 . . . . . . . . . rr_2fyl 1 . 1 . 741 . 1 1 43 TRP O O 8.234 8.745 3.550 . . . 1.0 . . . . . . . . . . . . A . 59 TRP O . . . . . . . . . rr_2fyl 1 . 1 . 742 . 1 1 44 LYS C C 9.700 7.069 1.666 . . . 1.0 . . . . . . . . . . . . A . 60 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 743 . 1 1 44 LYS CA C 8.253 6.611 1.790 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 744 . 1 1 44 LYS CB C 7.923 5.612 0.677 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 745 . 1 1 44 LYS CD C 7.027 3.800 2.184 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 746 . 1 1 44 LYS CE C 5.595 3.996 1.702 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 747 . 1 1 44 LYS CG C 8.046 4.161 1.112 . . . 1.0 . . . . . . . . . . . . A . 60 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 748 . 1 1 44 LYS H H 6.676 7.802 1.022 . . . 1.0 . . . . . . . . . . . . A . 60 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 749 . 1 1 44 LYS HA H 8.121 6.131 2.747 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 750 . 1 1 44 LYS HB2 H 6.912 5.781 0.341 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 751 . 1 1 44 LYS HB3 H 8.598 5.776 -0.150 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 752 . 1 1 44 LYS HD2 H 7.162 2.762 2.454 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 753 . 1 1 44 LYS HD3 H 7.196 4.422 3.049 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 754 . 1 1 44 LYS HE2 H 4.922 3.787 2.521 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 755 . 1 1 44 LYS HE3 H 5.468 5.020 1.390 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 756 . 1 1 44 LYS HG2 H 7.890 3.525 0.253 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 757 . 1 1 44 LYS HG3 H 9.040 3.998 1.505 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 758 . 1 1 44 LYS HZ1 H 5.820 3.345 -0.282 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 759 . 1 1 44 LYS HZ2 H 4.244 3.186 0.331 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 760 . 1 1 44 LYS HZ3 H 5.457 2.104 0.825 . . . 1.0 . . . . . . . . . . . . A . 60 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 761 . 1 1 44 LYS N N 7.353 7.757 1.733 . . . 1.0 . . . . . . . . . . . . A . 60 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 762 . 1 1 44 LYS NZ N 5.257 3.099 0.566 . . . 1.0 . . . . . . . . . . . . A . 60 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 763 . 1 1 44 LYS O O 10.551 6.718 2.487 . . . 1.0 . . . . . . . . . . . . A . 60 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 764 . 1 1 45 LYS C C 11.689 9.333 1.575 . . . 1.0 . . . . . . . . . . . . A . 61 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 765 . 1 1 45 LYS CA C 11.305 8.403 0.427 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 766 . 1 1 45 LYS CB C 11.373 9.152 -0.907 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 767 . 1 1 45 LYS CD C 13.264 10.521 -1.850 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 768 . 1 1 45 LYS CE C 13.674 11.247 -0.579 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 769 . 1 1 45 LYS CG C 12.752 9.121 -1.552 . . . 1.0 . . . . . . . . . . . . A . 61 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 770 . 1 1 45 LYS H H 9.241 8.139 0.040 . . . 1.0 . . . . . . . . . . . . A . 61 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 771 . 1 1 45 LYS HA H 11.990 7.569 0.405 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 772 . 1 1 45 LYS HB2 H 10.667 8.706 -1.592 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 773 . 1 1 45 LYS HB3 H 11.099 10.183 -0.741 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 774 . 1 1 45 LYS HD2 H 14.121 10.450 -2.506 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 775 . 1 1 45 LYS HD3 H 12.481 11.083 -2.339 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 776 . 1 1 45 LYS HE2 H 12.788 11.452 0.002 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 777 . 1 1 45 LYS HE3 H 14.334 10.606 -0.011 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 778 . 1 1 45 LYS HG2 H 13.440 8.637 -0.878 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 779 . 1 1 45 LYS HG3 H 12.697 8.563 -2.475 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 780 . 1 1 45 LYS HZ1 H 14.979 12.427 -1.700 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 781 . 1 1 45 LYS HZ2 H 14.963 12.799 -0.048 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 782 . 1 1 45 LYS HZ3 H 13.674 13.281 -1.041 . . . 1.0 . . . . . . . . . . . . A . 61 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 783 . 1 1 45 LYS N N 9.966 7.883 0.651 . . . 1.0 . . . . . . . . . . . . A . 61 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 784 . 1 1 45 LYS NZ N 14.368 12.528 -0.863 . . . 1.0 . . . . . . . . . . . . A . 61 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 785 . 1 1 45 LYS O O 12.836 9.350 2.023 . . . 1.0 . . . . . . . . . . . . A . 61 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 786 . 1 1 46 LEU C C 11.364 10.284 4.393 . . . 1.0 . . . . . . . . . . . . A . 62 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 787 . 1 1 46 LEU CA C 10.900 11.030 3.149 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 788 . 1 1 46 LEU CB C 9.603 11.789 3.442 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 789 . 1 1 46 LEU CD1 C 9.770 13.404 1.525 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 790 . 1 1 46 LEU CD2 C 8.314 13.940 3.485 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 791 . 1 1 46 LEU CG C 9.598 13.264 3.028 . . . 1.0 . . . . . . . . . . . . A . 62 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 792 . 1 1 46 LEU H H 9.820 10.040 1.624 . . . 1.0 . . . . . . . . . . . . A . 62 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 793 . 1 1 46 LEU HA H 11.664 11.737 2.861 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 794 . 1 1 46 LEU HB2 H 8.800 11.290 2.923 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 795 . 1 1 46 LEU HB3 H 9.412 11.735 4.502 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 796 . 1 1 46 LEU HD11 H 10.707 12.959 1.228 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 797 . 1 1 46 LEU HD12 H 9.770 14.451 1.260 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 798 . 1 1 46 LEU HD13 H 8.956 12.903 1.021 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 799 . 1 1 46 LEU HD21 H 8.328 14.975 3.181 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 800 . 1 1 46 LEU HD22 H 8.240 13.882 4.562 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 801 . 1 1 46 LEU HD23 H 7.465 13.444 3.040 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 802 . 1 1 46 LEU HG H 10.426 13.766 3.504 . . . 1.0 . . . . . . . . . . . . A . 62 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 803 . 1 1 46 LEU N N 10.709 10.101 2.041 . . . 1.0 . . . . . . . . . . . . A . 62 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 804 . 1 1 46 LEU O O 12.329 10.684 5.043 . . . 1.0 . . . . . . . . . . . . A . 62 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 805 . 1 1 47 LYS C C 12.413 7.867 5.808 . . . 1.0 . . . . . . . . . . . . A . 63 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 806 . 1 1 47 LYS CA C 10.980 8.398 5.894 . . . 1.0 . . . . . . . . . . . . A . 63 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 807 . 1 1 47 LYS CB C 9.990 7.232 6.020 . . . 1.0 . . . . . . . . . . . . A . 63 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 808 . 1 1 47 LYS CD C 11.003 5.210 7.123 . . . 1.0 . . . . . . . . . . . . A . 63 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 809 . 1 1 47 LYS CE C 11.370 4.570 8.450 . . . 1.0 . . . . . . . . . . . . A . 63 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 810 . 1 1 47 LYS CG C 10.128 6.439 7.312 . . . 1.0 . . . . . . . . . . . . A . 63 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 811 . 1 1 47 LYS H H 9.871 8.972 4.182 . . . 1.0 . . . . . . . . . . . . A . 63 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 812 . 1 1 47 LYS HA H 10.896 9.023 6.770 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 813 . 1 1 47 LYS HB2 H 8.984 7.622 5.968 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 814 . 1 1 47 LYS HB3 H 10.145 6.556 5.191 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 815 . 1 1 47 LYS HD2 H 10.470 4.487 6.524 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 816 . 1 1 47 LYS HD3 H 11.910 5.503 6.612 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 817 . 1 1 47 LYS HE2 H 10.473 4.458 9.039 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 818 . 1 1 47 LYS HE3 H 11.798 3.596 8.261 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 819 . 1 1 47 LYS HG2 H 10.573 7.071 8.067 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 820 . 1 1 47 LYS HG3 H 9.145 6.124 7.637 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 821 . 1 1 47 LYS HZ1 H 12.729 4.838 10.011 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 822 . 1 1 47 LYS HZ2 H 11.893 6.249 9.595 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 823 . 1 1 47 LYS HZ3 H 13.139 5.673 8.600 . . . 1.0 . . . . . . . . . . . . A . 63 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 824 . 1 1 47 LYS N N 10.651 9.216 4.732 . . . 1.0 . . . . . . . . . . . . A . 63 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 825 . 1 1 47 LYS NZ N 12.350 5.387 9.215 . . . 1.0 . . . . . . . . . . . . A . 63 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 826 . 1 1 47 LYS O O 13.141 7.887 6.799 . . . 1.0 . . . . . . . . . . . . A . 63 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 827 . 1 1 48 LEU C C 15.191 7.984 4.605 . . . 1.0 . . . . . . . . . . . . A . 64 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 828 . 1 1 48 LEU CA C 14.165 6.873 4.419 . . . 1.0 . . . . . . . . . . . . A . 64 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 829 . 1 1 48 LEU CB C 14.297 6.264 3.019 . . . 1.0 . . . . . . . . . . . . A . 64 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 830 . 1 1 48 LEU CD1 C 14.733 4.217 1.642 . . . 1.0 . . . . . . . . . . . . A . 64 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 831 . 1 1 48 LEU CD2 C 16.573 5.166 3.043 . . . 1.0 . . . . . . . . . . . . A . 64 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 832 . 1 1 48 LEU CG C 15.066 4.937 2.941 . . . 1.0 . . . . . . . . . . . . A . 64 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 833 . 1 1 48 LEU H H 12.180 7.402 3.871 . . . 1.0 . . . . . . . . . . . . A . 64 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 834 . 1 1 48 LEU HA H 14.342 6.106 5.159 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 835 . 1 1 48 LEU HB2 H 13.303 6.102 2.629 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 836 . 1 1 48 LEU HB3 H 14.799 6.981 2.386 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 837 . 1 1 48 LEU HD11 H 14.940 4.868 0.804 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 838 . 1 1 48 LEU HD12 H 13.688 3.946 1.637 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 839 . 1 1 48 LEU HD13 H 15.336 3.327 1.561 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 840 . 1 1 48 LEU HD21 H 16.932 5.616 2.129 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 841 . 1 1 48 LEU HD22 H 17.077 4.219 3.201 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 842 . 1 1 48 LEU HD23 H 16.780 5.823 3.872 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 843 . 1 1 48 LEU HG H 14.765 4.303 3.764 . . . 1.0 . . . . . . . . . . . . A . 64 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 844 . 1 1 48 LEU N N 12.811 7.400 4.623 . . . 1.0 . . . . . . . . . . . . A . 64 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 845 . 1 1 48 LEU O O 16.279 7.769 5.144 . . . 1.0 . . . . . . . . . . . . A . 64 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 846 . 1 1 49 ASP C C 15.735 10.841 5.716 . . . 1.0 . . . . . . . . . . . . A . 65 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 847 . 1 1 49 ASP CA C 15.695 10.344 4.271 . . . 1.0 . . . . . . . . . . . . A . 65 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 848 . 1 1 49 ASP CB C 15.199 11.466 3.355 . . . 1.0 . . . . . . . . . . . . A . 65 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 849 . 1 1 49 ASP CG C 16.234 11.914 2.340 . . . 1.0 . . . . . . . . . . . . A . 65 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 850 . 1 1 49 ASP H H 13.950 9.277 3.728 . . . 1.0 . . . . . . . . . . . . A . 65 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 851 . 1 1 49 ASP HA H 16.690 10.054 3.969 . . . 1.0 . . . . . . . . . . . . A . 65 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 852 . 1 1 49 ASP HB2 H 14.328 11.122 2.819 . . . 1.0 . . . . . . . . . . . . A . 65 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 853 . 1 1 49 ASP HB3 H 14.926 12.316 3.962 . . . 1.0 . . . . . . . . . . . . A . 65 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 854 . 1 1 49 ASP N N 14.828 9.178 4.157 . . . 1.0 . . . . . . . . . . . . A . 65 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 855 . 1 1 49 ASP O O 16.665 11.536 6.122 . . . 1.0 . . . . . . . . . . . . A . 65 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 856 . 1 1 49 ASP OD1 O 17.217 11.746 3.091 . . . 1.0 . . . . . . . . . . . . A . 65 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 857 . 1 1 49 ASP OD2 O 16.013 12.995 1.757 . . . 1.0 . . . . . . . . . . . . A . 65 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 858 . 1 1 50 GLY C C 13.880 12.181 8.049 . . . 1.0 . . . . . . . . . . . . A . 66 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 859 . 1 1 50 GLY CA C 14.625 10.873 7.872 . . . 1.0 . . . . . . . . . . . . A . 66 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 860 . 1 1 50 GLY H H 14.002 9.921 6.093 . . . 1.0 . . . . . . . . . . . . A . 66 GLY H . . . . . . . . . rr_2fyl 1 . 1 . 861 . 1 1 50 GLY HA2 H 14.112 10.101 8.428 . . . 1.0 . . . . . . . . . . . . A . 66 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 862 . 1 1 50 GLY HA3 H 15.623 10.984 8.268 . . . 1.0 . . . . . . . . . . . . A . 66 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 863 . 1 1 50 GLY N N 14.712 10.474 6.482 . . . 1.0 . . . . . . . . . . . . A . 66 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 864 . 1 1 50 GLY O O 14.166 12.946 8.966 . . . 1.0 . . . . . . . . . . . . A . 66 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 865 . 1 1 51 LEU C C 10.950 13.554 8.187 . . . 1.0 . . . . . . . . . . . . A . 67 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 866 . 1 1 51 LEU CA C 12.144 13.679 7.245 . . . 1.0 . . . . . . . . . . . . A . 67 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 867 . 1 1 51 LEU CB C 11.663 14.092 5.853 . . . 1.0 . . . . . . . . . . . . A . 67 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 868 . 1 1 51 LEU CD1 C 12.457 16.464 6.108 . . . 1.0 . . . . . . . . . . . . A . 67 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 869 . 1 1 51 LEU CD2 C 13.861 14.800 4.877 . . . 1.0 . . . . . . . . . . . . A . 67 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 870 . 1 1 51 LEU CG C 12.443 15.237 5.204 . . . 1.0 . . . . . . . . . . . . A . 67 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 871 . 1 1 51 LEU H H 12.727 11.791 6.460 . . . 1.0 . . . . . . . . . . . . A . 67 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 872 . 1 1 51 LEU HA H 12.798 14.447 7.624 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 873 . 1 1 51 LEU HB2 H 11.723 13.229 5.204 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 874 . 1 1 51 LEU HB3 H 10.627 14.390 5.928 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 875 . 1 1 51 LEU HD11 H 11.475 16.611 6.531 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 876 . 1 1 51 LEU HD12 H 12.733 17.334 5.532 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 877 . 1 1 51 LEU HD13 H 13.173 16.317 6.904 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 878 . 1 1 51 LEU HD21 H 13.832 13.981 4.177 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 879 . 1 1 51 LEU HD22 H 14.358 14.484 5.782 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 880 . 1 1 51 LEU HD23 H 14.400 15.628 4.442 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 881 . 1 1 51 LEU HG H 11.957 15.512 4.279 . . . 1.0 . . . . . . . . . . . . A . 67 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 882 . 1 1 51 LEU N N 12.917 12.441 7.174 . . . 1.0 . . . . . . . . . . . . A . 67 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 883 . 1 1 51 LEU O O 10.556 14.528 8.830 . . . 1.0 . . . . . . . . . . . . A . 67 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 884 . 1 1 52 ASP C C 9.356 10.836 9.883 . . . 1.0 . . . . . . . . . . . . A . 68 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 885 . 1 1 52 ASP CA C 9.216 12.146 9.129 . . . 1.0 . . . . . . . . . . . . A . 68 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 886 . 1 1 52 ASP CB C 7.923 12.141 8.311 . . . 1.0 . . . . . . . . . . . . A . 68 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 887 . 1 1 52 ASP CG C 6.672 12.026 9.171 . . . 1.0 . . . . . . . . . . . . A . 68 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 888 . 1 1 52 ASP H H 10.724 11.623 7.736 . . . 1.0 . . . . . . . . . . . . A . 68 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 889 . 1 1 52 ASP HA H 9.176 12.954 9.844 . . . 1.0 . . . . . . . . . . . . A . 68 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 890 . 1 1 52 ASP HB2 H 7.863 13.057 7.744 . . . 1.0 . . . . . . . . . . . . A . 68 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 891 . 1 1 52 ASP HB3 H 7.947 11.304 7.628 . . . 1.0 . . . . . . . . . . . . A . 68 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 892 . 1 1 52 ASP N N 10.369 12.368 8.263 . . . 1.0 . . . . . . . . . . . . A . 68 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 893 . 1 1 52 ASP O O 9.251 9.758 9.298 . . . 1.0 . . . . . . . . . . . . A . 68 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 894 . 1 1 52 ASP OD1 O 6.188 13.070 9.669 . . . 1.0 . . . . . . . . . . . . A . 68 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 895 . 1 1 52 ASP OD2 O 6.146 10.903 9.320 . . . 1.0 . . . . . . . . . . . . A . 68 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 896 . 1 1 53 GLU C C 8.740 9.782 13.146 . . . 1.0 . . . . . . . . . . . . A . 69 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 897 . 1 1 53 GLU CA C 9.771 9.766 12.026 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 898 . 1 1 53 GLU CB C 11.185 9.714 12.607 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 899 . 1 1 53 GLU CD C 12.464 8.146 11.089 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 900 . 1 1 53 GLU CG C 12.273 9.580 11.550 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 901 . 1 1 53 GLU H H 9.733 11.830 11.570 . . . 1.0 . . . . . . . . . . . . A . 69 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 902 . 1 1 53 GLU HA H 9.609 8.888 11.416 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 903 . 1 1 53 GLU HB2 H 11.362 10.618 13.170 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 904 . 1 1 53 GLU HB3 H 11.255 8.867 13.272 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 905 . 1 1 53 GLU HG2 H 12.004 10.183 10.696 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 906 . 1 1 53 GLU HG3 H 13.205 9.937 11.961 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 907 . 1 1 53 GLU N N 9.620 10.939 11.176 . . . 1.0 . . . . . . . . . . . . A . 69 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 908 . 1 1 53 GLU O O 8.430 8.747 13.732 . . . 1.0 . . . . . . . . . . . . A . 69 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 909 . 1 1 53 GLU OE1 O 11.614 7.269 11.344 . . . 1.0 . . . . . . . . . . . . A . 69 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 910 . 1 1 53 GLU OE2 O 12.170 9.358 10.989 . . . 1.0 . . . . . . . . . . . . A . 69 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 911 . 1 1 54 ASP C C 5.815 10.731 13.967 . . . 1.0 . . . . . . . . . . . . A . 70 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 912 . 1 1 54 ASP CA C 7.197 11.124 14.476 . . . 1.0 . . . . . . . . . . . . A . 70 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 913 . 1 1 54 ASP CB C 7.178 12.570 14.993 . . . 1.0 . . . . . . . . . . . . A . 70 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 914 . 1 1 54 ASP CG C 6.602 13.551 13.988 . . . 1.0 . . . . . . . . . . . . A . 70 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 915 . 1 1 54 ASP H H 8.469 11.748 12.904 . . . 1.0 . . . . . . . . . . . . A . 70 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 916 . 1 1 54 ASP HA H 7.466 10.464 15.290 . . . 1.0 . . . . . . . . . . . . A . 70 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 917 . 1 1 54 ASP HB2 H 6.579 12.616 15.890 . . . 1.0 . . . . . . . . . . . . A . 70 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 918 . 1 1 54 ASP HB3 H 8.189 12.874 15.226 . . . 1.0 . . . . . . . . . . . . A . 70 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 919 . 1 1 54 ASP N N 8.198 10.963 13.425 . . . 1.0 . . . . . . . . . . . . A . 70 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 920 . 1 1 54 ASP O O 4.913 10.429 14.751 . . . 1.0 . . . . . . . . . . . . A . 70 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 921 . 1 1 54 ASP OD1 O 7.193 13.708 12.899 . . . 1.0 . . . . . . . . . . . . A . 70 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 922 . 1 1 54 ASP OD2 O 5.567 14.180 14.290 . . . 1.0 . . . . . . . . . . . . A . 70 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 923 . 1 1 55 GLY C C 3.447 11.532 11.920 . . . 1.0 . . . . . . . . . . . . A . 71 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 924 . 1 1 55 GLY CA C 4.390 10.357 12.051 . . . 1.0 . . . . . . . . . . . . A . 71 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 925 . 1 1 55 GLY H H 6.411 10.977 12.076 . . . 1.0 . . . . . . . . . . . . A . 71 GLY H . . . . . . . . . rr_2fyl 1 . 1 . 926 . 1 1 55 GLY HA2 H 4.571 9.944 11.071 . . . 1.0 . . . . . . . . . . . . A . 71 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 927 . 1 1 55 GLY HA3 H 3.921 9.603 12.665 . . . 1.0 . . . . . . . . . . . . A . 71 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 928 . 1 1 55 GLY N N 5.658 10.726 12.648 . . . 1.0 . . . . . . . . . . . . A . 71 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 929 . 1 1 55 GLY O O 2.245 11.399 12.151 . . . 1.0 . . . . . . . . . . . . A . 71 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 930 . 1 1 56 GLU C C 2.456 13.860 10.036 . . . 1.0 . . . . . . . . . . . . A . 72 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 931 . 1 1 56 GLU CA C 3.167 13.879 11.382 . . . 1.0 . . . . . . . . . . . . A . 72 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 932 . 1 1 56 GLU CB C 4.032 15.139 11.504 . . . 1.0 . . . . . . . . . . . . A . 72 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 933 . 1 1 56 GLU CD C 3.338 17.082 10.045 . . . 1.0 . . . . . . . . . . . . A . 72 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 934 . 1 1 56 GLU CG C 3.248 16.444 11.416 . . . 1.0 . . . . . . . . . . . . A . 72 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 935 . 1 1 56 GLU H H 4.948 12.730 11.362 . . . 1.0 . . . . . . . . . . . . A . 72 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 936 . 1 1 56 GLU HA H 2.428 13.883 12.170 . . . 1.0 . . . . . . . . . . . . A . 72 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 937 . 1 1 56 GLU HB2 H 4.546 15.118 12.454 . . . 1.0 . . . . . . . . . . . . A . 72 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 938 . 1 1 56 GLU HB3 H 4.764 15.132 10.711 . . . 1.0 . . . . . . . . . . . . A . 72 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 939 . 1 1 56 GLU HG2 H 2.211 16.244 11.635 . . . 1.0 . . . . . . . . . . . . A . 72 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 940 . 1 1 56 GLU HG3 H 3.643 17.136 12.145 . . . 1.0 . . . . . . . . . . . . A . 72 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 941 . 1 1 56 GLU N N 3.981 12.683 11.542 . . . 1.0 . . . . . . . . . . . . A . 72 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 942 . 1 1 56 GLU O O 1.258 14.138 9.951 . . . 1.0 . . . . . . . . . . . . A . 72 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 943 . 1 1 56 GLU OE1 O 4.439 17.506 9.646 . . . 1.0 . . . . . . . . . . . . A . 72 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 944 . 1 1 56 GLU OE2 O 2.298 17.166 9.359 . . . 1.0 . . . . . . . . . . . . A . 72 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 945 . 1 1 57 LYS C C 1.516 12.427 7.567 . . . 1.0 . . . . . . . . . . . . A . 73 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 946 . 1 1 57 LYS CA C 2.633 13.463 7.643 . . . 1.0 . . . . . . . . . . . . A . 73 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 947 . 1 1 57 LYS CB C 3.709 13.145 6.600 . . . 1.0 . . . . . . . . . . . . A . 73 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 948 . 1 1 57 LYS CD C 5.032 15.275 6.934 . . . 1.0 . . . . . . . . . . . . A . 73 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 949 . 1 1 57 LYS CE C 6.323 15.838 7.511 . . . 1.0 . . . . . . . . . . . . A . 73 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 950 . 1 1 57 LYS CG C 5.072 13.756 6.890 . . . 1.0 . . . . . . . . . . . . A . 73 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 951 . 1 1 57 LYS H H 4.140 13.267 9.129 . . . 1.0 . . . . . . . . . . . . A . 73 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 952 . 1 1 57 LYS HA H 2.217 14.438 7.431 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 953 . 1 1 57 LYS HB2 H 3.828 12.074 6.542 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 954 . 1 1 57 LYS HB3 H 3.376 13.510 5.639 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 955 . 1 1 57 LYS HD2 H 4.900 15.652 5.931 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 956 . 1 1 57 LYS HD3 H 4.203 15.588 7.553 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 957 . 1 1 57 LYS HE2 H 7.153 15.286 7.099 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 958 . 1 1 57 LYS HE3 H 6.406 16.875 7.225 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 959 . 1 1 57 LYS HG2 H 5.419 13.391 7.846 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 960 . 1 1 57 LYS HG3 H 5.763 13.448 6.119 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 961 . 1 1 57 LYS HZ1 H 7.278 16.084 9.355 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 962 . 1 1 57 LYS HZ2 H 6.241 14.745 9.298 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 963 . 1 1 57 LYS HZ3 H 5.603 16.320 9.413 . . . 1.0 . . . . . . . . . . . . A . 73 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 964 . 1 1 57 LYS N N 3.196 13.507 8.989 . . . 1.0 . . . . . . . . . . . . A . 73 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 965 . 1 1 57 LYS NZ N 6.365 15.739 8.996 . . . 1.0 . . . . . . . . . . . . A . 73 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 966 . 1 1 57 LYS O O 0.472 12.671 6.960 . . . 1.0 . . . . . . . . . . . . A . 73 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 967 . 1 1 58 GLU C C -0.493 10.647 9.010 . . . 1.0 . . . . . . . . . . . . A . 74 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 968 . 1 1 58 GLU CA C 0.721 10.226 8.192 . . . 1.0 . . . . . . . . . . . . A . 74 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 969 . 1 1 58 GLU CB C 1.279 8.904 8.715 . . . 1.0 . . . . . . . . . . . . A . 74 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 970 . 1 1 58 GLU CD C 0.920 6.403 8.885 . . . 1.0 . . . . . . . . . . . . A . 74 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 971 . 1 1 58 GLU CG C 0.463 7.702 8.260 . . . 1.0 . . . . . . . . . . . . A . 74 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 972 . 1 1 58 GLU H H 2.573 11.133 8.671 . . . 1.0 . . . . . . . . . . . . A . 74 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 973 . 1 1 58 GLU HA H 0.408 10.090 7.168 . . . 1.0 . . . . . . . . . . . . A . 74 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 974 . 1 1 58 GLU HB2 H 2.293 8.784 8.361 . . . 1.0 . . . . . . . . . . . . A . 74 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 975 . 1 1 58 GLU HB3 H 1.281 8.926 9.795 . . . 1.0 . . . . . . . . . . . . A . 74 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 976 . 1 1 58 GLU HG2 H -0.570 7.865 8.530 . . . 1.0 . . . . . . . . . . . . A . 74 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 977 . 1 1 58 GLU HG3 H 0.542 7.617 7.185 . . . 1.0 . . . . . . . . . . . . A . 74 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 978 . 1 1 58 GLU N N 1.727 11.276 8.201 . . . 1.0 . . . . . . . . . . . . A . 74 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 979 . 1 1 58 GLU O O -1.624 10.315 8.663 . . . 1.0 . . . . . . . . . . . . A . 74 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 980 . 1 1 58 GLU OE1 O 1.822 6.439 9.749 . . . 1.0 . . . . . . . . . . . . A . 74 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 981 . 1 1 58 GLU OE2 O 0.367 5.342 8.526 . . . 1.0 . . . . . . . . . . . . A . 74 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 982 . 1 1 59 ALA C C -2.259 12.772 10.102 . . . 1.0 . . . . . . . . . . . . A . 75 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 983 . 1 1 59 ALA CA C -1.353 11.868 10.926 . . . 1.0 . . . . . . . . . . . . A . 75 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 984 . 1 1 59 ALA CB C -0.814 12.606 12.140 . . . 1.0 . . . . . . . . . . . . A . 75 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 985 . 1 1 59 ALA H H 0.664 11.618 10.328 . . . 1.0 . . . . . . . . . . . . A . 75 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 986 . 1 1 59 ALA HA H -1.917 11.010 11.265 . . . 1.0 . . . . . . . . . . . . A . 75 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 987 . 1 1 59 ALA HB1 H -0.320 13.510 11.822 . . . 1.0 . . . . . . . . . . . . A . 75 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 988 . 1 1 59 ALA HB2 H -0.110 11.973 12.660 . . . 1.0 . . . . . . . . . . . . A . 75 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 989 . 1 1 59 ALA HB3 H -1.632 12.855 12.799 . . . 1.0 . . . . . . . . . . . . A . 75 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 990 . 1 1 59 ALA N N -0.259 11.390 10.089 . . . 1.0 . . . . . . . . . . . . A . 75 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 991 . 1 1 59 ALA O O -3.486 12.744 10.232 . . . 1.0 . . . . . . . . . . . . A . 75 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 992 . 1 1 60 ARG C C -3.159 13.645 7.356 . . . 1.0 . . . . . . . . . . . . A . 76 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 993 . 1 1 60 ARG CA C -2.339 14.463 8.348 . . . 1.0 . . . . . . . . . . . . A . 76 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 994 . 1 1 60 ARG CB C -1.337 15.348 7.604 . . . 1.0 . . . . . . . . . . . . A . 76 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 995 . 1 1 60 ARG CD C -0.941 17.317 6.099 . . . 1.0 . . . . . . . . . . . . A . 76 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 996 . 1 1 60 ARG CG C -1.951 16.581 6.966 . . . 1.0 . . . . . . . . . . . . A . 76 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 997 . 1 1 60 ARG CZ C 1.441 17.974 6.193 . . . 1.0 . . . . . . . . . . . . A . 76 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 998 . 1 1 60 ARG H H -0.647 13.533 9.204 . . . 1.0 . . . . . . . . . . . . A . 76 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 999 . 1 1 60 ARG HA H -2.999 15.080 8.940 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 1000 . 1 1 60 ARG HB2 H -0.579 15.673 8.300 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1001 . 1 1 60 ARG HB3 H -0.869 14.763 6.826 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1002 . 1 1 60 ARG HD2 H -0.776 16.747 5.196 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1003 . 1 1 60 ARG HD3 H -1.344 18.284 5.843 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1004 . 1 1 60 ARG HE H 0.385 17.264 7.736 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 1005 . 1 1 60 ARG HG2 H -2.787 16.279 6.354 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1006 . 1 1 60 ARG HG3 H -2.295 17.245 7.748 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1007 . 1 1 60 ARG HH11 H 0.582 18.199 4.371 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 1008 . 1 1 60 ARG HH12 H 2.247 18.674 4.468 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 1009 . 1 1 60 ARG HH21 H 2.573 17.848 7.877 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 1010 . 1 1 60 ARG HH22 H 3.389 18.468 6.464 . . . 1.0 . . . . . . . . . . . . A . 76 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 1011 . 1 1 60 ARG N N -1.628 13.559 9.238 . . . 1.0 . . . . . . . . . . . . A . 76 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 1012 . 1 1 60 ARG NE N 0.341 17.504 6.782 . . . 1.0 . . . . . . . . . . . . A . 76 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 1013 . 1 1 60 ARG NH1 N 1.423 18.304 4.906 . . . 1.0 . . . . . . . . . . . . A . 76 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 1014 . 1 1 60 ARG NH2 N 2.558 18.108 6.895 . . . 1.0 . . . . . . . . . . . . A . 76 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 1015 . 1 1 60 ARG O O -4.301 13.986 7.036 . . . 1.0 . . . . . . . . . . . . A . 76 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 1016 . 1 1 61 LEU C C -4.459 11.043 6.588 . . . 1.0 . . . . . . . . . . . . A . 77 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 1017 . 1 1 61 LEU CA C -3.218 11.652 5.953 . . . 1.0 . . . . . . . . . . . . A . 77 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 1018 . 1 1 61 LEU CB C -2.260 10.543 5.509 . . . 1.0 . . . . . . . . . . . . A . 77 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 1019 . 1 1 61 LEU CD1 C -0.137 9.909 4.340 . . . 1.0 . . . . . . . . . . . . A . 77 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1020 . 1 1 61 LEU CD2 C -1.901 11.175 3.116 . . . 1.0 . . . . . . . . . . . . A . 77 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1021 . 1 1 61 LEU CG C -1.230 10.958 4.461 . . . 1.0 . . . . . . . . . . . . A . 77 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 1022 . 1 1 61 LEU H H -1.645 12.355 7.175 . . . 1.0 . . . . . . . . . . . . A . 77 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 1023 . 1 1 61 LEU HA H -3.514 12.230 5.089 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 1024 . 1 1 61 LEU HB2 H -1.732 10.182 6.381 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1025 . 1 1 61 LEU HB3 H -2.845 9.733 5.104 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1026 . 1 1 61 LEU HD11 H 0.542 10.000 5.174 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 1027 . 1 1 61 LEU HD12 H 0.402 10.057 3.417 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 1028 . 1 1 61 LEU HD13 H -0.583 8.925 4.344 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 1029 . 1 1 61 LEU HD21 H -1.154 11.432 2.379 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 1030 . 1 1 61 LEU HD22 H -2.618 11.979 3.196 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 1031 . 1 1 61 LEU HD23 H -2.407 10.270 2.814 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 1032 . 1 1 61 LEU HG H -0.771 11.887 4.764 . . . 1.0 . . . . . . . . . . . . A . 77 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 1033 . 1 1 61 LEU N N -2.562 12.554 6.887 . . . 1.0 . . . . . . . . . . . . A . 77 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 1034 . 1 1 61 LEU O O -5.506 10.958 5.954 . . . 1.0 . . . . . . . . . . . . A . 77 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 1035 . 1 1 62 ILE C C -6.603 11.023 8.677 . . . 1.0 . . . . . . . . . . . . A . 78 ILE C . . . . . . . . . rr_2fyl 1 . 1 . 1036 . 1 1 62 ILE CA C -5.446 10.035 8.579 . . . 1.0 . . . . . . . . . . . . A . 78 ILE CA . . . . . . . . . rr_2fyl 1 . 1 . 1037 . 1 1 62 ILE CB C -5.031 9.588 10.000 . . . 1.0 . . . . . . . . . . . . A . 78 ILE CB . . . . . . . . . rr_2fyl 1 . 1 . 1038 . 1 1 62 ILE CD1 C -3.336 8.182 11.286 . . . 1.0 . . . . . . . . . . . . A . 78 ILE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1039 . 1 1 62 ILE CG1 C -3.893 8.568 9.931 . . . 1.0 . . . . . . . . . . . . A . 78 ILE CG1 . . . . . . . . . rr_2fyl 1 . 1 . 1040 . 1 1 62 ILE CG2 C -6.224 8.996 10.739 . . . 1.0 . . . . . . . . . . . . A . 78 ILE CG2 . . . . . . . . . rr_2fyl 1 . 1 . 1041 . 1 1 62 ILE H H -3.457 10.705 8.294 . . . 1.0 . . . . . . . . . . . . A . 78 ILE H . . . . . . . . . rr_2fyl 1 . 1 . 1042 . 1 1 62 ILE HA H -5.777 9.164 8.032 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HA . . . . . . . . . rr_2fyl 1 . 1 . 1043 . 1 1 62 ILE HB H -4.696 10.458 10.544 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HB . . . . . . . . . rr_2fyl 1 . 1 . 1044 . 1 1 62 ILE HD11 H -2.981 9.066 11.794 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HD11 . . . . . . . . . rr_2fyl 1 . 1 . 1045 . 1 1 62 ILE HD12 H -2.518 7.490 11.154 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HD12 . . . . . . . . . rr_2fyl 1 . 1 . 1046 . 1 1 62 ILE HD13 H -4.113 7.715 11.875 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HD13 . . . . . . . . . rr_2fyl 1 . 1 . 1047 . 1 1 62 ILE HG12 H -4.254 7.669 9.455 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HG12 . . . . . . . . . rr_2fyl 1 . 1 . 1048 . 1 1 62 ILE HG13 H -3.084 8.980 9.343 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HG13 . . . . . . . . . rr_2fyl 1 . 1 . 1049 . 1 1 62 ILE HG21 H -6.606 8.149 10.187 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HG21 . . . . . . . . . rr_2fyl 1 . 1 . 1050 . 1 1 62 ILE HG22 H -6.996 9.743 10.834 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HG22 . . . . . . . . . rr_2fyl 1 . 1 . 1051 . 1 1 62 ILE HG23 H -5.912 8.674 11.721 . . . 1.0 . . . . . . . . . . . . A . 78 ILE HG23 . . . . . . . . . rr_2fyl 1 . 1 . 1052 . 1 1 62 ILE N N -4.332 10.626 7.849 . . . 1.0 . . . . . . . . . . . . A . 78 ILE N . . . . . . . . . rr_2fyl 1 . 1 . 1053 . 1 1 62 ILE O O -7.763 10.654 8.502 . . . 1.0 . . . . . . . . . . . . A . 78 ILE O . . . . . . . . . rr_2fyl 1 . 1 . 1054 . 1 1 63 ARG C C -8.038 13.449 7.710 . . . 1.0 . . . . . . . . . . . . A . 79 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 1055 . 1 1 63 ARG CA C -7.302 13.321 9.040 . . . 1.0 . . . . . . . . . . . . A . 79 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 1056 . 1 1 63 ARG CB C -6.684 14.665 9.438 . . . 1.0 . . . . . . . . . . . . A . 79 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 1057 . 1 1 63 ARG CD C -7.101 16.982 10.327 . . . 1.0 . . . . . . . . . . . . A . 79 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 1058 . 1 1 63 ARG CG C -7.713 15.766 9.648 . . . 1.0 . . . . . . . . . . . . A . 79 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 1059 . 1 1 63 ARG CZ C -8.685 18.308 11.685 . . . 1.0 . . . . . . . . . . . . A . 79 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 1060 . 1 1 63 ARG H H -5.335 12.522 9.081 . . . 1.0 . . . . . . . . . . . . A . 79 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 1061 . 1 1 63 ARG HA H -8.007 13.018 9.801 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 1062 . 1 1 63 ARG HB2 H -6.130 14.537 10.357 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1063 . 1 1 63 ARG HB3 H -6.006 14.981 8.660 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1064 . 1 1 63 ARG HD2 H -6.709 16.684 11.288 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1065 . 1 1 63 ARG HD3 H -6.297 17.354 9.711 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1066 . 1 1 63 ARG HE H -8.298 18.612 9.743 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 1067 . 1 1 63 ARG HG2 H -8.108 16.062 8.688 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1068 . 1 1 63 ARG HG3 H -8.514 15.384 10.264 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1069 . 1 1 63 ARG HH11 H -7.789 16.796 12.705 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 1070 . 1 1 63 ARG HH12 H -8.885 17.772 13.630 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 1071 . 1 1 63 ARG HH21 H -9.747 19.881 10.967 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 1072 . 1 1 63 ARG HH22 H -10.008 19.505 12.645 . . . 1.0 . . . . . . . . . . . . A . 79 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 1073 . 1 1 63 ARG N N -6.280 12.286 8.944 . . . 1.0 . . . . . . . . . . . . A . 79 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 1074 . 1 1 63 ARG NE N -8.082 18.050 10.524 . . . 1.0 . . . . . . . . . . . . A . 79 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 1075 . 1 1 63 ARG NH1 N -8.434 17.564 12.758 . . . 1.0 . . . . . . . . . . . . A . 79 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 1076 . 1 1 63 ARG NH2 N -9.548 19.311 11.774 . . . 1.0 . . . . . . . . . . . . A . 79 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 1077 . 1 1 63 ARG O O -9.266 13.558 7.670 . . . 1.0 . . . . . . . . . . . . A . 79 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 1078 . 1 1 64 ASN C C -8.670 12.242 4.986 . . . 1.0 . . . . . . . . . . . . A . 80 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 1079 . 1 1 64 ASN CA C -7.868 13.505 5.286 . . . 1.0 . . . . . . . . . . . . A . 80 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 1080 . 1 1 64 ASN CB C -6.778 13.702 4.231 . . . 1.0 . . . . . . . . . . . . A . 80 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 1081 . 1 1 64 ASN CG C -7.347 13.973 2.850 . . . 1.0 . . . . . . . . . . . . A . 80 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 1082 . 1 1 64 ASN H H -6.308 13.331 6.710 . . . 1.0 . . . . . . . . . . . . A . 80 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 1083 . 1 1 64 ASN HA H -8.535 14.354 5.271 . . . 1.0 . . . . . . . . . . . . A . 80 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 1084 . 1 1 64 ASN HB2 H -6.156 14.537 4.516 . . . 1.0 . . . . . . . . . . . . A . 80 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1085 . 1 1 64 ASN HB3 H -6.172 12.810 4.180 . . . 1.0 . . . . . . . . . . . . A . 80 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1086 . 1 1 64 ASN HD21 H -7.029 12.088 2.319 . . . 1.0 . . . . . . . . . . . . A . 80 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 1087 . 1 1 64 ASN HD22 H -7.733 13.099 1.108 . . . 1.0 . . . . . . . . . . . . A . 80 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 1088 . 1 1 64 ASN N N -7.283 13.415 6.618 . . . 1.0 . . . . . . . . . . . . A . 80 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 1089 . 1 1 64 ASN ND2 N -7.373 12.951 2.009 . . . 1.0 . . . . . . . . . . . . A . 80 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 1090 . 1 1 64 ASN O O -9.724 12.294 4.356 . . . 1.0 . . . . . . . . . . . . A . 80 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 1091 . 1 1 64 ASN OD1 O -7.751 15.095 2.539 . . . 1.0 . . . . . . . . . . . . A . 80 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1092 . 1 1 65 LEU C C -10.183 9.825 5.963 . . . 1.0 . . . . . . . . . . . . A . 81 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 1093 . 1 1 65 LEU CA C -8.832 9.827 5.266 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 1094 . 1 1 65 LEU CB C -7.964 8.675 5.785 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 1095 . 1 1 65 LEU CD1 C -8.434 7.064 3.909 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1096 . 1 1 65 LEU CD2 C -6.448 8.580 3.778 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1097 . 1 1 65 LEU CG C -7.347 7.774 4.704 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 1098 . 1 1 65 LEU H H -7.314 11.133 5.954 . . . 1.0 . . . . . . . . . . . . A . 81 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 1099 . 1 1 65 LEU HA H -8.989 9.700 4.207 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 1100 . 1 1 65 LEU HB2 H -7.163 9.097 6.373 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1101 . 1 1 65 LEU HB3 H -8.573 8.058 6.430 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1102 . 1 1 65 LEU HD11 H -8.844 6.261 4.503 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 1103 . 1 1 65 LEU HD12 H -8.011 6.662 3.002 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 1104 . 1 1 65 LEU HD13 H -9.218 7.764 3.662 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 1105 . 1 1 65 LEU HD21 H -6.020 7.928 3.029 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 1106 . 1 1 65 LEU HD22 H -5.656 9.034 4.354 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 1107 . 1 1 65 LEU HD23 H -7.027 9.352 3.293 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 1108 . 1 1 65 LEU HG H -6.739 7.017 5.182 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 1109 . 1 1 65 LEU N N -8.166 11.108 5.463 . . . 1.0 . . . . . . . . . . . . A . 81 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 1110 . 1 1 65 LEU O O -11.131 9.216 5.477 . . . 1.0 . . . . . . . . . . . . A . 81 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 1111 . 1 1 66 ASN C C -12.565 11.283 6.966 . . . 1.0 . . . . . . . . . . . . A . 82 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 1112 . 1 1 66 ASN CA C -11.518 10.609 7.845 . . . 1.0 . . . . . . . . . . . . A . 82 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 1113 . 1 1 66 ASN CB C -11.319 11.400 9.145 . . . 1.0 . . . . . . . . . . . . A . 82 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 1114 . 1 1 66 ASN CG C -12.581 11.470 9.991 . . . 1.0 . . . . . . . . . . . . A . 82 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 1115 . 1 1 66 ASN H H -9.457 10.943 7.461 . . . 1.0 . . . . . . . . . . . . A . 82 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 1116 . 1 1 66 ASN HA H -11.849 9.608 8.083 . . . 1.0 . . . . . . . . . . . . A . 82 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 1117 . 1 1 66 ASN HB2 H -10.544 10.928 9.730 . . . 1.0 . . . . . . . . . . . . A . 82 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1118 . 1 1 66 ASN HB3 H -11.017 12.407 8.898 . . . 1.0 . . . . . . . . . . . . A . 82 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1119 . 1 1 66 ASN HD21 H -12.995 13.289 9.294 . . . 1.0 . . . . . . . . . . . . A . 82 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 1120 . 1 1 66 ASN HD22 H -14.123 12.646 10.433 . . . 1.0 . . . . . . . . . . . . A . 82 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 1121 . 1 1 66 ASN N N -10.264 10.508 7.104 . . . 1.0 . . . . . . . . . . . . A . 82 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 1122 . 1 1 66 ASN ND2 N -13.305 12.578 9.898 . . . 1.0 . . . . . . . . . . . . A . 82 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 1123 . 1 1 66 ASN O O -13.721 10.863 6.922 . . . 1.0 . . . . . . . . . . . . A . 82 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 1124 . 1 1 66 ASN OD1 O -12.894 10.543 10.741 . . . 1.0 . . . . . . . . . . . . A . 82 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1125 . 1 1 67 VAL C C -13.477 12.111 4.225 . . . 1.0 . . . . . . . . . . . . A . 83 VAL C . . . . . . . . . rr_2fyl 1 . 1 . 1126 . 1 1 67 VAL CA C -13.019 13.042 5.342 . . . 1.0 . . . . . . . . . . . . A . 83 VAL CA . . . . . . . . . rr_2fyl 1 . 1 . 1127 . 1 1 67 VAL CB C -12.313 14.267 4.719 . . . 1.0 . . . . . . . . . . . . A . 83 VAL CB . . . . . . . . . rr_2fyl 1 . 1 . 1128 . 1 1 67 VAL CG1 C -13.297 15.116 3.926 . . . 1.0 . . . . . . . . . . . . A . 83 VAL CG1 . . . . . . . . . rr_2fyl 1 . 1 . 1129 . 1 1 67 VAL CG2 C -11.626 15.098 5.791 . . . 1.0 . . . . . . . . . . . . A . 83 VAL CG2 . . . . . . . . . rr_2fyl 1 . 1 . 1130 . 1 1 67 VAL H H -11.199 12.604 6.337 . . . 1.0 . . . . . . . . . . . . A . 83 VAL H . . . . . . . . . rr_2fyl 1 . 1 . 1131 . 1 1 67 VAL HA H -13.880 13.381 5.900 . . . 1.0 . . . . . . . . . . . . A . 83 VAL HA . . . . . . . . . rr_2fyl 1 . 1 . 1132 . 1 1 67 VAL HB H -11.557 13.907 4.036 . . . 1.0 . . . . . . . . . . . . A . 83 VAL HB . . . . . . . . . rr_2fyl 1 . 1 . 1133 . 1 1 67 VAL HG11 H -13.988 15.597 4.604 . . . 1.0 . . . . . . . . . . . . A . 83 VAL HG11 . . . . . . . . . rr_2fyl 1 . 1 . 1134 . 1 1 67 VAL HG12 H -13.846 14.486 3.243 . . . 1.0 . . . . . . . . . . . . A . 83 VAL HG12 . . . . . . . . . rr_2fyl 1 . 1 . 1135 . 1 1 67 VAL HG13 H -12.757 15.868 3.370 . . . 1.0 . . . . . . . . . . . . A . 83 VAL HG13 . . . . . . . . . rr_2fyl 1 . 1 . 1136 . 1 1 67 VAL HG21 H -10.869 14.501 6.278 . . . 1.0 . . . . . . . . . . . . A . 83 VAL HG21 . . . . . . . . . rr_2fyl 1 . 1 . 1137 . 1 1 67 VAL HG22 H -12.353 15.422 6.521 . . . 1.0 . . . . . . . . . . . . A . 83 VAL HG22 . . . . . . . . . rr_2fyl 1 . 1 . 1138 . 1 1 67 VAL HG23 H -11.163 15.962 5.336 . . . 1.0 . . . . . . . . . . . . A . 83 VAL HG23 . . . . . . . . . rr_2fyl 1 . 1 . 1139 . 1 1 67 VAL N N -12.137 12.319 6.250 . . . 1.0 . . . . . . . . . . . . A . 83 VAL N . . . . . . . . . rr_2fyl 1 . 1 . 1140 . 1 1 67 VAL O O -14.649 12.079 3.863 . . . 1.0 . . . . . . . . . . . . A . 83 VAL O . . . . . . . . . rr_2fyl 1 . 1 . 1141 . 1 1 68 ILE C C -13.774 9.301 3.101 . . . 1.0 . . . . . . . . . . . . A . 84 ILE C . . . . . . . . . rr_2fyl 1 . 1 . 1142 . 1 1 68 ILE CA C -12.805 10.388 2.629 . . . 1.0 . . . . . . . . . . . . A . 84 ILE CA . . . . . . . . . rr_2fyl 1 . 1 . 1143 . 1 1 68 ILE CB C -11.496 9.734 2.124 . . . 1.0 . . . . . . . . . . . . A . 84 ILE CB . . . . . . . . . rr_2fyl 1 . 1 . 1144 . 1 1 68 ILE CD1 C -9.249 10.257 1.033 . . . 1.0 . . . . . . . . . . . . A . 84 ILE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1145 . 1 1 68 ILE CG1 C -10.574 10.802 1.524 . . . 1.0 . . . . . . . . . . . . A . 84 ILE CG1 . . . . . . . . . rr_2fyl 1 . 1 . 1146 . 1 1 68 ILE CG2 C -11.792 8.645 1.101 . . . 1.0 . . . . . . . . . . . . A . 84 ILE CG2 . . . . . . . . . rr_2fyl 1 . 1 . 1147 . 1 1 68 ILE H H -11.614 11.418 4.041 . . . 1.0 . . . . . . . . . . . . A . 84 ILE H . . . . . . . . . rr_2fyl 1 . 1 . 1148 . 1 1 68 ILE HA H -13.255 10.926 1.808 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HA . . . . . . . . . rr_2fyl 1 . 1 . 1149 . 1 1 68 ILE HB H -11.002 9.277 2.967 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HB . . . . . . . . . rr_2fyl 1 . 1 . 1150 . 1 1 68 ILE HD11 H -8.614 11.078 0.730 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HD11 . . . . . . . . . rr_2fyl 1 . 1 . 1151 . 1 1 68 ILE HD12 H -9.419 9.603 0.191 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HD12 . . . . . . . . . rr_2fyl 1 . 1 . 1152 . 1 1 68 ILE HD13 H -8.768 9.706 1.828 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HD13 . . . . . . . . . rr_2fyl 1 . 1 . 1153 . 1 1 68 ILE HG12 H -11.070 11.268 0.684 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HG12 . . . . . . . . . rr_2fyl 1 . 1 . 1154 . 1 1 68 ILE HG13 H -10.368 11.552 2.275 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HG13 . . . . . . . . . rr_2fyl 1 . 1 . 1155 . 1 1 68 ILE HG21 H -10.887 8.097 0.886 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HG21 . . . . . . . . . rr_2fyl 1 . 1 . 1156 . 1 1 68 ILE HG22 H -12.161 9.098 0.193 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HG22 . . . . . . . . . rr_2fyl 1 . 1 . 1157 . 1 1 68 ILE HG23 H -12.536 7.970 1.496 . . . 1.0 . . . . . . . . . . . . A . 84 ILE HG23 . . . . . . . . . rr_2fyl 1 . 1 . 1158 . 1 1 68 ILE N N -12.532 11.339 3.699 . . . 1.0 . . . . . . . . . . . . A . 84 ILE N . . . . . . . . . rr_2fyl 1 . 1 . 1159 . 1 1 68 ILE O O -14.735 8.968 2.409 . . . 1.0 . . . . . . . . . . . . A . 84 ILE O . . . . . . . . . rr_2fyl 1 . 1 . 1160 . 1 1 69 LEU C C -15.788 8.235 5.097 . . . 1.0 . . . . . . . . . . . . A . 85 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 1161 . 1 1 69 LEU CA C -14.373 7.722 4.850 . . . 1.0 . . . . . . . . . . . . A . 85 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 1162 . 1 1 69 LEU CB C -13.776 7.179 6.151 . . . 1.0 . . . . . . . . . . . . A . 85 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 1163 . 1 1 69 LEU CD1 C -11.948 5.947 7.340 . . . 1.0 . . . . . . . . . . . . A . 85 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1164 . 1 1 69 LEU CD2 C -12.853 5.053 5.188 . . . 1.0 . . . . . . . . . . . . A . 85 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1165 . 1 1 69 LEU CG C -12.527 6.310 5.983 . . . 1.0 . . . . . . . . . . . . A . 85 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 1166 . 1 1 69 LEU H H -12.746 9.084 4.806 . . . 1.0 . . . . . . . . . . . . A . 85 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 1167 . 1 1 69 LEU HA H -14.421 6.919 4.130 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 1168 . 1 1 69 LEU HB2 H -13.521 8.019 6.780 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1169 . 1 1 69 LEU HB3 H -14.531 6.591 6.651 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1170 . 1 1 69 LEU HD11 H -11.075 5.327 7.206 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 1171 . 1 1 69 LEU HD12 H -12.687 5.409 7.914 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 1172 . 1 1 69 LEU HD13 H -11.673 6.850 7.865 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 1173 . 1 1 69 LEU HD21 H -13.682 4.538 5.652 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 1174 . 1 1 69 LEU HD22 H -11.990 4.403 5.173 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 1175 . 1 1 69 LEU HD23 H -13.118 5.324 4.177 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 1176 . 1 1 69 LEU HG H -11.778 6.867 5.438 . . . 1.0 . . . . . . . . . . . . A . 85 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 1177 . 1 1 69 LEU N N -13.525 8.768 4.290 . . . 1.0 . . . . . . . . . . . . A . 85 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 1178 . 1 1 69 LEU O O -16.760 7.516 4.886 . . . 1.0 . . . . . . . . . . . . A . 85 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 1179 . 1 1 70 ALA C C -17.856 10.564 4.498 . . . 1.0 . . . . . . . . . . . . A . 86 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 1180 . 1 1 70 ALA CA C -17.201 10.081 5.790 . . . 1.0 . . . . . . . . . . . . A . 86 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 1181 . 1 1 70 ALA CB C -17.063 11.228 6.781 . . . 1.0 . . . . . . . . . . . . A . 86 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 1182 . 1 1 70 ALA H H -15.086 10.016 5.674 . . . 1.0 . . . . . . . . . . . . A . 86 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 1183 . 1 1 70 ALA HA H -17.829 9.325 6.238 . . . 1.0 . . . . . . . . . . . . A . 86 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 1184 . 1 1 70 ALA HB1 H -16.446 12.003 6.353 . . . 1.0 . . . . . . . . . . . . A . 86 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 1185 . 1 1 70 ALA HB2 H -16.606 10.864 7.690 . . . 1.0 . . . . . . . . . . . . A . 86 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1186 . 1 1 70 ALA HB3 H -18.040 11.628 7.006 . . . 1.0 . . . . . . . . . . . . A . 86 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1187 . 1 1 70 ALA N N -15.900 9.483 5.525 . . . 1.0 . . . . . . . . . . . . A . 86 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 1188 . 1 1 70 ALA O O -19.024 10.950 4.486 . . . 1.0 . . . . . . . . . . . . A . 86 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 1189 . 1 1 71 LYS C C -17.997 9.810 1.222 . . . 1.0 . . . . . . . . . . . . A . 87 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 1190 . 1 1 71 LYS CA C -17.608 10.982 2.124 . . . 1.0 . . . . . . . . . . . . A . 87 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1191 . 1 1 71 LYS CB C -16.556 11.846 1.424 . . . 1.0 . . . . . . . . . . . . A . 87 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1192 . 1 1 71 LYS CD C -15.970 13.320 -0.518 . . . 1.0 . . . . . . . . . . . . A . 87 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 1193 . 1 1 71 LYS CE C -16.501 14.161 -1.666 . . . 1.0 . . . . . . . . . . . . A . 87 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 1194 . 1 1 71 LYS CG C -17.099 12.682 0.277 . . . 1.0 . . . . . . . . . . . . A . 87 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 1195 . 1 1 71 LYS H H -16.177 10.211 3.475 . . . 1.0 . . . . . . . . . . . . A . 87 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 1196 . 1 1 71 LYS HA H -18.485 11.581 2.308 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1197 . 1 1 71 LYS HB2 H -16.118 12.514 2.150 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1198 . 1 1 71 LYS HB3 H -15.783 11.200 1.034 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1199 . 1 1 71 LYS HD2 H -15.395 13.951 0.141 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1200 . 1 1 71 LYS HD3 H -15.337 12.539 -0.917 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1201 . 1 1 71 LYS HE2 H -17.451 13.761 -1.979 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 1202 . 1 1 71 LYS HE3 H -16.636 15.174 -1.317 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 1203 . 1 1 71 LYS HG2 H -17.676 12.049 -0.379 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1204 . 1 1 71 LYS HG3 H -17.729 13.463 0.679 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1205 . 1 1 71 LYS HZ1 H -15.099 13.247 -2.923 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 1206 . 1 1 71 LYS HZ2 H -14.849 14.907 -2.701 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 1207 . 1 1 71 LYS HZ3 H -16.103 14.366 -3.705 . . . 1.0 . . . . . . . . . . . . A . 87 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 1208 . 1 1 71 LYS N N -17.101 10.532 3.409 . . . 1.0 . . . . . . . . . . . . A . 87 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 1209 . 1 1 71 LYS NZ N -15.573 14.172 -2.827 . . . 1.0 . . . . . . . . . . . . A . 87 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 1210 . 1 1 71 LYS O O -19.017 9.863 0.540 . . . 1.0 . . . . . . . . . . . . A . 87 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 1211 . 1 1 72 TYR C C -17.878 6.357 1.168 . . . 1.0 . . . . . . . . . . . . A . 88 TYR C . . . . . . . . . rr_2fyl 1 . 1 . 1212 . 1 1 72 TYR CA C -17.483 7.600 0.370 . . . 1.0 . . . . . . . . . . . . A . 88 TYR CA . . . . . . . . . rr_2fyl 1 . 1 . 1213 . 1 1 72 TYR CB C -16.268 7.287 -0.507 . . . 1.0 . . . . . . . . . . . . A . 88 TYR CB . . . . . . . . . rr_2fyl 1 . 1 . 1214 . 1 1 72 TYR CD1 C -16.324 8.877 -2.481 . . . 1.0 . . . . . . . . . . . . A . 88 TYR CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1215 . 1 1 72 TYR CD2 C -14.672 9.225 -0.798 . . . 1.0 . . . . . . . . . . . . A . 88 TYR CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1216 . 1 1 72 TYR CE1 C -15.847 9.971 -3.179 . . . 1.0 . . . . . . . . . . . . A . 88 TYR CE1 . . . . . . . . . rr_2fyl 1 . 1 . 1217 . 1 1 72 TYR CE2 C -14.189 10.318 -1.492 . . . 1.0 . . . . . . . . . . . . A . 88 TYR CE2 . . . . . . . . . rr_2fyl 1 . 1 . 1218 . 1 1 72 TYR CG C -15.745 8.485 -1.279 . . . 1.0 . . . . . . . . . . . . A . 88 TYR CG . . . . . . . . . rr_2fyl 1 . 1 . 1219 . 1 1 72 TYR CZ C -14.779 10.687 -2.681 . . . 1.0 . . . . . . . . . . . . A . 88 TYR CZ . . . . . . . . . rr_2fyl 1 . 1 . 1220 . 1 1 72 TYR H H -16.395 8.746 1.794 . . . 1.0 . . . . . . . . . . . . A . 88 TYR H . . . . . . . . . rr_2fyl 1 . 1 . 1221 . 1 1 72 TYR HA H -18.308 7.870 -0.272 . . . 1.0 . . . . . . . . . . . . A . 88 TYR HA . . . . . . . . . rr_2fyl 1 . 1 . 1222 . 1 1 72 TYR HB2 H -15.468 6.921 0.119 . . . 1.0 . . . . . . . . . . . . A . 88 TYR HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1223 . 1 1 72 TYR HB3 H -16.537 6.523 -1.221 . . . 1.0 . . . . . . . . . . . . A . 88 TYR HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1224 . 1 1 72 TYR HD1 H -17.160 8.315 -2.869 . . . 1.0 . . . . . . . . . . . . A . 88 TYR HD1 . . . . . . . . . rr_2fyl 1 . 1 . 1225 . 1 1 72 TYR HD2 H -14.213 8.934 0.135 . . . 1.0 . . . . . . . . . . . . A . 88 TYR HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1226 . 1 1 72 TYR HE1 H -16.310 10.261 -4.110 . . . 1.0 . . . . . . . . . . . . A . 88 TYR HE1 . . . . . . . . . rr_2fyl 1 . 1 . 1227 . 1 1 72 TYR HE2 H -13.352 10.878 -1.102 . . . 1.0 . . . . . . . . . . . . A . 88 TYR HE2 . . . . . . . . . rr_2fyl 1 . 1 . 1228 . 1 1 72 TYR HH H -13.336 11.821 -3.301 . . . 1.0 . . . . . . . . . . . . A . 88 TYR HH . . . . . . . . . rr_2fyl 1 . 1 . 1229 . 1 1 72 TYR N N -17.199 8.749 1.226 . . . 1.0 . . . . . . . . . . . . A . 88 TYR N . . . . . . . . . rr_2fyl 1 . 1 . 1230 . 1 1 72 TYR O O -18.458 5.430 0.610 . . . 1.0 . . . . . . . . . . . . A . 88 TYR O . . . . . . . . . rr_2fyl 1 . 1 . 1231 . 1 1 72 TYR OH O -14.310 11.783 -3.369 . . . 1.0 . . . . . . . . . . . . A . 88 TYR OH . . . . . . . . . rr_2fyl 1 . 1 . 1232 . 1 1 73 GLY C C -17.380 3.885 2.755 . . . 1.0 . . . . . . . . . . . . A . 89 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 1233 . 1 1 73 GLY CA C -17.902 5.199 3.310 . . . 1.0 . . . . . . . . . . . . A . 89 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 1234 . 1 1 73 GLY H H -17.120 7.120 2.861 . . . 1.0 . . . . . . . . . . . . A . 89 GLY H . . . . . . . . . rr_2fyl 1 . 1 . 1235 . 1 1 73 GLY HA2 H -17.478 5.354 4.289 . . . 1.0 . . . . . . . . . . . . A . 89 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 1236 . 1 1 73 GLY HA3 H -18.977 5.136 3.401 . . . 1.0 . . . . . . . . . . . . A . 89 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 1237 . 1 1 73 GLY N N -17.568 6.343 2.465 . . . 1.0 . . . . . . . . . . . . A . 89 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 1238 . 1 1 73 GLY O O -18.159 2.983 2.450 . . . 1.0 . . . . . . . . . . . . A . 89 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 1239 . 1 1 74 LEU C C -14.766 1.707 3.149 . . . 1.0 . . . . . . . . . . . . A . 90 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 1240 . 1 1 74 LEU CA C -15.449 2.569 2.085 . . . 1.0 . . . . . . . . . . . . A . 90 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 1241 . 1 1 74 LEU CB C -14.434 2.963 1.004 . . . 1.0 . . . . . . . . . . . . A . 90 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 1242 . 1 1 74 LEU CD1 C -13.981 4.036 -1.212 . . . 1.0 . . . . . . . . . . . . A . 90 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1243 . 1 1 74 LEU CD2 C -15.645 2.185 -1.051 . . . 1.0 . . . . . . . . . . . . A . 90 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1244 . 1 1 74 LEU CG C -15.038 3.383 -0.338 . . . 1.0 . . . . . . . . . . . . A . 90 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 1245 . 1 1 74 LEU H H -15.490 4.498 2.959 . . . 1.0 . . . . . . . . . . . . A . 90 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 1246 . 1 1 74 LEU HA H -16.232 1.988 1.625 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 1247 . 1 1 74 LEU HB2 H -13.841 3.787 1.378 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1248 . 1 1 74 LEU HB3 H -13.779 2.122 0.829 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1249 . 1 1 74 LEU HD11 H -13.145 3.363 -1.326 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 1250 . 1 1 74 LEU HD12 H -13.646 4.951 -0.747 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 1251 . 1 1 74 LEU HD13 H -14.402 4.256 -2.181 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 1252 . 1 1 74 LEU HD21 H -16.430 1.762 -0.442 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 1253 . 1 1 74 LEU HD22 H -14.880 1.441 -1.220 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 1254 . 1 1 74 LEU HD23 H -16.056 2.499 -1.999 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 1255 . 1 1 74 LEU HG H -15.823 4.108 -0.163 . . . 1.0 . . . . . . . . . . . . A . 90 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 1256 . 1 1 74 LEU N N -16.063 3.769 2.646 . . . 1.0 . . . . . . . . . . . . A . 90 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 1257 . 1 1 74 LEU O O -13.799 1.008 2.853 . . . 1.0 . . . . . . . . . . . . A . 90 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 1258 . 1 1 75 ASP C C -15.341 -0.439 5.483 . . . 1.0 . . . . . . . . . . . . A . 91 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 1259 . 1 1 75 ASP CA C -14.688 0.938 5.449 . . . 1.0 . . . . . . . . . . . . A . 91 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 1260 . 1 1 75 ASP CB C -14.832 1.630 6.812 . . . 1.0 . . . . . . . . . . . . A . 91 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 1261 . 1 1 75 ASP CG C -16.219 1.486 7.416 . . . 1.0 . . . . . . . . . . . . A . 91 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 1262 . 1 1 75 ASP H H -16.052 2.299 4.564 . . . 1.0 . . . . . . . . . . . . A . 91 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 1263 . 1 1 75 ASP HA H -13.637 0.813 5.230 . . . 1.0 . . . . . . . . . . . . A . 91 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 1264 . 1 1 75 ASP HB2 H -14.121 1.201 7.501 . . . 1.0 . . . . . . . . . . . . A . 91 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1265 . 1 1 75 ASP HB3 H -14.622 2.683 6.694 . . . 1.0 . . . . . . . . . . . . A . 91 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1266 . 1 1 75 ASP N N -15.269 1.742 4.376 . . . 1.0 . . . . . . . . . . . . A . 91 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 1267 . 1 1 75 ASP O O -16.281 -0.707 4.731 . . . 1.0 . . . . . . . . . . . . A . 91 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 1268 . 1 1 75 ASP OD1 O -17.095 2.320 7.109 . . . 1.0 . . . . . . . . . . . . A . 91 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1269 . 1 1 75 ASP OD2 O -16.436 0.552 8.218 . . . 1.0 . . . . . . . . . . . . A . 91 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 1270 . 1 1 76 GLY C C -15.048 -3.301 7.763 . . . 1.0 . . . . . . . . . . . . A . 92 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 1271 . 1 1 76 GLY CA C -15.386 -2.646 6.442 . . . 1.0 . . . . . . . . . . . . A . 92 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 1272 . 1 1 76 GLY H H -14.092 -1.047 6.915 . . . 1.0 . . . . . . . . . . . . A . 92 GLY H . . . . . . . . . rr_2fyl 1 . 1 . 1273 . 1 1 76 GLY HA2 H -16.458 -2.589 6.338 . . . 1.0 . . . . . . . . . . . . A . 92 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 1274 . 1 1 76 GLY HA3 H -14.988 -3.251 5.640 . . . 1.0 . . . . . . . . . . . . A . 92 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 1275 . 1 1 76 GLY N N -14.837 -1.312 6.339 . . . 1.0 . . . . . . . . . . . . A . 92 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 1276 . 1 1 76 GLY O O -13.872 -3.459 8.087 . . . 1.0 . . . . . . . . . . . . A . 92 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 1277 . 1 1 77 LYS C C -14.996 -3.493 10.730 . . . 1.0 . . . . . . . . . . . . A . 93 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 1278 . 1 1 77 LYS CA C -15.930 -4.303 9.828 . . . 1.0 . . . . . . . . . . . . A . 93 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1279 . 1 1 77 LYS CB C -15.420 -5.745 9.661 . . . 1.0 . . . . . . . . . . . . A . 93 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1280 . 1 1 77 LYS CD C -15.233 -8.073 10.607 . . . 1.0 . . . . . . . . . . . . A . 93 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 1281 . 1 1 77 LYS CE C -15.116 -8.887 11.890 . . . 1.0 . . . . . . . . . . . . A . 93 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 1282 . 1 1 77 LYS CG C -15.646 -6.633 10.881 . . . 1.0 . . . . . . . . . . . . A . 93 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 1283 . 1 1 77 LYS H H -16.992 -3.470 8.195 . . . 1.0 . . . . . . . . . . . . A . 93 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 1284 . 1 1 77 LYS HA H -16.906 -4.332 10.291 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1285 . 1 1 77 LYS HB2 H -15.926 -6.197 8.821 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1286 . 1 1 77 LYS HB3 H -14.360 -5.718 9.455 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1287 . 1 1 77 LYS HD2 H -15.972 -8.533 9.969 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1288 . 1 1 77 LYS HD3 H -14.277 -8.071 10.105 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1289 . 1 1 77 LYS HE2 H -14.579 -8.303 12.622 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 1290 . 1 1 77 LYS HE3 H -16.110 -9.096 12.257 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 1291 . 1 1 77 LYS HG2 H -15.060 -6.253 11.703 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1292 . 1 1 77 LYS HG3 H -16.694 -6.610 11.141 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1293 . 1 1 77 LYS HZ1 H -15.073 -10.960 11.550 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 1294 . 1 1 77 LYS HZ2 H -13.778 -10.387 12.490 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 1295 . 1 1 77 LYS HZ3 H -13.800 -10.109 10.816 . . . 1.0 . . . . . . . . . . . . A . 93 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 1296 . 1 1 77 LYS N N -16.085 -3.656 8.523 . . . 1.0 . . . . . . . . . . . . A . 93 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 1297 . 1 1 77 LYS NZ N -14.396 -10.173 11.675 . . . 1.0 . . . . . . . . . . . . A . 93 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 1298 . 1 1 77 LYS O O -14.041 -4.021 11.294 . . . 1.0 . . . . . . . . . . . . A . 93 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 1299 . 1 1 78 LYS C C -14.475 -1.755 13.154 . . . 1.0 . . . . . . . . . . . . A . 94 LYS C . . . . . . . . . rr_2fyl 1 . 1 . 1300 . 1 1 78 LYS CA C -14.482 -1.305 11.692 . . . 1.0 . . . . . . . . . . . . A . 94 LYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1301 . 1 1 78 LYS CB C -15.010 0.130 11.585 . . . 1.0 . . . . . . . . . . . . A . 94 LYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1302 . 1 1 78 LYS CD C -17.058 1.574 11.359 . . . 1.0 . . . . . . . . . . . . A . 94 LYS CD . . . . . . . . . rr_2fyl 1 . 1 . 1303 . 1 1 78 LYS CE C -18.487 1.429 10.859 . . . 1.0 . . . . . . . . . . . . A . 94 LYS CE . . . . . . . . . rr_2fyl 1 . 1 . 1304 . 1 1 78 LYS CG C -16.503 0.250 11.855 . . . 1.0 . . . . . . . . . . . . A . 94 LYS CG . . . . . . . . . rr_2fyl 1 . 1 . 1305 . 1 1 78 LYS H H -16.071 -1.843 10.392 . . . 1.0 . . . . . . . . . . . . A . 94 LYS H . . . . . . . . . rr_2fyl 1 . 1 . 1306 . 1 1 78 LYS HA H -13.469 -1.333 11.317 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1307 . 1 1 78 LYS HB2 H -14.487 0.748 12.298 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1308 . 1 1 78 LYS HB3 H -14.815 0.499 10.588 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1309 . 1 1 78 LYS HD2 H -17.042 2.287 12.170 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1310 . 1 1 78 LYS HD3 H -16.437 1.932 10.550 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1311 . 1 1 78 LYS HE2 H -19.105 1.082 11.673 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 1312 . 1 1 78 LYS HE3 H -18.838 2.394 10.528 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HE3 . . . . . . . . . rr_2fyl 1 . 1 . 1313 . 1 1 78 LYS HG2 H -17.016 -0.554 11.348 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1314 . 1 1 78 LYS HG3 H -16.674 0.173 12.919 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1315 . 1 1 78 LYS HZ1 H -19.467 0.617 9.204 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HZ1 . . . . . . . . . rr_2fyl 1 . 1 . 1316 . 1 1 78 LYS HZ2 H -18.571 -0.516 10.091 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 1317 . 1 1 78 LYS HZ3 H -17.776 0.592 9.077 . . . 1.0 . . . . . . . . . . . . A . 94 LYS HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 1318 . 1 1 78 LYS N N -15.290 -2.203 10.866 . . . 1.0 . . . . . . . . . . . . A . 94 LYS N . . . . . . . . . rr_2fyl 1 . 1 . 1319 . 1 1 78 LYS NZ N -18.585 0.466 9.731 . . . 1.0 . . . . . . . . . . . . A . 94 LYS NZ . . . . . . . . . rr_2fyl 1 . 1 . 1320 . 1 1 78 LYS O O -13.545 -1.456 13.905 . . . 1.0 . . . . . . . . . . . . A . 94 LYS O . . . . . . . . . rr_2fyl 1 . 1 . 1321 . 1 1 79 ASP C C -16.675 -4.125 14.899 . . . 1.0 . . . . . . . . . . . . A . 95 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 1322 . 1 1 79 ASP CA C -15.661 -2.989 14.896 . . . 1.0 . . . . . . . . . . . . A . 95 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 1323 . 1 1 79 ASP CB C -16.081 -1.861 15.850 . . . 1.0 . . . . . . . . . . . . A . 95 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 1324 . 1 1 79 ASP CG C -16.904 -2.337 17.034 . . . 1.0 . . . . . . . . . . . . A . 95 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 1325 . 1 1 79 ASP H H -16.216 -2.678 12.882 . . . 1.0 . . . . . . . . . . . . A . 95 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 1326 . 1 1 79 ASP HA H -14.703 -3.378 15.206 . . . 1.0 . . . . . . . . . . . . A . 95 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 1327 . 1 1 79 ASP HB2 H -15.194 -1.378 16.232 . . . 1.0 . . . . . . . . . . . . A . 95 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1328 . 1 1 79 ASP HB3 H -16.664 -1.138 15.300 . . . 1.0 . . . . . . . . . . . . A . 95 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1329 . 1 1 79 ASP N N -15.519 -2.476 13.539 . . . 1.0 . . . . . . . . . . . . A . 95 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 1330 . 1 1 79 ASP O O -16.361 -5.258 15.270 . . . 1.0 . . . . . . . . . . . . A . 95 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 1331 . 1 1 79 ASP OD1 O -16.351 -3.064 17.885 . . . 1.0 . . . . . . . . . . . . A . 95 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1332 . 1 1 79 ASP OD2 O -18.110 -2.020 17.101 . . . 1.0 . . . . . . . . . . . . A . 95 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 1333 . 1 1 80 ALA C C -19.393 -4.980 12.939 . . . 1.0 . . . . . . . . . . . . A . 96 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 1334 . 1 1 80 ALA CA C -18.950 -4.806 14.383 . . . 1.0 . . . . . . . . . . . . A . 96 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 1335 . 1 1 80 ALA CB C -20.126 -4.388 15.256 . . . 1.0 . . . . . . . . . . . . A . 96 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 1336 . 1 1 80 ALA H H -18.069 -2.897 14.173 . . . 1.0 . . . . . . . . . . . . A . 96 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 1337 . 1 1 80 ALA HA H -18.565 -5.745 14.752 . . . 1.0 . . . . . . . . . . . . A . 96 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 1338 . 1 1 80 ALA HB1 H -20.575 -3.493 14.851 . . . 1.0 . . . . . . . . . . . . A . 96 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 1339 . 1 1 80 ALA HB2 H -19.778 -4.194 16.260 . . . 1.0 . . . . . . . . . . . . A . 96 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1340 . 1 1 80 ALA HB3 H -20.859 -5.181 15.276 . . . 1.0 . . . . . . . . . . . . A . 96 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1341 . 1 1 80 ALA N N -17.884 -3.818 14.454 . . . 1.0 . . . . . . . . . . . . A . 96 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 1342 . 1 1 80 ALA O O -19.592 -6.097 12.467 . . . 1.0 . . . . . . . . . . . . A . 96 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 1343 . 1 1 81 ARG C C -19.139 -2.831 10.076 . . . 1.0 . . . . . . . . . . . . A . 97 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 1344 . 1 1 81 ARG CA C -19.933 -3.875 10.848 . . . 1.0 . . . . . . . . . . . . A . 97 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 1345 . 1 1 81 ARG CB C -21.434 -3.593 10.737 . . . 1.0 . . . . . . . . . . . . A . 97 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 1346 . 1 1 81 ARG CD C -21.938 -5.399 9.058 . . . 1.0 . . . . . . . . . . . . A . 97 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 1347 . 1 1 81 ARG CG C -22.018 -3.912 9.371 . . . 1.0 . . . . . . . . . . . . A . 97 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 1348 . 1 1 81 ARG CZ C -23.541 -7.275 8.965 . . . 1.0 . . . . . . . . . . . . A . 97 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 1349 . 1 1 81 ARG H H -19.331 -3.003 12.667 . . . 1.0 . . . . . . . . . . . . A . 97 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 1350 . 1 1 81 ARG HA H -19.720 -4.852 10.442 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 1351 . 1 1 81 ARG HB2 H -21.956 -4.183 11.475 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1352 . 1 1 81 ARG HB3 H -21.604 -2.545 10.940 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1353 . 1 1 81 ARG HD2 H -21.327 -5.537 8.177 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1354 . 1 1 81 ARG HD3 H -21.481 -5.906 9.894 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1355 . 1 1 81 ARG HE H -23.972 -5.369 8.522 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 1356 . 1 1 81 ARG HG2 H -23.051 -3.608 9.351 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1357 . 1 1 81 ARG HG3 H -21.465 -3.369 8.620 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1358 . 1 1 81 ARG HH11 H -21.674 -7.789 9.558 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 1359 . 1 1 81 ARG HH12 H -22.814 -9.092 9.493 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 1360 . 1 1 81 ARG HH21 H -25.481 -7.087 8.413 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 1361 . 1 1 81 ARG HH22 H -24.984 -8.697 8.827 . . . 1.0 . . . . . . . . . . . . A . 97 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 1362 . 1 1 81 ARG N N -19.523 -3.864 12.239 . . . 1.0 . . . . . . . . . . . . A . 97 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 1363 . 1 1 81 ARG NE N -23.258 -5.981 8.815 . . . 1.0 . . . . . . . . . . . . A . 97 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 1364 . 1 1 81 ARG NH1 N -22.601 -8.120 9.367 . . . 1.0 . . . . . . . . . . . . A . 97 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 1365 . 1 1 81 ARG NH2 N -24.766 -7.722 8.715 . . . 1.0 . . . . . . . . . . . . A . 97 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 1366 . 1 1 81 ARG O O -18.490 -1.991 10.729 . . . 1.0 . . . . . . . . . . . . A . 97 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 1367 . 1 1 81 ARG OXT O -19.165 -2.851 8.830 . . . 1.0 . . . . . . . . . . . . A . 97 ARG OXT . . . . . . . . . rr_2fyl 1 . 1 . 1368 . 2 2 1 SER C C 32.881 1.663 -2.309 . . . 1.0 . . . . . . . . . . . . B . 1 SER C . . . . . . . . . rr_2fyl 1 . 1 . 1369 . 2 2 1 SER CA C 33.844 2.718 -1.771 . . . 1.0 . . . . . . . . . . . . B . 1 SER CA . . . . . . . . . rr_2fyl 1 . 1 . 1370 . 2 2 1 SER CB C 33.139 3.600 -0.732 . . . 1.0 . . . . . . . . . . . . B . 1 SER CB . . . . . . . . . rr_2fyl 1 . 1 . 1371 . 2 2 1 SER H1 H 34.957 4.312 -2.506 . . . 1.0 . . . . . . . . . . . . B . 1 SER H1 . . . . . . . . . rr_2fyl 1 . 1 . 1372 . 2 2 1 SER H2 H 33.577 3.958 -3.416 . . . 1.0 . . . . . . . . . . . . B . 1 SER H2 . . . . . . . . . rr_2fyl 1 . 1 . 1373 . 2 2 1 SER H3 H 34.937 2.960 -3.524 . . . 1.0 . . . . . . . . . . . . B . 1 SER H3 . . . . . . . . . rr_2fyl 1 . 1 . 1374 . 2 2 1 SER HA H 34.678 2.220 -1.301 . . . 1.0 . . . . . . . . . . . . B . 1 SER HA . . . . . . . . . rr_2fyl 1 . 1 . 1375 . 2 2 1 SER HB2 H 33.737 4.476 -0.536 . . . 1.0 . . . . . . . . . . . . B . 1 SER HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1376 . 2 2 1 SER HB3 H 32.174 3.902 -1.114 . . . 1.0 . . . . . . . . . . . . B . 1 SER HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1377 . 2 2 1 SER HG H 33.298 3.424 1.219 . . . 1.0 . . . . . . . . . . . . B . 1 SER HG . . . . . . . . . rr_2fyl 1 . 1 . 1378 . 2 2 1 SER N N 34.365 3.545 -2.880 . . . 1.0 . . . . . . . . . . . . B . 1 SER N . . . . . . . . . rr_2fyl 1 . 1 . 1379 . 2 2 1 SER O O 32.626 1.602 -3.514 . . . 1.0 . . . . . . . . . . . . B . 1 SER O . . . . . . . . . rr_2fyl 1 . 1 . 1380 . 2 2 1 SER OG O 32.946 2.902 0.488 . . . 1.0 . . . . . . . . . . . . B . 1 SER OG . . . . . . . . . rr_2fyl 1 . 1 . 1381 . 2 2 2 ALA C C 30.049 0.364 -2.033 . . . 1.0 . . . . . . . . . . . . B . 2 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 1382 . 2 2 2 ALA CA C 31.432 -0.221 -1.816 . . . 1.0 . . . . . . . . . . . . B . 2 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 1383 . 2 2 2 ALA CB C 31.397 -1.325 -0.772 . . . 1.0 . . . . . . . . . . . . B . 2 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 1384 . 2 2 2 ALA H H 32.615 0.912 -0.475 . . . 1.0 . . . . . . . . . . . . B . 2 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 1385 . 2 2 2 ALA HA H 31.777 -0.638 -2.739 . . . 1.0 . . . . . . . . . . . . B . 2 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 1386 . 2 2 2 ALA HB1 H 30.734 -2.112 -1.101 . . . 1.0 . . . . . . . . . . . . B . 2 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 1387 . 2 2 2 ALA HB2 H 31.042 -0.923 0.164 . . . 1.0 . . . . . . . . . . . . B . 2 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1388 . 2 2 2 ALA HB3 H 32.391 -1.724 -0.639 . . . 1.0 . . . . . . . . . . . . B . 2 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1389 . 2 2 2 ALA N N 32.363 0.824 -1.421 . . . 1.0 . . . . . . . . . . . . B . 2 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 1390 . 2 2 2 ALA O O 29.445 0.190 -3.094 . . . 1.0 . . . . . . . . . . . . B . 2 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 1391 . 2 2 3 ARG C C 27.151 0.701 -1.363 . . . 1.0 . . . . . . . . . . . . B . 3 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 1392 . 2 2 3 ARG CA C 28.257 1.709 -1.046 . . . 1.0 . . . . . . . . . . . . B . 3 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 1393 . 2 2 3 ARG CB C 28.261 2.832 -2.095 . . . 1.0 . . . . . . . . . . . . B . 3 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 1394 . 2 2 3 ARG CD C 28.046 5.024 -0.897 . . . 1.0 . . . . . . . . . . . . B . 3 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 1395 . 2 2 3 ARG CG C 27.342 3.997 -1.762 . . . 1.0 . . . . . . . . . . . . B . 3 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 1396 . 2 2 3 ARG CZ C 27.016 7.237 -1.243 . . . 1.0 . . . . . . . . . . . . B . 3 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 1397 . 2 2 3 ARG H H 30.115 1.131 -0.205 . . . 1.0 . . . . . . . . . . . . B . 3 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 1398 . 2 2 3 ARG HA H 28.073 2.137 -0.072 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 1399 . 2 2 3 ARG HB2 H 29.267 3.216 -2.192 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1400 . 2 2 3 ARG HB3 H 27.954 2.420 -3.046 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1401 . 2 2 3 ARG HD2 H 28.398 4.541 0.002 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1402 . 2 2 3 ARG HD3 H 28.888 5.421 -1.445 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1403 . 2 2 3 ARG HE H 26.636 6.017 0.296 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 1404 . 2 2 3 ARG HG2 H 27.024 4.474 -2.682 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1405 . 2 2 3 ARG HG3 H 26.475 3.625 -1.232 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1406 . 2 2 3 ARG HH11 H 28.344 6.706 -2.679 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 1407 . 2 2 3 ARG HH12 H 27.604 8.258 -2.896 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 1408 . 2 2 3 ARG HH21 H 25.638 8.043 0.001 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 1409 . 2 2 3 ARG HH22 H 26.067 9.024 -1.368 . . . 1.0 . . . . . . . . . . . . B . 3 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 1410 . 2 2 3 ARG N N 29.567 1.057 -1.012 . . . 1.0 . . . . . . . . . . . . B . 3 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 1411 . 2 2 3 ARG NE N 27.160 6.123 -0.530 . . . 1.0 . . . . . . . . . . . . B . 3 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 1412 . 2 2 3 ARG NH1 N 27.710 7.413 -2.361 . . . 1.0 . . . . . . . . . . . . B . 3 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 1413 . 2 2 3 ARG NH2 N 26.172 8.176 -0.838 . . . 1.0 . . . . . . . . . . . . B . 3 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 1414 . 2 2 3 ARG O O 26.182 1.025 -2.050 . . . 1.0 . . . . . . . . . . . . B . 3 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 1415 . 2 2 4 THR C C 25.588 -2.028 0.137 . . . 1.0 . . . . . . . . . . . . B . 4 THR C . . . . . . . . . rr_2fyl 1 . 1 . 1416 . 2 2 4 THR CA C 26.309 -1.560 -1.121 . . . 1.0 . . . . . . . . . . . . B . 4 THR CA . . . . . . . . . rr_2fyl 1 . 1 . 1417 . 2 2 4 THR CB C 26.968 -2.767 -1.805 . . . 1.0 . . . . . . . . . . . . B . 4 THR CB . . . . . . . . . rr_2fyl 1 . 1 . 1418 . 2 2 4 THR CG2 C 26.798 -2.695 -3.311 . . . 1.0 . . . . . . . . . . . . B . 4 THR CG2 . . . . . . . . . rr_2fyl 1 . 1 . 1419 . 2 2 4 THR H H 28.079 -0.727 -0.314 . . . 1.0 . . . . . . . . . . . . B . 4 THR H . . . . . . . . . rr_2fyl 1 . 1 . 1420 . 2 2 4 THR HA H 25.579 -1.153 -1.802 . . . 1.0 . . . . . . . . . . . . B . 4 THR HA . . . . . . . . . rr_2fyl 1 . 1 . 1421 . 2 2 4 THR HB H 26.492 -3.669 -1.446 . . . 1.0 . . . . . . . . . . . . B . 4 THR HB . . . . . . . . . rr_2fyl 1 . 1 . 1422 . 2 2 4 THR HG1 H 28.885 -2.696 -2.283 . . . 1.0 . . . . . . . . . . . . B . 4 THR HG1 . . . . . . . . . rr_2fyl 1 . 1 . 1423 . 2 2 4 THR HG21 H 27.225 -1.772 -3.677 . . . 1.0 . . . . . . . . . . . . B . 4 THR HG21 . . . . . . . . . rr_2fyl 1 . 1 . 1424 . 2 2 4 THR HG22 H 25.748 -2.727 -3.557 . . . 1.0 . . . . . . . . . . . . B . 4 THR HG22 . . . . . . . . . rr_2fyl 1 . 1 . 1425 . 2 2 4 THR HG23 H 27.302 -3.532 -3.771 . . . 1.0 . . . . . . . . . . . . B . 4 THR HG23 . . . . . . . . . rr_2fyl 1 . 1 . 1426 . 2 2 4 THR N N 27.293 -0.519 -0.858 . . . 1.0 . . . . . . . . . . . . B . 4 THR N . . . . . . . . . rr_2fyl 1 . 1 . 1427 . 2 2 4 THR O O 24.607 -2.770 0.046 . . . 1.0 . . . . . . . . . . . . B . 4 THR O . . . . . . . . . rr_2fyl 1 . 1 . 1428 . 2 2 4 THR OG1 O 28.366 -2.807 -1.479 . . . 1.0 . . . . . . . . . . . . B . 4 THR OG1 . . . . . . . . . rr_2fyl 1 . 1 . 1429 . 2 2 5 CYS C C 25.752 -3.443 2.911 . . . 1.0 . . . . . . . . . . . . B . 5 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 1430 . 2 2 5 CYS CA C 25.478 -1.961 2.589 . . . 1.0 . . . . . . . . . . . . B . 5 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1431 . 2 2 5 CYS CB C 23.969 -1.668 2.598 . . . 1.0 . . . . . . . . . . . . B . 5 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1432 . 2 2 5 CYS H H 26.846 -0.993 1.288 . . . 1.0 . . . . . . . . . . . . B . 5 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 1433 . 2 2 5 CYS HA H 25.946 -1.353 3.346 . . . 1.0 . . . . . . . . . . . . B . 5 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1434 . 2 2 5 CYS HB2 H 23.748 -0.940 1.831 . . . 1.0 . . . . . . . . . . . . B . 5 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1435 . 2 2 5 CYS HB3 H 23.432 -2.581 2.386 . . . 1.0 . . . . . . . . . . . . B . 5 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1436 . 2 2 5 CYS N N 26.068 -1.587 1.299 . . . 1.0 . . . . . . . . . . . . B . 5 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 1437 . 2 2 5 CYS O O 25.901 -4.266 2.002 . . . 1.0 . . . . . . . . . . . . B . 5 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 1438 . 2 2 5 CYS SG S 23.345 -1.009 4.183 . . . 1.0 . . . . . . . . . . . . B . 5 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 1439 . 2 2 6 PRO C C 25.075 -6.165 4.118 . . . 1.0 . . . . . . . . . . . . B . 6 PRO C . . . . . . . . . rr_2fyl 1 . 1 . 1440 . 2 2 6 PRO CA C 26.127 -5.182 4.649 . . . 1.0 . . . . . . . . . . . . B . 6 PRO CA . . . . . . . . . rr_2fyl 1 . 1 . 1441 . 2 2 6 PRO CB C 26.053 -5.099 6.179 . . . 1.0 . . . . . . . . . . . . B . 6 PRO CB . . . . . . . . . rr_2fyl 1 . 1 . 1442 . 2 2 6 PRO CD C 25.818 -2.864 5.353 . . . 1.0 . . . . . . . . . . . . B . 6 PRO CD . . . . . . . . . rr_2fyl 1 . 1 . 1443 . 2 2 6 PRO CG C 26.339 -3.677 6.506 . . . 1.0 . . . . . . . . . . . . B . 6 PRO CG . . . . . . . . . rr_2fyl 1 . 1 . 1444 . 2 2 6 PRO HA H 27.110 -5.517 4.351 . . . 1.0 . . . . . . . . . . . . B . 6 PRO HA . . . . . . . . . rr_2fyl 1 . 1 . 1445 . 2 2 6 PRO HB2 H 25.068 -5.390 6.510 . . . 1.0 . . . . . . . . . . . . B . 6 PRO HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1446 . 2 2 6 PRO HB3 H 26.792 -5.757 6.614 . . . 1.0 . . . . . . . . . . . . B . 6 PRO HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1447 . 2 2 6 PRO HD2 H 24.802 -2.549 5.539 . . . 1.0 . . . . . . . . . . . . B . 6 PRO HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1448 . 2 2 6 PRO HD3 H 26.453 -2.008 5.184 . . . 1.0 . . . . . . . . . . . . B . 6 PRO HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1449 . 2 2 6 PRO HG2 H 25.827 -3.404 7.419 . . . 1.0 . . . . . . . . . . . . B . 6 PRO HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1450 . 2 2 6 PRO HG3 H 27.405 -3.532 6.617 . . . 1.0 . . . . . . . . . . . . B . 6 PRO HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1451 . 2 2 6 PRO N N 25.877 -3.794 4.212 . . . 1.0 . . . . . . . . . . . . B . 6 PRO N . . . . . . . . . rr_2fyl 1 . 1 . 1452 . 2 2 6 PRO O O 23.955 -5.766 3.812 . . . 1.0 . . . . . . . . . . . . B . 6 PRO O . . . . . . . . . rr_2fyl 1 . 1 . 1453 . 2 2 7 PRO C C 23.198 -8.640 4.307 . . . 1.0 . . . . . . . . . . . . B . 7 PRO C . . . . . . . . . rr_2fyl 1 . 1 . 1454 . 2 2 7 PRO CA C 24.510 -8.516 3.528 . . . 1.0 . . . . . . . . . . . . B . 7 PRO CA . . . . . . . . . rr_2fyl 1 . 1 . 1455 . 2 2 7 PRO CB C 25.329 -9.806 3.670 . . . 1.0 . . . . . . . . . . . . B . 7 PRO CB . . . . . . . . . rr_2fyl 1 . 1 . 1456 . 2 2 7 PRO CD C 26.720 -8.023 4.428 . . . 1.0 . . . . . . . . . . . . B . 7 PRO CD . . . . . . . . . rr_2fyl 1 . 1 . 1457 . 2 2 7 PRO CG C 26.416 -9.478 4.635 . . . 1.0 . . . . . . . . . . . . B . 7 PRO CG . . . . . . . . . rr_2fyl 1 . 1 . 1458 . 2 2 7 PRO HA H 24.281 -8.356 2.484 . . . 1.0 . . . . . . . . . . . . B . 7 PRO HA . . . . . . . . . rr_2fyl 1 . 1 . 1459 . 2 2 7 PRO HB2 H 24.694 -10.596 4.044 . . . 1.0 . . . . . . . . . . . . B . 7 PRO HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1460 . 2 2 7 PRO HB3 H 25.729 -10.086 2.708 . . . 1.0 . . . . . . . . . . . . B . 7 PRO HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1461 . 2 2 7 PRO HD2 H 27.074 -7.577 5.346 . . . 1.0 . . . . . . . . . . . . B . 7 PRO HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1462 . 2 2 7 PRO HD3 H 27.444 -7.896 3.639 . . . 1.0 . . . . . . . . . . . . B . 7 PRO HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1463 . 2 2 7 PRO HG2 H 26.076 -9.651 5.645 . . . 1.0 . . . . . . . . . . . . B . 7 PRO HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1464 . 2 2 7 PRO HG3 H 27.289 -10.078 4.424 . . . 1.0 . . . . . . . . . . . . B . 7 PRO HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1465 . 2 2 7 PRO N N 25.416 -7.466 4.037 . . . 1.0 . . . . . . . . . . . . B . 7 PRO N . . . . . . . . . rr_2fyl 1 . 1 . 1466 . 2 2 7 PRO O O 22.224 -9.208 3.808 . . . 1.0 . . . . . . . . . . . . B . 7 PRO O . . . . . . . . . rr_2fyl 1 . 1 . 1467 . 2 2 8 ASN C C 20.996 -7.097 5.917 . . . 1.0 . . . . . . . . . . . . B . 8 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 1468 . 2 2 8 ASN CA C 21.976 -8.176 6.360 . . . 1.0 . . . . . . . . . . . . B . 8 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 1469 . 2 2 8 ASN CB C 22.325 -7.969 7.833 . . . 1.0 . . . . . . . . . . . . B . 8 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 1470 . 2 2 8 ASN CG C 21.390 -8.703 8.781 . . . 1.0 . . . . . . . . . . . . B . 8 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 1471 . 2 2 8 ASN H H 23.995 -7.723 5.892 . . . 1.0 . . . . . . . . . . . . B . 8 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 1472 . 2 2 8 ASN HA H 21.517 -9.144 6.233 . . . 1.0 . . . . . . . . . . . . B . 8 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 1473 . 2 2 8 ASN HB2 H 23.328 -8.317 8.011 . . . 1.0 . . . . . . . . . . . . B . 8 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1474 . 2 2 8 ASN HB3 H 22.269 -6.912 8.055 . . . 1.0 . . . . . . . . . . . . B . 8 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1475 . 2 2 8 ASN HD21 H 19.832 -8.334 7.602 . . . 1.0 . . . . . . . . . . . . B . 8 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 1476 . 2 2 8 ASN HD22 H 19.500 -9.237 9.043 . . . 1.0 . . . . . . . . . . . . B . 8 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 1477 . 2 2 8 ASN N N 23.180 -8.131 5.533 . . . 1.0 . . . . . . . . . . . . B . 8 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 1478 . 2 2 8 ASN ND2 N 20.114 -8.765 8.443 . . . 1.0 . . . . . . . . . . . . B . 8 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 1479 . 2 2 8 ASN O O 19.835 -7.083 6.315 . . . 1.0 . . . . . . . . . . . . B . 8 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 1480 . 2 2 8 ASN OD1 O 21.814 -9.200 9.826 . . . 1.0 . . . . . . . . . . . . B . 8 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1481 . 2 2 9 GLN C C 20.945 -4.954 3.092 . . . 1.0 . . . . . . . . . . . . B . 9 GLN C . . . . . . . . . rr_2fyl 1 . 1 . 1482 . 2 2 9 GLN CA C 20.690 -5.099 4.586 . . . 1.0 . . . . . . . . . . . . B . 9 GLN CA . . . . . . . . . rr_2fyl 1 . 1 . 1483 . 2 2 9 GLN CB C 20.997 -3.795 5.337 . . . 1.0 . . . . . . . . . . . . B . 9 GLN CB . . . . . . . . . rr_2fyl 1 . 1 . 1484 . 2 2 9 GLN CD C 22.517 -3.917 7.362 . . . 1.0 . . . . . . . . . . . . B . 9 GLN CD . . . . . . . . . rr_2fyl 1 . 1 . 1485 . 2 2 9 GLN CG C 22.419 -3.698 5.862 . . . 1.0 . . . . . . . . . . . . B . 9 GLN CG . . . . . . . . . rr_2fyl 1 . 1 . 1486 . 2 2 9 GLN H H 22.410 -6.274 4.796 . . . 1.0 . . . . . . . . . . . . B . 9 GLN H . . . . . . . . . rr_2fyl 1 . 1 . 1487 . 2 2 9 GLN HA H 19.651 -5.354 4.733 . . . 1.0 . . . . . . . . . . . . B . 9 GLN HA . . . . . . . . . rr_2fyl 1 . 1 . 1488 . 2 2 9 GLN HB2 H 20.829 -2.963 4.672 . . . 1.0 . . . . . . . . . . . . B . 9 GLN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1489 . 2 2 9 GLN HB3 H 20.322 -3.711 6.177 . . . 1.0 . . . . . . . . . . . . B . 9 GLN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1490 . 2 2 9 GLN HE21 H 20.922 -5.094 7.331 . . . 1.0 . . . . . . . . . . . . B . 9 GLN HE21 . . . . . . . . . rr_2fyl 1 . 1 . 1491 . 2 2 9 GLN HE22 H 21.658 -4.867 8.877 . . . 1.0 . . . . . . . . . . . . B . 9 GLN HE22 . . . . . . . . . rr_2fyl 1 . 1 . 1492 . 2 2 9 GLN HG2 H 23.023 -4.445 5.367 . . . 1.0 . . . . . . . . . . . . B . 9 GLN HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1493 . 2 2 9 GLN HG3 H 22.804 -2.716 5.631 . . . 1.0 . . . . . . . . . . . . B . 9 GLN HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1494 . 2 2 9 GLN N N 21.485 -6.191 5.098 . . . 1.0 . . . . . . . . . . . . B . 9 GLN N . . . . . . . . . rr_2fyl 1 . 1 . 1495 . 2 2 9 GLN NE2 N 21.606 -4.701 7.911 . . . 1.0 . . . . . . . . . . . . B . 9 GLN NE2 . . . . . . . . . rr_2fyl 1 . 1 . 1496 . 2 2 9 GLN O O 21.473 -5.866 2.456 . . . 1.0 . . . . . . . . . . . . B . 9 GLN O . . . . . . . . . rr_2fyl 1 . 1 . 1497 . 2 2 9 GLN OE1 O 23.404 -3.376 8.021 . . . 1.0 . . . . . . . . . . . . B . 9 GLN OE1 . . . . . . . . . rr_2fyl 1 . 1 . 1498 . 2 2 10 PHE C C 20.891 -2.088 0.859 . . . 1.0 . . . . . . . . . . . . B . 10 PHE C . . . . . . . . . rr_2fyl 1 . 1 . 1499 . 2 2 10 PHE CA C 20.745 -3.588 1.119 . . . 1.0 . . . . . . . . . . . . B . 10 PHE CA . . . . . . . . . rr_2fyl 1 . 1 . 1500 . 2 2 10 PHE CB C 19.530 -4.216 0.412 . . . 1.0 . . . . . . . . . . . . B . 10 PHE CB . . . . . . . . . rr_2fyl 1 . 1 . 1501 . 2 2 10 PHE CD1 C 19.834 -4.040 -2.079 . . . 1.0 . . . . . . . . . . . . B . 10 PHE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1502 . 2 2 10 PHE CD2 C 18.141 -2.738 -1.026 . . . 1.0 . . . . . . . . . . . . B . 10 PHE CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1503 . 2 2 10 PHE CE1 C 19.468 -3.526 -3.309 . . . 1.0 . . . . . . . . . . . . B . 10 PHE CE1 . . . . . . . . . rr_2fyl 1 . 1 . 1504 . 2 2 10 PHE CE2 C 17.775 -2.222 -2.241 . . . 1.0 . . . . . . . . . . . . B . 10 PHE CE2 . . . . . . . . . rr_2fyl 1 . 1 . 1505 . 2 2 10 PHE CG C 19.171 -3.647 -0.925 . . . 1.0 . . . . . . . . . . . . B . 10 PHE CG . . . . . . . . . rr_2fyl 1 . 1 . 1506 . 2 2 10 PHE CZ C 18.435 -2.614 -3.388 . . . 1.0 . . . . . . . . . . . . B . 10 PHE CZ . . . . . . . . . rr_2fyl 1 . 1 . 1507 . 2 2 10 PHE H H 20.203 -3.113 3.097 . . . 1.0 . . . . . . . . . . . . B . 10 PHE H . . . . . . . . . rr_2fyl 1 . 1 . 1508 . 2 2 10 PHE HA H 21.643 -4.092 0.794 . . . 1.0 . . . . . . . . . . . . B . 10 PHE HA . . . . . . . . . rr_2fyl 1 . 1 . 1509 . 2 2 10 PHE HB2 H 19.721 -5.267 0.271 . . . 1.0 . . . . . . . . . . . . B . 10 PHE HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1510 . 2 2 10 PHE HB3 H 18.667 -4.107 1.055 . . . 1.0 . . . . . . . . . . . . B . 10 PHE HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1511 . 2 2 10 PHE HD1 H 20.642 -4.754 -2.010 . . . 1.0 . . . . . . . . . . . . B . 10 PHE HD1 . . . . . . . . . rr_2fyl 1 . 1 . 1512 . 2 2 10 PHE HD2 H 17.619 -2.425 -0.131 . . . 1.0 . . . . . . . . . . . . B . 10 PHE HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1513 . 2 2 10 PHE HE1 H 19.989 -3.835 -4.204 . . . 1.0 . . . . . . . . . . . . B . 10 PHE HE1 . . . . . . . . . rr_2fyl 1 . 1 . 1514 . 2 2 10 PHE HE2 H 16.966 -1.512 -2.298 . . . 1.0 . . . . . . . . . . . . B . 10 PHE HE2 . . . . . . . . . rr_2fyl 1 . 1 . 1515 . 2 2 10 PHE HZ H 18.140 -2.202 -4.346 . . . 1.0 . . . . . . . . . . . . B . 10 PHE HZ . . . . . . . . . rr_2fyl 1 . 1 . 1516 . 2 2 10 PHE N N 20.589 -3.821 2.538 . . . 1.0 . . . . . . . . . . . . B . 10 PHE N . . . . . . . . . rr_2fyl 1 . 1 . 1517 . 2 2 10 PHE O O 20.548 -1.272 1.715 . . . 1.0 . . . . . . . . . . . . B . 10 PHE O . . . . . . . . . rr_2fyl 1 . 1 . 1518 . 2 2 11 SER C C 20.600 0.180 -1.642 . . . 1.0 . . . . . . . . . . . . B . 11 SER C . . . . . . . . . rr_2fyl 1 . 1 . 1519 . 2 2 11 SER CA C 21.612 -0.331 -0.631 . . . 1.0 . . . . . . . . . . . . B . 11 SER CA . . . . . . . . . rr_2fyl 1 . 1 . 1520 . 2 2 11 SER CB C 23.022 -0.145 -1.191 . . . 1.0 . . . . . . . . . . . . B . 11 SER CB . . . . . . . . . rr_2fyl 1 . 1 . 1521 . 2 2 11 SER H H 21.637 -2.395 -0.958 . . . 1.0 . . . . . . . . . . . . B . 11 SER H . . . . . . . . . rr_2fyl 1 . 1 . 1522 . 2 2 11 SER HA H 21.519 0.231 0.275 . . . 1.0 . . . . . . . . . . . . B . 11 SER HA . . . . . . . . . rr_2fyl 1 . 1 . 1523 . 2 2 11 SER HB2 H 23.150 0.880 -1.506 . . . 1.0 . . . . . . . . . . . . B . 11 SER HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1524 . 2 2 11 SER HB3 H 23.748 -0.381 -0.425 . . . 1.0 . . . . . . . . . . . . B . 11 SER HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1525 . 2 2 11 SER HG H 22.609 -0.770 -3.005 . . . 1.0 . . . . . . . . . . . . B . 11 SER HG . . . . . . . . . rr_2fyl 1 . 1 . 1526 . 2 2 11 SER N N 21.398 -1.722 -0.306 . . . 1.0 . . . . . . . . . . . . B . 11 SER N . . . . . . . . . rr_2fyl 1 . 1 . 1527 . 2 2 11 SER O O 20.475 -0.367 -2.737 . . . 1.0 . . . . . . . . . . . . B . 11 SER O . . . . . . . . . rr_2fyl 1 . 1 . 1528 . 2 2 11 SER OG O 23.237 -0.998 -2.306 . . . 1.0 . . . . . . . . . . . . B . 11 SER OG . . . . . . . . . rr_2fyl 1 . 1 . 1529 . 2 2 12 CYS C C 19.636 2.508 -3.323 . . . 1.0 . . . . . . . . . . . . B . 12 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 1530 . 2 2 12 CYS CA C 18.897 1.828 -2.160 . . . 1.0 . . . . . . . . . . . . B . 12 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1531 . 2 2 12 CYS CB C 17.984 2.799 -1.372 . . . 1.0 . . . . . . . . . . . . B . 12 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1532 . 2 2 12 CYS H H 19.981 1.584 -0.365 . . . 1.0 . . . . . . . . . . . . B . 12 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 1533 . 2 2 12 CYS HA H 18.296 1.030 -2.557 . . . 1.0 . . . . . . . . . . . . B . 12 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1534 . 2 2 12 CYS HB2 H 17.178 2.232 -0.935 . . . 1.0 . . . . . . . . . . . . B . 12 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1535 . 2 2 12 CYS HB3 H 18.558 3.239 -0.579 . . . 1.0 . . . . . . . . . . . . B . 12 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1536 . 2 2 12 CYS N N 19.870 1.223 -1.266 . . . 1.0 . . . . . . . . . . . . B . 12 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 1537 . 2 2 12 CYS O O 20.865 2.584 -3.310 . . . 1.0 . . . . . . . . . . . . B . 12 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 1538 . 2 2 12 CYS SG S 17.219 4.167 -2.324 . . . 1.0 . . . . . . . . . . . . B . 12 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 1539 . 2 2 13 ALA C C 20.756 4.284 -5.405 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 1540 . 2 2 13 ALA CA C 19.371 3.661 -5.508 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 1541 . 2 2 13 ALA CB C 18.371 4.725 -5.931 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 1542 . 2 2 13 ALA H H 17.897 2.897 -4.197 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 1543 . 2 2 13 ALA HA H 19.402 2.938 -6.282 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 1544 . 2 2 13 ALA HB1 H 17.402 4.272 -6.073 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 1545 . 2 2 13 ALA HB2 H 18.695 5.180 -6.856 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1546 . 2 2 13 ALA HB3 H 18.304 5.481 -5.158 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1547 . 2 2 13 ALA N N 18.873 3.005 -4.289 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 1548 . 2 2 13 ALA O O 21.721 3.758 -5.960 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 1549 . 2 2 14 SER C C 23.086 5.511 -3.548 . . . 1.0 . . . . . . . . . . . . B . 14 SER C . . . . . . . . . rr_2fyl 1 . 1 . 1550 . 2 2 14 SER CA C 22.111 6.104 -4.572 . . . 1.0 . . . . . . . . . . . . B . 14 SER CA . . . . . . . . . rr_2fyl 1 . 1 . 1551 . 2 2 14 SER CB C 21.787 7.544 -4.227 . . . 1.0 . . . . . . . . . . . . B . 14 SER CB . . . . . . . . . rr_2fyl 1 . 1 . 1552 . 2 2 14 SER H H 20.064 5.710 -4.230 . . . 1.0 . . . . . . . . . . . . B . 14 SER H . . . . . . . . . rr_2fyl 1 . 1 . 1553 . 2 2 14 SER HA H 22.587 6.088 -5.541 . . . 1.0 . . . . . . . . . . . . B . 14 SER HA . . . . . . . . . rr_2fyl 1 . 1 . 1554 . 2 2 14 SER HB2 H 22.689 8.050 -3.922 . . . 1.0 . . . . . . . . . . . . B . 14 SER HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1555 . 2 2 14 SER HB3 H 21.374 8.021 -5.101 . . . 1.0 . . . . . . . . . . . . B . 14 SER HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1556 . 2 2 14 SER HG H 21.224 8.097 -2.433 . . . 1.0 . . . . . . . . . . . . B . 14 SER HG . . . . . . . . . rr_2fyl 1 . 1 . 1557 . 2 2 14 SER N N 20.856 5.375 -4.690 . . . 1.0 . . . . . . . . . . . . B . 14 SER N . . . . . . . . . rr_2fyl 1 . 1 . 1558 . 2 2 14 SER O O 23.842 6.248 -2.908 . . . 1.0 . . . . . . . . . . . . B . 14 SER O . . . . . . . . . rr_2fyl 1 . 1 . 1559 . 2 2 14 SER OG O 20.837 7.612 -3.176 . . . 1.0 . . . . . . . . . . . . B . 14 SER OG . . . . . . . . . rr_2fyl 1 . 1 . 1560 . 2 2 15 GLY C C 23.655 3.853 -1.038 . . . 1.0 . . . . . . . . . . . . B . 15 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 1561 . 2 2 15 GLY CA C 24.001 3.553 -2.482 . . . 1.0 . . . . . . . . . . . . B . 15 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 1562 . 2 2 15 GLY H H 22.479 3.649 -3.956 . . . 1.0 . . . . . . . . . . . . B . 15 GLY H . . . . . . . . . rr_2fyl 1 . 1 . 1563 . 2 2 15 GLY HA2 H 23.962 2.486 -2.636 . . . 1.0 . . . . . . . . . . . . B . 15 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 1564 . 2 2 15 GLY HA3 H 25.003 3.897 -2.680 . . . 1.0 . . . . . . . . . . . . B . 15 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 1565 . 2 2 15 GLY N N 23.095 4.194 -3.416 . . . 1.0 . . . . . . . . . . . . B . 15 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 1566 . 2 2 15 GLY O O 24.536 4.085 -0.208 . . . 1.0 . . . . . . . . . . . . B . 15 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 1567 . 2 2 16 ARG C C 21.905 2.842 1.406 . . . 1.0 . . . . . . . . . . . . B . 16 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 1568 . 2 2 16 ARG CA C 21.904 4.137 0.612 . . . 1.0 . . . . . . . . . . . . B . 16 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 1569 . 2 2 16 ARG CB C 20.509 4.767 0.594 . . . 1.0 . . . . . . . . . . . . B . 16 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 1570 . 2 2 16 ARG CD C 19.032 6.600 -0.312 . . . 1.0 . . . . . . . . . . . . B . 16 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 1571 . 2 2 16 ARG CG C 20.343 5.843 -0.470 . . . 1.0 . . . . . . . . . . . . B . 16 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 1572 . 2 2 16 ARG CZ C 18.513 8.598 1.052 . . . 1.0 . . . . . . . . . . . . B . 16 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 1573 . 2 2 16 ARG H H 21.715 3.707 -1.454 . . . 1.0 . . . . . . . . . . . . B . 16 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 1574 . 2 2 16 ARG HA H 22.591 4.821 1.079 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 1575 . 2 2 16 ARG HB2 H 19.783 3.997 0.418 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1576 . 2 2 16 ARG HB3 H 20.318 5.211 1.559 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1577 . 2 2 16 ARG HD2 H 18.922 7.283 -1.144 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1578 . 2 2 16 ARG HD3 H 18.218 5.890 -0.323 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1579 . 2 2 16 ARG HE H 19.346 6.917 1.742 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 1580 . 2 2 16 ARG HG2 H 21.161 6.542 -0.389 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1581 . 2 2 16 ARG HG3 H 20.362 5.376 -1.443 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1582 . 2 2 16 ARG HH11 H 18.027 8.790 -0.907 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 1583 . 2 2 16 ARG HH12 H 17.687 10.173 0.078 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 1584 . 2 2 16 ARG HH21 H 18.898 8.735 3.034 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 1585 . 2 2 16 ARG HH22 H 18.165 10.148 2.325 . . . 1.0 . . . . . . . . . . . . B . 16 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 1586 . 2 2 16 ARG N N 22.368 3.875 -0.743 . . . 1.0 . . . . . . . . . . . . B . 16 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 1587 . 2 2 16 ARG NE N 18.990 7.359 0.938 . . . 1.0 . . . . . . . . . . . . B . 16 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 1588 . 2 2 16 ARG NH1 N 18.038 9.236 -0.012 . . . 1.0 . . . . . . . . . . . . B . 16 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 1589 . 2 2 16 ARG NH2 N 18.530 9.205 2.230 . . . 1.0 . . . . . . . . . . . . B . 16 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 1590 . 2 2 16 ARG O O 22.620 1.904 1.068 . . . 1.0 . . . . . . . . . . . . B . 16 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 1591 . 2 2 17 CYS C C 19.639 1.351 3.797 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 1592 . 2 2 17 CYS CA C 21.046 1.589 3.272 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1593 . 2 2 17 CYS CB C 22.030 1.711 4.429 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1594 . 2 2 17 CYS H H 20.529 3.541 2.648 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 1595 . 2 2 17 CYS HA H 21.338 0.746 2.661 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1596 . 2 2 17 CYS HB2 H 22.170 2.755 4.657 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1597 . 2 2 17 CYS HB3 H 21.624 1.207 5.293 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1598 . 2 2 17 CYS N N 21.102 2.778 2.440 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 1599 . 2 2 17 CYS O O 19.025 2.235 4.406 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 1600 . 2 2 17 CYS SG S 23.671 0.993 4.079 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 1601 . 2 2 18 ILE C C 17.859 -1.732 4.298 . . . 1.0 . . . . . . . . . . . . B . 18 ILE C . . . . . . . . . rr_2fyl 1 . 1 . 1602 . 2 2 18 ILE CA C 17.798 -0.243 3.934 . . . 1.0 . . . . . . . . . . . . B . 18 ILE CA . . . . . . . . . rr_2fyl 1 . 1 . 1603 . 2 2 18 ILE CB C 16.743 -0.006 2.816 . . . 1.0 . . . . . . . . . . . . B . 18 ILE CB . . . . . . . . . rr_2fyl 1 . 1 . 1604 . 2 2 18 ILE CD1 C 15.813 -2.057 1.681 . . . 1.0 . . . . . . . . . . . . B . 18 ILE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1605 . 2 2 18 ILE CG1 C 16.902 -1.018 1.694 . . . 1.0 . . . . . . . . . . . . B . 18 ILE CG1 . . . . . . . . . rr_2fyl 1 . 1 . 1606 . 2 2 18 ILE CG2 C 16.866 1.388 2.230 . . . 1.0 . . . . . . . . . . . . B . 18 ILE CG2 . . . . . . . . . rr_2fyl 1 . 1 . 1607 . 2 2 18 ILE H H 19.645 -0.468 2.963 . . . 1.0 . . . . . . . . . . . . B . 18 ILE H . . . . . . . . . rr_2fyl 1 . 1 . 1608 . 2 2 18 ILE HA H 17.525 0.331 4.806 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HA . . . . . . . . . rr_2fyl 1 . 1 . 1609 . 2 2 18 ILE HB H 15.760 -0.107 3.249 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HB . . . . . . . . . rr_2fyl 1 . 1 . 1610 . 2 2 18 ILE HD11 H 16.039 -2.812 0.947 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HD11 . . . . . . . . . rr_2fyl 1 . 1 . 1611 . 2 2 18 ILE HD12 H 14.867 -1.589 1.442 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HD12 . . . . . . . . . rr_2fyl 1 . 1 . 1612 . 2 2 18 ILE HD13 H 15.753 -2.514 2.663 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HD13 . . . . . . . . . rr_2fyl 1 . 1 . 1613 . 2 2 18 ILE HG12 H 16.887 -0.502 0.745 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HG12 . . . . . . . . . rr_2fyl 1 . 1 . 1614 . 2 2 18 ILE HG13 H 17.849 -1.524 1.810 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HG13 . . . . . . . . . rr_2fyl 1 . 1 . 1615 . 2 2 18 ILE HG21 H 16.105 1.529 1.479 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HG21 . . . . . . . . . rr_2fyl 1 . 1 . 1616 . 2 2 18 ILE HG22 H 17.844 1.495 1.775 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HG22 . . . . . . . . . rr_2fyl 1 . 1 . 1617 . 2 2 18 ILE HG23 H 16.746 2.122 3.011 . . . 1.0 . . . . . . . . . . . . B . 18 ILE HG23 . . . . . . . . . rr_2fyl 1 . 1 . 1618 . 2 2 18 ILE N N 19.118 0.167 3.505 . . . 1.0 . . . . . . . . . . . . B . 18 ILE N . . . . . . . . . rr_2fyl 1 . 1 . 1619 . 2 2 18 ILE O O 18.647 -2.465 3.709 . . . 1.0 . . . . . . . . . . . . B . 18 ILE O . . . . . . . . . rr_2fyl 1 . 1 . 1620 . 2 2 19 PRO C C 16.662 -4.531 4.524 . . . 1.0 . . . . . . . . . . . . B . 19 PRO C . . . . . . . . . rr_2fyl 1 . 1 . 1621 . 2 2 19 PRO CA C 17.086 -3.619 5.677 . . . 1.0 . . . . . . . . . . . . B . 19 PRO CA . . . . . . . . . rr_2fyl 1 . 1 . 1622 . 2 2 19 PRO CB C 16.065 -3.683 6.819 . . . 1.0 . . . . . . . . . . . . B . 19 PRO CB . . . . . . . . . rr_2fyl 1 . 1 . 1623 . 2 2 19 PRO CD C 16.168 -1.403 6.116 . . . 1.0 . . . . . . . . . . . . B . 19 PRO CD . . . . . . . . . rr_2fyl 1 . 1 . 1624 . 2 2 19 PRO CG C 15.956 -2.283 7.315 . . . 1.0 . . . . . . . . . . . . B . 19 PRO CG . . . . . . . . . rr_2fyl 1 . 1 . 1625 . 2 2 19 PRO HA H 18.060 -3.929 6.036 . . . 1.0 . . . . . . . . . . . . B . 19 PRO HA . . . . . . . . . rr_2fyl 1 . 1 . 1626 . 2 2 19 PRO HB2 H 15.119 -4.042 6.438 . . . 1.0 . . . . . . . . . . . . B . 19 PRO HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1627 . 2 2 19 PRO HB3 H 16.424 -4.347 7.590 . . . 1.0 . . . . . . . . . . . . B . 19 PRO HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1628 . 2 2 19 PRO HD2 H 15.232 -1.231 5.603 . . . 1.0 . . . . . . . . . . . . B . 19 PRO HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1629 . 2 2 19 PRO HD3 H 16.622 -0.468 6.406 . . . 1.0 . . . . . . . . . . . . B . 19 PRO HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1630 . 2 2 19 PRO HG2 H 14.974 -2.118 7.734 . . . 1.0 . . . . . . . . . . . . B . 19 PRO HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1631 . 2 2 19 PRO HG3 H 16.716 -2.094 8.056 . . . 1.0 . . . . . . . . . . . . B . 19 PRO HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1632 . 2 2 19 PRO N N 17.084 -2.198 5.287 . . . 1.0 . . . . . . . . . . . . B . 19 PRO N . . . . . . . . . rr_2fyl 1 . 1 . 1633 . 2 2 19 PRO O O 15.755 -4.198 3.764 . . . 1.0 . . . . . . . . . . . . B . 19 PRO O . . . . . . . . . rr_2fyl 1 . 1 . 1634 . 2 2 20 ILE C C 15.524 -6.955 3.215 . . . 1.0 . . . . . . . . . . . . B . 20 ILE C . . . . . . . . . rr_2fyl 1 . 1 . 1635 . 2 2 20 ILE CA C 17.021 -6.652 3.345 . . . 1.0 . . . . . . . . . . . . B . 20 ILE CA . . . . . . . . . rr_2fyl 1 . 1 . 1636 . 2 2 20 ILE CB C 17.797 -7.975 3.584 . . . 1.0 . . . . . . . . . . . . B . 20 ILE CB . . . . . . . . . rr_2fyl 1 . 1 . 1637 . 2 2 20 ILE CD1 C 19.130 -7.939 1.407 . . . 1.0 . . . . . . . . . . . . B . 20 ILE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1638 . 2 2 20 ILE CG1 C 19.174 -7.918 2.923 . . . 1.0 . . . . . . . . . . . . B . 20 ILE CG1 . . . . . . . . . rr_2fyl 1 . 1 . 1639 . 2 2 20 ILE CG2 C 17.028 -9.189 3.080 . . . 1.0 . . . . . . . . . . . . B . 20 ILE CG2 . . . . . . . . . rr_2fyl 1 . 1 . 1640 . 2 2 20 ILE H H 17.984 -5.921 5.096 . . . 1.0 . . . . . . . . . . . . B . 20 ILE H . . . . . . . . . rr_2fyl 1 . 1 . 1641 . 2 2 20 ILE HA H 17.369 -6.221 2.419 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HA . . . . . . . . . rr_2fyl 1 . 1 . 1642 . 2 2 20 ILE HB H 17.926 -8.091 4.648 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HB . . . . . . . . . rr_2fyl 1 . 1 . 1643 . 2 2 20 ILE HD11 H 20.135 -7.882 1.016 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HD11 . . . . . . . . . rr_2fyl 1 . 1 . 1644 . 2 2 20 ILE HD12 H 18.558 -7.095 1.052 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HD12 . . . . . . . . . rr_2fyl 1 . 1 . 1645 . 2 2 20 ILE HD13 H 18.665 -8.854 1.072 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HD13 . . . . . . . . . rr_2fyl 1 . 1 . 1646 . 2 2 20 ILE HG12 H 19.675 -7.011 3.227 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HG12 . . . . . . . . . rr_2fyl 1 . 1 . 1647 . 2 2 20 ILE HG13 H 19.755 -8.769 3.250 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HG13 . . . . . . . . . rr_2fyl 1 . 1 . 1648 . 2 2 20 ILE HG21 H 16.905 -9.118 2.009 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HG21 . . . . . . . . . rr_2fyl 1 . 1 . 1649 . 2 2 20 ILE HG22 H 16.060 -9.224 3.553 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HG22 . . . . . . . . . rr_2fyl 1 . 1 . 1650 . 2 2 20 ILE HG23 H 17.580 -10.085 3.321 . . . 1.0 . . . . . . . . . . . . B . 20 ILE HG23 . . . . . . . . . rr_2fyl 1 . 1 . 1651 . 2 2 20 ILE N N 17.304 -5.690 4.418 . . . 1.0 . . . . . . . . . . . . B . 20 ILE N . . . . . . . . . rr_2fyl 1 . 1 . 1652 . 2 2 20 ILE O O 14.983 -7.006 2.106 . . . 1.0 . . . . . . . . . . . . B . 20 ILE O . . . . . . . . . rr_2fyl 1 . 1 . 1653 . 2 2 21 SER C C 12.530 -6.355 3.807 . . . 1.0 . . . . . . . . . . . . B . 21 SER C . . . . . . . . . rr_2fyl 1 . 1 . 1654 . 2 2 21 SER CA C 13.444 -7.442 4.393 . . . 1.0 . . . . . . . . . . . . B . 21 SER CA . . . . . . . . . rr_2fyl 1 . 1 . 1655 . 2 2 21 SER CB C 13.056 -7.719 5.843 . . . 1.0 . . . . . . . . . . . . B . 21 SER CB . . . . . . . . . rr_2fyl 1 . 1 . 1656 . 2 2 21 SER H H 15.345 -7.004 5.198 . . . 1.0 . . . . . . . . . . . . B . 21 SER H . . . . . . . . . rr_2fyl 1 . 1 . 1657 . 2 2 21 SER HA H 13.304 -8.345 3.824 . . . 1.0 . . . . . . . . . . . . B . 21 SER HA . . . . . . . . . rr_2fyl 1 . 1 . 1658 . 2 2 21 SER HB2 H 12.790 -6.791 6.323 . . . 1.0 . . . . . . . . . . . . B . 21 SER HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1659 . 2 2 21 SER HB3 H 12.216 -8.396 5.870 . . . 1.0 . . . . . . . . . . . . B . 21 SER HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1660 . 2 2 21 SER HG H 14.217 -7.878 7.412 . . . 1.0 . . . . . . . . . . . . B . 21 SER HG . . . . . . . . . rr_2fyl 1 . 1 . 1661 . 2 2 21 SER N N 14.862 -7.108 4.350 . . . 1.0 . . . . . . . . . . . . B . 21 SER N . . . . . . . . . rr_2fyl 1 . 1 . 1662 . 2 2 21 SER O O 11.320 -6.549 3.723 . . . 1.0 . . . . . . . . . . . . B . 21 SER O . . . . . . . . . rr_2fyl 1 . 1 . 1663 . 2 2 21 SER OG O 14.138 -8.303 6.551 . . . 1.0 . . . . . . . . . . . . B . 21 SER OG . . . . . . . . . rr_2fyl 1 . 1 . 1664 . 2 2 22 TRP C C 12.204 -4.215 1.321 . . . 1.0 . . . . . . . . . . . . B . 22 TRP C . . . . . . . . . rr_2fyl 1 . 1 . 1665 . 2 2 22 TRP CA C 12.279 -4.144 2.838 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CA . . . . . . . . . rr_2fyl 1 . 1 . 1666 . 2 2 22 TRP CB C 12.833 -2.774 3.234 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CB . . . . . . . . . rr_2fyl 1 . 1 . 1667 . 2 2 22 TRP CD1 C 12.543 -3.338 5.711 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1668 . 2 2 22 TRP CD2 C 12.741 -1.151 5.280 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1669 . 2 2 22 TRP CE2 C 12.591 -1.325 6.665 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CE2 . . . . . . . . . rr_2fyl 1 . 1 . 1670 . 2 2 22 TRP CE3 C 12.885 0.147 4.774 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CE3 . . . . . . . . . rr_2fyl 1 . 1 . 1671 . 2 2 22 TRP CG C 12.706 -2.455 4.688 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CG . . . . . . . . . rr_2fyl 1 . 1 . 1672 . 2 2 22 TRP CH2 C 12.723 1.004 7.032 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CH2 . . . . . . . . . rr_2fyl 1 . 1 . 1673 . 2 2 22 TRP CZ2 C 12.580 -0.253 7.553 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CZ2 . . . . . . . . . rr_2fyl 1 . 1 . 1674 . 2 2 22 TRP CZ3 C 12.875 1.210 5.656 . . . 1.0 . . . . . . . . . . . . B . 22 TRP CZ3 . . . . . . . . . rr_2fyl 1 . 1 . 1675 . 2 2 22 TRP H H 14.062 -5.106 3.486 . . . 1.0 . . . . . . . . . . . . B . 22 TRP H . . . . . . . . . rr_2fyl 1 . 1 . 1676 . 2 2 22 TRP HA H 11.285 -4.243 3.234 . . . 1.0 . . . . . . . . . . . . B . 22 TRP HA . . . . . . . . . rr_2fyl 1 . 1 . 1677 . 2 2 22 TRP HB2 H 13.877 -2.734 2.979 . . . 1.0 . . . . . . . . . . . . B . 22 TRP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1678 . 2 2 22 TRP HB3 H 12.306 -2.011 2.681 . . . 1.0 . . . . . . . . . . . . B . 22 TRP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1679 . 2 2 22 TRP HD1 H 12.479 -4.411 5.586 . . . 1.0 . . . . . . . . . . . . B . 22 TRP HD1 . . . . . . . . . rr_2fyl 1 . 1 . 1680 . 2 2 22 TRP HE1 H 12.361 -3.085 7.771 . . . 1.0 . . . . . . . . . . . . B . 22 TRP HE1 . . . . . . . . . rr_2fyl 1 . 1 . 1681 . 2 2 22 TRP HE3 H 13.004 0.324 3.715 . . . 1.0 . . . . . . . . . . . . B . 22 TRP HE3 . . . . . . . . . rr_2fyl 1 . 1 . 1682 . 2 2 22 TRP HH2 H 12.720 1.862 7.685 . . . 1.0 . . . . . . . . . . . . B . 22 TRP HH2 . . . . . . . . . rr_2fyl 1 . 1 . 1683 . 2 2 22 TRP HZ2 H 12.464 -0.394 8.617 . . . 1.0 . . . . . . . . . . . . B . 22 TRP HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 1684 . 2 2 22 TRP HZ3 H 12.985 2.219 5.286 . . . 1.0 . . . . . . . . . . . . B . 22 TRP HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 1685 . 2 2 22 TRP N N 13.091 -5.225 3.399 . . . 1.0 . . . . . . . . . . . . B . 22 TRP N . . . . . . . . . rr_2fyl 1 . 1 . 1686 . 2 2 22 TRP NE1 N 12.475 -2.669 6.899 . . . 1.0 . . . . . . . . . . . . B . 22 TRP NE1 . . . . . . . . . rr_2fyl 1 . 1 . 1687 . 2 2 22 TRP O O 11.307 -3.624 0.720 . . . 1.0 . . . . . . . . . . . . B . 22 TRP O . . . . . . . . . rr_2fyl 1 . 1 . 1688 . 2 2 23 THR C C 11.839 -5.587 -1.293 . . . 1.0 . . . . . . . . . . . . B . 23 THR C . . . . . . . . . rr_2fyl 1 . 1 . 1689 . 2 2 23 THR CA C 13.156 -5.056 -0.746 . . . 1.0 . . . . . . . . . . . . B . 23 THR CA . . . . . . . . . rr_2fyl 1 . 1 . 1690 . 2 2 23 THR CB C 14.325 -5.951 -1.222 . . . 1.0 . . . . . . . . . . . . B . 23 THR CB . . . . . . . . . rr_2fyl 1 . 1 . 1691 . 2 2 23 THR CG2 C 15.659 -5.238 -1.052 . . . 1.0 . . . . . . . . . . . . B . 23 THR CG2 . . . . . . . . . rr_2fyl 1 . 1 . 1692 . 2 2 23 THR H H 13.743 -5.478 1.236 . . . 1.0 . . . . . . . . . . . . B . 23 THR H . . . . . . . . . rr_2fyl 1 . 1 . 1693 . 2 2 23 THR HA H 13.314 -4.065 -1.139 . . . 1.0 . . . . . . . . . . . . B . 23 THR HA . . . . . . . . . rr_2fyl 1 . 1 . 1694 . 2 2 23 THR HB H 14.184 -6.168 -2.270 . . . 1.0 . . . . . . . . . . . . B . 23 THR HB . . . . . . . . . rr_2fyl 1 . 1 . 1695 . 2 2 23 THR HG1 H 14.561 -7.013 0.442 . . . 1.0 . . . . . . . . . . . . B . 23 THR HG1 . . . . . . . . . rr_2fyl 1 . 1 . 1696 . 2 2 23 THR HG21 H 15.685 -4.366 -1.689 . . . 1.0 . . . . . . . . . . . . B . 23 THR HG21 . . . . . . . . . rr_2fyl 1 . 1 . 1697 . 2 2 23 THR HG22 H 16.461 -5.908 -1.324 . . . 1.0 . . . . . . . . . . . . B . 23 THR HG22 . . . . . . . . . rr_2fyl 1 . 1 . 1698 . 2 2 23 THR HG23 H 15.776 -4.936 -0.022 . . . 1.0 . . . . . . . . . . . . B . 23 THR HG23 . . . . . . . . . rr_2fyl 1 . 1 . 1699 . 2 2 23 THR N N 13.114 -4.957 0.706 . . . 1.0 . . . . . . . . . . . . B . 23 THR N . . . . . . . . . rr_2fyl 1 . 1 . 1700 . 2 2 23 THR O O 10.853 -4.846 -1.421 . . . 1.0 . . . . . . . . . . . . B . 23 THR O . . . . . . . . . rr_2fyl 1 . 1 . 1701 . 2 2 23 THR OG1 O 14.349 -7.189 -0.490 . . . 1.0 . . . . . . . . . . . . B . 23 THR OG1 . . . . . . . . . rr_2fyl 1 . 1 . 1702 . 2 2 24 CYS C C 9.779 -7.972 -0.949 . . . 1.0 . . . . . . . . . . . . B . 24 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 1703 . 2 2 24 CYS CA C 10.666 -7.533 -2.104 . . . 1.0 . . . . . . . . . . . . B . 24 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1704 . 2 2 24 CYS CB C 11.103 -8.742 -2.906 . . . 1.0 . . . . . . . . . . . . B . 24 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1705 . 2 2 24 CYS H H 12.644 -7.376 -1.454 . . . 1.0 . . . . . . . . . . . . B . 24 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 1706 . 2 2 24 CYS HA H 10.140 -6.853 -2.746 . . . 1.0 . . . . . . . . . . . . B . 24 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1707 . 2 2 24 CYS HB2 H 12.056 -9.079 -2.519 . . . 1.0 . . . . . . . . . . . . B . 24 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1708 . 2 2 24 CYS HB3 H 10.372 -9.527 -2.791 . . . 1.0 . . . . . . . . . . . . B . 24 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1709 . 2 2 24 CYS N N 11.830 -6.863 -1.590 . . . 1.0 . . . . . . . . . . . . B . 24 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 1710 . 2 2 24 CYS O O 9.998 -9.037 -0.369 . . . 1.0 . . . . . . . . . . . . B . 24 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 1711 . 2 2 24 CYS SG S 11.307 -8.418 -4.685 . . . 1.0 . . . . . . . . . . . . B . 24 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 1712 . 2 2 25 ASP C C 6.478 -7.091 0.220 . . . 1.0 . . . . . . . . . . . . B . 25 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 1713 . 2 2 25 ASP CA C 7.922 -7.482 0.516 . . . 1.0 . . . . . . . . . . . . B . 25 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 1714 . 2 2 25 ASP CB C 8.417 -6.805 1.813 . . . 1.0 . . . . . . . . . . . . B . 25 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 1715 . 2 2 25 ASP CG C 8.255 -5.288 1.830 . . . 1.0 . . . . . . . . . . . . B . 25 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 1716 . 2 2 25 ASP H H 8.663 -6.317 -1.097 . . . 1.0 . . . . . . . . . . . . B . 25 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 1717 . 2 2 25 ASP HA H 7.959 -8.552 0.654 . . . 1.0 . . . . . . . . . . . . B . 25 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 1718 . 2 2 25 ASP HB2 H 7.863 -7.205 2.647 . . . 1.0 . . . . . . . . . . . . B . 25 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1719 . 2 2 25 ASP HB3 H 9.465 -7.036 1.946 . . . 1.0 . . . . . . . . . . . . B . 25 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1720 . 2 2 25 ASP N N 8.803 -7.155 -0.596 . . . 1.0 . . . . . . . . . . . . B . 25 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 1721 . 2 2 25 ASP O O 5.575 -7.924 0.318 . . . 1.0 . . . . . . . . . . . . B . 25 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 1722 . 2 2 25 ASP OD1 O 8.566 -4.631 0.808 . . . 1.0 . . . . . . . . . . . . B . 25 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1723 . 2 2 25 ASP OD2 O 7.795 -4.759 2.871 . . . 1.0 . . . . . . . . . . . . B . 25 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 1724 . 2 2 26 LEU C C 5.102 -3.736 -0.456 . . . 1.0 . . . . . . . . . . . . B . 26 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 1725 . 2 2 26 LEU CA C 4.994 -5.255 -0.483 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 1726 . 2 2 26 LEU CB C 3.926 -5.690 0.530 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 1727 . 2 2 26 LEU CD1 C 2.324 -6.964 -0.926 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1728 . 2 2 26 LEU CD2 C 1.484 -5.786 1.110 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1729 . 2 2 26 LEU CG C 2.499 -5.752 -0.021 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 1730 . 2 2 26 LEU H H 7.096 -5.269 -0.298 . . . 1.0 . . . . . . . . . . . . B . 26 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 1731 . 2 2 26 LEU HA H 4.700 -5.574 -1.473 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 1732 . 2 2 26 LEU HB2 H 4.192 -6.670 0.901 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1733 . 2 2 26 LEU HB3 H 3.941 -4.993 1.356 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1734 . 2 2 26 LEU HD11 H 3.002 -6.892 -1.762 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 1735 . 2 2 26 LEU HD12 H 1.307 -6.995 -1.289 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 1736 . 2 2 26 LEU HD13 H 2.534 -7.863 -0.366 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 1737 . 2 2 26 LEU HD21 H 1.541 -4.867 1.675 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 1738 . 2 2 26 LEU HD22 H 1.696 -6.622 1.759 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 1739 . 2 2 26 LEU HD23 H 0.490 -5.893 0.698 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 1740 . 2 2 26 LEU HG H 2.312 -4.865 -0.612 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 1741 . 2 2 26 LEU N N 6.297 -5.835 -0.178 . . . 1.0 . . . . . . . . . . . . B . 26 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 1742 . 2 2 26 LEU O O 4.260 -3.030 -1.015 . . . 1.0 . . . . . . . . . . . . B . 26 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 1743 . 2 2 27 ASP C C 7.356 -1.306 -0.693 . . . 1.0 . . . . . . . . . . . . B . 27 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 1744 . 2 2 27 ASP CA C 6.336 -1.798 0.323 . . . 1.0 . . . . . . . . . . . . B . 27 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 1745 . 2 2 27 ASP CB C 6.761 -1.394 1.730 . . . 1.0 . . . . . . . . . . . . B . 27 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 1746 . 2 2 27 ASP CG C 6.379 0.043 2.027 . . . 1.0 . . . . . . . . . . . . B . 27 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 1747 . 2 2 27 ASP H H 6.776 -3.840 0.651 . . . 1.0 . . . . . . . . . . . . B . 27 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 1748 . 2 2 27 ASP HA H 5.389 -1.326 0.104 . . . 1.0 . . . . . . . . . . . . B . 27 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 1749 . 2 2 27 ASP HB2 H 6.275 -2.037 2.449 . . . 1.0 . . . . . . . . . . . . B . 27 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1750 . 2 2 27 ASP HB3 H 7.832 -1.492 1.822 . . . 1.0 . . . . . . . . . . . . B . 27 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1751 . 2 2 27 ASP N N 6.134 -3.233 0.218 . . . 1.0 . . . . . . . . . . . . B . 27 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 1752 . 2 2 27 ASP O O 8.422 -1.915 -0.896 . . . 1.0 . . . . . . . . . . . . B . 27 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 1753 . 2 2 27 ASP OD1 O 5.495 0.585 1.319 . . . 1.0 . . . . . . . . . . . . B . 27 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1754 . 2 2 27 ASP OD2 O 6.948 0.634 2.967 . . . 1.0 . . . . . . . . . . . . B . 27 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 1755 . 2 2 28 ASP C C 8.873 1.359 -1.742 . . . 1.0 . . . . . . . . . . . . B . 28 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 1756 . 2 2 28 ASP CA C 7.812 0.444 -2.344 . . . 1.0 . . . . . . . . . . . . B . 28 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 1757 . 2 2 28 ASP CB C 6.899 1.257 -3.277 . . . 1.0 . . . . . . . . . . . . B . 28 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 1758 . 2 2 28 ASP CG C 5.734 1.912 -2.540 . . . 1.0 . . . . . . . . . . . . B . 28 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 1759 . 2 2 28 ASP H H 6.156 0.229 -1.065 . . . 1.0 . . . . . . . . . . . . B . 28 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 1760 . 2 2 28 ASP HA H 8.301 -0.329 -2.919 . . . 1.0 . . . . . . . . . . . . B . 28 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 1761 . 2 2 28 ASP HB2 H 7.481 2.034 -3.749 . . . 1.0 . . . . . . . . . . . . B . 28 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1762 . 2 2 28 ASP HB3 H 6.498 0.602 -4.037 . . . 1.0 . . . . . . . . . . . . B . 28 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1763 . 2 2 28 ASP N N 7.005 -0.195 -1.317 . . . 1.0 . . . . . . . . . . . . B . 28 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 1764 . 2 2 28 ASP O O 8.583 2.486 -1.355 . . . 1.0 . . . . . . . . . . . . B . 28 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 1765 . 2 2 28 ASP OD1 O 5.880 3.050 -2.052 . . . 1.0 . . . . . . . . . . . . B . 28 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1766 . 2 2 28 ASP OD2 O 4.661 1.273 -2.430 . . . 1.0 . . . . . . . . . . . . B . 28 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 1767 . 2 2 29 ASP C C 11.960 2.346 -2.271 . . . 1.0 . . . . . . . . . . . . B . 29 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 1768 . 2 2 29 ASP CA C 11.199 1.671 -1.130 . . . 1.0 . . . . . . . . . . . . B . 29 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 1769 . 2 2 29 ASP CB C 12.121 0.807 -0.263 . . . 1.0 . . . . . . . . . . . . B . 29 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 1770 . 2 2 29 ASP CG C 11.356 -0.002 0.770 . . . 1.0 . . . . . . . . . . . . B . 29 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 1771 . 2 2 29 ASP H H 10.287 -0.039 -1.982 . . . 1.0 . . . . . . . . . . . . B . 29 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 1772 . 2 2 29 ASP HA H 10.766 2.443 -0.515 . . . 1.0 . . . . . . . . . . . . B . 29 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 1773 . 2 2 29 ASP HB2 H 12.665 0.120 -0.897 . . . 1.0 . . . . . . . . . . . . B . 29 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1774 . 2 2 29 ASP HB3 H 12.821 1.449 0.251 . . . 1.0 . . . . . . . . . . . . B . 29 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1775 . 2 2 29 ASP N N 10.106 0.875 -1.673 . . . 1.0 . . . . . . . . . . . . B . 29 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 1776 . 2 2 29 ASP O O 11.427 3.254 -2.911 . . . 1.0 . . . . . . . . . . . . B . 29 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 1777 . 2 2 29 ASP OD1 O 10.820 -1.074 0.410 . . . 1.0 . . . . . . . . . . . . B . 29 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1778 . 2 2 29 ASP OD2 O 11.294 0.438 1.945 . . . 1.0 . . . . . . . . . . . . B . 29 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 1779 . 2 2 30 CYS C C 15.216 1.741 -4.033 . . . 1.0 . . . . . . . . . . . . B . 30 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 1780 . 2 2 30 CYS CA C 13.949 2.505 -3.656 . . . 1.0 . . . . . . . . . . . . B . 30 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1781 . 2 2 30 CYS CB C 14.333 3.948 -3.339 . . . 1.0 . . . . . . . . . . . . B . 30 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1782 . 2 2 30 CYS H H 13.557 1.156 -2.041 . . . 1.0 . . . . . . . . . . . . B . 30 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 1783 . 2 2 30 CYS HA H 13.302 2.517 -4.520 . . . 1.0 . . . . . . . . . . . . B . 30 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1784 . 2 2 30 CYS HB2 H 14.950 4.317 -4.148 . . . 1.0 . . . . . . . . . . . . B . 30 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1785 . 2 2 30 CYS HB3 H 13.434 4.542 -3.283 . . . 1.0 . . . . . . . . . . . . B . 30 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1786 . 2 2 30 CYS N N 13.182 1.902 -2.560 . . . 1.0 . . . . . . . . . . . . B . 30 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 1787 . 2 2 30 CYS O O 16.187 2.359 -4.469 . . . 1.0 . . . . . . . . . . . . B . 30 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 1788 . 2 2 30 CYS SG S 15.260 4.159 -1.770 . . . 1.0 . . . . . . . . . . . . B . 30 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 1789 . 2 2 31 GLY C C 16.834 -0.054 -5.653 . . . 1.0 . . . . . . . . . . . . B . 31 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 1790 . 2 2 31 GLY CA C 16.393 -0.358 -4.243 . . . 1.0 . . . . . . . . . . . . B . 31 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 1791 . 2 2 31 GLY H H 14.442 -0.020 -3.460 . . . 1.0 . . . . . . . . . . . . B . 31 GLY H . . . . . . . . . rr_2fyl 1 . 1 . 1792 . 2 2 31 GLY HA2 H 17.202 -0.129 -3.568 . . . 1.0 . . . . . . . . . . . . B . 31 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 1793 . 2 2 31 GLY HA3 H 16.157 -1.408 -4.167 . . . 1.0 . . . . . . . . . . . . B . 31 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 1794 . 2 2 31 GLY N N 15.224 0.425 -3.869 . . . 1.0 . . . . . . . . . . . . B . 31 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 1795 . 2 2 31 GLY O O 17.986 0.293 -5.902 . . . 1.0 . . . . . . . . . . . . B . 31 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 1796 . 2 2 32 ASP C C 15.410 1.416 -8.215 . . . 1.0 . . . . . . . . . . . . B . 32 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 1797 . 2 2 32 ASP CA C 16.136 0.108 -7.959 . . . 1.0 . . . . . . . . . . . . B . 32 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 1798 . 2 2 32 ASP CB C 15.589 -1.006 -8.865 . . . 1.0 . . . . . . . . . . . . B . 32 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 1799 . 2 2 32 ASP CG C 14.069 -1.086 -8.853 . . . 1.0 . . . . . . . . . . . . B . 32 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 1800 . 2 2 32 ASP H H 15.039 -0.569 -6.304 . . . 1.0 . . . . . . . . . . . . B . 32 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 1801 . 2 2 32 ASP HA H 17.196 0.237 -8.121 . . . 1.0 . . . . . . . . . . . . B . 32 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 1802 . 2 2 32 ASP HB2 H 15.913 -0.822 -9.877 . . . 1.0 . . . . . . . . . . . . B . 32 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1803 . 2 2 32 ASP HB3 H 15.984 -1.954 -8.533 . . . 1.0 . . . . . . . . . . . . B . 32 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1804 . 2 2 32 ASP N N 15.910 -0.211 -6.569 . . . 1.0 . . . . . . . . . . . . B . 32 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 1805 . 2 2 32 ASP O O 15.923 2.339 -8.846 . . . 1.0 . . . . . . . . . . . . B . 32 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 1806 . 2 2 32 ASP OD1 O 13.786 -1.025 -7.641 . . . 1.0 . . . . . . . . . . . . B . 32 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1807 . 2 2 32 ASP OD2 O 13.233 -0.855 -9.760 . . . 1.0 . . . . . . . . . . . . B . 32 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 1808 . 2 2 33 ARG C C 12.312 2.440 -6.572 . . . 1.0 . . . . . . . . . . . . B . 33 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 1809 . 2 2 33 ARG CA C 13.284 2.579 -7.723 . . . 1.0 . . . . . . . . . . . . B . 33 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 1810 . 2 2 33 ARG CB C 12.505 2.585 -9.041 . . . 1.0 . . . . . . . . . . . . B . 33 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 1811 . 2 2 33 ARG CD C 12.920 1.977 -11.435 . . . 1.0 . . . . . . . . . . . . B . 33 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 1812 . 2 2 33 ARG CG C 13.387 2.793 -10.242 . . . 1.0 . . . . . . . . . . . . B . 33 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 1813 . 2 2 33 ARG CZ C 14.730 1.000 -12.814 . . . 1.0 . . . . . . . . . . . . B . 33 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 1814 . 2 2 33 ARG H H 13.907 0.654 -7.180 . . . 1.0 . . . . . . . . . . . . B . 33 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 1815 . 2 2 33 ARG HA H 13.846 3.497 -7.619 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 1816 . 2 2 33 ARG HB2 H 11.993 1.640 -9.154 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1817 . 2 2 33 ARG HB3 H 11.776 3.380 -9.015 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1818 . 2 2 33 ARG HD2 H 12.769 0.955 -11.120 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1819 . 2 2 33 ARG HD3 H 11.985 2.386 -11.790 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1820 . 2 2 33 ARG HE H 13.932 2.821 -13.069 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 1821 . 2 2 33 ARG HG2 H 13.382 3.840 -10.499 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1822 . 2 2 33 ARG HG3 H 14.391 2.492 -9.972 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1823 . 2 2 33 ARG HH11 H 14.036 -0.258 -11.363 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 1824 . 2 2 33 ARG HH12 H 15.340 -0.874 -12.337 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 1825 . 2 2 33 ARG HH21 H 15.633 1.985 -14.340 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 1826 . 2 2 33 ARG HH22 H 16.222 0.378 -14.039 . . . 1.0 . . . . . . . . . . . . B . 33 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 1827 . 2 2 33 ARG N N 14.203 1.456 -7.659 . . . 1.0 . . . . . . . . . . . . B . 33 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 1828 . 2 2 33 ARG NE N 13.894 2.002 -12.526 . . . 1.0 . . . . . . . . . . . . B . 33 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 1829 . 2 2 33 ARG NH1 N 14.698 -0.134 -12.120 . . . 1.0 . . . . . . . . . . . . B . 33 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 1830 . 2 2 33 ARG NH2 N 15.598 1.134 -13.808 . . . 1.0 . . . . . . . . . . . . B . 33 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 1831 . 2 2 33 ARG O O 11.960 3.409 -5.905 . . . 1.0 . . . . . . . . . . . . B . 33 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 1832 . 2 2 34 SER C C 11.209 -0.551 -4.780 . . . 1.0 . . . . . . . . . . . . B . 34 SER C . . . . . . . . . rr_2fyl 1 . 1 . 1833 . 2 2 34 SER CA C 10.956 0.875 -5.285 . . . 1.0 . . . . . . . . . . . . B . 34 SER CA . . . . . . . . . rr_2fyl 1 . 1 . 1834 . 2 2 34 SER CB C 9.512 1.015 -5.772 . . . 1.0 . . . . . . . . . . . . B . 34 SER CB . . . . . . . . . rr_2fyl 1 . 1 . 1835 . 2 2 34 SER H H 12.143 0.495 -6.989 . . . 1.0 . . . . . . . . . . . . B . 34 SER H . . . . . . . . . rr_2fyl 1 . 1 . 1836 . 2 2 34 SER HA H 11.125 1.570 -4.476 . . . 1.0 . . . . . . . . . . . . B . 34 SER HA . . . . . . . . . rr_2fyl 1 . 1 . 1837 . 2 2 34 SER HB2 H 9.313 0.268 -6.528 . . . 1.0 . . . . . . . . . . . . B . 34 SER HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1838 . 2 2 34 SER HB3 H 8.839 0.873 -4.940 . . . 1.0 . . . . . . . . . . . . B . 34 SER HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1839 . 2 2 34 SER HG H 9.984 2.903 -6.020 . . . 1.0 . . . . . . . . . . . . B . 34 SER HG . . . . . . . . . rr_2fyl 1 . 1 . 1840 . 2 2 34 SER N N 11.872 1.204 -6.365 . . . 1.0 . . . . . . . . . . . . B . 34 SER N . . . . . . . . . rr_2fyl 1 . 1 . 1841 . 2 2 34 SER O O 10.451 -1.057 -3.956 . . . 1.0 . . . . . . . . . . . . B . 34 SER O . . . . . . . . . rr_2fyl 1 . 1 . 1842 . 2 2 34 SER OG O 9.290 2.300 -6.328 . . . 1.0 . . . . . . . . . . . . B . 34 SER OG . . . . . . . . . rr_2fyl 1 . 1 . 1843 . 2 2 35 ASP C C 11.527 -3.527 -4.855 . . . 1.0 . . . . . . . . . . . . B . 35 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 1844 . 2 2 35 ASP CA C 12.697 -2.561 -4.949 . . . 1.0 . . . . . . . . . . . . B . 35 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 1845 . 2 2 35 ASP CB C 13.541 -2.651 -3.667 . . . 1.0 . . . . . . . . . . . . B . 35 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 1846 . 2 2 35 ASP CG C 13.010 -1.834 -2.513 . . . 1.0 . . . . . . . . . . . . B . 35 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 1847 . 2 2 35 ASP H H 12.855 -0.674 -5.925 . . . 1.0 . . . . . . . . . . . . B . 35 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 1848 . 2 2 35 ASP HA H 13.314 -2.902 -5.767 . . . 1.0 . . . . . . . . . . . . B . 35 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 1849 . 2 2 35 ASP HB2 H 13.584 -3.682 -3.350 . . . 1.0 . . . . . . . . . . . . B . 35 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1850 . 2 2 35 ASP HB3 H 14.540 -2.314 -3.888 . . . 1.0 . . . . . . . . . . . . B . 35 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1851 . 2 2 35 ASP N N 12.291 -1.171 -5.289 . . . 1.0 . . . . . . . . . . . . B . 35 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 1852 . 2 2 35 ASP O O 11.573 -4.504 -4.110 . . . 1.0 . . . . . . . . . . . . B . 35 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 1853 . 2 2 35 ASP OD1 O 12.043 -2.263 -1.859 . . . 1.0 . . . . . . . . . . . . B . 35 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 1854 . 2 2 35 ASP OD2 O 13.587 -0.758 -2.262 . . . 1.0 . . . . . . . . . . . . B . 35 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 1855 . 2 2 36 GLU C C 9.164 -4.779 -7.013 . . . 1.0 . . . . . . . . . . . . B . 36 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 1856 . 2 2 36 GLU CA C 9.342 -4.145 -5.646 . . . 1.0 . . . . . . . . . . . . B . 36 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 1857 . 2 2 36 GLU CB C 8.085 -3.366 -5.247 . . . 1.0 . . . . . . . . . . . . B . 36 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 1858 . 2 2 36 GLU CD C 7.880 -4.526 -3.005 . . . 1.0 . . . . . . . . . . . . B . 36 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 1859 . 2 2 36 GLU CG C 7.925 -3.200 -3.742 . . . 1.0 . . . . . . . . . . . . B . 36 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 1860 . 2 2 36 GLU H H 10.535 -2.517 -6.248 . . . 1.0 . . . . . . . . . . . . B . 36 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 1861 . 2 2 36 GLU HA H 9.516 -4.927 -4.921 . . . 1.0 . . . . . . . . . . . . B . 36 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 1862 . 2 2 36 GLU HB2 H 8.126 -2.383 -5.693 . . . 1.0 . . . . . . . . . . . . B . 36 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1863 . 2 2 36 GLU HB3 H 7.217 -3.887 -5.624 . . . 1.0 . . . . . . . . . . . . B . 36 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1864 . 2 2 36 GLU HG2 H 8.756 -2.624 -3.365 . . . 1.0 . . . . . . . . . . . . B . 36 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1865 . 2 2 36 GLU HG3 H 7.005 -2.668 -3.551 . . . 1.0 . . . . . . . . . . . . B . 36 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1866 . 2 2 36 GLU N N 10.503 -3.287 -5.646 . . . 1.0 . . . . . . . . . . . . B . 36 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 1867 . 2 2 36 GLU O O 8.897 -4.084 -7.996 . . . 1.0 . . . . . . . . . . . . B . 36 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 1868 . 2 2 36 GLU OE1 O 7.460 -5.536 -3.625 . . . 1.0 . . . . . . . . . . . . B . 36 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 1869 . 2 2 36 GLU OE2 O 8.253 -4.566 -1.807 . . . 1.0 . . . . . . . . . . . . B . 36 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 1870 . 2 2 37 SER C C 10.471 -6.787 -9.185 . . . 1.0 . . . . . . . . . . . . B . 37 SER C . . . . . . . . . rr_2fyl 1 . 1 . 1871 . 2 2 37 SER CA C 9.241 -6.894 -8.287 . . . 1.0 . . . . . . . . . . . . B . 37 SER CA . . . . . . . . . rr_2fyl 1 . 1 . 1872 . 2 2 37 SER CB C 7.979 -6.498 -9.070 . . . 1.0 . . . . . . . . . . . . B . 37 SER CB . . . . . . . . . rr_2fyl 1 . 1 . 1873 . 2 2 37 SER H H 9.717 -6.542 -6.248 . . . 1.0 . . . . . . . . . . . . B . 37 SER H . . . . . . . . . rr_2fyl 1 . 1 . 1874 . 2 2 37 SER HA H 9.141 -7.925 -7.980 . . . 1.0 . . . . . . . . . . . . B . 37 SER HA . . . . . . . . . rr_2fyl 1 . 1 . 1875 . 2 2 37 SER HB2 H 8.128 -5.523 -9.514 . . . 1.0 . . . . . . . . . . . . B . 37 SER HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1876 . 2 2 37 SER HB3 H 7.798 -7.223 -9.850 . . . 1.0 . . . . . . . . . . . . B . 37 SER HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1877 . 2 2 37 SER HG H 7.105 -6.113 -7.356 . . . 1.0 . . . . . . . . . . . . B . 37 SER HG . . . . . . . . . rr_2fyl 1 . 1 . 1878 . 2 2 37 SER N N 9.393 -6.093 -7.065 . . . 1.0 . . . . . . . . . . . . B . 37 SER N . . . . . . . . . rr_2fyl 1 . 1 . 1879 . 2 2 37 SER O O 11.092 -7.799 -9.515 . . . 1.0 . . . . . . . . . . . . B . 37 SER O . . . . . . . . . rr_2fyl 1 . 1 . 1880 . 2 2 37 SER OG O 6.842 -6.442 -8.221 . . . 1.0 . . . . . . . . . . . . B . 37 SER OG . . . . . . . . . rr_2fyl 1 . 1 . 1881 . 2 2 38 ALA C C 13.321 -5.425 -9.658 . . . 1.0 . . . . . . . . . . . . B . 38 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 1882 . 2 2 38 ALA CA C 11.996 -5.334 -10.413 . . . 1.0 . . . . . . . . . . . . B . 38 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 1883 . 2 2 38 ALA CB C 11.863 -3.984 -11.100 . . . 1.0 . . . . . . . . . . . . B . 38 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 1884 . 2 2 38 ALA H H 10.346 -4.794 -9.194 . . . 1.0 . . . . . . . . . . . . B . 38 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 1885 . 2 2 38 ALA HA H 11.983 -6.097 -11.172 . . . 1.0 . . . . . . . . . . . . B . 38 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 1886 . 2 2 38 ALA HB1 H 11.836 -3.205 -10.354 . . . 1.0 . . . . . . . . . . . . B . 38 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 1887 . 2 2 38 ALA HB2 H 10.951 -3.961 -11.679 . . . 1.0 . . . . . . . . . . . . B . 38 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1888 . 2 2 38 ALA HB3 H 12.710 -3.830 -11.752 . . . 1.0 . . . . . . . . . . . . B . 38 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1889 . 2 2 38 ALA N N 10.848 -5.565 -9.538 . . . 1.0 . . . . . . . . . . . . B . 38 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 1890 . 2 2 38 ALA O O 14.234 -4.626 -9.867 . . . 1.0 . . . . . . . . . . . . B . 38 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 1891 . 2 2 39 SER C C 14.846 -8.114 -7.786 . . . 1.0 . . . . . . . . . . . . B . 39 SER C . . . . . . . . . rr_2fyl 1 . 1 . 1892 . 2 2 39 SER CA C 14.623 -6.624 -7.998 . . . 1.0 . . . . . . . . . . . . B . 39 SER CA . . . . . . . . . rr_2fyl 1 . 1 . 1893 . 2 2 39 SER CB C 14.507 -5.908 -6.650 . . . 1.0 . . . . . . . . . . . . B . 39 SER CB . . . . . . . . . rr_2fyl 1 . 1 . 1894 . 2 2 39 SER H H 12.657 -7.008 -8.657 . . . 1.0 . . . . . . . . . . . . B . 39 SER H . . . . . . . . . rr_2fyl 1 . 1 . 1895 . 2 2 39 SER HA H 15.460 -6.218 -8.546 . . . 1.0 . . . . . . . . . . . . B . 39 SER HA . . . . . . . . . rr_2fyl 1 . 1 . 1896 . 2 2 39 SER HB2 H 14.169 -6.608 -5.901 . . . 1.0 . . . . . . . . . . . . B . 39 SER HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1897 . 2 2 39 SER HB3 H 15.473 -5.514 -6.368 . . . 1.0 . . . . . . . . . . . . B . 39 SER HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1898 . 2 2 39 SER HG H 13.802 -4.277 -7.480 . . . 1.0 . . . . . . . . . . . . B . 39 SER HG . . . . . . . . . rr_2fyl 1 . 1 . 1899 . 2 2 39 SER N N 13.419 -6.408 -8.782 . . . 1.0 . . . . . . . . . . . . B . 39 SER N . . . . . . . . . rr_2fyl 1 . 1 . 1900 . 2 2 39 SER O O 15.812 -8.689 -8.280 . . . 1.0 . . . . . . . . . . . . B . 39 SER O . . . . . . . . . rr_2fyl 1 . 1 . 1901 . 2 2 39 SER OG O 13.582 -4.837 -6.727 . . . 1.0 . . . . . . . . . . . . B . 39 SER OG . . . . . . . . . rr_2fyl 1 . 1 . 1902 . 2 2 40 CYS C C 13.334 -11.010 -7.858 . . . 1.0 . . . . . . . . . . . . B . 40 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 1903 . 2 2 40 CYS CA C 14.021 -10.172 -6.788 . . . 1.0 . . . . . . . . . . . . B . 40 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1904 . 2 2 40 CYS CB C 13.378 -10.462 -5.439 . . . 1.0 . . . . . . . . . . . . B . 40 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1905 . 2 2 40 CYS H H 13.150 -8.236 -6.721 . . . 1.0 . . . . . . . . . . . . B . 40 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 1906 . 2 2 40 CYS HA H 15.066 -10.438 -6.746 . . . 1.0 . . . . . . . . . . . . B . 40 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1907 . 2 2 40 CYS HB2 H 13.605 -11.474 -5.143 . . . 1.0 . . . . . . . . . . . . B . 40 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1908 . 2 2 40 CYS HB3 H 13.772 -9.774 -4.706 . . . 1.0 . . . . . . . . . . . . B . 40 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1909 . 2 2 40 CYS N N 13.921 -8.744 -7.075 . . . 1.0 . . . . . . . . . . . . B . 40 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 1910 . 2 2 40 CYS O O 13.224 -12.227 -7.716 . . . 1.0 . . . . . . . . . . . . B . 40 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 1911 . 2 2 40 CYS SG S 11.572 -10.271 -5.451 . . . 1.0 . . . . . . . . . . . . B . 40 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 1912 . 2 2 41 ALA C C 10.738 -11.455 -9.568 . . . 1.0 . . . . . . . . . . . . B . 41 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 1913 . 2 2 41 ALA CA C 12.128 -10.994 -10.015 . . . 1.0 . . . . . . . . . . . . B . 41 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 1914 . 2 2 41 ALA CB C 12.935 -12.154 -10.590 . . . 1.0 . . . . . . . . . . . . B . 41 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 1915 . 2 2 41 ALA H H 12.970 -9.370 -8.945 . . . 1.0 . . . . . . . . . . . . B . 41 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 1916 . 2 2 41 ALA HA H 12.005 -10.257 -10.798 . . . 1.0 . . . . . . . . . . . . B . 41 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 1917 . 2 2 41 ALA HB1 H 13.911 -11.801 -10.891 . . . 1.0 . . . . . . . . . . . . B . 41 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 1918 . 2 2 41 ALA HB2 H 12.420 -12.562 -11.445 . . . 1.0 . . . . . . . . . . . . B . 41 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1919 . 2 2 41 ALA HB3 H 13.048 -12.920 -9.838 . . . 1.0 . . . . . . . . . . . . B . 41 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1920 . 2 2 41 ALA N N 12.843 -10.340 -8.909 . . . 1.0 . . . . . . . . . . . . B . 41 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 1921 . 2 2 41 ALA O O 9.957 -11.983 -10.363 . . . 1.0 . . . . . . . . . . . . B . 41 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 1922 . 2 2 42 TYR C C 8.800 -13.050 -7.834 . . . 1.0 . . . . . . . . . . . . B . 42 TYR C . . . . . . . . . rr_2fyl 1 . 1 . 1923 . 2 2 42 TYR CA C 9.172 -11.575 -7.665 . . . 1.0 . . . . . . . . . . . . B . 42 TYR CA . . . . . . . . . rr_2fyl 1 . 1 . 1924 . 2 2 42 TYR CB C 8.051 -10.686 -8.207 . . . 1.0 . . . . . . . . . . . . B . 42 TYR CB . . . . . . . . . rr_2fyl 1 . 1 . 1925 . 2 2 42 TYR CD1 C 8.161 -9.258 -6.119 . . . 1.0 . . . . . . . . . . . . B . 42 TYR CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1926 . 2 2 42 TYR CD2 C 6.051 -9.524 -7.195 . . . 1.0 . . . . . . . . . . . . B . 42 TYR CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1927 . 2 2 42 TYR CE1 C 7.576 -8.455 -5.158 . . . 1.0 . . . . . . . . . . . . B . 42 TYR CE1 . . . . . . . . . rr_2fyl 1 . 1 . 1928 . 2 2 42 TYR CE2 C 5.458 -8.719 -6.236 . . . 1.0 . . . . . . . . . . . . B . 42 TYR CE2 . . . . . . . . . rr_2fyl 1 . 1 . 1929 . 2 2 42 TYR CG C 7.410 -9.807 -7.154 . . . 1.0 . . . . . . . . . . . . B . 42 TYR CG . . . . . . . . . rr_2fyl 1 . 1 . 1930 . 2 2 42 TYR CZ C 6.227 -8.186 -5.221 . . . 1.0 . . . . . . . . . . . . B . 42 TYR CZ . . . . . . . . . rr_2fyl 1 . 1 . 1931 . 2 2 42 TYR H H 11.139 -10.820 -7.726 . . . 1.0 . . . . . . . . . . . . B . 42 TYR H . . . . . . . . . rr_2fyl 1 . 1 . 1932 . 2 2 42 TYR HA H 9.274 -11.380 -6.609 . . . 1.0 . . . . . . . . . . . . B . 42 TYR HA . . . . . . . . . rr_2fyl 1 . 1 . 1933 . 2 2 42 TYR HB2 H 8.451 -10.044 -8.977 . . . 1.0 . . . . . . . . . . . . B . 42 TYR HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1934 . 2 2 42 TYR HB3 H 7.283 -11.313 -8.631 . . . 1.0 . . . . . . . . . . . . B . 42 TYR HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1935 . 2 2 42 TYR HD1 H 9.218 -9.468 -6.070 . . . 1.0 . . . . . . . . . . . . B . 42 TYR HD1 . . . . . . . . . rr_2fyl 1 . 1 . 1936 . 2 2 42 TYR HD2 H 5.454 -9.942 -7.991 . . . 1.0 . . . . . . . . . . . . B . 42 TYR HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1937 . 2 2 42 TYR HE1 H 8.178 -8.039 -4.364 . . . 1.0 . . . . . . . . . . . . B . 42 TYR HE1 . . . . . . . . . rr_2fyl 1 . 1 . 1938 . 2 2 42 TYR HE2 H 4.400 -8.513 -6.287 . . . 1.0 . . . . . . . . . . . . B . 42 TYR HE2 . . . . . . . . . rr_2fyl 1 . 1 . 1939 . 2 2 42 TYR HH H 6.278 -6.702 -3.977 . . . 1.0 . . . . . . . . . . . . B . 42 TYR HH . . . . . . . . . rr_2fyl 1 . 1 . 1940 . 2 2 42 TYR N N 10.450 -11.230 -8.287 . . . 1.0 . . . . . . . . . . . . B . 42 TYR N . . . . . . . . . rr_2fyl 1 . 1 . 1941 . 2 2 42 TYR O O 7.911 -13.387 -8.620 . . . 1.0 . . . . . . . . . . . . B . 42 TYR O . . . . . . . . . rr_2fyl 1 . 1 . 1942 . 2 2 42 TYR OH O 5.641 -7.384 -4.266 . . . 1.0 . . . . . . . . . . . . B . 42 TYR OH . . . . . . . . . rr_2fyl 1 . 1 . 1943 . 2 2 43 PRO C C 7.914 -15.657 -6.344 . . . 1.0 . . . . . . . . . . . . B . 43 PRO C . . . . . . . . . rr_2fyl 1 . 1 . 1944 . 2 2 43 PRO CA C 9.182 -15.382 -7.142 . . . 1.0 . . . . . . . . . . . . B . 43 PRO CA . . . . . . . . . rr_2fyl 1 . 1 . 1945 . 2 2 43 PRO CB C 10.400 -16.040 -6.470 . . . 1.0 . . . . . . . . . . . . B . 43 PRO CB . . . . . . . . . rr_2fyl 1 . 1 . 1946 . 2 2 43 PRO CD C 10.586 -13.664 -6.188 . . . 1.0 . . . . . . . . . . . . B . 43 PRO CD . . . . . . . . . rr_2fyl 1 . 1 . 1947 . 2 2 43 PRO CG C 11.382 -14.936 -6.232 . . . 1.0 . . . . . . . . . . . . B . 43 PRO CG . . . . . . . . . rr_2fyl 1 . 1 . 1948 . 2 2 43 PRO HA H 9.068 -15.743 -8.154 . . . 1.0 . . . . . . . . . . . . B . 43 PRO HA . . . . . . . . . rr_2fyl 1 . 1 . 1949 . 2 2 43 PRO HB2 H 10.092 -16.493 -5.540 . . . 1.0 . . . . . . . . . . . . B . 43 PRO HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1950 . 2 2 43 PRO HB3 H 10.809 -16.796 -7.123 . . . 1.0 . . . . . . . . . . . . B . 43 PRO HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1951 . 2 2 43 PRO HD2 H 10.225 -13.475 -5.189 . . . 1.0 . . . . . . . . . . . . B . 43 PRO HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1952 . 2 2 43 PRO HD3 H 11.177 -12.834 -6.545 . . . 1.0 . . . . . . . . . . . . B . 43 PRO HD3 . . . . . . . . . rr_2fyl 1 . 1 . 1953 . 2 2 43 PRO HG2 H 11.886 -15.093 -5.289 . . . 1.0 . . . . . . . . . . . . B . 43 PRO HG2 . . . . . . . . . rr_2fyl 1 . 1 . 1954 . 2 2 43 PRO HG3 H 12.100 -14.901 -7.038 . . . 1.0 . . . . . . . . . . . . B . 43 PRO HG3 . . . . . . . . . rr_2fyl 1 . 1 . 1955 . 2 2 43 PRO N N 9.479 -13.951 -7.104 . . . 1.0 . . . . . . . . . . . . B . 43 PRO N . . . . . . . . . rr_2fyl 1 . 1 . 1956 . 2 2 43 PRO O O 7.972 -15.886 -5.133 . . . 1.0 . . . . . . . . . . . . B . 43 PRO O . . . . . . . . . rr_2fyl 1 . 1 . 1957 . 2 2 44 THR C C 5.282 -14.648 -5.378 . . . 1.0 . . . . . . . . . . . . B . 44 THR C . . . . . . . . . rr_2fyl 1 . 1 . 1958 . 2 2 44 THR CA C 5.479 -15.784 -6.378 . . . 1.0 . . . . . . . . . . . . B . 44 THR CA . . . . . . . . . rr_2fyl 1 . 1 . 1959 . 2 2 44 THR CB C 5.335 -17.142 -5.662 . . . 1.0 . . . . . . . . . . . . B . 44 THR CB . . . . . . . . . rr_2fyl 1 . 1 . 1960 . 2 2 44 THR CG2 C 3.900 -17.324 -5.186 . . . 1.0 . . . . . . . . . . . . B . 44 THR CG2 . . . . . . . . . rr_2fyl 1 . 1 . 1961 . 2 2 44 THR H H 6.806 -15.456 -7.994 . . . 1.0 . . . . . . . . . . . . B . 44 THR H . . . . . . . . . rr_2fyl 1 . 1 . 1962 . 2 2 44 THR HA H 4.714 -15.713 -7.141 . . . 1.0 . . . . . . . . . . . . B . 44 THR HA . . . . . . . . . rr_2fyl 1 . 1 . 1963 . 2 2 44 THR HB H 5.989 -17.154 -4.802 . . . 1.0 . . . . . . . . . . . . B . 44 THR HB . . . . . . . . . rr_2fyl 1 . 1 . 1964 . 2 2 44 THR HG1 H 6.486 -18.653 -6.203 . . . 1.0 . . . . . . . . . . . . B . 44 THR HG1 . . . . . . . . . rr_2fyl 1 . 1 . 1965 . 2 2 44 THR HG21 H 3.577 -16.409 -4.695 . . . 1.0 . . . . . . . . . . . . B . 44 THR HG21 . . . . . . . . . rr_2fyl 1 . 1 . 1966 . 2 2 44 THR HG22 H 3.848 -18.146 -4.488 . . . 1.0 . . . . . . . . . . . . B . 44 THR HG22 . . . . . . . . . rr_2fyl 1 . 1 . 1967 . 2 2 44 THR HG23 H 3.262 -17.520 -6.032 . . . 1.0 . . . . . . . . . . . . B . 44 THR HG23 . . . . . . . . . rr_2fyl 1 . 1 . 1968 . 2 2 44 THR N N 6.773 -15.610 -7.026 . . . 1.0 . . . . . . . . . . . . B . 44 THR N . . . . . . . . . rr_2fyl 1 . 1 . 1969 . 2 2 44 THR O O 4.824 -14.839 -4.249 . . . 1.0 . . . . . . . . . . . . B . 44 THR O . . . . . . . . . rr_2fyl 1 . 1 . 1970 . 2 2 44 THR OG1 O 5.702 -18.210 -6.547 . . . 1.0 . . . . . . . . . . . . B . 44 THR OG1 . . . . . . . . . rr_2fyl 1 . 1 . 1971 . 2 2 45 CYS C C 6.584 -12.290 -3.866 . . . 1.0 . . . . . . . . . . . . B . 45 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 1972 . 2 2 45 CYS CA C 5.582 -12.247 -5.024 . . . 1.0 . . . . . . . . . . . . B . 45 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 1973 . 2 2 45 CYS CB C 4.144 -12.018 -4.533 . . . 1.0 . . . . . . . . . . . . B . 45 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 1974 . 2 2 45 CYS H H 6.000 -13.403 -6.732 . . . 1.0 . . . . . . . . . . . . B . 45 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 1975 . 2 2 45 CYS HA H 5.857 -11.431 -5.660 . . . 1.0 . . . . . . . . . . . . B . 45 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 1976 . 2 2 45 CYS HB2 H 3.866 -12.816 -3.860 . . . 1.0 . . . . . . . . . . . . B . 45 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1977 . 2 2 45 CYS HB3 H 4.095 -11.074 -4.008 . . . 1.0 . . . . . . . . . . . . B . 45 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1978 . 2 2 45 CYS N N 5.662 -13.462 -5.822 . . . 1.0 . . . . . . . . . . . . B . 45 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 1979 . 2 2 45 CYS O O 7.604 -11.607 -3.894 . . . 1.0 . . . . . . . . . . . . B . 45 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 1980 . 2 2 45 CYS SG S 2.912 -11.971 -5.882 . . . 1.0 . . . . . . . . . . . . B . 45 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 1981 . 2 2 46 PHE C C 6.733 -14.502 -0.884 . . . 1.0 . . . . . . . . . . . . B . 46 PHE C . . . . . . . . . rr_2fyl 1 . 1 . 1982 . 2 2 46 PHE CA C 7.160 -13.283 -1.706 . . . 1.0 . . . . . . . . . . . . B . 46 PHE CA . . . . . . . . . rr_2fyl 1 . 1 . 1983 . 2 2 46 PHE CB C 7.148 -12.010 -0.827 . . . 1.0 . . . . . . . . . . . . B . 46 PHE CB . . . . . . . . . rr_2fyl 1 . 1 . 1984 . 2 2 46 PHE CD1 C 4.720 -11.479 -1.211 . . . 1.0 . . . . . . . . . . . . B . 46 PHE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 1985 . 2 2 46 PHE CD2 C 5.582 -11.283 0.997 . . . 1.0 . . . . . . . . . . . . B . 46 PHE CD2 . . . . . . . . . rr_2fyl 1 . 1 . 1986 . 2 2 46 PHE CE1 C 3.479 -11.094 -0.774 . . . 1.0 . . . . . . . . . . . . B . 46 PHE CE1 . . . . . . . . . rr_2fyl 1 . 1 . 1987 . 2 2 46 PHE CE2 C 4.338 -10.893 1.448 . . . 1.0 . . . . . . . . . . . . B . 46 PHE CE2 . . . . . . . . . rr_2fyl 1 . 1 . 1988 . 2 2 46 PHE CG C 5.788 -11.580 -0.338 . . . 1.0 . . . . . . . . . . . . B . 46 PHE CG . . . . . . . . . rr_2fyl 1 . 1 . 1989 . 2 2 46 PHE CZ C 3.281 -10.798 0.562 . . . 1.0 . . . . . . . . . . . . B . 46 PHE CZ . . . . . . . . . rr_2fyl 1 . 1 . 1990 . 2 2 46 PHE H H 5.504 -13.684 -2.969 . . . 1.0 . . . . . . . . . . . . B . 46 PHE H . . . . . . . . . rr_2fyl 1 . 1 . 1991 . 2 2 46 PHE HA H 8.169 -13.449 -2.057 . . . 1.0 . . . . . . . . . . . . B . 46 PHE HA . . . . . . . . . rr_2fyl 1 . 1 . 1992 . 2 2 46 PHE HB2 H 7.758 -12.190 0.044 . . . 1.0 . . . . . . . . . . . . B . 46 PHE HB2 . . . . . . . . . rr_2fyl 1 . 1 . 1993 . 2 2 46 PHE HB3 H 7.572 -11.193 -1.390 . . . 1.0 . . . . . . . . . . . . B . 46 PHE HB3 . . . . . . . . . rr_2fyl 1 . 1 . 1994 . 2 2 46 PHE HD1 H 4.872 -11.710 -2.252 . . . 1.0 . . . . . . . . . . . . B . 46 PHE HD1 . . . . . . . . . rr_2fyl 1 . 1 . 1995 . 2 2 46 PHE HD2 H 6.407 -11.356 1.691 . . . 1.0 . . . . . . . . . . . . B . 46 PHE HD2 . . . . . . . . . rr_2fyl 1 . 1 . 1996 . 2 2 46 PHE HE1 H 2.660 -11.035 -1.477 . . . 1.0 . . . . . . . . . . . . B . 46 PHE HE1 . . . . . . . . . rr_2fyl 1 . 1 . 1997 . 2 2 46 PHE HE2 H 4.191 -10.664 2.490 . . . 1.0 . . . . . . . . . . . . B . 46 PHE HE2 . . . . . . . . . rr_2fyl 1 . 1 . 1998 . 2 2 46 PHE HZ H 2.305 -10.494 0.912 . . . 1.0 . . . . . . . . . . . . B . 46 PHE HZ . . . . . . . . . rr_2fyl 1 . 1 . 1999 . 2 2 46 PHE N N 6.306 -13.131 -2.885 . . . 1.0 . . . . . . . . . . . . B . 46 PHE N . . . . . . . . . rr_2fyl 1 . 1 . 2000 . 2 2 46 PHE O O 5.687 -14.498 -0.237 . . . 1.0 . . . . . . . . . . . . B . 46 PHE O . . . . . . . . . rr_2fyl 1 . 1 . 2001 . 2 2 47 PRO C C 7.717 -16.743 1.283 . . . 1.0 . . . . . . . . . . . . B . 47 PRO C . . . . . . . . . rr_2fyl 1 . 1 . 2002 . 2 2 47 PRO CA C 7.235 -16.800 -0.170 . . . 1.0 . . . . . . . . . . . . B . 47 PRO CA . . . . . . . . . rr_2fyl 1 . 1 . 2003 . 2 2 47 PRO CB C 8.016 -17.851 -0.956 . . . 1.0 . . . . . . . . . . . . B . 47 PRO CB . . . . . . . . . rr_2fyl 1 . 1 . 2004 . 2 2 47 PRO CD C 8.788 -15.685 -1.677 . . . 1.0 . . . . . . . . . . . . B . 47 PRO CD . . . . . . . . . rr_2fyl 1 . 1 . 2005 . 2 2 47 PRO CG C 9.207 -17.123 -1.485 . . . 1.0 . . . . . . . . . . . . B . 47 PRO CG . . . . . . . . . rr_2fyl 1 . 1 . 2006 . 2 2 47 PRO HA H 6.183 -17.034 -0.194 . . . 1.0 . . . . . . . . . . . . B . 47 PRO HA . . . . . . . . . rr_2fyl 1 . 1 . 2007 . 2 2 47 PRO HB2 H 8.303 -18.658 -0.298 . . . 1.0 . . . . . . . . . . . . B . 47 PRO HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2008 . 2 2 47 PRO HB3 H 7.404 -18.234 -1.759 . . . 1.0 . . . . . . . . . . . . B . 47 PRO HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2009 . 2 2 47 PRO HD2 H 9.538 -15.016 -1.282 . . . 1.0 . . . . . . . . . . . . B . 47 PRO HD2 . . . . . . . . . rr_2fyl 1 . 1 . 2010 . 2 2 47 PRO HD3 H 8.617 -15.483 -2.724 . . . 1.0 . . . . . . . . . . . . B . 47 PRO HD3 . . . . . . . . . rr_2fyl 1 . 1 . 2011 . 2 2 47 PRO HG2 H 10.016 -17.181 -0.773 . . . 1.0 . . . . . . . . . . . . B . 47 PRO HG2 . . . . . . . . . rr_2fyl 1 . 1 . 2012 . 2 2 47 PRO HG3 H 9.507 -17.553 -2.429 . . . 1.0 . . . . . . . . . . . . B . 47 PRO HG3 . . . . . . . . . rr_2fyl 1 . 1 . 2013 . 2 2 47 PRO N N 7.532 -15.573 -0.909 . . . 1.0 . . . . . . . . . . . . B . 47 PRO N . . . . . . . . . rr_2fyl 1 . 1 . 2014 . 2 2 47 PRO O O 8.306 -17.698 1.788 . . . 1.0 . . . . . . . . . . . . B . 47 PRO O . . . . . . . . . rr_2fyl 1 . 1 . 2015 . 2 2 48 LEU C C 6.665 -15.406 4.275 . . . 1.0 . . . . . . . . . . . . B . 48 LEU C . . . . . . . . . rr_2fyl 1 . 1 . 2016 . 2 2 48 LEU CA C 7.870 -15.451 3.344 . . . 1.0 . . . . . . . . . . . . B . 48 LEU CA . . . . . . . . . rr_2fyl 1 . 1 . 2017 . 2 2 48 LEU CB C 8.690 -14.167 3.510 . . . 1.0 . . . . . . . . . . . . B . 48 LEU CB . . . . . . . . . rr_2fyl 1 . 1 . 2018 . 2 2 48 LEU CD1 C 9.398 -12.031 2.420 . . . 1.0 . . . . . . . . . . . . B . 48 LEU CD1 . . . . . . . . . rr_2fyl 1 . 1 . 2019 . 2 2 48 LEU CD2 C 10.399 -14.189 1.670 . . . 1.0 . . . . . . . . . . . . B . 48 LEU CD2 . . . . . . . . . rr_2fyl 1 . 1 . 2020 . 2 2 48 LEU CG C 9.144 -13.512 2.207 . . . 1.0 . . . . . . . . . . . . B . 48 LEU CG . . . . . . . . . rr_2fyl 1 . 1 . 2021 . 2 2 48 LEU H H 6.965 -14.902 1.504 . . . 1.0 . . . . . . . . . . . . B . 48 LEU H . . . . . . . . . rr_2fyl 1 . 1 . 2022 . 2 2 48 LEU HA H 8.485 -16.290 3.606 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HA . . . . . . . . . rr_2fyl 1 . 1 . 2023 . 2 2 48 LEU HB2 H 8.094 -13.451 4.059 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2024 . 2 2 48 LEU HB3 H 9.568 -14.401 4.095 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2025 . 2 2 48 LEU HD11 H 10.180 -11.902 3.153 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HD11 . . . . . . . . . rr_2fyl 1 . 1 . 2026 . 2 2 48 LEU HD12 H 8.494 -11.558 2.771 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HD12 . . . . . . . . . rr_2fyl 1 . 1 . 2027 . 2 2 48 LEU HD13 H 9.701 -11.582 1.486 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HD13 . . . . . . . . . rr_2fyl 1 . 1 . 2028 . 2 2 48 LEU HD21 H 11.189 -14.116 2.400 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HD21 . . . . . . . . . rr_2fyl 1 . 1 . 2029 . 2 2 48 LEU HD22 H 10.706 -13.703 0.756 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HD22 . . . . . . . . . rr_2fyl 1 . 1 . 2030 . 2 2 48 LEU HD23 H 10.188 -15.229 1.470 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HD23 . . . . . . . . . rr_2fyl 1 . 1 . 2031 . 2 2 48 LEU HG H 8.359 -13.620 1.474 . . . 1.0 . . . . . . . . . . . . B . 48 LEU HG . . . . . . . . . rr_2fyl 1 . 1 . 2032 . 2 2 48 LEU N N 7.453 -15.624 1.954 . . . 1.0 . . . . . . . . . . . . B . 48 LEU N . . . . . . . . . rr_2fyl 1 . 1 . 2033 . 2 2 48 LEU O O 6.490 -16.268 5.133 . . . 1.0 . . . . . . . . . . . . B . 48 LEU O . . . . . . . . . rr_2fyl 1 . 1 . 2034 . 2 2 49 THR C C 3.567 -13.647 3.958 . . . 1.0 . . . . . . . . . . . . B . 49 THR C . . . . . . . . . rr_2fyl 1 . 1 . 2035 . 2 2 49 THR CA C 4.633 -14.194 4.876 . . . 1.0 . . . . . . . . . . . . B . 49 THR CA . . . . . . . . . rr_2fyl 1 . 1 . 2036 . 2 2 49 THR CB C 4.894 -13.204 6.031 . . . 1.0 . . . . . . . . . . . . B . 49 THR CB . . . . . . . . . rr_2fyl 1 . 1 . 2037 . 2 2 49 THR CG2 C 5.433 -13.923 7.259 . . . 1.0 . . . . . . . . . . . . B . 49 THR CG2 . . . . . . . . . rr_2fyl 1 . 1 . 2038 . 2 2 49 THR H H 6.002 -13.778 3.333 . . . 1.0 . . . . . . . . . . . . B . 49 THR H . . . . . . . . . rr_2fyl 1 . 1 . 2039 . 2 2 49 THR HA H 4.316 -15.144 5.280 . . . 1.0 . . . . . . . . . . . . B . 49 THR HA . . . . . . . . . rr_2fyl 1 . 1 . 2040 . 2 2 49 THR HB H 3.960 -12.728 6.291 . . . 1.0 . . . . . . . . . . . . B . 49 THR HB . . . . . . . . . rr_2fyl 1 . 1 . 2041 . 2 2 49 THR HG1 H 5.363 -11.532 5.084 . . . 1.0 . . . . . . . . . . . . B . 49 THR HG1 . . . . . . . . . rr_2fyl 1 . 1 . 2042 . 2 2 49 THR HG21 H 5.645 -13.200 8.033 . . . 1.0 . . . . . . . . . . . . B . 49 THR HG21 . . . . . . . . . rr_2fyl 1 . 1 . 2043 . 2 2 49 THR HG22 H 6.339 -14.449 6.999 . . . 1.0 . . . . . . . . . . . . B . 49 THR HG22 . . . . . . . . . rr_2fyl 1 . 1 . 2044 . 2 2 49 THR HG23 H 4.697 -14.628 7.617 . . . 1.0 . . . . . . . . . . . . B . 49 THR HG23 . . . . . . . . . rr_2fyl 1 . 1 . 2045 . 2 2 49 THR N N 5.829 -14.400 4.074 . . . 1.0 . . . . . . . . . . . . B . 49 THR N . . . . . . . . . rr_2fyl 1 . 1 . 2046 . 2 2 49 THR O O 3.244 -12.459 3.987 . . . 1.0 . . . . . . . . . . . . B . 49 THR O . . . . . . . . . rr_2fyl 1 . 1 . 2047 . 2 2 49 THR OG1 O 5.828 -12.198 5.605 . . . 1.0 . . . . . . . . . . . . B . 49 THR OG1 . . . . . . . . . rr_2fyl 1 . 1 . 2048 . 2 2 50 GLN C C 0.717 -14.817 2.232 . . . 1.0 . . . . . . . . . . . . B . 50 GLN C . . . . . . . . . rr_2fyl 1 . 1 . 2049 . 2 2 50 GLN CA C 2.070 -14.121 2.140 . . . 1.0 . . . . . . . . . . . . B . 50 GLN CA . . . . . . . . . rr_2fyl 1 . 1 . 2050 . 2 2 50 GLN CB C 2.681 -14.417 0.779 . . . 1.0 . . . . . . . . . . . . B . 50 GLN CB . . . . . . . . . rr_2fyl 1 . 1 . 2051 . 2 2 50 GLN CD C 2.156 -14.644 -1.669 . . . 1.0 . . . . . . . . . . . . B . 50 GLN CD . . . . . . . . . rr_2fyl 1 . 1 . 2052 . 2 2 50 GLN CG C 1.846 -13.926 -0.371 . . . 1.0 . . . . . . . . . . . . B . 50 GLN CG . . . . . . . . . rr_2fyl 1 . 1 . 2053 . 2 2 50 GLN H H 3.256 -15.469 3.226 . . . 1.0 . . . . . . . . . . . . B . 50 GLN H . . . . . . . . . rr_2fyl 1 . 1 . 2054 . 2 2 50 GLN HA H 1.925 -13.057 2.225 . . . 1.0 . . . . . . . . . . . . B . 50 GLN HA . . . . . . . . . rr_2fyl 1 . 1 . 2055 . 2 2 50 GLN HB2 H 3.650 -13.943 0.722 . . . 1.0 . . . . . . . . . . . . B . 50 GLN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2056 . 2 2 50 GLN HB3 H 2.807 -15.486 0.677 . . . 1.0 . . . . . . . . . . . . B . 50 GLN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2057 . 2 2 50 GLN HE21 H 4.067 -14.816 -1.150 . . . 1.0 . . . . . . . . . . . . B . 50 GLN HE21 . . . . . . . . . rr_2fyl 1 . 1 . 2058 . 2 2 50 GLN HE22 H 3.641 -15.473 -2.698 . . . 1.0 . . . . . . . . . . . . B . 50 GLN HE22 . . . . . . . . . rr_2fyl 1 . 1 . 2059 . 2 2 50 GLN HG2 H 0.807 -14.073 -0.126 . . . 1.0 . . . . . . . . . . . . B . 50 GLN HG2 . . . . . . . . . rr_2fyl 1 . 1 . 2060 . 2 2 50 GLN HG3 H 2.042 -12.874 -0.498 . . . 1.0 . . . . . . . . . . . . B . 50 GLN HG3 . . . . . . . . . rr_2fyl 1 . 1 . 2061 . 2 2 50 GLN N N 3.022 -14.525 3.143 . . . 1.0 . . . . . . . . . . . . B . 50 GLN N . . . . . . . . . rr_2fyl 1 . 1 . 2062 . 2 2 50 GLN NE2 N 3.413 -15.018 -1.856 . . . 1.0 . . . . . . . . . . . . B . 50 GLN NE2 . . . . . . . . . rr_2fyl 1 . 1 . 2063 . 2 2 50 GLN O O 0.607 -15.976 2.632 . . . 1.0 . . . . . . . . . . . . B . 50 GLN O . . . . . . . . . rr_2fyl 1 . 1 . 2064 . 2 2 50 GLN OE1 O 1.273 -14.863 -2.495 . . . 1.0 . . . . . . . . . . . . B . 50 GLN OE1 . . . . . . . . . rr_2fyl 1 . 1 . 2065 . 2 2 51 PHE C C -2.116 -14.248 0.337 . . . 1.0 . . . . . . . . . . . . B . 51 PHE C . . . . . . . . . rr_2fyl 1 . 1 . 2066 . 2 2 51 PHE CA C -1.670 -14.521 1.772 . . . 1.0 . . . . . . . . . . . . B . 51 PHE CA . . . . . . . . . rr_2fyl 1 . 1 . 2067 . 2 2 51 PHE CB C -2.543 -13.785 2.802 . . . 1.0 . . . . . . . . . . . . B . 51 PHE CB . . . . . . . . . rr_2fyl 1 . 1 . 2068 . 2 2 51 PHE CD1 C -4.670 -15.051 3.285 . . . 1.0 . . . . . . . . . . . . B . 51 PHE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 2069 . 2 2 51 PHE CD2 C -4.796 -13.087 1.948 . . . 1.0 . . . . . . . . . . . . B . 51 PHE CD2 . . . . . . . . . rr_2fyl 1 . 1 . 2070 . 2 2 51 PHE CE1 C -6.043 -15.206 3.184 . . . 1.0 . . . . . . . . . . . . B . 51 PHE CE1 . . . . . . . . . rr_2fyl 1 . 1 . 2071 . 2 2 51 PHE CE2 C -6.161 -13.234 1.837 . . . 1.0 . . . . . . . . . . . . B . 51 PHE CE2 . . . . . . . . . rr_2fyl 1 . 1 . 2072 . 2 2 51 PHE CG C -4.032 -13.988 2.667 . . . 1.0 . . . . . . . . . . . . B . 51 PHE CG . . . . . . . . . rr_2fyl 1 . 1 . 2073 . 2 2 51 PHE CZ C -6.788 -14.293 2.458 . . . 1.0 . . . . . . . . . . . . B . 51 PHE CZ . . . . . . . . . rr_2fyl 1 . 1 . 2074 . 2 2 51 PHE H H -0.115 -13.122 1.613 . . . 1.0 . . . . . . . . . . . . B . 51 PHE H . . . . . . . . . rr_2fyl 1 . 1 . 2075 . 2 2 51 PHE HA H -1.687 -15.587 1.960 . . . 1.0 . . . . . . . . . . . . B . 51 PHE HA . . . . . . . . . rr_2fyl 1 . 1 . 2076 . 2 2 51 PHE HB2 H -2.265 -14.121 3.785 . . . 1.0 . . . . . . . . . . . . B . 51 PHE HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2077 . 2 2 51 PHE HB3 H -2.346 -12.725 2.726 . . . 1.0 . . . . . . . . . . . . B . 51 PHE HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2078 . 2 2 51 PHE HD1 H -4.089 -15.764 3.851 . . . 1.0 . . . . . . . . . . . . B . 51 PHE HD1 . . . . . . . . . rr_2fyl 1 . 1 . 2079 . 2 2 51 PHE HD2 H -4.306 -12.262 1.459 . . . 1.0 . . . . . . . . . . . . B . 51 PHE HD2 . . . . . . . . . rr_2fyl 1 . 1 . 2080 . 2 2 51 PHE HE1 H -6.531 -16.037 3.669 . . . 1.0 . . . . . . . . . . . . B . 51 PHE HE1 . . . . . . . . . rr_2fyl 1 . 1 . 2081 . 2 2 51 PHE HE2 H -6.739 -12.513 1.272 . . . 1.0 . . . . . . . . . . . . B . 51 PHE HE2 . . . . . . . . . rr_2fyl 1 . 1 . 2082 . 2 2 51 PHE HZ H -7.857 -14.407 2.378 . . . 1.0 . . . . . . . . . . . . B . 51 PHE HZ . . . . . . . . . rr_2fyl 1 . 1 . 2083 . 2 2 51 PHE N N -0.299 -14.060 1.853 . . . 1.0 . . . . . . . . . . . . B . 51 PHE N . . . . . . . . . rr_2fyl 1 . 1 . 2084 . 2 2 51 PHE O O -1.553 -13.368 -0.321 . . . 1.0 . . . . . . . . . . . . B . 51 PHE O . . . . . . . . . rr_2fyl 1 . 1 . 2085 . 2 2 52 THR C C -4.832 -13.973 -1.618 . . . 1.0 . . . . . . . . . . . . B . 52 THR C . . . . . . . . . rr_2fyl 1 . 1 . 2086 . 2 2 52 THR CA C -3.538 -14.771 -1.523 . . . 1.0 . . . . . . . . . . . . B . 52 THR CA . . . . . . . . . rr_2fyl 1 . 1 . 2087 . 2 2 52 THR CB C -3.731 -16.137 -2.198 . . . 1.0 . . . . . . . . . . . . B . 52 THR CB . . . . . . . . . rr_2fyl 1 . 1 . 2088 . 2 2 52 THR CG2 C -2.616 -16.418 -3.196 . . . 1.0 . . . . . . . . . . . . B . 52 THR CG2 . . . . . . . . . rr_2fyl 1 . 1 . 2089 . 2 2 52 THR H H -3.564 -15.612 0.404 . . . 1.0 . . . . . . . . . . . . B . 52 THR H . . . . . . . . . rr_2fyl 1 . 1 . 2090 . 2 2 52 THR HA H -2.759 -14.242 -2.049 . . . 1.0 . . . . . . . . . . . . B . 52 THR HA . . . . . . . . . rr_2fyl 1 . 1 . 2091 . 2 2 52 THR HB H -4.673 -16.130 -2.720 . . . 1.0 . . . . . . . . . . . . B . 52 THR HB . . . . . . . . . rr_2fyl 1 . 1 . 2092 . 2 2 52 THR HG1 H -3.344 -17.963 -1.546 . . . 1.0 . . . . . . . . . . . . B . 52 THR HG1 . . . . . . . . . rr_2fyl 1 . 1 . 2093 . 2 2 52 THR HG21 H -2.769 -17.389 -3.642 . . . 1.0 . . . . . . . . . . . . B . 52 THR HG21 . . . . . . . . . rr_2fyl 1 . 1 . 2094 . 2 2 52 THR HG22 H -1.664 -16.402 -2.686 . . . 1.0 . . . . . . . . . . . . B . 52 THR HG22 . . . . . . . . . rr_2fyl 1 . 1 . 2095 . 2 2 52 THR HG23 H -2.622 -15.661 -3.966 . . . 1.0 . . . . . . . . . . . . B . 52 THR HG23 . . . . . . . . . rr_2fyl 1 . 1 . 2096 . 2 2 52 THR N N -3.113 -14.950 -0.152 . . . 1.0 . . . . . . . . . . . . B . 52 THR N . . . . . . . . . rr_2fyl 1 . 1 . 2097 . 2 2 52 THR O O -5.908 -14.464 -1.281 . . . 1.0 . . . . . . . . . . . . B . 52 THR O . . . . . . . . . rr_2fyl 1 . 1 . 2098 . 2 2 52 THR OG1 O -3.757 -17.165 -1.197 . . . 1.0 . . . . . . . . . . . . B . 52 THR OG1 . . . . . . . . . rr_2fyl 1 . 1 . 2099 . 2 2 53 CYS C C -6.766 -12.250 -3.381 . . . 1.0 . . . . . . . . . . . . B . 53 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 2100 . 2 2 53 CYS CA C -5.873 -11.860 -2.205 . . . 1.0 . . . . . . . . . . . . B . 53 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 2101 . 2 2 53 CYS CB C -5.466 -10.409 -2.379 . . . 1.0 . . . . . . . . . . . . B . 53 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 2102 . 2 2 53 CYS H H -3.811 -12.366 -2.257 . . . 1.0 . . . . . . . . . . . . B . 53 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 2103 . 2 2 53 CYS HA H -6.447 -11.945 -1.299 . . . 1.0 . . . . . . . . . . . . B . 53 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 2104 . 2 2 53 CYS HB2 H -4.394 -10.330 -2.308 . . . 1.0 . . . . . . . . . . . . B . 53 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2105 . 2 2 53 CYS HB3 H -5.787 -10.082 -3.361 . . . 1.0 . . . . . . . . . . . . B . 53 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2106 . 2 2 53 CYS N N -4.712 -12.723 -2.059 . . . 1.0 . . . . . . . . . . . . B . 53 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 2107 . 2 2 53 CYS O O -6.658 -13.347 -3.930 . . . 1.0 . . . . . . . . . . . . B . 53 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 2108 . 2 2 53 CYS SG S -6.207 -9.282 -1.148 . . . 1.0 . . . . . . . . . . . . B . 53 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 2109 . 2 2 54 ASN C C -8.225 -12.337 -5.960 . . . 1.0 . . . . . . . . . . . . B . 54 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 2110 . 2 2 54 ASN CA C -8.621 -11.422 -4.813 . . . 1.0 . . . . . . . . . . . . B . 54 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 2111 . 2 2 54 ASN CB C -8.947 -10.044 -5.375 . . . 1.0 . . . . . . . . . . . . B . 54 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 2112 . 2 2 54 ASN CG C -10.430 -9.763 -5.366 . . . 1.0 . . . . . . . . . . . . B . 54 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 2113 . 2 2 54 ASN H H -7.634 -10.455 -3.233 . . . 1.0 . . . . . . . . . . . . B . 54 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 2114 . 2 2 54 ASN HA H -9.520 -11.814 -4.369 . . . 1.0 . . . . . . . . . . . . B . 54 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 2115 . 2 2 54 ASN HB2 H -8.451 -9.289 -4.781 . . . 1.0 . . . . . . . . . . . . B . 54 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2116 . 2 2 54 ASN HB3 H -8.592 -9.985 -6.393 . . . 1.0 . . . . . . . . . . . . B . 54 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2117 . 2 2 54 ASN HD21 H -10.073 -7.810 -5.288 . . . 1.0 . . . . . . . . . . . . B . 54 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 2118 . 2 2 54 ASN HD22 H -11.732 -8.279 -5.293 . . . 1.0 . . . . . . . . . . . . B . 54 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 2119 . 2 2 54 ASN N N -7.636 -11.300 -3.741 . . . 1.0 . . . . . . . . . . . . B . 54 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 2120 . 2 2 54 ASN ND2 N -10.784 -8.493 -5.310 . . . 1.0 . . . . . . . . . . . . B . 54 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 2121 . 2 2 54 ASN O O -7.451 -11.969 -6.843 . . . 1.0 . . . . . . . . . . . . B . 54 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 2122 . 2 2 54 ASN OD1 O -11.247 -10.679 -5.421 . . . 1.0 . . . . . . . . . . . . B . 54 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2123 . 2 2 55 ASN C C -7.141 -14.945 -7.233 . . . 1.0 . . . . . . . . . . . . B . 55 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 2124 . 2 2 55 ASN CA C -8.590 -14.564 -6.921 . . . 1.0 . . . . . . . . . . . . B . 55 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 2125 . 2 2 55 ASN CB C -9.303 -14.105 -8.195 . . . 1.0 . . . . . . . . . . . . B . 55 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 2126 . 2 2 55 ASN CG C -10.669 -14.748 -8.361 . . . 1.0 . . . . . . . . . . . . B . 55 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 2127 . 2 2 55 ASN H H -9.243 -13.774 -5.077 . . . 1.0 . . . . . . . . . . . . B . 55 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 2128 . 2 2 55 ASN HA H -9.094 -15.451 -6.565 . . . 1.0 . . . . . . . . . . . . B . 55 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 2129 . 2 2 55 ASN HB2 H -9.433 -13.033 -8.161 . . . 1.0 . . . . . . . . . . . . B . 55 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2130 . 2 2 55 ASN HB3 H -8.697 -14.363 -9.051 . . . 1.0 . . . . . . . . . . . . B . 55 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2131 . 2 2 55 ASN HD21 H -11.512 -13.411 -7.138 . . . 1.0 . . . . . . . . . . . . B . 55 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 2132 . 2 2 55 ASN HD22 H -12.572 -14.608 -7.798 . . . 1.0 . . . . . . . . . . . . B . 55 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 2133 . 2 2 55 ASN N N -8.746 -13.546 -5.885 . . . 1.0 . . . . . . . . . . . . B . 55 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 2134 . 2 2 55 ASN ND2 N -11.684 -14.200 -7.700 . . . 1.0 . . . . . . . . . . . . B . 55 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 2135 . 2 2 55 ASN O O -6.815 -15.245 -8.380 . . . 1.0 . . . . . . . . . . . . B . 55 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 2136 . 2 2 55 ASN OD1 O -10.813 -15.738 -9.078 . . . 1.0 . . . . . . . . . . . . B . 55 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2137 . 2 2 56 GLY C C -3.869 -14.256 -6.417 . . . 1.0 . . . . . . . . . . . . B . 56 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 2138 . 2 2 56 GLY CA C -4.903 -15.364 -6.466 . . . 1.0 . . . . . . . . . . . . B . 56 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 2139 . 2 2 56 GLY H H -6.564 -14.658 -5.333 . . . 1.0 . . . . . . . . . . . . B . 56 GLY H . . . . . . . . . rr_2fyl 1 . 1 . 2140 . 2 2 56 GLY HA2 H -4.641 -16.100 -5.722 . . . 1.0 . . . . . . . . . . . . B . 56 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 2141 . 2 2 56 GLY HA3 H -4.857 -15.834 -7.438 . . . 1.0 . . . . . . . . . . . . B . 56 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 2142 . 2 2 56 GLY N N -6.275 -14.944 -6.230 . . . 1.0 . . . . . . . . . . . . B . 56 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 2143 . 2 2 56 GLY O O -2.777 -14.404 -6.970 . . . 1.0 . . . . . . . . . . . . B . 56 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 2144 . 2 2 57 ARG C C -2.336 -12.297 -4.451 . . . 1.0 . . . . . . . . . . . . B . 57 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 2145 . 2 2 57 ARG CA C -3.229 -12.057 -5.660 . . . 1.0 . . . . . . . . . . . . B . 57 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 2146 . 2 2 57 ARG CB C -3.963 -10.735 -5.520 . . . 1.0 . . . . . . . . . . . . B . 57 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 2147 . 2 2 57 ARG CD C -5.674 -9.314 -6.597 . . . 1.0 . . . . . . . . . . . . B . 57 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 2148 . 2 2 57 ARG CG C -4.448 -10.161 -6.834 . . . 1.0 . . . . . . . . . . . . B . 57 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 2149 . 2 2 57 ARG CZ C -7.204 -7.854 -7.826 . . . 1.0 . . . . . . . . . . . . B . 57 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 2150 . 2 2 57 ARG H H -5.076 -13.050 -5.371 . . . 1.0 . . . . . . . . . . . . B . 57 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 2151 . 2 2 57 ARG HA H -2.623 -12.041 -6.552 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 2152 . 2 2 57 ARG HB2 H -4.827 -10.889 -4.889 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2153 . 2 2 57 ARG HB3 H -3.307 -10.015 -5.055 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2154 . 2 2 57 ARG HD2 H -6.428 -9.933 -6.132 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 2155 . 2 2 57 ARG HD3 H -5.412 -8.509 -5.926 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 2156 . 2 2 57 ARG HE H -5.860 -9.069 -8.679 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 2157 . 2 2 57 ARG HG2 H -3.669 -9.550 -7.268 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 2158 . 2 2 57 ARG HG3 H -4.699 -10.969 -7.504 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 2159 . 2 2 57 ARG HH11 H -7.265 -7.685 -5.807 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 2160 . 2 2 57 ARG HH12 H -8.435 -6.723 -6.666 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 2161 . 2 2 57 ARG HH21 H -7.360 -7.756 -9.843 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 2162 . 2 2 57 ARG HH22 H -8.466 -6.740 -8.960 . . . 1.0 . . . . . . . . . . . . B . 57 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 2163 . 2 2 57 ARG N N -4.186 -13.145 -5.776 . . . 1.0 . . . . . . . . . . . . B . 57 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 2164 . 2 2 57 ARG NE N -6.224 -8.748 -7.821 . . . 1.0 . . . . . . . . . . . . B . 57 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 2165 . 2 2 57 ARG NH1 N -7.662 -7.380 -6.675 . . . 1.0 . . . . . . . . . . . . B . 57 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 2166 . 2 2 57 ARG NH2 N -7.712 -7.417 -8.967 . . . 1.0 . . . . . . . . . . . . B . 57 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 2167 . 2 2 57 ARG O O -2.546 -13.249 -3.714 . . . 1.0 . . . . . . . . . . . . B . 57 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 2168 . 2 2 58 CYS C C -0.547 -10.455 -2.136 . . . 1.0 . . . . . . . . . . . . B . 58 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 2169 . 2 2 58 CYS CA C -0.465 -11.634 -3.092 . . . 1.0 . . . . . . . . . . . . B . 58 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 2170 . 2 2 58 CYS CB C 0.989 -11.788 -3.545 . . . 1.0 . . . . . . . . . . . . B . 58 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 2171 . 2 2 58 CYS H H -1.206 -10.699 -4.843 . . . 1.0 . . . . . . . . . . . . B . 58 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 2172 . 2 2 58 CYS HA H -0.771 -12.532 -2.570 . . . 1.0 . . . . . . . . . . . . B . 58 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 2173 . 2 2 58 CYS HB2 H 1.405 -10.808 -3.722 . . . 1.0 . . . . . . . . . . . . B . 58 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2174 . 2 2 58 CYS HB3 H 1.548 -12.271 -2.757 . . . 1.0 . . . . . . . . . . . . B . 58 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2175 . 2 2 58 CYS N N -1.351 -11.451 -4.233 . . . 1.0 . . . . . . . . . . . . B . 58 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 2176 . 2 2 58 CYS O O -0.272 -9.320 -2.522 . . . 1.0 . . . . . . . . . . . . B . 58 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 2177 . 2 2 58 CYS SG S 1.227 -12.762 -5.065 . . . 1.0 . . . . . . . . . . . . B . 58 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 2178 . 2 2 59 ILE C C -0.305 -10.132 1.366 . . . 1.0 . . . . . . . . . . . . B . 59 ILE C . . . . . . . . . rr_2fyl 1 . 1 . 2179 . 2 2 59 ILE CA C -1.005 -9.663 0.102 . . . 1.0 . . . . . . . . . . . . B . 59 ILE CA . . . . . . . . . rr_2fyl 1 . 1 . 2180 . 2 2 59 ILE CB C -2.430 -9.175 0.457 . . . 1.0 . . . . . . . . . . . . B . 59 ILE CB . . . . . . . . . rr_2fyl 1 . 1 . 2181 . 2 2 59 ILE CD1 C -4.484 -9.865 1.800 . . . 1.0 . . . . . . . . . . . . B . 59 ILE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 2182 . 2 2 59 ILE CG1 C -3.331 -10.322 0.913 . . . 1.0 . . . . . . . . . . . . B . 59 ILE CG1 . . . . . . . . . rr_2fyl 1 . 1 . 2183 . 2 2 59 ILE CG2 C -3.044 -8.446 -0.721 . . . 1.0 . . . . . . . . . . . . B . 59 ILE CG2 . . . . . . . . . rr_2fyl 1 . 1 . 2184 . 2 2 59 ILE H H -1.204 -11.636 -0.654 . . . 1.0 . . . . . . . . . . . . B . 59 ILE H . . . . . . . . . rr_2fyl 1 . 1 . 2185 . 2 2 59 ILE HA H -0.464 -8.829 -0.305 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HA . . . . . . . . . rr_2fyl 1 . 1 . 2186 . 2 2 59 ILE HB H -2.338 -8.464 1.266 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HB . . . . . . . . . rr_2fyl 1 . 1 . 2187 . 2 2 59 ILE HD11 H -4.999 -9.044 1.323 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HD11 . . . . . . . . . rr_2fyl 1 . 1 . 2188 . 2 2 59 ILE HD12 H -4.098 -9.543 2.754 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HD12 . . . . . . . . . rr_2fyl 1 . 1 . 2189 . 2 2 59 ILE HD13 H -5.179 -10.683 1.952 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HD13 . . . . . . . . . rr_2fyl 1 . 1 . 2190 . 2 2 59 ILE HG12 H -3.753 -10.811 0.046 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HG12 . . . . . . . . . rr_2fyl 1 . 1 . 2191 . 2 2 59 ILE HG13 H -2.740 -11.032 1.473 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HG13 . . . . . . . . . rr_2fyl 1 . 1 . 2192 . 2 2 59 ILE HG21 H -2.897 -9.029 -1.618 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HG21 . . . . . . . . . rr_2fyl 1 . 1 . 2193 . 2 2 59 ILE HG22 H -2.569 -7.482 -0.836 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HG22 . . . . . . . . . rr_2fyl 1 . 1 . 2194 . 2 2 59 ILE HG23 H -4.101 -8.310 -0.549 . . . 1.0 . . . . . . . . . . . . B . 59 ILE HG23 . . . . . . . . . rr_2fyl 1 . 1 . 2195 . 2 2 59 ILE N N -0.954 -10.714 -0.901 . . . 1.0 . . . . . . . . . . . . B . 59 ILE N . . . . . . . . . rr_2fyl 1 . 1 . 2196 . 2 2 59 ILE O O 0.074 -11.303 1.465 . . . 1.0 . . . . . . . . . . . . B . 59 ILE O . . . . . . . . . rr_2fyl 1 . 1 . 2197 . 2 2 60 ASN C C -0.279 -10.646 4.291 . . . 1.0 . . . . . . . . . . . . B . 60 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 2198 . 2 2 60 ASN CA C 0.534 -9.575 3.575 . . . 1.0 . . . . . . . . . . . . B . 60 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 2199 . 2 2 60 ASN CB C 0.692 -8.333 4.459 . . . 1.0 . . . . . . . . . . . . B . 60 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 2200 . 2 2 60 ASN CG C 1.641 -8.548 5.628 . . . 1.0 . . . . . . . . . . . . B . 60 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 2201 . 2 2 60 ASN H H -0.437 -8.313 2.181 . . . 1.0 . . . . . . . . . . . . B . 60 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 2202 . 2 2 60 ASN HA H 1.511 -9.974 3.345 . . . 1.0 . . . . . . . . . . . . B . 60 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 2203 . 2 2 60 ASN HB2 H 1.075 -7.522 3.860 . . . 1.0 . . . . . . . . . . . . B . 60 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2204 . 2 2 60 ASN HB3 H -0.275 -8.056 4.854 . . . 1.0 . . . . . . . . . . . . B . 60 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2205 . 2 2 60 ASN HD21 H 2.333 -6.697 5.436 . . . 1.0 . . . . . . . . . . . . B . 60 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 2206 . 2 2 60 ASN HD22 H 3.040 -7.634 6.704 . . . 1.0 . . . . . . . . . . . . B . 60 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 2207 . 2 2 60 ASN N N -0.119 -9.229 2.320 . . . 1.0 . . . . . . . . . . . . B . 60 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 2208 . 2 2 60 ASN ND2 N 2.415 -7.523 5.956 . . . 1.0 . . . . . . . . . . . . B . 60 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 2209 . 2 2 60 ASN O O -1.502 -10.543 4.392 . . . 1.0 . . . . . . . . . . . . B . 60 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 2210 . 2 2 60 ASN OD1 O 1.682 -9.619 6.231 . . . 1.0 . . . . . . . . . . . . B . 60 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2211 . 2 2 61 ILE C C -0.925 -12.313 6.745 . . . 1.0 . . . . . . . . . . . . B . 61 ILE C . . . . . . . . . rr_2fyl 1 . 1 . 2212 . 2 2 61 ILE CA C -0.254 -12.784 5.455 . . . 1.0 . . . . . . . . . . . . B . 61 ILE CA . . . . . . . . . rr_2fyl 1 . 1 . 2213 . 2 2 61 ILE CB C 0.753 -13.927 5.748 . . . 1.0 . . . . . . . . . . . . B . 61 ILE CB . . . . . . . . . rr_2fyl 1 . 1 . 2214 . 2 2 61 ILE CD1 C -0.488 -15.648 7.206 . . . 1.0 . . . . . . . . . . . . B . 61 ILE CD1 . . . . . . . . . rr_2fyl 1 . 1 . 2215 . 2 2 61 ILE CG1 C 0.039 -15.289 5.830 . . . 1.0 . . . . . . . . . . . . B . 61 ILE CG1 . . . . . . . . . rr_2fyl 1 . 1 . 2216 . 2 2 61 ILE CG2 C 1.549 -13.643 7.011 . . . 1.0 . . . . . . . . . . . . B . 61 ILE CG2 . . . . . . . . . rr_2fyl 1 . 1 . 2217 . 2 2 61 ILE H H 1.377 -11.706 4.648 . . . 1.0 . . . . . . . . . . . . B . 61 ILE H . . . . . . . . . rr_2fyl 1 . 1 . 2218 . 2 2 61 ILE HA H -1.008 -13.169 4.799 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HA . . . . . . . . . rr_2fyl 1 . 1 . 2219 . 2 2 61 ILE HB H 1.456 -13.958 4.927 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HB . . . . . . . . . rr_2fyl 1 . 1 . 2220 . 2 2 61 ILE HD11 H -1.081 -16.547 7.141 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HD11 . . . . . . . . . rr_2fyl 1 . 1 . 2221 . 2 2 61 ILE HD12 H -1.100 -14.839 7.578 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HD12 . . . . . . . . . rr_2fyl 1 . 1 . 2222 . 2 2 61 ILE HD13 H 0.341 -15.810 7.878 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HD13 . . . . . . . . . rr_2fyl 1 . 1 . 2223 . 2 2 61 ILE HG12 H -0.800 -15.285 5.151 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HG12 . . . . . . . . . rr_2fyl 1 . 1 . 2224 . 2 2 61 ILE HG13 H 0.729 -16.065 5.530 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HG13 . . . . . . . . . rr_2fyl 1 . 1 . 2225 . 2 2 61 ILE HG21 H 0.884 -13.638 7.863 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HG21 . . . . . . . . . rr_2fyl 1 . 1 . 2226 . 2 2 61 ILE HG22 H 2.026 -12.679 6.921 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HG22 . . . . . . . . . rr_2fyl 1 . 1 . 2227 . 2 2 61 ILE HG23 H 2.299 -14.407 7.140 . . . 1.0 . . . . . . . . . . . . B . 61 ILE HG23 . . . . . . . . . rr_2fyl 1 . 1 . 2228 . 2 2 61 ILE N N 0.403 -11.682 4.766 . . . 1.0 . . . . . . . . . . . . B . 61 ILE N . . . . . . . . . rr_2fyl 1 . 1 . 2229 . 2 2 61 ILE O O -1.892 -12.915 7.217 . . . 1.0 . . . . . . . . . . . . B . 61 ILE O . . . . . . . . . rr_2fyl 1 . 1 . 2230 . 2 2 62 ASN C C -1.921 -9.501 8.253 . . . 1.0 . . . . . . . . . . . . B . 62 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 2231 . 2 2 62 ASN CA C -0.981 -10.673 8.522 . . . 1.0 . . . . . . . . . . . . B . 62 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 2232 . 2 2 62 ASN CB C 0.150 -10.242 9.451 . . . 1.0 . . . . . . . . . . . . B . 62 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 2233 . 2 2 62 ASN CG C -0.178 -10.500 10.906 . . . 1.0 . . . . . . . . . . . . B . 62 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 2234 . 2 2 62 ASN H H 0.302 -10.747 6.841 . . . 1.0 . . . . . . . . . . . . B . 62 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 2235 . 2 2 62 ASN HA H -1.543 -11.461 9.005 . . . 1.0 . . . . . . . . . . . . B . 62 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 2236 . 2 2 62 ASN HB2 H 1.046 -10.793 9.199 . . . 1.0 . . . . . . . . . . . . B . 62 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2237 . 2 2 62 ASN HB3 H 0.331 -9.186 9.321 . . . 1.0 . . . . . . . . . . . . B . 62 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2238 . 2 2 62 ASN HD21 H 0.851 -8.898 11.453 . . . 1.0 . . . . . . . . . . . . B . 62 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 2239 . 2 2 62 ASN HD22 H 0.117 -9.797 12.730 . . . 1.0 . . . . . . . . . . . . B . 62 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 2240 . 2 2 62 ASN N N -0.439 -11.212 7.287 . . . 1.0 . . . . . . . . . . . . B . 62 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 2241 . 2 2 62 ASN ND2 N 0.310 -9.646 11.785 . . . 1.0 . . . . . . . . . . . . B . 62 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 2242 . 2 2 62 ASN O O -1.810 -8.446 8.877 . . . 1.0 . . . . . . . . . . . . B . 62 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 2243 . 2 2 62 ASN OD1 O -0.867 -11.465 11.240 . . . 1.0 . . . . . . . . . . . . B . 62 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2244 . 2 2 63 TRP C C -5.189 -9.029 7.514 . . . 1.0 . . . . . . . . . . . . B . 63 TRP C . . . . . . . . . rr_2fyl 1 . 1 . 2245 . 2 2 63 TRP CA C -3.812 -8.651 6.987 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CA . . . . . . . . . rr_2fyl 1 . 1 . 2246 . 2 2 63 TRP CB C -3.866 -8.430 5.476 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CB . . . . . . . . . rr_2fyl 1 . 1 . 2247 . 2 2 63 TRP CD1 C -2.069 -6.611 5.645 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CD1 . . . . . . . . . rr_2fyl 1 . 1 . 2248 . 2 2 63 TRP CD2 C -3.448 -6.378 3.896 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CD2 . . . . . . . . . rr_2fyl 1 . 1 . 2249 . 2 2 63 TRP CE2 C -2.515 -5.326 3.875 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CE2 . . . . . . . . . rr_2fyl 1 . 1 . 2250 . 2 2 63 TRP CE3 C -4.418 -6.438 2.893 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CE3 . . . . . . . . . rr_2fyl 1 . 1 . 2251 . 2 2 63 TRP CG C -3.144 -7.192 5.036 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CG . . . . . . . . . rr_2fyl 1 . 1 . 2252 . 2 2 63 TRP CH2 C -3.484 -4.427 1.916 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CH2 . . . . . . . . . rr_2fyl 1 . 1 . 2253 . 2 2 63 TRP CZ2 C -2.522 -4.343 2.884 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CZ2 . . . . . . . . . rr_2fyl 1 . 1 . 2254 . 2 2 63 TRP CZ3 C -4.427 -5.463 1.914 . . . 1.0 . . . . . . . . . . . . B . 63 TRP CZ3 . . . . . . . . . rr_2fyl 1 . 1 . 2255 . 2 2 63 TRP H H -2.862 -10.541 6.832 . . . 1.0 . . . . . . . . . . . . B . 63 TRP H . . . . . . . . . rr_2fyl 1 . 1 . 2256 . 2 2 63 TRP HA H -3.495 -7.739 7.466 . . . 1.0 . . . . . . . . . . . . B . 63 TRP HA . . . . . . . . . rr_2fyl 1 . 1 . 2257 . 2 2 63 TRP HB2 H -3.415 -9.275 4.978 . . . 1.0 . . . . . . . . . . . . B . 63 TRP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2258 . 2 2 63 TRP HB3 H -4.897 -8.344 5.168 . . . 1.0 . . . . . . . . . . . . B . 63 TRP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2259 . 2 2 63 TRP HD1 H -1.599 -6.991 6.540 . . . 1.0 . . . . . . . . . . . . B . 63 TRP HD1 . . . . . . . . . rr_2fyl 1 . 1 . 2260 . 2 2 63 TRP HE1 H -0.932 -4.900 5.186 . . . 1.0 . . . . . . . . . . . . B . 63 TRP HE1 . . . . . . . . . rr_2fyl 1 . 1 . 2261 . 2 2 63 TRP HE3 H -5.152 -7.228 2.873 . . . 1.0 . . . . . . . . . . . . B . 63 TRP HE3 . . . . . . . . . rr_2fyl 1 . 1 . 2262 . 2 2 63 TRP HH2 H -3.528 -3.687 1.133 . . . 1.0 . . . . . . . . . . . . B . 63 TRP HH2 . . . . . . . . . rr_2fyl 1 . 1 . 2263 . 2 2 63 TRP HZ2 H -1.802 -3.539 2.870 . . . 1.0 . . . . . . . . . . . . B . 63 TRP HZ2 . . . . . . . . . rr_2fyl 1 . 1 . 2264 . 2 2 63 TRP HZ3 H -5.172 -5.495 1.130 . . . 1.0 . . . . . . . . . . . . B . 63 TRP HZ3 . . . . . . . . . rr_2fyl 1 . 1 . 2265 . 2 2 63 TRP N N -2.844 -9.691 7.321 . . . 1.0 . . . . . . . . . . . . B . 63 TRP N . . . . . . . . . rr_2fyl 1 . 1 . 2266 . 2 2 63 TRP NE1 N -1.682 -5.491 4.949 . . . 1.0 . . . . . . . . . . . . B . 63 TRP NE1 . . . . . . . . . rr_2fyl 1 . 1 . 2267 . 2 2 63 TRP O O -6.165 -8.295 7.350 . . . 1.0 . . . . . . . . . . . . B . 63 TRP O . . . . . . . . . rr_2fyl 1 . 1 . 2268 . 2 2 64 ARG C C -7.096 -9.618 9.651 . . . 1.0 . . . . . . . . . . . . B . 64 ARG C . . . . . . . . . rr_2fyl 1 . 1 . 2269 . 2 2 64 ARG CA C -6.493 -10.677 8.744 . . . 1.0 . . . . . . . . . . . . B . 64 ARG CA . . . . . . . . . rr_2fyl 1 . 1 . 2270 . 2 2 64 ARG CB C -6.227 -11.972 9.498 . . . 1.0 . . . . . . . . . . . . B . 64 ARG CB . . . . . . . . . rr_2fyl 1 . 1 . 2271 . 2 2 64 ARG CD C -7.396 -13.718 8.138 . . . 1.0 . . . . . . . . . . . . B . 64 ARG CD . . . . . . . . . rr_2fyl 1 . 1 . 2272 . 2 2 64 ARG CG C -7.375 -12.964 9.456 . . . 1.0 . . . . . . . . . . . . B . 64 ARG CG . . . . . . . . . rr_2fyl 1 . 1 . 2273 . 2 2 64 ARG CZ C -8.120 -15.917 7.301 . . . 1.0 . . . . . . . . . . . . B . 64 ARG CZ . . . . . . . . . rr_2fyl 1 . 1 . 2274 . 2 2 64 ARG H H -4.433 -10.709 8.278 . . . 1.0 . . . . . . . . . . . . B . 64 ARG H . . . . . . . . . rr_2fyl 1 . 1 . 2275 . 2 2 64 ARG HA H -7.176 -10.869 7.943 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HA . . . . . . . . . rr_2fyl 1 . 1 . 2276 . 2 2 64 ARG HB2 H -5.365 -12.440 9.051 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2277 . 2 2 64 ARG HB3 H -6.011 -11.740 10.527 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2278 . 2 2 64 ARG HD2 H -8.106 -13.242 7.477 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HD2 . . . . . . . . . rr_2fyl 1 . 1 . 2279 . 2 2 64 ARG HD3 H -6.410 -13.672 7.696 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HD3 . . . . . . . . . rr_2fyl 1 . 1 . 2280 . 2 2 64 ARG HE H -7.760 -15.480 9.221 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HE . . . . . . . . . rr_2fyl 1 . 1 . 2281 . 2 2 64 ARG HG2 H -7.261 -13.671 10.262 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HG2 . . . . . . . . . rr_2fyl 1 . 1 . 2282 . 2 2 64 ARG HG3 H -8.307 -12.429 9.570 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HG3 . . . . . . . . . rr_2fyl 1 . 1 . 2283 . 2 2 64 ARG HH11 H -7.930 -14.480 5.865 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HH11 . . . . . . . . . rr_2fyl 1 . 1 . 2284 . 2 2 64 ARG HH12 H -8.410 -16.056 5.299 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HH12 . . . . . . . . . rr_2fyl 1 . 1 . 2285 . 2 2 64 ARG HH21 H -8.391 -17.542 8.477 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HH21 . . . . . . . . . rr_2fyl 1 . 1 . 2286 . 2 2 64 ARG HH22 H -8.685 -17.791 6.786 . . . 1.0 . . . . . . . . . . . . B . 64 ARG HH22 . . . . . . . . . rr_2fyl 1 . 1 . 2287 . 2 2 64 ARG N N -5.251 -10.181 8.173 . . . 1.0 . . . . . . . . . . . . B . 64 ARG N . . . . . . . . . rr_2fyl 1 . 1 . 2288 . 2 2 64 ARG NE N -7.773 -15.116 8.308 . . . 1.0 . . . . . . . . . . . . B . 64 ARG NE . . . . . . . . . rr_2fyl 1 . 1 . 2289 . 2 2 64 ARG NH1 N -8.158 -15.452 6.055 . . . 1.0 . . . . . . . . . . . . B . 64 ARG NH1 . . . . . . . . . rr_2fyl 1 . 1 . 2290 . 2 2 64 ARG NH2 N -8.420 -17.184 7.539 . . . 1.0 . . . . . . . . . . . . B . 64 ARG NH2 . . . . . . . . . rr_2fyl 1 . 1 . 2291 . 2 2 64 ARG O O -8.076 -8.971 9.273 . . . 1.0 . . . . . . . . . . . . B . 64 ARG O . . . . . . . . . rr_2fyl 1 . 1 . 2292 . 2 2 65 CYS C C -8.266 -8.690 12.421 . . . 1.0 . . . . . . . . . . . . B . 65 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 2293 . 2 2 65 CYS CA C -6.889 -8.432 11.801 . . . 1.0 . . . . . . . . . . . . B . 65 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 2294 . 2 2 65 CYS CB C -6.815 -7.036 11.158 . . . 1.0 . . . . . . . . . . . . B . 65 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 2295 . 2 2 65 CYS H H -5.730 -10.024 11.023 . . . 1.0 . . . . . . . . . . . . B . 65 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 2296 . 2 2 65 CYS HA H -6.171 -8.469 12.591 . . . 1.0 . . . . . . . . . . . . B . 65 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 2297 . 2 2 65 CYS HB2 H -7.153 -7.110 10.133 . . . 1.0 . . . . . . . . . . . . B . 65 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2298 . 2 2 65 CYS HB3 H -5.789 -6.706 11.163 . . . 1.0 . . . . . . . . . . . . B . 65 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2299 . 2 2 65 CYS N N -6.489 -9.444 10.814 . . . 1.0 . . . . . . . . . . . . B . 65 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 2300 . 2 2 65 CYS O O -8.367 -9.019 13.602 . . . 1.0 . . . . . . . . . . . . B . 65 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 2301 . 2 2 65 CYS SG S -6.214 -7.872 11.683 . . . 1.0 . . . . . . . . . . . . B . 65 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 2302 . 2 2 66 ASP C C -11.012 -10.168 12.478 . . . 1.0 . . . . . . . . . . . . B . 66 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 2303 . 2 2 66 ASP CA C -10.688 -8.735 12.064 . . . 1.0 . . . . . . . . . . . . B . 66 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 2304 . 2 2 66 ASP CB C -11.638 -8.307 10.956 . . . 1.0 . . . . . . . . . . . . B . 66 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 2305 . 2 2 66 ASP CG C -11.752 -9.339 9.849 . . . 1.0 . . . . . . . . . . . . B . 66 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 2306 . 2 2 66 ASP H H -9.135 -8.329 10.685 . . . 1.0 . . . . . . . . . . . . B . 66 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 2307 . 2 2 66 ASP HA H -10.842 -8.089 12.914 . . . 1.0 . . . . . . . . . . . . B . 66 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 2308 . 2 2 66 ASP HB2 H -12.619 -8.143 11.374 . . . 1.0 . . . . . . . . . . . . B . 66 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2309 . 2 2 66 ASP HB3 H -11.277 -7.387 10.523 . . . 1.0 . . . . . . . . . . . . B . 66 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2310 . 2 2 66 ASP N N -9.303 -8.561 11.619 . . . 1.0 . . . . . . . . . . . . B . 66 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 2311 . 2 2 66 ASP O O -12.083 -10.424 13.033 . . . 1.0 . . . . . . . . . . . . B . 66 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 2312 . 2 2 66 ASP OD1 O -10.719 -9.723 9.264 . . . 1.0 . . . . . . . . . . . . B . 66 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2313 . 2 2 66 ASP OD2 O -12.887 -9.777 9.578 . . . 1.0 . . . . . . . . . . . . B . 66 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 2314 . 2 2 67 ASN C C -11.236 -13.241 11.613 . . . 1.0 . . . . . . . . . . . . B . 67 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 2315 . 2 2 67 ASN CA C -10.254 -12.509 12.515 . . . 1.0 . . . . . . . . . . . . B . 67 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 2316 . 2 2 67 ASN CB C -10.659 -12.684 13.982 . . . 1.0 . . . . . . . . . . . . B . 67 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 2317 . 2 2 67 ASN CG C -9.469 -12.673 14.919 . . . 1.0 . . . . . . . . . . . . B . 67 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 2318 . 2 2 67 ASN H H -9.307 -10.808 11.684 . . . 1.0 . . . . . . . . . . . . B . 67 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 2319 . 2 2 67 ASN HA H -9.285 -12.963 12.378 . . . 1.0 . . . . . . . . . . . . B . 67 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 2320 . 2 2 67 ASN HB2 H -11.324 -11.879 14.261 . . . 1.0 . . . . . . . . . . . . B . 67 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2321 . 2 2 67 ASN HB3 H -11.178 -13.626 14.095 . . . 1.0 . . . . . . . . . . . . B . 67 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2322 . 2 2 67 ASN HD21 H -10.576 -13.441 16.370 . . . 1.0 . . . . . . . . . . . . B . 67 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 2323 . 2 2 67 ASN HD22 H -8.925 -13.133 16.766 . . . 1.0 . . . . . . . . . . . . B . 67 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 2324 . 2 2 67 ASN N N -10.108 -11.091 12.165 . . . 1.0 . . . . . . . . . . . . B . 67 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 2325 . 2 2 67 ASN ND2 N -9.678 -13.128 16.140 . . . 1.0 . . . . . . . . . . . . B . 67 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 2326 . 2 2 67 ASN O O -11.659 -14.353 11.927 . . . 1.0 . . . . . . . . . . . . B . 67 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 2327 . 2 2 67 ASN OD1 O -8.372 -12.246 14.552 . . . 1.0 . . . . . . . . . . . . B . 67 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2328 . 2 2 68 ASP C C -11.774 -13.549 8.256 . . . 1.0 . . . . . . . . . . . . B . 68 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 2329 . 2 2 68 ASP CA C -12.508 -13.279 9.558 . . . 1.0 . . . . . . . . . . . . B . 68 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 2330 . 2 2 68 ASP CB C -13.768 -12.453 9.295 . . . 1.0 . . . . . . . . . . . . B . 68 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 2331 . 2 2 68 ASP CG C -15.000 -13.050 9.941 . . . 1.0 . . . . . . . . . . . . B . 68 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 2332 . 2 2 68 ASP H H -11.259 -11.734 10.296 . . . 1.0 . . . . . . . . . . . . B . 68 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 2333 . 2 2 68 ASP HA H -12.793 -14.226 9.990 . . . 1.0 . . . . . . . . . . . . B . 68 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 2334 . 2 2 68 ASP HB2 H -13.627 -11.459 9.687 . . . 1.0 . . . . . . . . . . . . B . 68 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2335 . 2 2 68 ASP HB3 H -13.934 -12.395 8.231 . . . 1.0 . . . . . . . . . . . . B . 68 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2336 . 2 2 68 ASP N N -11.603 -12.631 10.498 . . . 1.0 . . . . . . . . . . . . B . 68 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 2337 . 2 2 68 ASP O O -10.553 -13.359 8.175 . . . 1.0 . . . . . . . . . . . . B . 68 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 2338 . 2 2 68 ASP OD1 O -15.486 -14.095 9.454 . . . 1.0 . . . . . . . . . . . . B . 68 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2339 . 2 2 68 ASP OD2 O -15.495 -12.467 10.929 . . . 1.0 . . . . . . . . . . . . B . 68 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 2340 . 2 2 69 ASN C C -11.846 -12.966 5.035 . . . 1.0 . . . . . . . . . . . . B . 69 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 2341 . 2 2 69 ASN CA C -11.911 -14.178 5.936 . . . 1.0 . . . . . . . . . . . . B . 69 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 2342 . 2 2 69 ASN CB C -12.676 -15.326 5.258 . . . 1.0 . . . . . . . . . . . . B . 69 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 2343 . 2 2 69 ASN CG C -14.141 -15.012 5.007 . . . 1.0 . . . . . . . . . . . . B . 69 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 2344 . 2 2 69 ASN H H -13.497 -13.781 7.274 . . . 1.0 . . . . . . . . . . . . B . 69 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 2345 . 2 2 69 ASN HA H -10.902 -14.506 6.141 . . . 1.0 . . . . . . . . . . . . B . 69 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 2346 . 2 2 69 ASN HB2 H -12.213 -15.544 4.309 . . . 1.0 . . . . . . . . . . . . B . 69 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2347 . 2 2 69 ASN HB3 H -12.619 -16.203 5.885 . . . 1.0 . . . . . . . . . . . . B . 69 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2348 . 2 2 69 ASN HD21 H -16.147 -13.115 3.715 . . . 1.0 . . . . . . . . . . . . B . 69 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 2349 . 2 2 69 ASN HD22 H -16.026 -14.690 4.419 . . . 1.0 . . . . . . . . . . . . B . 69 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 2350 . 2 2 69 ASN N N -12.521 -13.826 7.202 . . . 1.0 . . . . . . . . . . . . B . 69 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 2351 . 2 2 69 ASN ND2 N -16.005 -13.711 4.481 . . . 1.0 . . . . . . . . . . . . B . 69 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 2352 . 2 2 69 ASN O O -12.842 -12.287 4.773 . . . 1.0 . . . . . . . . . . . . B . 69 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 2353 . 2 2 69 ASN OD1 O -15.611 -13.838 6.680 . . . 1.0 . . . . . . . . . . . . B . 69 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2354 . 2 2 70 ASP C C -10.618 -11.801 2.315 . . . 1.0 . . . . . . . . . . . . B . 70 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 2355 . 2 2 70 ASP CA C -10.296 -11.560 3.787 . . . 1.0 . . . . . . . . . . . . B . 70 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 2356 . 2 2 70 ASP CB C -8.805 -11.268 3.964 . . . 1.0 . . . . . . . . . . . . B . 70 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 2357 . 2 2 70 ASP CG C -8.254 -11.790 5.277 . . . 1.0 . . . . . . . . . . . . B . 70 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 2358 . 2 2 70 ASP H H -9.894 -13.307 4.856 . . . 1.0 . . . . . . . . . . . . B . 70 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 2359 . 2 2 70 ASP HA H -10.863 -10.713 4.142 . . . 1.0 . . . . . . . . . . . . B . 70 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 2360 . 2 2 70 ASP HB2 H -8.256 -11.727 3.157 . . . 1.0 . . . . . . . . . . . . B . 70 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2361 . 2 2 70 ASP HB3 H -8.650 -10.202 3.938 . . . 1.0 . . . . . . . . . . . . B . 70 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2362 . 2 2 70 ASP N N -10.625 -12.699 4.606 . . . 1.0 . . . . . . . . . . . . B . 70 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 2363 . 2 2 70 ASP O O -11.655 -12.377 1.983 . . . 1.0 . . . . . . . . . . . . B . 70 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 2364 . 2 2 70 ASP OD1 O -8.304 -11.053 6.288 . . . 1.0 . . . . . . . . . . . . B . 70 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2365 . 2 2 70 ASP OD2 O -7.780 -12.954 5.298 . . . 1.0 . . . . . . . . . . . . B . 70 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 2366 . 2 2 71 CYS C C -10.373 -12.808 -0.469 . . . 1.0 . . . . . . . . . . . . B . 71 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 2367 . 2 2 71 CYS CA C -9.847 -11.452 0.001 . . . 1.0 . . . . . . . . . . . . B . 71 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 2368 . 2 2 71 CYS CB C -8.489 -11.232 -0.639 . . . 1.0 . . . . . . . . . . . . B . 71 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 2369 . 2 2 71 CYS H H -8.947 -10.841 1.801 . . . 1.0 . . . . . . . . . . . . B . 71 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 2370 . 2 2 71 CYS HA H -10.516 -10.682 -0.343 . . . 1.0 . . . . . . . . . . . . B . 71 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 2371 . 2 2 71 CYS HB2 H -7.727 -11.404 0.099 . . . 1.0 . . . . . . . . . . . . B . 71 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2372 . 2 2 71 CYS HB3 H -8.373 -11.945 -1.443 . . . 1.0 . . . . . . . . . . . . B . 71 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2373 . 2 2 71 CYS N N -9.724 -11.327 1.450 . . . 1.0 . . . . . . . . . . . . B . 71 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 2374 . 2 2 71 CYS O O -10.130 -13.852 0.140 . . . 1.0 . . . . . . . . . . . . B . 71 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 2375 . 2 2 71 CYS SG S -8.210 -9.568 -1.332 . . . 1.0 . . . . . . . . . . . . B . 71 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 2376 . 2 2 72 GLY C C -12.477 -13.505 -3.389 . . . 1.0 . . . . . . . . . . . . B . 72 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 2377 . 2 2 72 GLY CA C -11.631 -13.931 -2.218 . . . 1.0 . . . . . . . . . . . . B . 72 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 2378 . 2 2 72 GLY H H -11.184 -11.882 -2.027 . . . 1.0 . . . . . . . . . . . . B . 72 GLY H . . . . . . . . . rr_2fyl 1 . 1 . 2379 . 2 2 72 GLY HA2 H -10.840 -14.585 -2.557 . . . 1.0 . . . . . . . . . . . . B . 72 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 2380 . 2 2 72 GLY HA3 H -12.251 -14.449 -1.504 . . . 1.0 . . . . . . . . . . . . B . 72 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 2381 . 2 2 72 GLY N N -11.055 -12.757 -1.598 . . . 1.0 . . . . . . . . . . . . B . 72 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 2382 . 2 2 72 GLY O O -12.200 -13.843 -4.537 . . . 1.0 . . . . . . . . . . . . B . 72 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 2383 . 2 2 73 ASP C C -14.235 -10.658 -4.063 . . . 1.0 . . . . . . . . . . . . B . 73 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 2384 . 2 2 73 ASP CA C -14.407 -12.174 -4.065 . . . 1.0 . . . . . . . . . . . . B . 73 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 2385 . 2 2 73 ASP CB C -15.850 -12.582 -3.743 . . . 1.0 . . . . . . . . . . . . B . 73 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 2386 . 2 2 73 ASP CG C -16.892 -11.626 -4.293 . . . 1.0 . . . . . . . . . . . . B . 73 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 2387 . 2 2 73 ASP H H -13.649 -12.535 -2.127 . . . 1.0 . . . . . . . . . . . . B . 73 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 2388 . 2 2 73 ASP HA H -14.130 -12.562 -5.034 . . . 1.0 . . . . . . . . . . . . B . 73 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 2389 . 2 2 73 ASP HB2 H -16.031 -13.557 -4.167 . . . 1.0 . . . . . . . . . . . . B . 73 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2390 . 2 2 73 ASP HB3 H -15.967 -12.637 -2.672 . . . 1.0 . . . . . . . . . . . . B . 73 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2391 . 2 2 73 ASP N N -13.496 -12.732 -3.072 . . . 1.0 . . . . . . . . . . . . B . 73 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 2392 . 2 2 73 ASP O O -14.457 -9.970 -5.059 . . . 1.0 . . . . . . . . . . . . B . 73 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 2393 . 2 2 73 ASP OD1 O -17.271 -11.764 -5.477 . . . 1.0 . . . . . . . . . . . . B . 73 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2394 . 2 2 73 ASP OD2 O -17.346 -10.736 -3.540 . . . 1.0 . . . . . . . . . . . . B . 73 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 2395 . 2 2 74 ASN C C -12.158 -8.697 -2.021 . . . 1.0 . . . . . . . . . . . . B . 74 ASN C . . . . . . . . . rr_2fyl 1 . 1 . 2396 . 2 2 74 ASN CA C -13.524 -8.772 -2.697 . . . 1.0 . . . . . . . . . . . . B . 74 ASN CA . . . . . . . . . rr_2fyl 1 . 1 . 2397 . 2 2 74 ASN CB C -14.611 -8.139 -1.811 . . . 1.0 . . . . . . . . . . . . B . 74 ASN CB . . . . . . . . . rr_2fyl 1 . 1 . 2398 . 2 2 74 ASN CG C -14.851 -6.667 -2.113 . . . 1.0 . . . . . . . . . . . . B . 74 ASN CG . . . . . . . . . rr_2fyl 1 . 1 . 2399 . 2 2 74 ASN H H -13.633 -10.777 -2.186 . . . 1.0 . . . . . . . . . . . . B . 74 ASN H . . . . . . . . . rr_2fyl 1 . 1 . 2400 . 2 2 74 ASN HA H -13.486 -8.281 -3.651 . . . 1.0 . . . . . . . . . . . . B . 74 ASN HA . . . . . . . . . rr_2fyl 1 . 1 . 2401 . 2 2 74 ASN HB2 H -15.539 -8.670 -1.963 . . . 1.0 . . . . . . . . . . . . B . 74 ASN HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2402 . 2 2 74 ASN HB3 H -14.318 -8.230 -0.776 . . . 1.0 . . . . . . . . . . . . B . 74 ASN HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2403 . 2 2 74 ASN HD21 H -16.476 -7.112 -3.173 . . . 1.0 . . . . . . . . . . . . B . 74 ASN HD21 . . . . . . . . . rr_2fyl 1 . 1 . 2404 . 2 2 74 ASN HD22 H -16.088 -5.431 -3.062 . . . 1.0 . . . . . . . . . . . . B . 74 ASN HD22 . . . . . . . . . rr_2fyl 1 . 1 . 2405 . 2 2 74 ASN N N -13.796 -10.168 -2.916 . . . 1.0 . . . . . . . . . . . . B . 74 ASN N . . . . . . . . . rr_2fyl 1 . 1 . 2406 . 2 2 74 ASN ND2 N -15.909 -6.374 -2.860 . . . 1.0 . . . . . . . . . . . . B . 74 ASN ND2 . . . . . . . . . rr_2fyl 1 . 1 . 2407 . 2 2 74 ASN O O -11.506 -9.731 -1.857 . . . 1.0 . . . . . . . . . . . . B . 74 ASN O . . . . . . . . . rr_2fyl 1 . 1 . 2408 . 2 2 74 ASN OD1 O -14.105 -5.798 -1.662 . . . 1.0 . . . . . . . . . . . . B . 74 ASN OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2409 . 2 2 75 SER C C -10.480 -7.891 0.456 . . . 1.0 . . . . . . . . . . . . B . 75 SER C . . . . . . . . . rr_2fyl 1 . 1 . 2410 . 2 2 75 SER CA C -10.426 -7.365 -0.979 . . . 1.0 . . . . . . . . . . . . B . 75 SER CA . . . . . . . . . rr_2fyl 1 . 1 . 2411 . 2 2 75 SER CB C -10.013 -5.905 -0.984 . . . 1.0 . . . . . . . . . . . . B . 75 SER CB . . . . . . . . . rr_2fyl 1 . 1 . 2412 . 2 2 75 SER H H -12.253 -6.715 -1.810 . . . 1.0 . . . . . . . . . . . . B . 75 SER H . . . . . . . . . rr_2fyl 1 . 1 . 2413 . 2 2 75 SER HA H -9.700 -7.938 -1.536 . . . 1.0 . . . . . . . . . . . . B . 75 SER HA . . . . . . . . . rr_2fyl 1 . 1 . 2414 . 2 2 75 SER HB2 H -10.045 -5.526 0.027 . . . 1.0 . . . . . . . . . . . . B . 75 SER HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2415 . 2 2 75 SER HB3 H -9.010 -5.824 -1.370 . . . 1.0 . . . . . . . . . . . . B . 75 SER HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2416 . 2 2 75 SER HG H -10.434 -4.892 -2.614 . . . 1.0 . . . . . . . . . . . . B . 75 SER HG . . . . . . . . . rr_2fyl 1 . 1 . 2417 . 2 2 75 SER N N -11.714 -7.512 -1.639 . . . 1.0 . . . . . . . . . . . . B . 75 SER N . . . . . . . . . rr_2fyl 1 . 1 . 2418 . 2 2 75 SER O O -11.547 -8.260 0.944 . . . 1.0 . . . . . . . . . . . . B . 75 SER O . . . . . . . . . rr_2fyl 1 . 1 . 2419 . 2 2 75 SER OG O -10.887 -5.135 -1.797 . . . 1.0 . . . . . . . . . . . . B . 75 SER OG . . . . . . . . . rr_2fyl 1 . 1 . 2420 . 2 2 76 ASP C C -10.226 -7.682 3.405 . . . 1.0 . . . . . . . . . . . . B . 76 ASP C . . . . . . . . . rr_2fyl 1 . 1 . 2421 . 2 2 76 ASP CA C -9.244 -8.414 2.497 . . . 1.0 . . . . . . . . . . . . B . 76 ASP CA . . . . . . . . . rr_2fyl 1 . 1 . 2422 . 2 2 76 ASP CB C -7.808 -8.278 3.036 . . . 1.0 . . . . . . . . . . . . B . 76 ASP CB . . . . . . . . . rr_2fyl 1 . 1 . 2423 . 2 2 76 ASP CG C -7.760 -7.798 4.471 . . . 1.0 . . . . . . . . . . . . B . 76 ASP CG . . . . . . . . . rr_2fyl 1 . 1 . 2424 . 2 2 76 ASP H H -8.496 -7.681 0.662 . . . 1.0 . . . . . . . . . . . . B . 76 ASP H . . . . . . . . . rr_2fyl 1 . 1 . 2425 . 2 2 76 ASP HA H -9.512 -9.460 2.489 . . . 1.0 . . . . . . . . . . . . B . 76 ASP HA . . . . . . . . . rr_2fyl 1 . 1 . 2426 . 2 2 76 ASP HB2 H -7.320 -9.246 2.998 . . . 1.0 . . . . . . . . . . . . B . 76 ASP HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2427 . 2 2 76 ASP HB3 H -7.262 -7.579 2.425 . . . 1.0 . . . . . . . . . . . . B . 76 ASP HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2428 . 2 2 76 ASP N N -9.324 -7.939 1.119 . . . 1.0 . . . . . . . . . . . . B . 76 ASP N . . . . . . . . . rr_2fyl 1 . 1 . 2429 . 2 2 76 ASP O O -11.050 -8.311 4.068 . . . 1.0 . . . . . . . . . . . . B . 76 ASP O . . . . . . . . . rr_2fyl 1 . 1 . 2430 . 2 2 76 ASP OD1 O -8.018 -8.623 5.367 . . . 1.0 . . . . . . . . . . . . B . 76 ASP OD1 . . . . . . . . . rr_2fyl 1 . 1 . 2431 . 2 2 76 ASP OD2 O -7.471 -6.591 4.689 . . . 1.0 . . . . . . . . . . . . B . 76 ASP OD2 . . . . . . . . . rr_2fyl 1 . 1 . 2432 . 2 2 77 GLU C C -10.981 -4.115 3.868 . . . 1.0 . . . . . . . . . . . . B . 77 GLU C . . . . . . . . . rr_2fyl 1 . 1 . 2433 . 2 2 77 GLU CA C -11.027 -5.570 4.262 . . . 1.0 . . . . . . . . . . . . B . 77 GLU CA . . . . . . . . . rr_2fyl 1 . 1 . 2434 . 2 2 77 GLU CB C -10.595 -5.693 5.721 . . . 1.0 . . . . . . . . . . . . B . 77 GLU CB . . . . . . . . . rr_2fyl 1 . 1 . 2435 . 2 2 77 GLU CD C -11.180 -6.340 8.066 . . . 1.0 . . . . . . . . . . . . B . 77 GLU CD . . . . . . . . . rr_2fyl 1 . 1 . 2436 . 2 2 77 GLU CG C -11.648 -6.284 6.632 . . . 1.0 . . . . . . . . . . . . B . 77 GLU CG . . . . . . . . . rr_2fyl 1 . 1 . 2437 . 2 2 77 GLU H H -9.492 -5.911 2.857 . . . 1.0 . . . . . . . . . . . . B . 77 GLU H . . . . . . . . . rr_2fyl 1 . 1 . 2438 . 2 2 77 GLU HA H -12.026 -5.935 4.154 . . . 1.0 . . . . . . . . . . . . B . 77 GLU HA . . . . . . . . . rr_2fyl 1 . 1 . 2439 . 2 2 77 GLU HB2 H -9.716 -6.319 5.774 . . . 1.0 . . . . . . . . . . . . B . 77 GLU HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2440 . 2 2 77 GLU HB3 H -10.344 -4.710 6.090 . . . 1.0 . . . . . . . . . . . . B . 77 GLU HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2441 . 2 2 77 GLU HG2 H -12.540 -5.678 6.577 . . . 1.0 . . . . . . . . . . . . B . 77 GLU HG2 . . . . . . . . . rr_2fyl 1 . 1 . 2442 . 2 2 77 GLU HG3 H -11.869 -7.287 6.300 . . . 1.0 . . . . . . . . . . . . B . 77 GLU HG3 . . . . . . . . . rr_2fyl 1 . 1 . 2443 . 2 2 77 GLU N N -10.152 -6.361 3.419 . . . 1.0 . . . . . . . . . . . . B . 77 GLU N . . . . . . . . . rr_2fyl 1 . 1 . 2444 . 2 2 77 GLU O O -11.998 -3.523 3.505 . . . 1.0 . . . . . . . . . . . . B . 77 GLU O . . . . . . . . . rr_2fyl 1 . 1 . 2445 . 2 2 77 GLU OE1 O -11.385 -5.343 8.800 . . . 1.0 . . . . . . . . . . . . B . 77 GLU OE1 . . . . . . . . . rr_2fyl 1 . 1 . 2446 . 2 2 77 GLU OE2 O -10.601 -7.372 8.455 . . . 1.0 . . . . . . . . . . . . B . 77 GLU OE2 . . . . . . . . . rr_2fyl 1 . 1 . 2447 . 2 2 78 ALA C C -10.131 -1.282 4.743 . . . 1.0 . . . . . . . . . . . . B . 78 ALA C . . . . . . . . . rr_2fyl 1 . 1 . 2448 . 2 2 78 ALA CA C -9.517 -2.157 3.653 . . . 1.0 . . . . . . . . . . . . B . 78 ALA CA . . . . . . . . . rr_2fyl 1 . 1 . 2449 . 2 2 78 ALA CB C -10.035 -1.768 2.271 . . . 1.0 . . . . . . . . . . . . B . 78 ALA CB . . . . . . . . . rr_2fyl 1 . 1 . 2450 . 2 2 78 ALA H H -9.030 -4.138 4.222 . . . 1.0 . . . . . . . . . . . . B . 78 ALA H . . . . . . . . . rr_2fyl 1 . 1 . 2451 . 2 2 78 ALA HA H -8.446 -2.016 3.662 . . . 1.0 . . . . . . . . . . . . B . 78 ALA HA . . . . . . . . . rr_2fyl 1 . 1 . 2452 . 2 2 78 ALA HB1 H -11.099 -1.935 2.225 . . . 1.0 . . . . . . . . . . . . B . 78 ALA HB1 . . . . . . . . . rr_2fyl 1 . 1 . 2453 . 2 2 78 ALA HB2 H -9.542 -2.368 1.520 . . . 1.0 . . . . . . . . . . . . B . 78 ALA HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2454 . 2 2 78 ALA HB3 H -9.827 -0.723 2.091 . . . 1.0 . . . . . . . . . . . . B . 78 ALA HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2455 . 2 2 78 ALA N N -9.777 -3.565 3.948 . . . 1.0 . . . . . . . . . . . . B . 78 ALA N . . . . . . . . . rr_2fyl 1 . 1 . 2456 . 2 2 78 ALA O O -10.350 -0.089 4.555 . . . 1.0 . . . . . . . . . . . . B . 78 ALA O . . . . . . . . . rr_2fyl 1 . 1 . 2457 . 2 2 79 GLY C C -9.991 -1.025 8.152 . . . 1.0 . . . . . . . . . . . . B . 79 GLY C . . . . . . . . . rr_2fyl 1 . 1 . 2458 . 2 2 79 GLY CA C -10.977 -1.195 7.012 . . . 1.0 . . . . . . . . . . . . B . 79 GLY CA . . . . . . . . . rr_2fyl 1 . 1 . 2459 . 2 2 79 GLY H H -10.191 -2.853 5.973 . . . 1.0 . . . . . . . . . . . . B . 79 GLY H . . . . . . . . . rr_2fyl 1 . 1 . 2460 . 2 2 79 GLY HA2 H -11.303 -0.220 6.682 . . . 1.0 . . . . . . . . . . . . B . 79 GLY HA2 . . . . . . . . . rr_2fyl 1 . 1 . 2461 . 2 2 79 GLY HA3 H -11.831 -1.751 7.368 . . . 1.0 . . . . . . . . . . . . B . 79 GLY HA3 . . . . . . . . . rr_2fyl 1 . 1 . 2462 . 2 2 79 GLY N N -10.394 -1.901 5.891 . . . 1.0 . . . . . . . . . . . . B . 79 GLY N . . . . . . . . . rr_2fyl 1 . 1 . 2463 . 2 2 79 GLY O O -9.493 0.077 8.385 . . . 1.0 . . . . . . . . . . . . B . 79 GLY O . . . . . . . . . rr_2fyl 1 . 1 . 2464 . 2 2 80 CYS C C -7.312 -2.214 9.491 . . . 1.0 . . . . . . . . . . . . B . 80 CYS C . . . . . . . . . rr_2fyl 1 . 1 . 2465 . 2 2 80 CYS CA C -8.755 -2.057 9.975 . . . 1.0 . . . . . . . . . . . . B . 80 CYS CA . . . . . . . . . rr_2fyl 1 . 1 . 2466 . 2 2 80 CYS CB C -9.077 -3.146 11.006 . . . 1.0 . . . . . . . . . . . . B . 80 CYS CB . . . . . . . . . rr_2fyl 1 . 1 . 2467 . 2 2 80 CYS H H -10.120 -2.970 8.627 . . . 1.0 . . . . . . . . . . . . B . 80 CYS H . . . . . . . . . rr_2fyl 1 . 1 . 2468 . 2 2 80 CYS HA H -8.862 -1.089 10.443 . . . 1.0 . . . . . . . . . . . . B . 80 CYS HA . . . . . . . . . rr_2fyl 1 . 1 . 2469 . 2 2 80 CYS HB2 H -8.484 -2.981 11.894 . . . 1.0 . . . . . . . . . . . . B . 80 CYS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2470 . 2 2 80 CYS HB3 H -10.126 -3.090 11.264 . . . 1.0 . . . . . . . . . . . . B . 80 CYS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2471 . 2 2 80 CYS N N -9.691 -2.113 8.854 . . . 1.0 . . . . . . . . . . . . B . 80 CYS N . . . . . . . . . rr_2fyl 1 . 1 . 2472 . 2 2 80 CYS O O -6.368 -2.111 10.279 . . . 1.0 . . . . . . . . . . . . B . 80 CYS O . . . . . . . . . rr_2fyl 1 . 1 . 2473 . 2 2 80 CYS SG S -8.738 -4.839 10.417 . . . 1.0 . . . . . . . . . . . . B . 80 CYS SG . . . . . . . . . rr_2fyl 1 . 1 . 2474 . 2 2 81 SER C C -4.982 -1.364 7.733 . . . 1.0 . . . . . . . . . . . . B . 81 SER C . . . . . . . . . rr_2fyl 1 . 1 . 2475 . 2 2 81 SER CA C -5.828 -2.636 7.599 . . . 1.0 . . . . . . . . . . . . B . 81 SER CA . . . . . . . . . rr_2fyl 1 . 1 . 2476 . 2 2 81 SER CB C -5.977 -3.036 6.129 . . . 1.0 . . . . . . . . . . . . B . 81 SER CB . . . . . . . . . rr_2fyl 1 . 1 . 2477 . 2 2 81 SER H H -7.937 -2.535 7.621 . . . 1.0 . . . . . . . . . . . . B . 81 SER H . . . . . . . . . rr_2fyl 1 . 1 . 2478 . 2 2 81 SER HA H -5.335 -3.436 8.129 . . . 1.0 . . . . . . . . . . . . B . 81 SER HA . . . . . . . . . rr_2fyl 1 . 1 . 2479 . 2 2 81 SER HB2 H -5.944 -2.151 5.510 . . . 1.0 . . . . . . . . . . . . B . 81 SER HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2480 . 2 2 81 SER HB3 H -5.170 -3.699 5.855 . . . 1.0 . . . . . . . . . . . . B . 81 SER HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2481 . 2 2 81 SER HG H -7.045 -4.639 5.713 . . . 1.0 . . . . . . . . . . . . B . 81 SER HG . . . . . . . . . rr_2fyl 1 . 1 . 2482 . 2 2 81 SER N N -7.148 -2.459 8.193 . . . 1.0 . . . . . . . . . . . . B . 81 SER N . . . . . . . . . rr_2fyl 1 . 1 . 2483 . 2 2 81 SER O O -4.034 -1.321 8.518 . . . 1.0 . . . . . . . . . . . . B . 81 SER O . . . . . . . . . rr_2fyl 1 . 1 . 2484 . 2 2 81 SER OG O -7.213 -3.704 5.911 . . . 1.0 . . . . . . . . . . . . B . 81 SER OG . . . . . . . . . rr_2fyl 1 . 1 . 2485 . 2 2 82 HIS C C -5.458 2.050 6.408 . . . 1.0 . . . . . . . . . . . . B . 82 HIS C . . . . . . . . . rr_2fyl 1 . 1 . 2486 . 2 2 82 HIS CA C -4.609 0.944 7.023 . . . 1.0 . . . . . . . . . . . . B . 82 HIS CA . . . . . . . . . rr_2fyl 1 . 1 . 2487 . 2 2 82 HIS CB C -3.269 0.832 6.276 . . . 1.0 . . . . . . . . . . . . B . 82 HIS CB . . . . . . . . . rr_2fyl 1 . 1 . 2488 . 2 2 82 HIS CD2 C -1.973 2.687 7.567 . . . 1.0 . . . . . . . . . . . . B . 82 HIS CD2 . . . . . . . . . rr_2fyl 1 . 1 . 2489 . 2 2 82 HIS CE1 C -0.997 3.643 5.858 . . . 1.0 . . . . . . . . . . . . B . 82 HIS CE1 . . . . . . . . . rr_2fyl 1 . 1 . 2490 . 2 2 82 HIS CG C -2.363 2.020 6.451 . . . 1.0 . . . . . . . . . . . . B . 82 HIS CG . . . . . . . . . rr_2fyl 1 . 1 . 2491 . 2 2 82 HIS H H -6.109 -0.409 6.380 . . . 1.0 . . . . . . . . . . . . B . 82 HIS H . . . . . . . . . rr_2fyl 1 . 1 . 2492 . 2 2 82 HIS HA H -4.420 1.182 8.060 . . . 1.0 . . . . . . . . . . . . B . 82 HIS HA . . . . . . . . . rr_2fyl 1 . 1 . 2493 . 2 2 82 HIS HB2 H -2.738 -0.040 6.631 . . . 1.0 . . . . . . . . . . . . B . 82 HIS HB2 . . . . . . . . . rr_2fyl 1 . 1 . 2494 . 2 2 82 HIS HB3 H -3.465 0.718 5.220 . . . 1.0 . . . . . . . . . . . . B . 82 HIS HB3 . . . . . . . . . rr_2fyl 1 . 1 . 2495 . 2 2 82 HIS HD1 H -1.791 2.389 4.451 . . . 1.0 . . . . . . . . . . . . B . 82 HIS HD1 . . . . . . . . . rr_2fyl 1 . 1 . 2496 . 2 2 82 HIS HD2 H -2.270 2.467 8.583 . . . 1.0 . . . . . . . . . . . . B . 82 HIS HD2 . . . . . . . . . rr_2fyl 1 . 1 . 2497 . 2 2 82 HIS HE1 H -0.391 4.307 5.264 . . . 1.0 . . . . . . . . . . . . B . 82 HIS HE1 . . . . . . . . . rr_2fyl 1 . 1 . 2498 . 2 2 82 HIS HE2 H -0.571 4.250 7.775 . . . 1.0 . . . . . . . . . . . . B . 82 HIS HE2 . . . . . . . . . rr_2fyl 1 . 1 . 2499 . 2 2 82 HIS N N -5.335 -0.326 6.978 . . . 1.0 . . . . . . . . . . . . B . 82 HIS N . . . . . . . . . rr_2fyl 1 . 1 . 2500 . 2 2 82 HIS ND1 N -1.729 2.646 5.399 . . . 1.0 . . . . . . . . . . . . B . 82 HIS ND1 . . . . . . . . . rr_2fyl 1 . 1 . 2501 . 2 2 82 HIS NE2 N -1.127 3.688 7.168 . . . 1.0 . . . . . . . . . . . . B . 82 HIS NE2 . . . . . . . . . rr_2fyl 1 . 1 . 2502 . 2 2 82 HIS O O -6.098 1.836 5.380 . . . 1.0 . . . . . . . . . . . . B . 82 HIS O . . . . . . . . . rr_2fyl 1 . 1 . 2503 . 3 3 1 CA CA Ca 10.053 -3.221 -0.660 . . . 1.0 . . . . . . . . . . . . B . 83 CA CA . . . . . . . . . rr_2fyl 1 . 1 . 2504 . 4 3 1 CA CA Ca -8.915 -9.036 7.655 . . . 1.0 . . . . . . . . . . . . B . 84 CA CA . . . . . . . . . rr_2fyl 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_2fyl _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 2fyl.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_2fyl 1 1 2fyl.mr . . XPLOR/CNS 2 distance NOE ambi 20 rr_2fyl 1 1 2fyl.mr . . XPLOR/CNS 3 distance NOE simple 634 rr_2fyl 1 1 2fyl.mr . . XPLOR/CNS 4 distance 'general distance' simple 72 rr_2fyl 1 1 2fyl.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_2fyl 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_2fyl _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_2fyl 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 'HADDOCK AIR restraints for 1st molecule' 2 1 5 2 rr_2fyl 1 2 'HADDOCK AIR restraints for 2nd molecule HADDOCK AIR restraints for 3rd molecule HADDOCK AIR restraints for 4th molecule HADDOCK AIR restraints for 5th molecule HADDOCK AIR restraints for 6th molecule HADDOCK AIR restraints for 1st molecule HADDOCK AIR restraints for 2nd molecule' 1270 1 1291 2 rr_2fyl 1 3 'HADDOCK AIR restraints for 3rd molecule HADDOCK AIR restraints for 4th molecule HADDOCK AIR restraints for 5th molecule HADDOCK AIR restraints for 6th molecule HADDOCK AIR restraints for 1st molecule HADDOCK AIR restraints for 2nd molecule HADDOCK AIR restraints for 3rd molecule' 1696 1 1717 2 rr_2fyl 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 2 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 3 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 4 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 5 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 6 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 7 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 8 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 9 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 10 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 11 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 12 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 13 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 14 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 15 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 16 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 17 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 18 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 19 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 20 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 21 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 22 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 23 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 24 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 25 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 26 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 27 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 28 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 29 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 30 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 31 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 32 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 33 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 34 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 35 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 36 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 37 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 38 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 39 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 40 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 41 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 42 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 43 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 44 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 45 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 46 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 47 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 48 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 49 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 50 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 51 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 52 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 53 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 54 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 55 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 56 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 57 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 58 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 59 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 60 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 61 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 62 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 63 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 64 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 65 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 66 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 67 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 68 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 69 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 70 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 71 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 72 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 73 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 74 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 75 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 76 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 77 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 78 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 79 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 80 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 81 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 82 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 83 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 84 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 85 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 86 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 87 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 88 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 89 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 90 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 91 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 92 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 93 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 94 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 95 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 96 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 97 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 98 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 99 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 100 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 101 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 102 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 103 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 104 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 105 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 106 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 107 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 108 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 109 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 110 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 111 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 112 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 113 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 114 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 115 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 116 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 117 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 118 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 119 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 120 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 121 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 122 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 123 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 124 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 125 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 126 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 127 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 128 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 129 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 130 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 131 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 132 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 133 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 134 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 135 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 136 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 137 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 138 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 139 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 140 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 141 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 142 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 143 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 144 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 145 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 146 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 147 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 148 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 149 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 150 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 151 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 152 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 153 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 154 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 155 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 156 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 157 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 158 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 159 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 160 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 161 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 162 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 163 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 164 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 165 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 166 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 167 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 168 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 169 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 170 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 171 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 172 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 173 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 174 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 175 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 176 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 177 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 178 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 179 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 180 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 181 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 182 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 183 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 184 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 185 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 186 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 187 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 188 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 189 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 190 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 191 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 192 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 193 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 194 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 195 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 196 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 197 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 198 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 199 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 200 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 201 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 202 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 203 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 204 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 205 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 206 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 207 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 208 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 209 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 210 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 211 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 212 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 213 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 214 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 215 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 216 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 217 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 218 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 219 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 220 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 221 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 222 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 223 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 224 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 225 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 226 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 227 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 228 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 229 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 230 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 231 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 232 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 233 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 234 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 235 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 236 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 237 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 238 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 239 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 240 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 241 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 242 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 243 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 244 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 245 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 246 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 247 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 248 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 249 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 250 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 251 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 252 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 253 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 254 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 255 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 256 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 257 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 258 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 259 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 260 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 261 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 262 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 263 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 264 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 265 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 266 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 267 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 268 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 269 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 270 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 271 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 272 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 273 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 274 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 275 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 276 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 277 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 278 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 279 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 280 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 281 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 282 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 283 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 284 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 285 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 286 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 287 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 288 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 289 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 290 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 291 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 292 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 293 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 294 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 295 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 296 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 297 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 298 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 299 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 300 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 301 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 302 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 303 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 304 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 305 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 306 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 307 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 308 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 309 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 310 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 311 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 312 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 313 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 314 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 315 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 316 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 317 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 318 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 319 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 320 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 321 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 322 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 323 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 324 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 325 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 326 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 327 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 328 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 329 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 330 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 331 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 332 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 333 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 334 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 335 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 336 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 337 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 338 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 339 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 340 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 341 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 342 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 343 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 344 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 345 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 346 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 347 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 348 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 349 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 350 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 351 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 352 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 353 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 354 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 355 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 356 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 357 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 358 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 359 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 360 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 361 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 362 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 363 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 364 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 365 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 366 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 367 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 368 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 369 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 370 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 371 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 372 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 373 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 374 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 375 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 376 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 377 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 378 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 379 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 380 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 381 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 382 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 383 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 384 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 385 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 386 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 387 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 388 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 389 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 390 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 391 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 392 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 393 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 394 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 395 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 396 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 397 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 398 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 399 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 400 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 401 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 402 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 403 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 404 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 405 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 406 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 407 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 408 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 409 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 410 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 411 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 412 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 413 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 414 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 415 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 416 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 417 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 418 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 419 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 420 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 421 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 422 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 423 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 424 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 425 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 426 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 427 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 428 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 429 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 430 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 431 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 432 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 433 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 434 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 435 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 436 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 437 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 438 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 439 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 440 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 441 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 442 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 443 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 444 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 445 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 446 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 447 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 448 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 449 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 450 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 451 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 452 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 453 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 454 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 455 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 456 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 457 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 458 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 459 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 460 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 461 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 462 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 463 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 464 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 465 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 466 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 467 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 468 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 469 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 470 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 471 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 472 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 473 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 474 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 475 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 476 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 477 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 478 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 479 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 480 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 481 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 482 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 483 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 484 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 485 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 486 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 487 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 488 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 489 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 490 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 491 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 492 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 493 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 494 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 495 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 496 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 497 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 498 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 499 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 500 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 501 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 502 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 503 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 504 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 505 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 506 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 507 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 508 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 509 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 510 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 511 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 512 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 513 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 514 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 515 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 516 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 517 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 518 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 519 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 520 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 521 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 522 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 523 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 524 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 525 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 526 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 527 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 528 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 529 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 530 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 531 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 532 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 533 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 534 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 535 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 536 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 537 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 538 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 539 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 540 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 541 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 542 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 543 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 544 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 545 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 546 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 547 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 548 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 549 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 550 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 551 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 552 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 553 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 554 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 555 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 556 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 557 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 558 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 559 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 560 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 561 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 562 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 563 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 564 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 565 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 566 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 567 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 568 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 569 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 570 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 571 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 572 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 573 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 574 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 575 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 576 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 577 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 578 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 579 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 580 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 581 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 582 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 583 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 584 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 585 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 586 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 587 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 588 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 589 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 590 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 591 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 592 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 593 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 594 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 595 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 596 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 597 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 598 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 599 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 600 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 601 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 602 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 603 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 604 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 605 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 606 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 607 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 608 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 609 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 610 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 611 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 612 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 613 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 614 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 615 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 616 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 617 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.17.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 618 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.18.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 619 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.19.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 620 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.20.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 621 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 622 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.22.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 623 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.23.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 624 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 625 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.27.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 626 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.28.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 627 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.30.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 628 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.31.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 629 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 630 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.34.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 631 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 632 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 633 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.37.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 634 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.41.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 635 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.60.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 636 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.61.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 637 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.62.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 638 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 639 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 640 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 641 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.66.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 642 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.69.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 643 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.70.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 644 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.71.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 645 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 646 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.75.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 647 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.78.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 648 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.81.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 649 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.82.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 650 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.86.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 651 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.89.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 652 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 653 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 654 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.93.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 655 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.17.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 656 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.18.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 657 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.19.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 658 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.20.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 659 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 660 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.22.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 661 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.23.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 662 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 663 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.27.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 664 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.28.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 665 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.30.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 666 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.31.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 667 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 668 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.34.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 669 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 670 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 671 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.37.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 672 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.41.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 673 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.60.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 674 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.61.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 675 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.62.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 676 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 677 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 678 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 679 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.66.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 680 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.69.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 681 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.70.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 682 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.71.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 683 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 684 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.75.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 685 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.78.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 686 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.81.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 687 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.82.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 688 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.86.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 689 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.89.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 690 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 691 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 692 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.93.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 693 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.17.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 694 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.18.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 695 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.19.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 696 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.20.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 697 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 698 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.22.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 699 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.23.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 700 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 701 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.27.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 702 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.28.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 703 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.30.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 704 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.31.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 705 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 706 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.34.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 707 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 708 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 709 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.37.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 710 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.41.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 711 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.60.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 712 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.61.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 713 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.62.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 714 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 715 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 716 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 717 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.66.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 718 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.69.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 719 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.70.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 720 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.71.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 721 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 722 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.75.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 723 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.78.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 724 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.81.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 725 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.82.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 726 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.86.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 727 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.89.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 728 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 729 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 730 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.93.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 731 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.17.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 732 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.18.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 733 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.19.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 734 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.20.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 735 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 736 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.22.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 737 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.23.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 738 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 739 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.27.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 740 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.28.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 741 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.30.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 742 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.31.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 743 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 744 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.34.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 745 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 746 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 747 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.37.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 748 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.41.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 749 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.60.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 750 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.61.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 751 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.62.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 752 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 753 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 754 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 755 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.66.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 756 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.69.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 757 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.70.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 758 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.71.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 759 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 760 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.75.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 761 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.78.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 762 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.81.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 763 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.82.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 764 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.86.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 765 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.89.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 766 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 767 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 768 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.93.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 769 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.17.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 770 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.18.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 771 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.19.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 772 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.20.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 773 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 774 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.22.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 775 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.23.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 776 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 777 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.27.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 778 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.28.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 779 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.30.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 780 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.31.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 781 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 782 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.34.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 783 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 784 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 785 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.37.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 786 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.41.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 787 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.60.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 788 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.61.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 789 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.62.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 790 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 791 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 792 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 793 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.66.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 794 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.69.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 795 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.70.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 796 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.71.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 797 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 798 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.75.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 799 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.78.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 800 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.81.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 801 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.82.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 802 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.86.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 803 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.89.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 804 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 805 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 806 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.93.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 807 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.17.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 808 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.18.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 809 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.19.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 810 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.20.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 811 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 812 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.22.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 813 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.23.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 814 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 815 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.27.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 816 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.28.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 817 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.30.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 818 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.31.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 819 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 820 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.34.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 821 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 822 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 823 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.37.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 824 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.41.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 825 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.60.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 826 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.61.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 827 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.62.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 828 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 829 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 830 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 831 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.66.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 832 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.69.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 833 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.70.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 834 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.71.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 835 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 836 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.75.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 837 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.78.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 838 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.81.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 839 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.82.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 840 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.86.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 841 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.89.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 842 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 843 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 844 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.93.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 845 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.17.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 846 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.18.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 847 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.19.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 848 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.20.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 849 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 850 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.22.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 851 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.23.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 852 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 853 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.27.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 854 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.28.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 855 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.30.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 856 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.31.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 857 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 858 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.34.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 859 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 860 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 861 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.37.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 862 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.41.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 863 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.60.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 864 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.61.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 865 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.62.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 866 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 867 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 868 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 869 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.66.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 870 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.69.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 871 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.70.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 872 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.71.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 873 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 874 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.75.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 875 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.78.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 876 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.81.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 877 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.82.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 878 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.86.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 879 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.89.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 880 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 881 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 882 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.93.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 883 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.17.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 884 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.18.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 885 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.19.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 886 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.20.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 887 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 888 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.22.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 889 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.23.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 890 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 891 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.27.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 892 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.28.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 893 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.30.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 894 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.31.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 895 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 896 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.34.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 897 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 898 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 899 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.37.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 900 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.41.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 901 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.60.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 902 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.61.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 903 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.62.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 904 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 905 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 906 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 907 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.66.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 908 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.69.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 909 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.70.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 910 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.71.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 911 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 912 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.75.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 913 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.78.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 914 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.81.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 915 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.82.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 916 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.86.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 917 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.89.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 918 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 919 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 920 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'A.93.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 921 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.17.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 922 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.18.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 923 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.19.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 924 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.20.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 925 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.21.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 926 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.22.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 927 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.23.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 928 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.24.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 929 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.27.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 930 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.28.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 931 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.30.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 932 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.31.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 933 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.33.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 934 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.34.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 935 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.35.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 936 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.36.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 937 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.37.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 938 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.41.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 939 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.60.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 940 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.61.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 941 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.62.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 942 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.63.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 943 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.64.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 944 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.65.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 945 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.66.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 946 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.69.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 947 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.70.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 948 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.71.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 949 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.74.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 950 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.75.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 951 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.78.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 952 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.81.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 953 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.82.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 954 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.86.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 955 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.89.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 956 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.91.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 957 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.92.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 958 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.93.ALL_ATOMS' (nmrStar names) not linked" rr_2fyl 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_2fyl _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 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_2fyl 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 . . 2 2 41 41 ALA O O . . . 2 2 42 42 TYR N N . . . . . 2.25 2.2 2.3 . . . . . B . 41 ALA O . . B . 42 TYR N . B . 41 . O . . . B . 42 . N . . rr_2fyl 2 2 1 . . 2 2 42 42 TYR N N . . . 2 2 41 41 ALA C C . . . . . 1.35 1.3 1.4 . . . . . B . 42 TYR N . . B . 41 ALA C . B . 42 . N . . . B . 41 . C . . rr_2fyl 2 3 1 . . 2 2 41 41 ALA C C . . . 2 2 42 42 TYR CA C . . . . . 2.45 2.4 2.5 . . . . . B . 41 ALA C . . B . 42 TYR CA . B . 41 . C . . . B . 42 . CA . . rr_2fyl 2 4 1 . . 2 2 42 42 TYR N N . . . 2 2 41 41 ALA CA C . . . . . 2.45 2.4 2.5 . . . . . B . 42 TYR N . . B . 41 ALA CA . B . 42 . N . . . B . 41 . CA . . rr_2fyl 2 5 1 . . 2 2 2 2 ALA HA H . . . 2 2 3 3 ARG H H . . . . . 3.00 1.8 3.3 . . . . . B . 2 ALA HA . . B . 3 ARG H . B . 2 . HA . . . B . 3 . HN . . rr_2fyl 2 6 1 . . 2 2 2 2 ALA MB H . . . 2 2 3 3 ARG HA H . . . . . 4.00 1.8 5.5 . . . . . B . 2 ALA MB . . B . 3 ARG HA . B . 2 . HB# . . . B . 3 . HA . . rr_2fyl 2 7 1 OR . 2 2 3 3 ARG H H . . . 2 2 3 3 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 3 ARG H . . B . 3 ARG HG2 . B . 3 . HN . . . B . 3 . HG# . . rr_2fyl 2 7 2 OR . 2 2 3 3 ARG H H . . . 2 2 3 3 ARG HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 3 ARG H . . B . 3 ARG HG3 . B . 3 . HN . . . B . 3 . HG# . . rr_2fyl 2 8 1 OR . 2 2 3 3 ARG HA H . . . 2 2 3 3 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 3 ARG HA . . B . 3 ARG HD2 . B . 3 . HA . . . B . 3 . HD# . . rr_2fyl 2 8 2 OR . 2 2 3 3 ARG HA H . . . 2 2 3 3 ARG HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 3 ARG HA . . B . 3 ARG HD3 . B . 3 . HA . . . B . 3 . HD# . . rr_2fyl 2 9 1 OR . 2 2 4 4 THR H H . . . 2 2 3 3 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 4 THR H . . B . 3 ARG HG2 . B . 4 . HN . . . B . 3 . HG# . . rr_2fyl 2 9 2 OR . 2 2 3 3 ARG HG3 H . . . 2 2 4 4 THR H H . . . . . 4.00 1.8 5.0 . . . . . B . 3 ARG HG3 . . B . 4 THR H . B . 3 . HG# . . . B . 4 . HN . . rr_2fyl 2 10 1 OR . 2 2 3 3 ARG HG3 H . . . 2 2 14 14 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 3 ARG HG3 . . B . 14 SER HB2 . B . 3 . HG# . . . B . 14 . HB# . . rr_2fyl 2 10 2 OR . 2 2 3 3 ARG HG2 H . . . 2 2 14 14 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 3 ARG HG2 . . B . 14 SER HB2 . B . 3 . HG# . . . B . 14 . HB# . . rr_2fyl 2 10 3 OR . 2 2 14 14 SER HB3 H . . . 2 2 3 3 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 14 SER HB3 . . B . 3 ARG HG2 . B . 14 . HB# . . . B . 3 . HG# . . rr_2fyl 2 10 4 OR . 2 2 3 3 ARG HG3 H . . . 2 2 14 14 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 3 ARG HG3 . . B . 14 SER HB3 . B . 3 . HG# . . . B . 14 . HB# . . rr_2fyl 2 11 1 . . 2 2 4 4 THR HA H . . . 2 2 5 5 CYS H H . . . . . 3.00 1.8 3.3 . . . . . B . 4 THR HA . . B . 5 CYS H . B . 4 . HA . . . B . 5 . HN . . rr_2fyl 2 12 1 . . 2 2 5 5 CYS H H . . . 2 2 4 4 THR HB H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS H . . B . 4 THR HB . B . 5 . HN . . . B . 4 . HB . . rr_2fyl 2 13 1 . . 2 2 4 4 THR HB H . . . 2 2 11 11 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 4 THR HB . . B . 11 SER H . B . 4 . HB . . . B . 11 . HN . . rr_2fyl 2 14 1 . . 2 2 5 5 CYS H H . . . 2 2 4 4 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 5 CYS H . . B . 4 THR MG . B . 5 . HN . . . B . 4 . HG2# . . rr_2fyl 2 15 1 OR . 2 2 5 5 CYS H H . . . 2 2 11 11 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS H . . B . 11 SER HB2 . B . 5 . HN . . . B . 11 . HB# . . rr_2fyl 2 15 2 OR . 2 2 5 5 CYS H H . . . 2 2 11 11 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS H . . B . 11 SER HB3 . B . 5 . HN . . . B . 11 . HB# . . rr_2fyl 2 16 1 OR . 2 2 5 5 CYS HA H . . . 2 2 6 6 PRO HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HA . . B . 6 PRO HG2 . B . 5 . HA . . . B . 6 . HG# . . rr_2fyl 2 16 2 OR . 2 2 5 5 CYS HA H . . . 2 2 6 6 PRO HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HA . . B . 6 PRO HG3 . B . 5 . HA . . . B . 6 . HG# . . rr_2fyl 2 17 1 . . 2 2 5 5 CYS HA H . . . 2 2 17 17 CYS HA H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HA . . B . 17 CYS HA . B . 5 . HA . . . B . 17 . HA . . rr_2fyl 2 18 1 OR . 2 2 5 5 CYS HB2 H . . . 2 2 6 6 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB2 . . B . 6 PRO HD2 . B . 5 . HB# . . . B . 6 . HD# . . rr_2fyl 2 18 2 OR . 2 2 5 5 CYS HB3 H . . . 2 2 6 6 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 6 PRO HD2 . B . 5 . HB# . . . B . 6 . HD# . . rr_2fyl 2 18 3 OR . 2 2 6 6 PRO HD3 H . . . 2 2 5 5 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 5 CYS HB2 . B . 6 . HD# . . . B . 5 . HB# . . rr_2fyl 2 18 4 OR . 2 2 5 5 CYS HB3 H . . . 2 2 6 6 PRO HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 6 PRO HD3 . B . 5 . HB# . . . B . 6 . HD# . . rr_2fyl 2 19 1 OR . 2 2 5 5 CYS HB2 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB2 . . B . 9 GLN HB2 . B . 5 . HB# . . . B . 9 . HB# . . rr_2fyl 2 19 2 OR . 2 2 5 5 CYS HB3 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 9 GLN HB2 . B . 5 . HB# . . . B . 9 . HB# . . rr_2fyl 2 19 3 OR . 2 2 9 9 GLN HB3 H . . . 2 2 5 5 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 5 CYS HB2 . B . 9 . HB# . . . B . 5 . HB# . . rr_2fyl 2 19 4 OR . 2 2 5 5 CYS HB3 H . . . 2 2 9 9 GLN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 9 GLN HB3 . B . 5 . HB# . . . B . 9 . HB# . . rr_2fyl 2 20 1 OR . 2 2 5 5 CYS HB2 H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB2 . . B . 9 GLN HG2 . B . 5 . HB# . . . B . 9 . HG# . . rr_2fyl 2 20 2 OR . 2 2 5 5 CYS HB3 H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 9 GLN HG2 . B . 5 . HB# . . . B . 9 . HG# . . rr_2fyl 2 20 3 OR . 2 2 9 9 GLN HG3 H . . . 2 2 5 5 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 5 CYS HB2 . B . 9 . HG# . . . B . 5 . HB# . . rr_2fyl 2 20 4 OR . 2 2 5 5 CYS HB3 H . . . 2 2 9 9 GLN HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 9 GLN HG3 . B . 5 . HB# . . . B . 9 . HG# . . rr_2fyl 2 21 1 OR . 2 2 11 11 SER H H . . . 2 2 5 5 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 11 SER H . . B . 5 CYS HB2 . B . 11 . HN . . . B . 5 . HB# . . rr_2fyl 2 21 2 OR . 2 2 11 11 SER H H . . . 2 2 5 5 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 11 SER H . . B . 5 CYS HB3 . B . 11 . HN . . . B . 5 . HB# . . rr_2fyl 2 22 1 OR . 2 2 12 12 CYS H H . . . 2 2 5 5 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS H . . B . 5 CYS HB2 . B . 12 . HN . . . B . 5 . HB# . . rr_2fyl 2 22 2 OR . 2 2 5 5 CYS HB3 H . . . 2 2 12 12 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 12 CYS H . B . 5 . HB# . . . B . 12 . HN . . rr_2fyl 2 23 1 OR . 2 2 5 5 CYS HB2 H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB2 . . B . 17 CYS HB2 . B . 5 . HB# . . . B . 17 . HB# . . rr_2fyl 2 23 2 OR . 2 2 17 17 CYS HB3 H . . . 2 2 5 5 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HB3 . . B . 5 CYS HB2 . B . 17 . HB# . . . B . 5 . HB# . . rr_2fyl 2 23 3 OR . 2 2 5 5 CYS HB3 H . . . 2 2 17 17 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 17 CYS HB3 . B . 5 . HB# . . . B . 17 . HB# . . rr_2fyl 2 23 4 OR . 2 2 5 5 CYS HB3 H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 17 CYS HB2 . B . 5 . HB# . . . B . 17 . HB# . . rr_2fyl 2 24 1 OR . 2 2 18 18 ILE H H . . . 2 2 5 5 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE H . . B . 5 CYS HB2 . B . 18 . HN . . . B . 5 . HB# . . rr_2fyl 2 24 2 OR . 2 2 5 5 CYS HB3 H . . . 2 2 18 18 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 5 CYS HB3 . . B . 18 ILE H . B . 5 . HB# . . . B . 18 . HN . . rr_2fyl 2 25 1 OR . 2 2 6 6 PRO HB2 H . . . 2 2 7 7 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HB2 . . B . 7 PRO HB2 . B . 6 . HB# . . . B . 7 . HB# . . rr_2fyl 2 25 2 OR . 2 2 6 6 PRO HB3 H . . . 2 2 7 7 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HB3 . . B . 7 PRO HB2 . B . 6 . HB# . . . B . 7 . HB# . . rr_2fyl 2 25 3 OR . 2 2 7 7 PRO HB3 H . . . 2 2 6 6 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 7 PRO HB3 . . B . 6 PRO HB2 . B . 7 . HB# . . . B . 6 . HB# . . rr_2fyl 2 25 4 OR . 2 2 6 6 PRO HB3 H . . . 2 2 7 7 PRO HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HB3 . . B . 7 PRO HB3 . B . 6 . HB# . . . B . 7 . HB# . . rr_2fyl 2 26 1 OR . 2 2 6 6 PRO HB2 H . . . 2 2 7 7 PRO HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HB2 . . B . 7 PRO HG2 . B . 6 . HB# . . . B . 7 . HG# . . rr_2fyl 2 26 2 OR . 2 2 6 6 PRO HB3 H . . . 2 2 7 7 PRO HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HB3 . . B . 7 PRO HG2 . B . 6 . HB# . . . B . 7 . HG# . . rr_2fyl 2 26 3 OR . 2 2 7 7 PRO HG3 H . . . 2 2 6 6 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 7 PRO HG3 . . B . 6 PRO HB2 . B . 7 . HG# . . . B . 6 . HB# . . rr_2fyl 2 26 4 OR . 2 2 6 6 PRO HB3 H . . . 2 2 7 7 PRO HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HB3 . . B . 7 PRO HG3 . B . 6 . HB# . . . B . 7 . HG# . . rr_2fyl 2 27 1 OR . 2 2 9 9 GLN HE21 H . . . 2 2 6 6 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE21 . . B . 6 PRO HB2 . B . 9 . HE21 . . . B . 6 . HB# . . rr_2fyl 2 27 2 OR . 2 2 6 6 PRO HB3 H . . . 2 2 9 9 GLN HE21 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HB3 . . B . 9 GLN HE21 . B . 6 . HB# . . . B . 9 . HE21 . . rr_2fyl 2 28 1 OR . 2 2 9 9 GLN HE22 H . . . 2 2 6 6 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE22 . . B . 6 PRO HB2 . B . 9 . HE22 . . . B . 6 . HB# . . rr_2fyl 2 28 2 OR . 2 2 6 6 PRO HB3 H . . . 2 2 9 9 GLN HE22 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HB3 . . B . 9 GLN HE22 . B . 6 . HB# . . . B . 9 . HE22 . . rr_2fyl 2 29 1 OR . 2 2 6 6 PRO HG2 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HG2 . . B . 9 GLN HB2 . B . 6 . HG# . . . B . 9 . HB# . . rr_2fyl 2 29 2 OR . 2 2 6 6 PRO HG3 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HG3 . . B . 9 GLN HB2 . B . 6 . HG# . . . B . 9 . HB# . . rr_2fyl 2 29 3 OR . 2 2 9 9 GLN HB3 H . . . 2 2 6 6 PRO HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 6 PRO HG2 . B . 9 . HB# . . . B . 6 . HG# . . rr_2fyl 2 29 4 OR . 2 2 6 6 PRO HG3 H . . . 2 2 9 9 GLN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HG3 . . B . 9 GLN HB3 . B . 6 . HG# . . . B . 9 . HB# . . rr_2fyl 2 30 1 OR . 2 2 6 6 PRO HG2 H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HG2 . . B . 9 GLN HG2 . B . 6 . HG# . . . B . 9 . HG# . . rr_2fyl 2 30 2 OR . 2 2 6 6 PRO HG3 H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HG3 . . B . 9 GLN HG2 . B . 6 . HG# . . . B . 9 . HG# . . rr_2fyl 2 30 3 OR . 2 2 9 9 GLN HG3 H . . . 2 2 6 6 PRO HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 6 PRO HG2 . B . 9 . HG# . . . B . 6 . HG# . . rr_2fyl 2 30 4 OR . 2 2 6 6 PRO HG3 H . . . 2 2 9 9 GLN HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HG3 . . B . 9 GLN HG3 . B . 6 . HG# . . . B . 9 . HG# . . rr_2fyl 2 31 1 OR . 2 2 9 9 GLN HE21 H . . . 2 2 6 6 PRO HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE21 . . B . 6 PRO HG2 . B . 9 . HE21 . . . B . 6 . HG# . . rr_2fyl 2 31 2 OR . 2 2 6 6 PRO HG3 H . . . 2 2 9 9 GLN HE21 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HG3 . . B . 9 GLN HE21 . B . 6 . HG# . . . B . 9 . HE21 . . rr_2fyl 2 32 1 OR . 2 2 9 9 GLN HE22 H . . . 2 2 6 6 PRO HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE22 . . B . 6 PRO HG2 . B . 9 . HE22 . . . B . 6 . HG# . . rr_2fyl 2 32 2 OR . 2 2 6 6 PRO HG3 H . . . 2 2 9 9 GLN HE22 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HG3 . . B . 9 GLN HE22 . B . 6 . HG# . . . B . 9 . HE22 . . rr_2fyl 2 33 1 OR . 2 2 9 9 GLN H H . . . 2 2 6 6 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN H . . B . 6 PRO HD2 . B . 9 . HN . . . B . 6 . HD# . . rr_2fyl 2 33 2 OR . 2 2 6 6 PRO HD3 H . . . 2 2 9 9 GLN H H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 9 GLN H . B . 6 . HD# . . . B . 9 . HN . . rr_2fyl 2 34 1 OR . 2 2 6 6 PRO HD3 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 9 GLN HB2 . B . 6 . HD# . . . B . 9 . HB# . . rr_2fyl 2 34 2 OR . 2 2 6 6 PRO HD2 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD2 . . B . 9 GLN HB2 . B . 6 . HD# . . . B . 9 . HB# . . rr_2fyl 2 34 3 OR . 2 2 9 9 GLN HB3 H . . . 2 2 6 6 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 6 PRO HD2 . B . 9 . HB# . . . B . 6 . HD# . . rr_2fyl 2 34 4 OR . 2 2 6 6 PRO HD3 H . . . 2 2 9 9 GLN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 9 GLN HB3 . B . 6 . HD# . . . B . 9 . HB# . . rr_2fyl 2 35 1 OR . 2 2 6 6 PRO HD2 H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD2 . . B . 9 GLN HG2 . B . 6 . HD# . . . B . 9 . HG# . . rr_2fyl 2 35 2 OR . 2 2 6 6 PRO HD3 H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 9 GLN HG2 . B . 6 . HD# . . . B . 9 . HG# . . rr_2fyl 2 35 3 OR . 2 2 9 9 GLN HG3 H . . . 2 2 6 6 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 6 PRO HD2 . B . 9 . HG# . . . B . 6 . HD# . . rr_2fyl 2 35 4 OR . 2 2 6 6 PRO HD3 H . . . 2 2 9 9 GLN HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 9 GLN HG3 . B . 6 . HD# . . . B . 9 . HG# . . rr_2fyl 2 36 1 OR . 2 2 9 9 GLN HE21 H . . . 2 2 6 6 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE21 . . B . 6 PRO HD2 . B . 9 . HE21 . . . B . 6 . HD# . . rr_2fyl 2 36 2 OR . 2 2 6 6 PRO HD3 H . . . 2 2 9 9 GLN HE21 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 9 GLN HE21 . B . 6 . HD# . . . B . 9 . HE21 . . rr_2fyl 2 37 1 OR . 2 2 9 9 GLN HE22 H . . . 2 2 6 6 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE22 . . B . 6 PRO HD2 . B . 9 . HE22 . . . B . 6 . HD# . . rr_2fyl 2 37 2 OR . 2 2 6 6 PRO HD3 H . . . 2 2 9 9 GLN HE22 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 9 GLN HE22 . B . 6 . HD# . . . B . 9 . HE22 . . rr_2fyl 2 38 1 OR . 2 2 10 10 PHE H H . . . 2 2 6 6 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE H . . B . 6 PRO HD2 . B . 10 . HN . . . B . 6 . HD# . . rr_2fyl 2 38 2 OR . 2 2 6 6 PRO HD3 H . . . 2 2 10 10 PHE H H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 10 PHE H . B . 6 . HD# . . . B . 10 . HN . . rr_2fyl 2 39 1 OR . 2 2 6 6 PRO HD2 H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD2 . . B . 17 CYS HB2 . B . 6 . HD# . . . B . 17 . HB# . . rr_2fyl 2 39 2 OR . 2 2 6 6 PRO HD3 H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 17 CYS HB2 . B . 6 . HD# . . . B . 17 . HB# . . rr_2fyl 2 39 3 OR . 2 2 17 17 CYS HB3 H . . . 2 2 6 6 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HB3 . . B . 6 PRO HD2 . B . 17 . HB# . . . B . 6 . HD# . . rr_2fyl 2 39 4 OR . 2 2 6 6 PRO HD3 H . . . 2 2 17 17 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 6 PRO HD3 . . B . 17 CYS HB3 . B . 6 . HD# . . . B . 17 . HB# . . rr_2fyl 2 40 1 . . 2 2 8 8 ASN HA H . . . 2 2 8 8 ASN HD22 H . . . . . 4.00 1.8 5.0 . . . . . B . 8 ASN HA . . B . 8 ASN HD22 . B . 8 . HA . . . B . 8 . HD22 . . rr_2fyl 2 41 1 . . 2 2 9 9 GLN H H . . . 2 2 8 8 ASN HA H . . . . . 3.00 1.8 3.3 . . . . . B . 9 GLN H . . B . 8 ASN HA . B . 9 . HN . . . B . 8 . HA . . rr_2fyl 2 42 1 . . 2 2 9 9 GLN HE22 H . . . 2 2 8 8 ASN HA H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE22 . . B . 8 ASN HA . B . 9 . HE22 . . . B . 8 . HA . . rr_2fyl 2 43 1 . . 2 2 8 8 ASN HA H . . . 2 2 20 20 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 8 ASN HA . . B . 20 ILE H . B . 8 . HA . . . B . 20 . HN . . rr_2fyl 2 44 1 OR . 2 2 20 20 ILE H H . . . 2 2 8 8 ASN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE H . . B . 8 ASN HB2 . B . 20 . HN . . . B . 8 . HB# . . rr_2fyl 2 44 2 OR . 2 2 20 20 ILE H H . . . 2 2 8 8 ASN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE H . . B . 8 ASN HB3 . B . 20 . HN . . . B . 8 . HB# . . rr_2fyl 2 45 1 . . 2 2 8 8 ASN HD21 H . . . 2 2 19 19 PRO HA H . . . . . 4.00 1.8 5.0 . . . . . B . 8 ASN HD21 . . B . 19 PRO HA . B . 8 . HD21 . . . B . 19 . HA . . rr_2fyl 2 46 1 . . 2 2 9 9 GLN HE22 H . . . 2 2 8 8 ASN HD22 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE22 . . B . 8 ASN HD22 . B . 9 . HE22 . . . B . 8 . HD22 . . rr_2fyl 2 47 1 OR . 2 2 9 9 GLN H H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN H . . B . 9 GLN HG2 . B . 9 . HN . . . B . 9 . HG# . . rr_2fyl 2 47 2 OR . 2 2 9 9 GLN HG3 H . . . 2 2 9 9 GLN H H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 9 GLN H . B . 9 . HG# . . . B . 9 . HN . . rr_2fyl 2 48 1 . . 2 2 9 9 GLN HE22 H . . . 2 2 9 9 GLN H H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE22 . . B . 9 GLN H . B . 9 . HE22 . . . B . 9 . HN . . rr_2fyl 2 49 1 OR . 2 2 9 9 GLN H H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN H . . B . 10 PHE HB2 . B . 9 . HN . . . B . 10 . HB# . . rr_2fyl 2 49 2 OR . 2 2 9 9 GLN H H . . . 2 2 10 10 PHE HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN H . . B . 10 PHE HB3 . B . 9 . HN . . . B . 10 . HB# . . rr_2fyl 2 50 1 . . 2 2 9 9 GLN H H . . . 2 2 19 19 PRO HA H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN H . . B . 19 PRO HA . B . 9 . HN . . . B . 19 . HA . . rr_2fyl 2 51 1 . . 2 2 9 9 GLN H H . . . 2 2 20 20 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN H . . B . 20 ILE H . B . 9 . HN . . . B . 20 . HN . . rr_2fyl 2 52 1 . . 2 2 9 9 GLN H H . . . 2 2 20 20 ILE HB H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN H . . B . 20 ILE HB . B . 9 . HN . . . B . 20 . HB . . rr_2fyl 2 53 1 . . 2 2 9 9 GLN H H . . . 2 2 20 20 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 9 GLN H . . B . 20 ILE MG . B . 9 . HN . . . B . 20 . HG2# . . rr_2fyl 2 54 1 OR . 2 2 9 9 GLN H H . . . 2 2 20 20 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN H . . B . 20 ILE HG12 . B . 9 . HN . . . B . 20 . HG1# . . rr_2fyl 2 54 2 OR . 2 2 9 9 GLN H H . . . 2 2 20 20 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN H . . B . 20 ILE HG13 . B . 9 . HN . . . B . 20 . HG1# . . rr_2fyl 2 55 1 . . 2 2 9 9 GLN H H . . . 2 2 20 20 ILE MD H . . . . . 4.00 1.8 5.4 . . . . . B . 9 GLN H . . B . 20 ILE MD . B . 9 . HN . . . B . 20 . HD# . . rr_2fyl 2 56 1 . . 2 2 9 9 GLN HE22 H . . . 2 2 9 9 GLN HA H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE22 . . B . 9 GLN HA . B . 9 . HE22 . . . B . 9 . HA . . rr_2fyl 2 57 1 . . 2 2 10 10 PHE H H . . . 2 2 9 9 GLN HA H . . . . . 3.00 1.8 3.3 . . . . . B . 10 PHE H . . B . 9 GLN HA . B . 10 . HN . . . B . 9 . HA . . rr_2fyl 2 58 1 . . 2 2 20 20 ILE H H . . . 2 2 9 9 GLN HA H . . . . . 3.00 1.8 3.3 . . . . . B . 20 ILE H . . B . 9 GLN HA . B . 20 . HN . . . B . 9 . HA . . rr_2fyl 2 59 1 OR . 2 2 9 9 GLN HE21 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE21 . . B . 9 GLN HB2 . B . 9 . HE21 . . . B . 9 . HB# . . rr_2fyl 2 59 2 OR . 2 2 9 9 GLN HB3 H . . . 2 2 9 9 GLN HE21 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 9 GLN HE21 . B . 9 . HB# . . . B . 9 . HE21 . . rr_2fyl 2 60 1 OR . 2 2 9 9 GLN HE22 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE22 . . B . 9 GLN HB2 . B . 9 . HE22 . . . B . 9 . HB# . . rr_2fyl 2 60 2 OR . 2 2 9 9 GLN HB3 H . . . 2 2 9 9 GLN HE22 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 9 GLN HE22 . B . 9 . HB# . . . B . 9 . HE22 . . rr_2fyl 2 61 1 OR . 2 2 9 9 GLN HB2 H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB2 . . B . 10 PHE HB2 . B . 9 . HB# . . . B . 10 . HB# . . rr_2fyl 2 61 2 OR . 2 2 9 9 GLN HB3 H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 10 PHE HB2 . B . 9 . HB# . . . B . 10 . HB# . . rr_2fyl 2 61 3 OR . 2 2 10 10 PHE HB3 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HB3 . . B . 9 GLN HB2 . B . 10 . HB# . . . B . 9 . HB# . . rr_2fyl 2 61 4 OR . 2 2 9 9 GLN HB3 H . . . 2 2 10 10 PHE HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 10 PHE HB3 . B . 9 . HB# . . . B . 10 . HB# . . rr_2fyl 2 62 1 OR . 2 2 9 9 GLN HB3 H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 17 CYS HB2 . B . 9 . HB# . . . B . 17 . HB# . . rr_2fyl 2 62 2 OR . 2 2 9 9 GLN HB2 H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB2 . . B . 17 CYS HB2 . B . 9 . HB# . . . B . 17 . HB# . . rr_2fyl 2 62 3 OR . 2 2 17 17 CYS HB3 H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HB3 . . B . 9 GLN HB2 . B . 17 . HB# . . . B . 9 . HB# . . rr_2fyl 2 62 4 OR . 2 2 9 9 GLN HB3 H . . . 2 2 17 17 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 17 CYS HB3 . B . 9 . HB# . . . B . 17 . HB# . . rr_2fyl 2 63 1 OR . 2 2 18 18 ILE H H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE H . . B . 9 GLN HB2 . B . 18 . HN . . . B . 9 . HB# . . rr_2fyl 2 63 2 OR . 2 2 9 9 GLN HB3 H . . . 2 2 18 18 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 18 ILE H . B . 9 . HB# . . . B . 18 . HN . . rr_2fyl 2 64 1 OR . 2 2 19 19 PRO HA H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 19 PRO HA . . B . 9 GLN HB2 . B . 19 . HA . . . B . 9 . HB# . . rr_2fyl 2 64 2 OR . 2 2 9 9 GLN HB3 H . . . 2 2 19 19 PRO HA H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 19 PRO HA . B . 9 . HB# . . . B . 19 . HA . . rr_2fyl 2 65 1 OR . 2 2 20 20 ILE H H . . . 2 2 9 9 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE H . . B . 9 GLN HB2 . B . 20 . HN . . . B . 9 . HB# . . rr_2fyl 2 65 2 OR . 2 2 9 9 GLN HB3 H . . . 2 2 20 20 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HB3 . . B . 20 ILE H . B . 9 . HB# . . . B . 20 . HN . . rr_2fyl 2 66 1 OR . 2 2 10 10 PHE H H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE H . . B . 9 GLN HG2 . B . 10 . HN . . . B . 9 . HG# . . rr_2fyl 2 66 2 OR . 2 2 9 9 GLN HG3 H . . . 2 2 10 10 PHE H H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 10 PHE H . B . 9 . HG# . . . B . 10 . HN . . rr_2fyl 2 67 1 OR . 2 2 9 9 GLN HG2 H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG2 . . B . 10 PHE HB2 . B . 9 . HG# . . . B . 10 . HB# . . rr_2fyl 2 67 2 OR . 2 2 9 9 GLN HG3 H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 10 PHE HB2 . B . 9 . HG# . . . B . 10 . HB# . . rr_2fyl 2 67 3 OR . 2 2 10 10 PHE HB3 H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HB3 . . B . 9 GLN HG2 . B . 10 . HB# . . . B . 9 . HG# . . rr_2fyl 2 67 4 OR . 2 2 9 9 GLN HG3 H . . . 2 2 10 10 PHE HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 10 PHE HB3 . B . 9 . HG# . . . B . 10 . HB# . . rr_2fyl 2 68 1 OR . 2 2 11 11 SER H H . . . 2 2 9 9 GLN HG2 H . . . . . 4.50 1.8 6.0 . . . . . B . 11 SER H . . B . 9 GLN HG2 . B . 11 . HN . . . B . 9 . HG# . . rr_2fyl 2 68 2 OR . 2 2 11 11 SER H H . . . 2 2 9 9 GLN HG3 H . . . . . 4.50 1.8 6.0 . . . . . B . 11 SER H . . B . 9 GLN HG3 . B . 11 . HN . . . B . 9 . HG# . . rr_2fyl 2 69 1 OR . 2 2 9 9 GLN HG2 H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG2 . . B . 17 CYS HB2 . B . 9 . HG# . . . B . 17 . HB# . . rr_2fyl 2 69 2 OR . 2 2 9 9 GLN HG3 H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 17 CYS HB2 . B . 9 . HG# . . . B . 17 . HB# . . rr_2fyl 2 69 3 OR . 2 2 17 17 CYS HB3 H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HB3 . . B . 9 GLN HG2 . B . 17 . HB# . . . B . 9 . HG# . . rr_2fyl 2 69 4 OR . 2 2 9 9 GLN HG3 H . . . 2 2 17 17 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 17 CYS HB3 . B . 9 . HG# . . . B . 17 . HB# . . rr_2fyl 2 70 1 OR . 2 2 20 20 ILE H H . . . 2 2 9 9 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE H . . B . 9 GLN HG2 . B . 20 . HN . . . B . 9 . HG# . . rr_2fyl 2 70 2 OR . 2 2 9 9 GLN HG3 H . . . 2 2 20 20 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HG3 . . B . 20 ILE H . B . 9 . HG# . . . B . 20 . HN . . rr_2fyl 2 71 1 . . 2 2 9 9 GLN HE21 H . . . 2 2 19 19 PRO HA H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE21 . . B . 19 PRO HA . B . 9 . HE21 . . . B . 19 . HA . . rr_2fyl 2 72 1 OR . 2 2 9 9 GLN HE21 H . . . 2 2 19 19 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE21 . . B . 19 PRO HB2 . B . 9 . HE21 . . . B . 19 . HB# . . rr_2fyl 2 72 2 OR . 2 2 9 9 GLN HE21 H . . . 2 2 19 19 PRO HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE21 . . B . 19 PRO HB3 . B . 9 . HE21 . . . B . 19 . HB# . . rr_2fyl 2 73 1 . . 2 2 9 9 GLN HE22 H . . . 2 2 19 19 PRO HA H . . . . . 4.00 1.8 5.0 . . . . . B . 9 GLN HE22 . . B . 19 PRO HA . B . 9 . HE22 . . . B . 19 . HA . . rr_2fyl 2 74 1 . . 2 2 17 17 CYS HA H . . . 2 2 10 10 PHE H H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HA . . B . 10 PHE H . B . 17 . HA . . . B . 10 . HN . . rr_2fyl 2 75 1 . . 2 2 18 18 ILE H H . . . 2 2 10 10 PHE H H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE H . . B . 10 PHE H . B . 18 . HN . . . B . 10 . HN . . rr_2fyl 2 76 1 . . 2 2 10 10 PHE H H . . . 2 2 18 18 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 10 PHE H . . B . 18 ILE MG . B . 10 . HN . . . B . 18 . HG2# . . rr_2fyl 2 77 1 OR . 2 2 10 10 PHE H H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE H . . B . 18 ILE HG12 . B . 10 . HN . . . B . 18 . HG1# . . rr_2fyl 2 77 2 OR . 2 2 10 10 PHE H H . . . 2 2 18 18 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE H . . B . 18 ILE HG13 . B . 10 . HN . . . B . 18 . HG1# . . rr_2fyl 2 78 1 . . 2 2 10 10 PHE H H . . . 2 2 19 19 PRO HA H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE H . . B . 19 PRO HA . B . 10 . HN . . . B . 19 . HA . . rr_2fyl 2 79 1 . . 2 2 10 10 PHE H H . . . 2 2 20 20 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE H . . B . 20 ILE H . B . 10 . HN . . . B . 20 . HN . . rr_2fyl 2 80 1 . . 2 2 10 10 PHE H H . . . 2 2 20 20 ILE HA H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE H . . B . 20 ILE HA . B . 10 . HN . . . B . 20 . HA . . rr_2fyl 2 81 1 . . 2 2 11 11 SER H H . . . 2 2 10 10 PHE HA H . . . . . 3.00 1.8 3.3 . . . . . B . 11 SER H . . B . 10 PHE HA . B . 11 . HN . . . B . 10 . HA . . rr_2fyl 2 82 1 OR . 2 2 18 18 ILE MG H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 10 PHE HB2 . B . 18 . HG2# . . . B . 10 . HB# . . rr_2fyl 2 82 2 OR . 2 2 10 10 PHE HB3 H . . . 2 2 18 18 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 10 PHE HB3 . . B . 18 ILE MG . B . 10 . HB# . . . B . 18 . HG2# . . rr_2fyl 2 83 1 OR . 2 2 10 10 PHE HB2 H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HB2 . . B . 18 ILE HG12 . B . 10 . HB# . . . B . 18 . HG1# . . rr_2fyl 2 83 2 OR . 2 2 10 10 PHE HB3 H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HB3 . . B . 18 ILE HG12 . B . 10 . HB# . . . B . 18 . HG1# . . rr_2fyl 2 83 3 OR . 2 2 18 18 ILE HG13 H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE HG13 . . B . 10 PHE HB2 . B . 18 . HG1# . . . B . 10 . HB# . . rr_2fyl 2 83 4 OR . 2 2 10 10 PHE HB3 H . . . 2 2 18 18 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HB3 . . B . 18 ILE HG13 . B . 10 . HB# . . . B . 18 . HG1# . . rr_2fyl 2 84 1 OR . 2 2 18 18 ILE MD H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 10 PHE HB2 . B . 18 . HD# . . . B . 10 . HB# . . rr_2fyl 2 84 2 OR . 2 2 10 10 PHE HB3 H . . . 2 2 18 18 ILE MD H . . . . . 4.00 1.8 5.4 . . . . . B . 10 PHE HB3 . . B . 18 ILE MD . B . 10 . HB# . . . B . 18 . HD# . . rr_2fyl 2 85 1 OR . 2 2 20 20 ILE H H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE H . . B . 10 PHE HB2 . B . 20 . HN . . . B . 10 . HB# . . rr_2fyl 2 85 2 OR . 2 2 20 20 ILE H H . . . 2 2 10 10 PHE HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE H . . B . 10 PHE HB3 . B . 20 . HN . . . B . 10 . HB# . . rr_2fyl 2 86 1 OR . 2 2 20 20 ILE HA H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE HA . . B . 10 PHE HB2 . B . 20 . HA . . . B . 10 . HB# . . rr_2fyl 2 86 2 OR . 2 2 10 10 PHE HB3 H . . . 2 2 20 20 ILE HA H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HB3 . . B . 20 ILE HA . B . 10 . HB# . . . B . 20 . HA . . rr_2fyl 2 87 1 OR . 2 2 10 10 PHE HB2 H . . . 2 2 20 20 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HB2 . . B . 20 ILE HG12 . B . 10 . HB# . . . B . 20 . HG1# . . rr_2fyl 2 87 2 OR . 2 2 10 10 PHE HB3 H . . . 2 2 20 20 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HB3 . . B . 20 ILE HG12 . B . 10 . HB# . . . B . 20 . HG1# . . rr_2fyl 2 87 3 OR . 2 2 20 20 ILE HG13 H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE HG13 . . B . 10 PHE HB2 . B . 20 . HG1# . . . B . 10 . HB# . . rr_2fyl 2 87 4 OR . 2 2 10 10 PHE HB3 H . . . 2 2 20 20 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HB3 . . B . 20 ILE HG13 . B . 10 . HB# . . . B . 20 . HG1# . . rr_2fyl 2 88 1 OR . 2 2 23 23 THR MG H . . . 2 2 10 10 PHE HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 23 THR MG . . B . 10 PHE HB2 . B . 23 . HG2# . . . B . 10 . HB# . . rr_2fyl 2 88 2 OR . 2 2 10 10 PHE HB3 H . . . 2 2 23 23 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 10 PHE HB3 . . B . 23 THR MG . B . 10 . HB# . . . B . 23 . HG2# . . rr_2fyl 2 89 1 . . 2 2 11 11 SER H H . . . 2 2 10 10 PHE QD H . . . . . 4.00 1.8 5.0 . . . . . B . 11 SER H . . B . 10 PHE QD . B . 11 . HN . . . B . 10 . HD# . . rr_2fyl 2 90 1 . . 2 2 12 12 CYS H H . . . 2 2 10 10 PHE QD H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS H . . B . 10 PHE QD . B . 12 . HN . . . B . 10 . HD# . . rr_2fyl 2 91 1 . . 2 2 18 18 ILE H H . . . 2 2 10 10 PHE QD H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE H . . B . 10 PHE QD . B . 18 . HN . . . B . 10 . HD# . . rr_2fyl 2 92 1 . . 2 2 18 18 ILE MG H . . . 2 2 10 10 PHE QD H . . . . . 3.00 1.8 3.8 . . . . . B . 18 ILE MG . . B . 10 PHE QD . B . 18 . HG2# . . . B . 10 . HD# . . rr_2fyl 2 93 1 OR . 2 2 10 10 PHE QD H . . . 2 2 18 18 ILE HG12 H . . . . . 3.00 1.8 3.3 . . . . . B . 10 PHE QD . . B . 18 ILE HG12 . B . 10 . HD# . . . B . 18 . HG1# . . rr_2fyl 2 93 2 OR . 2 2 18 18 ILE HG13 H . . . 2 2 10 10 PHE QD H . . . . . 3.00 1.8 3.3 . . . . . B . 18 ILE HG13 . . B . 10 PHE QD . B . 18 . HG1# . . . B . 10 . HD# . . rr_2fyl 2 94 1 . . 2 2 18 18 ILE MD H . . . 2 2 10 10 PHE QD H . . . . . 3.00 1.8 3.7 . . . . . B . 18 ILE MD . . B . 10 PHE QD . B . 18 . HD# . . . B . 10 . HD# . . rr_2fyl 2 95 1 . . 2 2 20 20 ILE HA H . . . 2 2 10 10 PHE QD H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE HA . . B . 10 PHE QD . B . 20 . HA . . . B . 10 . HD# . . rr_2fyl 2 96 1 OR . 2 2 10 10 PHE QD H . . . 2 2 20 20 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE QD . . B . 20 ILE HG12 . B . 10 . HD# . . . B . 20 . HG1# . . rr_2fyl 2 96 2 OR . 2 2 20 20 ILE HG13 H . . . 2 2 10 10 PHE QD H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE HG13 . . B . 10 PHE QD . B . 20 . HG1# . . . B . 10 . HD# . . rr_2fyl 2 97 1 . . 2 2 20 20 ILE MD H . . . 2 2 10 10 PHE QD H . . . . . 3.00 1.8 3.7 . . . . . B . 20 ILE MD . . B . 10 PHE QD . B . 20 . HD# . . . B . 10 . HD# . . rr_2fyl 2 98 1 . . 2 2 10 10 PHE QD H . . . 2 2 23 23 THR H H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE QD . . B . 23 THR H . B . 10 . HD# . . . B . 23 . HN . . rr_2fyl 2 99 1 . . 2 2 23 23 THR MG H . . . 2 2 10 10 PHE QD H . . . . . 3.00 1.8 3.8 . . . . . B . 23 THR MG . . B . 10 PHE QD . B . 23 . HG2# . . . B . 10 . HD# . . rr_2fyl 2 100 1 OR . 2 2 10 10 PHE QD H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE QD . . B . 35 ASP HB2 . B . 10 . HD# . . . B . 35 . HB# . . rr_2fyl 2 100 2 OR . 2 2 10 10 PHE QD H . . . 2 2 35 35 ASP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE QD . . B . 35 ASP HB3 . B . 10 . HD# . . . B . 35 . HB# . . rr_2fyl 2 101 1 . . 2 2 10 10 PHE QE H . . . 2 2 13 13 ALA H H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE QE . . B . 13 ALA H . B . 10 . HE# . . . B . 13 . HN . . rr_2fyl 2 102 1 . . 2 2 18 18 ILE MG H . . . 2 2 10 10 PHE QE H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 10 PHE QE . B . 18 . HG2# . . . B . 10 . HE# . . rr_2fyl 2 103 1 OR . 2 2 10 10 PHE QE H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE QE . . B . 18 ILE HG12 . B . 10 . HE# . . . B . 18 . HG1# . . rr_2fyl 2 103 2 OR . 2 2 18 18 ILE HG13 H . . . 2 2 10 10 PHE QE H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE HG13 . . B . 10 PHE QE . B . 18 . HG1# . . . B . 10 . HE# . . rr_2fyl 2 104 1 . . 2 2 18 18 ILE MD H . . . 2 2 10 10 PHE QE H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 10 PHE QE . B . 18 . HD# . . . B . 10 . HE# . . rr_2fyl 2 105 1 . . 2 2 23 23 THR MG H . . . 2 2 10 10 PHE QE H . . . . . 4.00 1.8 5.5 . . . . . B . 23 THR MG . . B . 10 PHE QE . B . 23 . HG2# . . . B . 10 . HE# . . rr_2fyl 2 106 1 . . 2 2 10 10 PHE QE H . . . 2 2 35 35 ASP HA H . . . . . 4.50 1.8 6.0 . . . . . B . 10 PHE QE . . B . 35 ASP HA . B . 10 . HE# . . . B . 35 . HA . . rr_2fyl 2 107 1 OR . 2 2 10 10 PHE QE H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE QE . . B . 35 ASP HB2 . B . 10 . HE# . . . B . 35 . HB# . . rr_2fyl 2 107 2 OR . 2 2 35 35 ASP HB3 H . . . 2 2 10 10 PHE QE H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HB3 . . B . 10 PHE QE . B . 35 . HB# . . . B . 10 . HE# . . rr_2fyl 2 108 1 OR . 2 2 10 10 PHE QE H . . . 2 2 39 39 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE QE . . B . 39 SER HB2 . B . 10 . HE# . . . B . 39 . HB# . . rr_2fyl 2 108 2 OR . 2 2 10 10 PHE QE H . . . 2 2 39 39 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE QE . . B . 39 SER HB3 . B . 10 . HE# . . . B . 39 . HB# . . rr_2fyl 2 109 1 . . 2 2 13 13 ALA H H . . . 2 2 10 10 PHE HZ H . . . . . 4.00 1.8 5.0 . . . . . B . 13 ALA H . . B . 10 PHE HZ . B . 13 . HN . . . B . 10 . HZ . . rr_2fyl 2 110 1 . . 2 2 35 35 ASP HA H . . . 2 2 10 10 PHE HZ H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HA . . B . 10 PHE HZ . B . 35 . HA . . . B . 10 . HZ . . rr_2fyl 2 111 1 OR . 2 2 10 10 PHE HZ H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 10 PHE HZ . . B . 35 ASP HB2 . B . 10 . HZ . . . B . 35 . HB# . . rr_2fyl 2 111 2 OR . 2 2 35 35 ASP HB3 H . . . 2 2 10 10 PHE HZ H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HB3 . . B . 10 PHE HZ . B . 35 . HB# . . . B . 10 . HZ . . rr_2fyl 2 112 1 . . 2 2 11 11 SER H H . . . 2 2 11 11 SER HA H . . . . . 2.40 1.8 2.7 . . . . . B . 11 SER H . . B . 11 SER HA . B . 11 . HN . . . B . 11 . HA . . rr_2fyl 2 113 1 . . 2 2 11 11 SER H H . . . 2 2 17 17 CYS HA H . . . . . 4.00 1.8 5.0 . . . . . B . 11 SER H . . B . 17 CYS HA . B . 11 . HN . . . B . 17 . HA . . rr_2fyl 2 114 1 . . 2 2 11 11 SER H H . . . 2 2 18 18 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 11 SER H . . B . 18 ILE MG . B . 11 . HN . . . B . 18 . HG2# . . rr_2fyl 2 115 1 OR . 2 2 11 11 SER H H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 11 SER H . . B . 18 ILE HG12 . B . 11 . HN . . . B . 18 . HG1# . . rr_2fyl 2 115 2 OR . 2 2 11 11 SER H H . . . 2 2 18 18 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 11 SER H . . B . 18 ILE HG13 . B . 11 . HN . . . B . 18 . HG1# . . rr_2fyl 2 116 1 . . 2 2 12 12 CYS H H . . . 2 2 11 11 SER HA H . . . . . 3.00 1.8 3.3 . . . . . B . 12 CYS H . . B . 11 SER HA . B . 12 . HN . . . B . 11 . HA . . rr_2fyl 2 117 1 . . 2 2 11 11 SER HA H . . . 2 2 16 16 ARG H H . . . . . 4.00 1.8 5.0 . . . . . B . 11 SER HA . . B . 16 ARG H . B . 11 . HA . . . B . 16 . HN . . rr_2fyl 2 118 1 . . 2 2 11 11 SER HA H . . . 2 2 17 17 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 11 SER HA . . B . 17 CYS H . B . 11 . HA . . . B . 17 . HN . . rr_2fyl 2 119 1 OR . 2 2 18 18 ILE H H . . . 2 2 11 11 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE H . . B . 11 SER HB2 . B . 18 . HN . . . B . 11 . HB# . . rr_2fyl 2 119 2 OR . 2 2 11 11 SER HB3 H . . . 2 2 18 18 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 11 SER HB3 . . B . 18 ILE H . B . 11 . HB# . . . B . 18 . HN . . rr_2fyl 2 120 1 . . 2 2 12 12 CYS H H . . . 2 2 12 12 CYS HA H . . . . . 2.40 1.8 2.7 . . . . . B . 12 CYS H . . B . 12 CYS HA . B . 12 . HN . . . B . 12 . HA . . rr_2fyl 2 121 1 . . 2 2 12 12 CYS H H . . . 2 2 16 16 ARG H H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS H . . B . 16 ARG H . B . 12 . HN . . . B . 16 . HN . . rr_2fyl 2 122 1 . . 2 2 12 12 CYS H H . . . 2 2 16 16 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS H . . B . 16 ARG HA . B . 12 . HN . . . B . 16 . HA . . rr_2fyl 2 123 1 OR . 2 2 12 12 CYS H H . . . 2 2 16 16 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS H . . B . 16 ARG HB2 . B . 12 . HN . . . B . 16 . HB# . . rr_2fyl 2 123 2 OR . 2 2 12 12 CYS H H . . . 2 2 16 16 ARG HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS H . . B . 16 ARG HB3 . B . 12 . HN . . . B . 16 . HB# . . rr_2fyl 2 124 1 . . 2 2 17 17 CYS HA H . . . 2 2 12 12 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HA . . B . 12 CYS H . B . 17 . HA . . . B . 12 . HN . . rr_2fyl 2 125 1 OR . 2 2 12 12 CYS H H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS H . . B . 17 CYS HB2 . B . 12 . HN . . . B . 17 . HB# . . rr_2fyl 2 125 2 OR . 2 2 12 12 CYS H H . . . 2 2 17 17 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS H . . B . 17 CYS HB3 . B . 12 . HN . . . B . 17 . HB# . . rr_2fyl 2 126 1 . . 2 2 13 13 ALA H H . . . 2 2 12 12 CYS HA H . . . . . 3.00 1.8 3.3 . . . . . B . 13 ALA H . . B . 12 CYS HA . B . 13 . HN . . . B . 12 . HA . . rr_2fyl 2 127 1 OR . 2 2 13 13 ALA H H . . . 2 2 12 12 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 13 ALA H . . B . 12 CYS HB2 . B . 13 . HN . . . B . 12 . HB# . . rr_2fyl 2 127 2 OR . 2 2 13 13 ALA H H . . . 2 2 12 12 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 13 ALA H . . B . 12 CYS HB3 . B . 13 . HN . . . B . 12 . HB# . . rr_2fyl 2 128 1 OR . 2 2 14 14 SER H H . . . 2 2 12 12 CYS HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 14 SER H . . B . 12 CYS HB2 . B . 14 . HN . . . B . 12 . HB# . . rr_2fyl 2 128 2 OR . 2 2 12 12 CYS HB3 H . . . 2 2 14 14 SER H H . . . . . 4.50 1.8 6.0 . . . . . B . 12 CYS HB3 . . B . 14 SER H . B . 12 . HB# . . . B . 14 . HN . . rr_2fyl 2 129 1 OR . 2 2 15 15 GLY H H . . . 2 2 12 12 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 15 GLY H . . B . 12 CYS HB2 . B . 15 . HN . . . B . 12 . HB# . . rr_2fyl 2 129 2 OR . 2 2 12 12 CYS HB3 H . . . 2 2 15 15 GLY H H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS HB3 . . B . 15 GLY H . B . 12 . HB# . . . B . 15 . HN . . rr_2fyl 2 130 1 OR . 2 2 16 16 ARG H H . . . 2 2 12 12 CYS HB2 H . . . . . 3.00 1.8 3.3 . . . . . B . 16 ARG H . . B . 12 CYS HB2 . B . 16 . HN . . . B . 12 . HB# . . rr_2fyl 2 130 2 OR . 2 2 16 16 ARG H H . . . 2 2 12 12 CYS HB3 H . . . . . 3.00 1.8 3.3 . . . . . B . 16 ARG H . . B . 12 CYS HB3 . B . 16 . HN . . . B . 12 . HB# . . rr_2fyl 2 131 1 OR . 2 2 17 17 CYS H H . . . 2 2 12 12 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS H . . B . 12 CYS HB2 . B . 17 . HN . . . B . 12 . HB# . . rr_2fyl 2 131 2 OR . 2 2 17 17 CYS H H . . . 2 2 12 12 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS H . . B . 12 CYS HB3 . B . 17 . HN . . . B . 12 . HB# . . rr_2fyl 2 132 1 OR . 2 2 12 12 CYS HB2 H . . . 2 2 30 30 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS HB2 . . B . 30 CYS HB2 . B . 12 . HB# . . . B . 30 . HB# . . rr_2fyl 2 132 2 OR . 2 2 12 12 CYS HB3 H . . . 2 2 30 30 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS HB3 . . B . 30 CYS HB2 . B . 12 . HB# . . . B . 30 . HB# . . rr_2fyl 2 132 3 OR . 2 2 30 30 CYS HB3 H . . . 2 2 12 12 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 12 CYS HB2 . B . 30 . HB# . . . B . 12 . HB# . . rr_2fyl 2 132 4 OR . 2 2 12 12 CYS HB3 H . . . 2 2 30 30 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 12 CYS HB3 . . B . 30 CYS HB3 . B . 12 . HB# . . . B . 30 . HB# . . rr_2fyl 2 133 1 . . 2 2 13 13 ALA H H . . . 2 2 14 14 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 13 ALA H . . B . 14 SER H . B . 13 . HN . . . B . 14 . HN . . rr_2fyl 2 134 1 . . 2 2 14 14 SER H H . . . 2 2 13 13 ALA HA H . . . . . 3.00 1.8 3.3 . . . . . B . 14 SER H . . B . 13 ALA HA . B . 14 . HN . . . B . 13 . HA . . rr_2fyl 2 135 1 . . 2 2 13 13 ALA HA H . . . 2 2 14 14 SER HA H . . . . . 4.00 1.8 5.0 . . . . . B . 13 ALA HA . . B . 14 SER HA . B . 13 . HA . . . B . 14 . HA . . rr_2fyl 2 136 1 OR . 2 2 13 13 ALA HA H . . . 2 2 14 14 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 13 ALA HA . . B . 14 SER HB2 . B . 13 . HA . . . B . 14 . HB# . . rr_2fyl 2 136 2 OR . 2 2 14 14 SER HB3 H . . . 2 2 13 13 ALA HA H . . . . . 4.00 1.8 5.0 . . . . . B . 14 SER HB3 . . B . 13 ALA HA . B . 14 . HB# . . . B . 13 . HA . . rr_2fyl 2 137 1 . . 2 2 15 15 GLY H H . . . 2 2 13 13 ALA HA H . . . . . 4.00 1.8 5.0 . . . . . B . 15 GLY H . . B . 13 ALA HA . B . 15 . HN . . . B . 13 . HA . . rr_2fyl 2 138 1 . . 2 2 14 14 SER HA H . . . 2 2 13 13 ALA MB H . . . . . 4.00 1.8 5.5 . . . . . B . 14 SER HA . . B . 13 ALA MB . B . 14 . HA . . . B . 13 . HB# . . rr_2fyl 2 139 1 OR . 2 2 13 13 ALA MB H . . . 2 2 14 14 SER HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 13 ALA MB . . B . 14 SER HB2 . B . 13 . HB# . . . B . 14 . HB# . . rr_2fyl 2 139 2 OR . 2 2 14 14 SER HB3 H . . . 2 2 13 13 ALA MB H . . . . . 4.00 1.8 5.5 . . . . . B . 14 SER HB3 . . B . 13 ALA MB . B . 14 . HB# . . . B . 13 . HB# . . rr_2fyl 2 140 1 . . 2 2 15 15 GLY H H . . . 2 2 13 13 ALA MB H . . . . . 4.00 1.8 5.5 . . . . . B . 15 GLY H . . B . 13 ALA MB . B . 15 . HN . . . B . 13 . HB# . . rr_2fyl 2 141 1 OR . 2 2 13 13 ALA MB H . . . 2 2 15 15 GLY HA2 H . . . . . 4.00 1.8 5.5 . . . . . B . 13 ALA MB . . B . 15 GLY HA2 . B . 13 . HB# . . . B . 15 . HA# . . rr_2fyl 2 141 2 OR . 2 2 13 13 ALA MB H . . . 2 2 15 15 GLY HA3 H . . . . . 4.00 1.8 5.5 . . . . . B . 13 ALA MB . . B . 15 GLY HA3 . B . 13 . HB# . . . B . 15 . HA# . . rr_2fyl 2 142 1 . . 2 2 16 16 ARG H H . . . 2 2 13 13 ALA MB H . . . . . 4.00 1.8 5.5 . . . . . B . 16 ARG H . . B . 13 ALA MB . B . 16 . HN . . . B . 13 . HB# . . rr_2fyl 2 143 1 OR . 2 2 13 13 ALA MB H . . . 2 2 16 16 ARG HD2 H . . . . . 3.00 1.8 3.8 . . . . . B . 13 ALA MB . . B . 16 ARG HD2 . B . 13 . HB# . . . B . 16 . HD# . . rr_2fyl 2 143 2 OR . 2 2 13 13 ALA MB H . . . 2 2 16 16 ARG HD3 H . . . . . 3.00 1.8 3.8 . . . . . B . 13 ALA MB . . B . 16 ARG HD3 . B . 13 . HB# . . . B . 16 . HD# . . rr_2fyl 2 144 1 . . 2 2 14 14 SER H H . . . 2 2 15 15 GLY H H . . . . . 4.00 1.8 5.0 . . . . . B . 14 SER H . . B . 15 GLY H . B . 14 . HN . . . B . 15 . HN . . rr_2fyl 2 145 1 OR . 2 2 14 14 SER H H . . . 2 2 15 15 GLY HA2 H . . . . . 4.00 1.8 5.0 . . . . . B . 14 SER H . . B . 15 GLY HA2 . B . 14 . HN . . . B . 15 . HA# . . rr_2fyl 2 145 2 OR . 2 2 14 14 SER H H . . . 2 2 15 15 GLY HA3 H . . . . . 4.00 1.8 5.0 . . . . . B . 14 SER H . . B . 15 GLY HA3 . B . 14 . HN . . . B . 15 . HA# . . rr_2fyl 2 146 1 . . 2 2 16 16 ARG H H . . . 2 2 14 14 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 16 ARG H . . B . 14 SER H . B . 16 . HN . . . B . 14 . HN . . rr_2fyl 2 147 1 . . 2 2 16 16 ARG H H . . . 2 2 15 15 GLY H H . . . . . 3.00 1.8 3.3 . . . . . B . 16 ARG H . . B . 15 GLY H . B . 16 . HN . . . B . 15 . HN . . rr_2fyl 2 148 1 OR . 2 2 16 16 ARG H H . . . 2 2 16 16 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 16 ARG H . . B . 16 ARG HG2 . B . 16 . HN . . . B . 16 . HG# . . rr_2fyl 2 148 2 OR . 2 2 16 16 ARG H H . . . 2 2 16 16 ARG HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 16 ARG H . . B . 16 ARG HG3 . B . 16 . HN . . . B . 16 . HG# . . rr_2fyl 2 149 1 OR . 2 2 16 16 ARG H H . . . 2 2 16 16 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 16 ARG H . . B . 16 ARG HD2 . B . 16 . HN . . . B . 16 . HD# . . rr_2fyl 2 149 2 OR . 2 2 16 16 ARG H H . . . 2 2 16 16 ARG HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 16 ARG H . . B . 16 ARG HD3 . B . 16 . HN . . . B . 16 . HD# . . rr_2fyl 2 150 1 . . 2 2 16 16 ARG H H . . . 2 2 17 17 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 16 ARG H . . B . 17 CYS H . B . 16 . HN . . . B . 17 . HN . . rr_2fyl 2 151 1 . . 2 2 18 18 ILE MG H . . . 2 2 16 16 ARG H H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 16 ARG H . B . 18 . HG2# . . . B . 16 . HN . . rr_2fyl 2 152 1 OR . 2 2 16 16 ARG HA H . . . 2 2 16 16 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 16 ARG HA . . B . 16 ARG HD2 . B . 16 . HA . . . B . 16 . HD# . . rr_2fyl 2 152 2 OR . 2 2 16 16 ARG HA H . . . 2 2 16 16 ARG HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 16 ARG HA . . B . 16 ARG HD3 . B . 16 . HA . . . B . 16 . HD# . . rr_2fyl 2 153 1 . . 2 2 17 17 CYS H H . . . 2 2 16 16 ARG HA H . . . . . 2.40 1.8 2.7 . . . . . B . 17 CYS H . . B . 16 ARG HA . B . 17 . HN . . . B . 16 . HA . . rr_2fyl 2 154 1 OR . 2 2 16 16 ARG HA H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 16 ARG HA . . B . 17 CYS HB2 . B . 16 . HA . . . B . 17 . HB# . . rr_2fyl 2 154 2 OR . 2 2 17 17 CYS HB3 H . . . 2 2 16 16 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HB3 . . B . 16 ARG HA . B . 17 . HB# . . . B . 16 . HA . . rr_2fyl 2 155 1 OR . 2 2 17 17 CYS H H . . . 2 2 16 16 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS H . . B . 16 ARG HG2 . B . 17 . HN . . . B . 16 . HG# . . rr_2fyl 2 155 2 OR . 2 2 17 17 CYS H H . . . 2 2 16 16 ARG HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS H . . B . 16 ARG HG3 . B . 17 . HN . . . B . 16 . HG# . . rr_2fyl 2 156 1 OR . 2 2 18 18 ILE MG H . . . 2 2 16 16 ARG HG2 H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 16 ARG HG2 . B . 18 . HG2# . . . B . 16 . HG# . . rr_2fyl 2 156 2 OR . 2 2 18 18 ILE MG H . . . 2 2 16 16 ARG HG3 H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 16 ARG HG3 . B . 18 . HG2# . . . B . 16 . HG# . . rr_2fyl 2 157 1 OR . 2 2 17 17 CYS H H . . . 2 2 16 16 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS H . . B . 16 ARG HD2 . B . 17 . HN . . . B . 16 . HD# . . rr_2fyl 2 157 2 OR . 2 2 17 17 CYS H H . . . 2 2 16 16 ARG HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS H . . B . 16 ARG HD3 . B . 17 . HN . . . B . 16 . HD# . . rr_2fyl 2 158 1 OR . 2 2 18 18 ILE MG H . . . 2 2 16 16 ARG HD2 H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 16 ARG HD2 . B . 18 . HG2# . . . B . 16 . HD# . . rr_2fyl 2 158 2 OR . 2 2 18 18 ILE MG H . . . 2 2 16 16 ARG HD3 H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 16 ARG HD3 . B . 18 . HG2# . . . B . 16 . HD# . . rr_2fyl 2 159 1 . . 2 2 18 18 ILE H H . . . 2 2 17 17 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE H . . B . 17 CYS H . B . 18 . HN . . . B . 17 . HN . . rr_2fyl 2 160 1 . . 2 2 18 18 ILE MG H . . . 2 2 17 17 CYS H H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 17 CYS H . B . 18 . HG2# . . . B . 17 . HN . . rr_2fyl 2 161 1 OR . 2 2 17 17 CYS H H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS H . . B . 18 ILE HG12 . B . 17 . HN . . . B . 18 . HG1# . . rr_2fyl 2 161 2 OR . 2 2 18 18 ILE HG13 H . . . 2 2 17 17 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE HG13 . . B . 17 CYS H . B . 18 . HG1# . . . B . 17 . HN . . rr_2fyl 2 162 1 . . 2 2 17 17 CYS HA H . . . 2 2 18 18 ILE H H . . . . . 3.00 1.8 3.3 . . . . . B . 17 CYS HA . . B . 18 ILE H . B . 17 . HA . . . B . 18 . HN . . rr_2fyl 2 163 1 . . 2 2 17 17 CYS HA H . . . 2 2 18 18 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 17 CYS HA . . B . 18 ILE MG . B . 17 . HA . . . B . 18 . HG2# . . rr_2fyl 2 164 1 OR . 2 2 17 17 CYS HA H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HA . . B . 18 ILE HG12 . B . 17 . HA . . . B . 18 . HG1# . . rr_2fyl 2 164 2 OR . 2 2 17 17 CYS HA H . . . 2 2 18 18 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HA . . B . 18 ILE HG13 . B . 17 . HA . . . B . 18 . HG1# . . rr_2fyl 2 165 1 OR . 2 2 18 18 ILE H H . . . 2 2 17 17 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE H . . B . 17 CYS HB2 . B . 18 . HN . . . B . 17 . HB# . . rr_2fyl 2 165 2 OR . 2 2 17 17 CYS HB3 H . . . 2 2 18 18 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 17 CYS HB3 . . B . 18 ILE H . B . 17 . HB# . . . B . 18 . HN . . rr_2fyl 2 166 1 OR . 2 2 18 18 ILE H H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE H . . B . 18 ILE HG12 . B . 18 . HN . . . B . 18 . HG1# . . rr_2fyl 2 166 2 OR . 2 2 18 18 ILE H H . . . 2 2 18 18 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE H . . B . 18 ILE HG13 . B . 18 . HN . . . B . 18 . HG1# . . rr_2fyl 2 167 1 . . 2 2 18 18 ILE H H . . . 2 2 18 18 ILE MD H . . . . . 3.00 1.8 3.7 . . . . . B . 18 ILE H . . B . 18 ILE MD . B . 18 . HN . . . B . 18 . HD# . . rr_2fyl 2 168 1 OR . 2 2 18 18 ILE HB H . . . 2 2 29 29 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE HB . . B . 29 ASP HB2 . B . 18 . HB . . . B . 29 . HB# . . rr_2fyl 2 168 2 OR . 2 2 18 18 ILE HB H . . . 2 2 29 29 ASP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE HB . . B . 29 ASP HB3 . B . 18 . HB . . . B . 29 . HB# . . rr_2fyl 2 169 1 . . 2 2 18 18 ILE MG H . . . 2 2 22 22 TRP HE3 H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 22 TRP HE3 . B . 18 . HG2# . . . B . 22 . HE3 . . rr_2fyl 2 170 1 . . 2 2 18 18 ILE MG H . . . 2 2 23 23 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 23 THR MG . B . 18 . HG2# . . . B . 23 . HG2# . . rr_2fyl 2 171 1 OR . 2 2 18 18 ILE MG H . . . 2 2 29 29 ASP HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 29 ASP HB2 . B . 18 . HG2# . . . B . 29 . HB# . . rr_2fyl 2 171 2 OR . 2 2 18 18 ILE MG H . . . 2 2 29 29 ASP HB3 H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE MG . . B . 29 ASP HB3 . B . 18 . HG2# . . . B . 29 . HB# . . rr_2fyl 2 172 1 OR . 2 2 22 22 TRP HE3 H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HE3 . . B . 18 ILE HG12 . B . 22 . HE3 . . . B . 18 . HG1# . . rr_2fyl 2 172 2 OR . 2 2 18 18 ILE HG13 H . . . 2 2 22 22 TRP HE3 H . . . . . 4.00 1.8 5.0 . . . . . B . 18 ILE HG13 . . B . 22 TRP HE3 . B . 18 . HG1# . . . B . 22 . HE3 . . rr_2fyl 2 173 1 OR . 2 2 23 23 THR MG H . . . 2 2 18 18 ILE HG12 H . . . . . 4.00 1.8 5.5 . . . . . B . 23 THR MG . . B . 18 ILE HG12 . B . 23 . HG2# . . . B . 18 . HG1# . . rr_2fyl 2 173 2 OR . 2 2 18 18 ILE HG13 H . . . 2 2 23 23 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 18 ILE HG13 . . B . 23 THR MG . B . 18 . HG1# . . . B . 23 . HG2# . . rr_2fyl 2 174 1 . . 2 2 18 18 ILE MD H . . . 2 2 22 22 TRP H H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 22 TRP H . B . 18 . HD# . . . B . 22 . HN . . rr_2fyl 2 175 1 OR . 2 2 18 18 ILE MD H . . . 2 2 22 22 TRP HB2 H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 22 TRP HB2 . B . 18 . HD# . . . B . 22 . HB# . . rr_2fyl 2 175 2 OR . 2 2 18 18 ILE MD H . . . 2 2 22 22 TRP HB3 H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 22 TRP HB3 . B . 18 . HD# . . . B . 22 . HB# . . rr_2fyl 2 176 1 . . 2 2 18 18 ILE MD H . . . 2 2 22 22 TRP HE3 H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 22 TRP HE3 . B . 18 . HD# . . . B . 22 . HE3 . . rr_2fyl 2 177 1 . . 2 2 18 18 ILE MD H . . . 2 2 22 22 TRP HE1 H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 22 TRP HE1 . B . 18 . HD# . . . B . 22 . HE1 . . rr_2fyl 2 178 1 . . 2 2 18 18 ILE MD H . . . 2 2 23 23 THR MG H . . . . . 3.00 1.8 3.7 . . . . . B . 18 ILE MD . . B . 23 THR MG . B . 18 . HD# . . . B . 23 . HG2# . . rr_2fyl 2 179 1 . . 2 2 18 18 ILE MD H . . . 2 2 29 29 ASP H H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 29 ASP H . B . 18 . HD# . . . B . 29 . HN . . rr_2fyl 2 180 1 OR . 2 2 18 18 ILE MD H . . . 2 2 29 29 ASP HB2 H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 29 ASP HB2 . B . 18 . HD# . . . B . 29 . HB# . . rr_2fyl 2 180 2 OR . 2 2 18 18 ILE MD H . . . 2 2 29 29 ASP HB3 H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 29 ASP HB3 . B . 18 . HD# . . . B . 29 . HB# . . rr_2fyl 2 181 1 . . 2 2 18 18 ILE MD H . . . 2 2 30 30 CYS H H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 30 CYS H . B . 18 . HD# . . . B . 30 . HN . . rr_2fyl 2 182 1 OR . 2 2 18 18 ILE MD H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 35 ASP HB2 . B . 18 . HD# . . . B . 35 . HB# . . rr_2fyl 2 182 2 OR . 2 2 18 18 ILE MD H . . . 2 2 35 35 ASP HB3 H . . . . . 4.00 1.8 5.4 . . . . . B . 18 ILE MD . . B . 35 ASP HB3 . B . 18 . HD# . . . B . 35 . HB# . . rr_2fyl 2 183 1 . . 2 2 20 20 ILE H H . . . 2 2 19 19 PRO HA H . . . . . 2.40 1.8 2.7 . . . . . B . 20 ILE H . . B . 19 PRO HA . B . 20 . HN . . . B . 19 . HA . . rr_2fyl 2 184 1 . . 2 2 19 19 PRO HA H . . . 2 2 20 20 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 19 PRO HA . . B . 20 ILE MG . B . 19 . HA . . . B . 20 . HG2# . . rr_2fyl 2 185 1 OR . 2 2 20 20 ILE MG H . . . 2 2 19 19 PRO HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 20 ILE MG . . B . 19 PRO HB2 . B . 20 . HG2# . . . B . 19 . HB# . . rr_2fyl 2 185 2 OR . 2 2 20 20 ILE MG H . . . 2 2 19 19 PRO HB3 H . . . . . 4.00 1.8 5.5 . . . . . B . 20 ILE MG . . B . 19 PRO HB3 . B . 20 . HG2# . . . B . 19 . HB# . . rr_2fyl 2 186 1 OR . 2 2 22 22 TRP H H . . . 2 2 19 19 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP H . . B . 19 PRO HB2 . B . 22 . HN . . . B . 19 . HB# . . rr_2fyl 2 186 2 OR . 2 2 19 19 PRO HB3 H . . . 2 2 22 22 TRP H H . . . . . 4.00 1.8 5.0 . . . . . B . 19 PRO HB3 . . B . 22 TRP H . B . 19 . HB# . . . B . 22 . HN . . rr_2fyl 2 187 1 OR . 2 2 22 22 TRP HD1 H . . . 2 2 19 19 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HD1 . . B . 19 PRO HB2 . B . 22 . HD1 . . . B . 19 . HB# . . rr_2fyl 2 187 2 OR . 2 2 19 19 PRO HB3 H . . . 2 2 22 22 TRP HD1 H . . . . . 4.00 1.8 5.0 . . . . . B . 19 PRO HB3 . . B . 22 TRP HD1 . B . 19 . HB# . . . B . 22 . HD1 . . rr_2fyl 2 188 1 OR . 2 2 22 22 TRP HE1 H . . . 2 2 19 19 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HE1 . . B . 19 PRO HB2 . B . 22 . HE1 . . . B . 19 . HB# . . rr_2fyl 2 188 2 OR . 2 2 19 19 PRO HB3 H . . . 2 2 22 22 TRP HE1 H . . . . . 4.00 1.8 5.0 . . . . . B . 19 PRO HB3 . . B . 22 TRP HE1 . B . 19 . HB# . . . B . 22 . HE1 . . rr_2fyl 2 189 1 OR . 2 2 22 22 TRP HZ2 H . . . 2 2 19 19 PRO HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HZ2 . . B . 19 PRO HB2 . B . 22 . HZ2 . . . B . 19 . HB# . . rr_2fyl 2 189 2 OR . 2 2 19 19 PRO HB3 H . . . 2 2 22 22 TRP HZ2 H . . . . . 4.00 1.8 5.0 . . . . . B . 19 PRO HB3 . . B . 22 TRP HZ2 . B . 19 . HB# . . . B . 22 . HZ2 . . rr_2fyl 2 190 1 . . 2 2 20 20 ILE H H . . . 2 2 20 20 ILE HB H . . . . . 3.00 1.8 3.3 . . . . . B . 20 ILE H . . B . 20 ILE HB . B . 20 . HN . . . B . 20 . HB . . rr_2fyl 2 191 1 . . 2 2 20 20 ILE H H . . . 2 2 20 20 ILE MG H . . . . . 3.00 1.8 3.8 . . . . . B . 20 ILE H . . B . 20 ILE MG . B . 20 . HN . . . B . 20 . HG2# . . rr_2fyl 2 192 1 OR . 2 2 20 20 ILE H H . . . 2 2 20 20 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE H . . B . 20 ILE HG12 . B . 20 . HN . . . B . 20 . HG1# . . rr_2fyl 2 192 2 OR . 2 2 20 20 ILE H H . . . 2 2 20 20 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE H . . B . 20 ILE HG13 . B . 20 . HN . . . B . 20 . HG1# . . rr_2fyl 2 193 1 . . 2 2 20 20 ILE H H . . . 2 2 20 20 ILE MD H . . . . . 4.00 1.8 5.4 . . . . . B . 20 ILE H . . B . 20 ILE MD . B . 20 . HN . . . B . 20 . HD# . . rr_2fyl 2 194 1 . . 2 2 20 20 ILE H H . . . 2 2 23 23 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 20 ILE H . . B . 23 THR MG . B . 20 . HN . . . B . 23 . HG2# . . rr_2fyl 2 195 1 . . 2 2 20 20 ILE MD H . . . 2 2 20 20 ILE HA H . . . . . 3.00 1.8 3.7 . . . . . B . 20 ILE MD . . B . 20 ILE HA . B . 20 . HD# . . . B . 20 . HA . . rr_2fyl 2 196 1 . . 2 2 20 20 ILE HA H . . . 2 2 22 22 TRP H H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE HA . . B . 22 TRP H . B . 20 . HA . . . B . 22 . HN . . rr_2fyl 2 197 1 . . 2 2 20 20 ILE HA H . . . 2 2 23 23 THR H H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE HA . . B . 23 THR H . B . 20 . HA . . . B . 23 . HN . . rr_2fyl 2 198 1 . . 2 2 20 20 ILE HA H . . . 2 2 23 23 THR MG H . . . . . 3.00 1.8 3.8 . . . . . B . 20 ILE HA . . B . 23 THR MG . B . 20 . HA . . . B . 23 . HG2# . . rr_2fyl 2 199 1 OR . 2 2 20 20 ILE HB H . . . 2 2 21 21 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE HB . . B . 21 SER HB2 . B . 20 . HB . . . B . 21 . HB# . . rr_2fyl 2 199 2 OR . 2 2 20 20 ILE HB H . . . 2 2 21 21 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE HB . . B . 21 SER HB3 . B . 20 . HB . . . B . 21 . HB# . . rr_2fyl 2 200 1 . . 2 2 20 20 ILE HB H . . . 2 2 22 22 TRP H H . . . . . 4.00 1.8 5.0 . . . . . B . 20 ILE HB . . B . 22 TRP H . B . 20 . HB . . . B . 22 . HN . . rr_2fyl 2 201 1 . . 2 2 20 20 ILE HB H . . . 2 2 23 23 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 20 ILE HB . . B . 23 THR MG . B . 20 . HB . . . B . 23 . HG2# . . rr_2fyl 2 202 1 . . 2 2 20 20 ILE MG H . . . 2 2 21 21 SER HA H . . . . . 4.00 1.8 5.5 . . . . . B . 20 ILE MG . . B . 21 SER HA . B . 20 . HG2# . . . B . 21 . HA . . rr_2fyl 2 203 1 OR . 2 2 20 20 ILE MG H . . . 2 2 21 21 SER HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 20 ILE MG . . B . 21 SER HB2 . B . 20 . HG2# . . . B . 21 . HB# . . rr_2fyl 2 203 2 OR . 2 2 20 20 ILE MG H . . . 2 2 21 21 SER HB3 H . . . . . 4.00 1.8 5.5 . . . . . B . 20 ILE MG . . B . 21 SER HB3 . B . 20 . HG2# . . . B . 21 . HB# . . rr_2fyl 2 204 1 OR . 2 2 23 23 THR MG H . . . 2 2 20 20 ILE HG12 H . . . . . 4.00 1.8 5.5 . . . . . B . 23 THR MG . . B . 20 ILE HG12 . B . 23 . HG2# . . . B . 20 . HG1# . . rr_2fyl 2 204 2 OR . 2 2 20 20 ILE HG13 H . . . 2 2 23 23 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 20 ILE HG13 . . B . 23 THR MG . B . 20 . HG1# . . . B . 23 . HG2# . . rr_2fyl 2 205 1 . . 2 2 22 22 TRP H H . . . 2 2 21 21 SER HA H . . . . . 3.00 1.8 3.3 . . . . . B . 22 TRP H . . B . 21 SER HA . B . 22 . HN . . . B . 21 . HA . . rr_2fyl 2 206 1 OR . 2 2 21 21 SER HB3 H . . . 2 2 22 22 TRP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 21 SER HB3 . . B . 22 TRP HB2 . B . 21 . HB# . . . B . 22 . HB# . . rr_2fyl 2 206 2 OR . 2 2 21 21 SER HB2 H . . . 2 2 22 22 TRP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 21 SER HB2 . . B . 22 TRP HB2 . B . 21 . HB# . . . B . 22 . HB# . . rr_2fyl 2 206 3 OR . 2 2 22 22 TRP HB3 H . . . 2 2 21 21 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HB3 . . B . 21 SER HB2 . B . 22 . HB# . . . B . 21 . HB# . . rr_2fyl 2 206 4 OR . 2 2 22 22 TRP HB3 H . . . 2 2 21 21 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HB3 . . B . 21 SER HB3 . B . 22 . HB# . . . B . 21 . HB# . . rr_2fyl 2 207 1 OR . 2 2 22 22 TRP HD1 H . . . 2 2 21 21 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HD1 . . B . 21 SER HB2 . B . 22 . HD1 . . . B . 21 . HB# . . rr_2fyl 2 207 2 OR . 2 2 22 22 TRP HD1 H . . . 2 2 21 21 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HD1 . . B . 21 SER HB3 . B . 22 . HD1 . . . B . 21 . HB# . . rr_2fyl 2 208 1 . . 2 2 22 22 TRP H H . . . 2 2 22 22 TRP HD1 H . . . . . 3.00 1.8 3.3 . . . . . B . 22 TRP H . . B . 22 TRP HD1 . B . 22 . HN . . . B . 22 . HD1 . . rr_2fyl 2 209 1 . . 2 2 22 22 TRP H H . . . 2 2 22 22 TRP HE1 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP H . . B . 22 TRP HE1 . B . 22 . HN . . . B . 22 . HE1 . . rr_2fyl 2 210 1 . . 2 2 23 23 THR H H . . . 2 2 22 22 TRP H H . . . . . 3.00 1.8 3.3 . . . . . B . 23 THR H . . B . 22 TRP H . B . 23 . HN . . . B . 22 . HN . . rr_2fyl 2 211 1 . . 2 2 23 23 THR MG H . . . 2 2 22 22 TRP H H . . . . . 4.00 1.8 5.5 . . . . . B . 23 THR MG . . B . 22 TRP H . B . 23 . HG2# . . . B . 22 . HN . . rr_2fyl 2 212 1 . . 2 2 22 22 TRP HD1 H . . . 2 2 22 22 TRP HA H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HD1 . . B . 22 TRP HA . B . 22 . HD1 . . . B . 22 . HA . . rr_2fyl 2 213 1 . . 2 2 23 23 THR H H . . . 2 2 22 22 TRP HA H . . . . . 3.00 1.8 3.3 . . . . . B . 23 THR H . . B . 22 TRP HA . B . 23 . HN . . . B . 22 . HA . . rr_2fyl 2 214 1 OR . 2 2 23 23 THR H H . . . 2 2 22 22 TRP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 23 THR H . . B . 22 TRP HB2 . B . 23 . HN . . . B . 22 . HB# . . rr_2fyl 2 214 2 OR . 2 2 23 23 THR H H . . . 2 2 22 22 TRP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 23 THR H . . B . 22 TRP HB3 . B . 23 . HN . . . B . 22 . HB# . . rr_2fyl 2 215 1 OR . 2 2 22 22 TRP HE3 H . . . 2 2 29 29 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 22 TRP HE3 . . B . 29 ASP HB2 . B . 22 . HE3 . . . B . 29 . HB# . . rr_2fyl 2 215 2 OR . 2 2 29 29 ASP HB3 H . . . 2 2 22 22 TRP HE3 H . . . . . 4.00 1.8 5.0 . . . . . B . 29 ASP HB3 . . B . 22 TRP HE3 . B . 29 . HB# . . . B . 22 . HE3 . . rr_2fyl 2 216 1 . . 2 2 23 23 THR MG H . . . 2 2 23 23 THR H H . . . . . 3.00 1.8 3.8 . . . . . B . 23 THR MG . . B . 23 THR H . B . 23 . HG2# . . . B . 23 . HN . . rr_2fyl 2 217 1 OR . 2 2 23 23 THR H H . . . 2 2 24 24 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 23 THR H . . B . 24 CYS HB2 . B . 23 . HN . . . B . 24 . HB# . . rr_2fyl 2 217 2 OR . 2 2 23 23 THR H H . . . 2 2 24 24 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 23 THR H . . B . 24 CYS HB3 . B . 23 . HN . . . B . 24 . HB# . . rr_2fyl 2 218 1 . . 2 2 23 23 THR HA H . . . 2 2 24 24 CYS H H . . . . . 3.00 1.8 3.3 . . . . . B . 23 THR HA . . B . 24 CYS H . B . 23 . HA . . . B . 24 . HN . . rr_2fyl 2 219 1 OR . 2 2 23 23 THR HA H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 23 THR HA . . B . 35 ASP HB2 . B . 23 . HA . . . B . 35 . HB# . . rr_2fyl 2 219 2 OR . 2 2 35 35 ASP HB3 H . . . 2 2 23 23 THR HA H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HB3 . . B . 23 THR HA . B . 35 . HB# . . . B . 23 . HA . . rr_2fyl 2 220 1 . . 2 2 24 24 CYS H H . . . 2 2 23 23 THR HB H . . . . . 4.00 1.8 5.0 . . . . . B . 24 CYS H . . B . 23 THR HB . B . 24 . HN . . . B . 23 . HB . . rr_2fyl 2 221 1 . . 2 2 35 35 ASP HA H . . . 2 2 23 23 THR HB H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HA . . B . 23 THR HB . B . 35 . HA . . . B . 23 . HB . . rr_2fyl 2 222 1 OR . 2 2 23 23 THR HB H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 23 THR HB . . B . 35 ASP HB2 . B . 23 . HB . . . B . 35 . HB# . . rr_2fyl 2 222 2 OR . 2 2 35 35 ASP HB3 H . . . 2 2 23 23 THR HB H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HB3 . . B . 23 THR HB . B . 35 . HB# . . . B . 23 . HB . . rr_2fyl 2 223 1 . . 2 2 23 23 THR MG H . . . 2 2 24 24 CYS H H . . . . . 4.00 1.8 5.5 . . . . . B . 23 THR MG . . B . 24 CYS H . B . 23 . HG2# . . . B . 24 . HN . . rr_2fyl 2 224 1 . . 2 2 23 23 THR MG H . . . 2 2 35 35 ASP HA H . . . . . 4.00 1.8 5.5 . . . . . B . 23 THR MG . . B . 35 ASP HA . B . 23 . HG2# . . . B . 35 . HA . . rr_2fyl 2 225 1 OR . 2 2 23 23 THR MG H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 23 THR MG . . B . 35 ASP HB2 . B . 23 . HG2# . . . B . 35 . HB# . . rr_2fyl 2 225 2 OR . 2 2 23 23 THR MG H . . . 2 2 35 35 ASP HB3 H . . . . . 4.00 1.8 5.5 . . . . . B . 23 THR MG . . B . 35 ASP HB3 . B . 23 . HG2# . . . B . 35 . HB# . . rr_2fyl 2 226 1 . . 2 2 24 24 CYS H H . . . 2 2 24 24 CYS HA H . . . . . 2.40 1.8 2.7 . . . . . B . 24 CYS H . . B . 24 CYS HA . B . 24 . HN . . . B . 24 . HA . . rr_2fyl 2 227 1 OR . 2 2 24 24 CYS H H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 24 CYS H . . B . 35 ASP HB2 . B . 24 . HN . . . B . 35 . HB# . . rr_2fyl 2 227 2 OR . 2 2 35 35 ASP HB3 H . . . 2 2 24 24 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HB3 . . B . 24 CYS H . B . 35 . HB# . . . B . 24 . HN . . rr_2fyl 2 228 1 . . 2 2 24 24 CYS HA H . . . 2 2 40 40 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 24 CYS HA . . B . 40 CYS H . B . 24 . HA . . . B . 40 . HN . . rr_2fyl 2 229 1 OR . 2 2 40 40 CYS H H . . . 2 2 24 24 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 40 CYS H . . B . 24 CYS HB2 . B . 40 . HN . . . B . 24 . HB# . . rr_2fyl 2 229 2 OR . 2 2 24 24 CYS HB3 H . . . 2 2 40 40 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 24 CYS HB3 . . B . 40 CYS H . B . 24 . HB# . . . B . 40 . HN . . rr_2fyl 2 230 1 OR . 2 2 24 24 CYS HB2 H . . . 2 2 40 40 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 24 CYS HB2 . . B . 40 CYS HB2 . B . 24 . HB# . . . B . 40 . HB# . . rr_2fyl 2 230 2 OR . 2 2 24 24 CYS HB3 H . . . 2 2 40 40 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 24 CYS HB3 . . B . 40 CYS HB2 . B . 24 . HB# . . . B . 40 . HB# . . rr_2fyl 2 230 3 OR . 2 2 40 40 CYS HB3 H . . . 2 2 24 24 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 40 CYS HB3 . . B . 24 CYS HB2 . B . 40 . HB# . . . B . 24 . HB# . . rr_2fyl 2 230 4 OR . 2 2 24 24 CYS HB3 H . . . 2 2 40 40 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 24 CYS HB3 . . B . 40 CYS HB3 . B . 24 . HB# . . . B . 40 . HB# . . rr_2fyl 2 231 1 . . 2 2 25 25 ASP H H . . . 2 2 26 26 LEU H H . . . . . 3.00 1.8 3.3 . . . . . B . 25 ASP H . . B . 26 LEU H . B . 25 . HN . . . B . 26 . HN . . rr_2fyl 2 232 1 . . 2 2 25 25 ASP H H . . . 2 2 26 26 LEU HA H . . . . . 4.00 1.8 5.0 . . . . . B . 25 ASP H . . B . 26 LEU HA . B . 25 . HN . . . B . 26 . HA . . rr_2fyl 2 233 1 OR . 2 2 25 25 ASP H H . . . 2 2 26 26 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 25 ASP H . . B . 26 LEU MD1 . B . 25 . HN . . . B . 26 . HD* . . rr_2fyl 2 233 2 OR . 2 2 25 25 ASP H H . . . 2 2 26 26 LEU MD2 H . . . . . 4.00 1.8 5.5 . . . . . B . 25 ASP H . . B . 26 LEU MD2 . B . 25 . HN . . . B . 26 . HD* . . rr_2fyl 2 234 1 . . 2 2 25 25 ASP H H . . . 2 2 27 27 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 25 ASP H . . B . 27 ASP H . B . 25 . HN . . . B . 27 . HN . . rr_2fyl 2 235 1 . . 2 2 26 26 LEU H H . . . 2 2 26 26 LEU HG H . . . . . 4.00 1.8 5.0 . . . . . B . 26 LEU H . . B . 26 LEU HG . B . 26 . HN . . . B . 26 . HG . . rr_2fyl 2 236 1 OR . 2 2 26 26 LEU H H . . . 2 2 26 26 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 26 LEU H . . B . 26 LEU MD1 . B . 26 . HN . . . B . 26 . HD* . . rr_2fyl 2 236 2 OR . 2 2 26 26 LEU H H . . . 2 2 26 26 LEU MD2 H . . . . . 4.00 1.8 5.5 . . . . . B . 26 LEU H . . B . 26 LEU MD2 . B . 26 . HN . . . B . 26 . HD* . . rr_2fyl 2 237 1 . . 2 2 26 26 LEU H H . . . 2 2 27 27 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 26 LEU H . . B . 27 ASP H . B . 26 . HN . . . B . 27 . HN . . rr_2fyl 2 238 1 OR . 2 2 26 26 LEU H H . . . 2 2 27 27 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 26 LEU H . . B . 27 ASP HB2 . B . 26 . HN . . . B . 27 . HB# . . rr_2fyl 2 238 2 OR . 2 2 26 26 LEU H H . . . 2 2 27 27 ASP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 26 LEU H . . B . 27 ASP HB3 . B . 26 . HN . . . B . 27 . HB# . . rr_2fyl 2 239 1 OR . 2 2 27 27 ASP H H . . . 2 2 26 26 LEU HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 27 ASP H . . B . 26 LEU HB2 . B . 27 . HN . . . B . 26 . HB# . . rr_2fyl 2 239 2 OR . 2 2 27 27 ASP H H . . . 2 2 26 26 LEU HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 27 ASP H . . B . 26 LEU HB3 . B . 27 . HN . . . B . 26 . HB# . . rr_2fyl 2 240 1 OR . 2 2 26 26 LEU HB3 H . . . 2 2 27 27 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 26 LEU HB3 . . B . 27 ASP HB2 . B . 26 . HB# . . . B . 27 . HB# . . rr_2fyl 2 240 2 OR . 2 2 26 26 LEU HB2 H . . . 2 2 27 27 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 26 LEU HB2 . . B . 27 ASP HB2 . B . 26 . HB# . . . B . 27 . HB# . . rr_2fyl 2 240 3 OR . 2 2 27 27 ASP HB3 H . . . 2 2 26 26 LEU HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 27 ASP HB3 . . B . 26 LEU HB2 . B . 27 . HB# . . . B . 26 . HB# . . rr_2fyl 2 240 4 OR . 2 2 27 27 ASP HB3 H . . . 2 2 26 26 LEU HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 27 ASP HB3 . . B . 26 LEU HB3 . B . 27 . HB# . . . B . 26 . HB# . . rr_2fyl 2 241 1 . . 2 2 27 27 ASP H H . . . 2 2 26 26 LEU HG H . . . . . 4.00 1.8 5.0 . . . . . B . 27 ASP H . . B . 26 LEU HG . B . 27 . HN . . . B . 26 . HG . . rr_2fyl 2 242 1 OR . 2 2 27 27 ASP H H . . . 2 2 26 26 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 27 ASP H . . B . 26 LEU MD1 . B . 27 . HN . . . B . 26 . HD* . . rr_2fyl 2 242 2 OR . 2 2 26 26 LEU MD2 H . . . 2 2 27 27 ASP H H . . . . . 4.00 1.8 5.5 . . . . . B . 26 LEU MD2 . . B . 27 ASP H . B . 26 . HD* . . . B . 27 . HN . . rr_2fyl 2 243 1 . . 2 2 29 29 ASP H H . . . 2 2 30 30 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 29 ASP H . . B . 30 CYS H . B . 29 . HN . . . B . 30 . HN . . rr_2fyl 2 244 1 . . 2 2 30 30 CYS H H . . . 2 2 29 29 ASP HA H . . . . . 3.00 1.8 3.3 . . . . . B . 30 CYS H . . B . 29 ASP HA . B . 30 . HN . . . B . 29 . HA . . rr_2fyl 2 245 1 . . 2 2 30 30 CYS H H . . . 2 2 31 31 GLY H H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS H . . B . 31 GLY H . B . 30 . HN . . . B . 31 . HN . . rr_2fyl 2 246 1 OR . 2 2 30 30 CYS H H . . . 2 2 31 31 GLY HA2 H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS H . . B . 31 GLY HA2 . B . 30 . HN . . . B . 31 . HA# . . rr_2fyl 2 246 2 OR . 2 2 30 30 CYS H H . . . 2 2 31 31 GLY HA3 H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS H . . B . 31 GLY HA3 . B . 30 . HN . . . B . 31 . HA# . . rr_2fyl 2 247 1 . . 2 2 30 30 CYS H H . . . 2 2 32 32 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS H . . B . 32 ASP H . B . 30 . HN . . . B . 32 . HN . . rr_2fyl 2 248 1 OR . 2 2 31 31 GLY H H . . . 2 2 30 30 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 31 GLY H . . B . 30 CYS HB2 . B . 31 . HN . . . B . 30 . HB# . . rr_2fyl 2 248 2 OR . 2 2 30 30 CYS HB3 H . . . 2 2 31 31 GLY H H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 31 GLY H . B . 30 . HB# . . . B . 31 . HN . . rr_2fyl 2 249 1 OR . 2 2 32 32 ASP H H . . . 2 2 30 30 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 32 ASP H . . B . 30 CYS HB2 . B . 32 . HN . . . B . 30 . HB# . . rr_2fyl 2 249 2 OR . 2 2 30 30 CYS HB3 H . . . 2 2 32 32 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 32 ASP H . B . 30 . HB# . . . B . 32 . HN . . rr_2fyl 2 250 1 OR . 2 2 33 33 ARG H H . . . 2 2 30 30 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 33 ARG H . . B . 30 CYS HB2 . B . 33 . HN . . . B . 30 . HB# . . rr_2fyl 2 250 2 OR . 2 2 30 30 CYS HB3 H . . . 2 2 33 33 ARG H H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 33 ARG H . B . 30 . HB# . . . B . 33 . HN . . rr_2fyl 2 251 1 OR . 2 2 30 30 CYS HB2 H . . . 2 2 33 33 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB2 . . B . 33 ARG HB2 . B . 30 . HB# . . . B . 33 . HB# . . rr_2fyl 2 251 2 OR . 2 2 30 30 CYS HB3 H . . . 2 2 33 33 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 33 ARG HB2 . B . 30 . HB# . . . B . 33 . HB# . . rr_2fyl 2 251 3 OR . 2 2 33 33 ARG HB3 H . . . 2 2 30 30 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 33 ARG HB3 . . B . 30 CYS HB2 . B . 33 . HB# . . . B . 30 . HB# . . rr_2fyl 2 251 4 OR . 2 2 30 30 CYS HB3 H . . . 2 2 33 33 ARG HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 33 ARG HB3 . B . 30 . HB# . . . B . 33 . HB# . . rr_2fyl 2 252 1 OR . 2 2 30 30 CYS HB2 H . . . 2 2 33 33 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB2 . . B . 33 ARG HG2 . B . 30 . HB# . . . B . 33 . HG# . . rr_2fyl 2 252 2 OR . 2 2 30 30 CYS HB3 H . . . 2 2 33 33 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 33 ARG HG2 . B . 30 . HB# . . . B . 33 . HG# . . rr_2fyl 2 252 3 OR . 2 2 33 33 ARG HG3 H . . . 2 2 30 30 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 33 ARG HG3 . . B . 30 CYS HB2 . B . 33 . HG# . . . B . 30 . HB# . . rr_2fyl 2 252 4 OR . 2 2 30 30 CYS HB3 H . . . 2 2 33 33 ARG HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 33 ARG HG3 . B . 30 . HB# . . . B . 33 . HG# . . rr_2fyl 2 253 1 OR . 2 2 34 34 SER H H . . . 2 2 30 30 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 34 SER H . . B . 30 CYS HB2 . B . 34 . HN . . . B . 30 . HB# . . rr_2fyl 2 253 2 OR . 2 2 30 30 CYS HB3 H . . . 2 2 34 34 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 34 SER H . B . 30 . HB# . . . B . 34 . HN . . rr_2fyl 2 254 1 OR . 2 2 35 35 ASP H H . . . 2 2 30 30 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP H . . B . 30 CYS HB2 . B . 35 . HN . . . B . 30 . HB# . . rr_2fyl 2 254 2 OR . 2 2 30 30 CYS HB3 H . . . 2 2 35 35 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 30 CYS HB3 . . B . 35 ASP H . B . 30 . HB# . . . B . 35 . HN . . rr_2fyl 2 255 1 . . 2 2 31 31 GLY H H . . . 2 2 32 32 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 31 GLY H . . B . 32 ASP H . B . 31 . HN . . . B . 32 . HN . . rr_2fyl 2 256 1 OR . 2 2 31 31 GLY H H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 31 GLY H . . B . 35 ASP HB2 . B . 31 . HN . . . B . 35 . HB# . . rr_2fyl 2 256 2 OR . 2 2 35 35 ASP HB3 H . . . 2 2 31 31 GLY H H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HB3 . . B . 31 GLY H . B . 35 . HB# . . . B . 31 . HN . . rr_2fyl 2 257 1 . . 2 2 32 32 ASP H H . . . 2 2 33 33 ARG H H . . . . . 3.00 1.8 3.3 . . . . . B . 32 ASP H . . B . 33 ARG H . B . 32 . HN . . . B . 33 . HN . . rr_2fyl 2 258 1 OR . 2 2 32 32 ASP H H . . . 2 2 33 33 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 32 ASP H . . B . 33 ARG HB2 . B . 32 . HN . . . B . 33 . HB# . . rr_2fyl 2 258 2 OR . 2 2 32 32 ASP H H . . . 2 2 33 33 ARG HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 32 ASP H . . B . 33 ARG HB3 . B . 32 . HN . . . B . 33 . HB# . . rr_2fyl 2 259 1 OR . 2 2 32 32 ASP H H . . . 2 2 33 33 ARG HG2 H . . . . . 4.50 1.8 6.0 . . . . . B . 32 ASP H . . B . 33 ARG HG2 . B . 32 . HN . . . B . 33 . HG# . . rr_2fyl 2 259 2 OR . 2 2 32 32 ASP H H . . . 2 2 33 33 ARG HG3 H . . . . . 4.50 1.8 6.0 . . . . . B . 32 ASP H . . B . 33 ARG HG3 . B . 32 . HN . . . B . 33 . HG# . . rr_2fyl 2 260 1 . . 2 2 32 32 ASP H H . . . 2 2 34 34 SER H H . . . . . 4.50 1.8 6.0 . . . . . B . 32 ASP H . . B . 34 SER H . B . 32 . HN . . . B . 34 . HN . . rr_2fyl 2 261 1 . . 2 2 32 32 ASP H H . . . 2 2 35 35 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 32 ASP H . . B . 35 ASP H . B . 32 . HN . . . B . 35 . HN . . rr_2fyl 2 262 1 OR . 2 2 32 32 ASP H H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 32 ASP H . . B . 35 ASP HB2 . B . 32 . HN . . . B . 35 . HB# . . rr_2fyl 2 262 2 OR . 2 2 35 35 ASP HB3 H . . . 2 2 32 32 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HB3 . . B . 32 ASP H . B . 35 . HB# . . . B . 32 . HN . . rr_2fyl 2 263 1 . . 2 2 32 32 ASP H H . . . 2 2 36 36 GLU H H . . . . . 4.00 1.8 5.0 . . . . . B . 32 ASP H . . B . 36 GLU H . B . 32 . HN . . . B . 36 . HN . . rr_2fyl 2 264 1 OR . 2 2 33 33 ARG H H . . . 2 2 33 33 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 33 ARG H . . B . 33 ARG HG2 . B . 33 . HN . . . B . 33 . HG# . . rr_2fyl 2 264 2 OR . 2 2 33 33 ARG H H . . . 2 2 33 33 ARG HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 33 ARG H . . B . 33 ARG HG3 . B . 33 . HN . . . B . 33 . HG# . . rr_2fyl 2 265 1 . . 2 2 33 33 ARG H H . . . 2 2 34 34 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 33 ARG H . . B . 34 SER H . B . 33 . HN . . . B . 34 . HN . . rr_2fyl 2 266 1 . . 2 2 35 35 ASP H H . . . 2 2 33 33 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP H . . B . 33 ARG HA . B . 35 . HN . . . B . 33 . HA . . rr_2fyl 2 267 1 OR . 2 2 34 34 SER H H . . . 2 2 33 33 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 34 SER H . . B . 33 ARG HG2 . B . 34 . HN . . . B . 33 . HG# . . rr_2fyl 2 267 2 OR . 2 2 33 33 ARG HG3 H . . . 2 2 34 34 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 33 ARG HG3 . . B . 34 SER H . B . 33 . HG# . . . B . 34 . HN . . rr_2fyl 2 268 1 OR . 2 2 35 35 ASP H H . . . 2 2 33 33 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP H . . B . 33 ARG HG2 . B . 35 . HN . . . B . 33 . HG# . . rr_2fyl 2 268 2 OR . 2 2 33 33 ARG HG3 H . . . 2 2 35 35 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 33 ARG HG3 . . B . 35 ASP H . B . 33 . HG# . . . B . 35 . HN . . rr_2fyl 2 269 1 . . 2 2 34 34 SER H H . . . 2 2 35 35 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 34 SER H . . B . 35 ASP H . B . 34 . HN . . . B . 35 . HN . . rr_2fyl 2 270 1 OR . 2 2 34 34 SER H H . . . 2 2 35 35 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 34 SER H . . B . 35 ASP HB2 . B . 34 . HN . . . B . 35 . HB# . . rr_2fyl 2 270 2 OR . 2 2 35 35 ASP HB3 H . . . 2 2 34 34 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HB3 . . B . 34 SER H . B . 35 . HB# . . . B . 34 . HN . . rr_2fyl 2 271 1 . . 2 2 34 34 SER H H . . . 2 2 36 36 GLU H H . . . . . 4.00 1.8 5.0 . . . . . B . 34 SER H . . B . 36 GLU H . B . 34 . HN . . . B . 36 . HN . . rr_2fyl 2 272 1 . . 2 2 36 36 GLU H H . . . 2 2 34 34 SER HA H . . . . . 4.00 1.8 5.0 . . . . . B . 36 GLU H . . B . 34 SER HA . B . 36 . HN . . . B . 34 . HA . . rr_2fyl 2 273 1 OR . 2 2 36 36 GLU H H . . . 2 2 34 34 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 36 GLU H . . B . 34 SER HB2 . B . 36 . HN . . . B . 34 . HB# . . rr_2fyl 2 273 2 OR . 2 2 36 36 GLU H H . . . 2 2 34 34 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 36 GLU H . . B . 34 SER HB3 . B . 36 . HN . . . B . 34 . HB# . . rr_2fyl 2 274 1 . . 2 2 35 35 ASP H H . . . 2 2 36 36 GLU H H . . . . . 3.00 1.8 3.3 . . . . . B . 35 ASP H . . B . 36 GLU H . B . 35 . HN . . . B . 36 . HN . . rr_2fyl 2 275 1 . . 2 2 35 35 ASP HA H . . . 2 2 36 36 GLU H H . . . . . 3.00 1.8 3.3 . . . . . B . 35 ASP HA . . B . 36 GLU H . B . 35 . HA . . . B . 36 . HN . . rr_2fyl 2 276 1 . . 2 2 35 35 ASP HA H . . . 2 2 37 37 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 35 ASP HA . . B . 37 SER H . B . 35 . HA . . . B . 37 . HN . . rr_2fyl 2 277 1 OR . 2 2 36 36 GLU H H . . . 2 2 36 36 GLU HG2 H . . . . . 3.00 1.8 3.3 . . . . . B . 36 GLU H . . B . 36 GLU HG2 . B . 36 . HN . . . B . 36 . HG# . . rr_2fyl 2 277 2 OR . 2 2 36 36 GLU H H . . . 2 2 36 36 GLU HG3 H . . . . . 3.00 1.8 3.3 . . . . . B . 36 GLU H . . B . 36 GLU HG3 . B . 36 . HN . . . B . 36 . HG# . . rr_2fyl 2 278 1 . . 2 2 36 36 GLU H H . . . 2 2 37 37 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 36 GLU H . . B . 37 SER H . B . 36 . HN . . . B . 37 . HN . . rr_2fyl 2 279 1 . . 2 2 37 37 SER H H . . . 2 2 36 36 GLU HA H . . . . . 3.00 1.8 3.3 . . . . . B . 37 SER H . . B . 36 GLU HA . B . 37 . HN . . . B . 36 . HA . . rr_2fyl 2 280 1 OR . 2 2 37 37 SER H H . . . 2 2 36 36 GLU HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 37 SER H . . B . 36 GLU HG2 . B . 37 . HN . . . B . 36 . HG# . . rr_2fyl 2 280 2 OR . 2 2 37 37 SER H H . . . 2 2 36 36 GLU HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 37 SER H . . B . 36 GLU HG3 . B . 37 . HN . . . B . 36 . HG# . . rr_2fyl 2 281 1 OR . 2 2 37 37 SER H H . . . 2 2 40 40 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 37 SER H . . B . 40 CYS HB2 . B . 37 . HN . . . B . 40 . HB# . . rr_2fyl 2 281 2 OR . 2 2 40 40 CYS HB3 H . . . 2 2 37 37 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 40 CYS HB3 . . B . 37 SER H . B . 40 . HB# . . . B . 37 . HN . . rr_2fyl 2 282 1 . . 2 2 40 40 CYS H H . . . 2 2 37 37 SER HA H . . . . . 4.00 1.8 5.0 . . . . . B . 40 CYS H . . B . 37 SER HA . B . 40 . HN . . . B . 37 . HA . . rr_2fyl 2 283 1 . . 2 2 40 40 CYS H H . . . 2 2 38 38 ALA HA H . . . . . 4.00 1.8 5.0 . . . . . B . 40 CYS H . . B . 38 ALA HA . B . 40 . HN . . . B . 38 . HA . . rr_2fyl 2 284 1 . . 2 2 38 38 ALA MB H . . . 2 2 39 39 SER HA H . . . . . 4.00 1.8 5.5 . . . . . B . 38 ALA MB . . B . 39 SER HA . B . 38 . HB# . . . B . 39 . HA . . rr_2fyl 2 285 1 OR . 2 2 38 38 ALA MB H . . . 2 2 39 39 SER HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 38 ALA MB . . B . 39 SER HB2 . B . 38 . HB# . . . B . 39 . HB# . . rr_2fyl 2 285 2 OR . 2 2 39 39 SER HB3 H . . . 2 2 38 38 ALA MB H . . . . . 4.00 1.8 5.5 . . . . . B . 39 SER HB3 . . B . 38 ALA MB . B . 39 . HB# . . . B . 38 . HB# . . rr_2fyl 2 286 1 . . 2 2 40 40 CYS H H . . . 2 2 38 38 ALA MB H . . . . . 4.00 1.8 5.5 . . . . . B . 40 CYS H . . B . 38 ALA MB . B . 40 . HN . . . B . 38 . HB# . . rr_2fyl 2 287 1 . . 2 2 40 40 CYS H H . . . 2 2 39 39 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 40 CYS H . . B . 39 SER H . B . 40 . HN . . . B . 39 . HN . . rr_2fyl 2 288 1 . . 2 2 43 43 PRO HA H . . . 2 2 44 44 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 43 PRO HA . . B . 44 THR MG . B . 43 . HA . . . B . 44 . HG2# . . rr_2fyl 2 289 1 . . 2 2 43 43 PRO HA H . . . 2 2 45 45 CYS H H . . . . . 4.50 1.8 6.0 . . . . . B . 43 PRO HA . . B . 45 CYS H . B . 43 . HA . . . B . 45 . HN . . rr_2fyl 2 290 1 . . 2 2 45 45 CYS H H . . . 2 2 44 44 THR H H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS H . . B . 44 THR H . B . 45 . HN . . . B . 44 . HN . . rr_2fyl 2 291 1 . . 2 2 45 45 CYS H H . . . 2 2 44 44 THR HA H . . . . . 3.00 1.8 3.3 . . . . . B . 45 CYS H . . B . 44 THR HA . B . 45 . HN . . . B . 44 . HA . . rr_2fyl 2 292 1 OR . 2 2 44 44 THR HA H . . . 2 2 45 45 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 44 THR HA . . B . 45 CYS HB2 . B . 44 . HA . . . B . 45 . HB# . . rr_2fyl 2 292 2 OR . 2 2 44 44 THR HA H . . . 2 2 45 45 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 44 THR HA . . B . 45 CYS HB3 . B . 44 . HA . . . B . 45 . HB# . . rr_2fyl 2 293 1 . . 2 2 45 45 CYS H H . . . 2 2 44 44 THR HB H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS H . . B . 44 THR HB . B . 45 . HN . . . B . 44 . HB . . rr_2fyl 2 294 1 . . 2 2 44 44 THR MG H . . . 2 2 45 45 CYS H H . . . . . 3.00 1.8 3.8 . . . . . B . 44 THR MG . . B . 45 CYS H . B . 44 . HG2# . . . B . 45 . HN . . rr_2fyl 2 295 1 . . 2 2 44 44 THR MG H . . . 2 2 46 46 PHE H H . . . . . 4.00 1.8 5.5 . . . . . B . 44 THR MG . . B . 46 PHE H . B . 44 . HG2# . . . B . 46 . HN . . rr_2fyl 2 296 1 . . 2 2 44 44 THR MG H . . . 2 2 46 46 PHE QD H . . . . . 4.00 1.8 5.5 . . . . . B . 44 THR MG . . B . 46 PHE QD . B . 44 . HG2# . . . B . 46 . HD# . . rr_2fyl 2 297 1 . . 2 2 44 44 THR MG H . . . 2 2 46 46 PHE QE H . . . . . 4.00 1.8 5.5 . . . . . B . 44 THR MG . . B . 46 PHE QE . B . 44 . HG2# . . . B . 46 . HE# . . rr_2fyl 2 298 1 OR . 2 2 45 45 CYS H H . . . 2 2 58 58 CYS HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 45 CYS H . . B . 58 CYS HB2 . B . 45 . HN . . . B . 58 . HB# . . rr_2fyl 2 298 2 OR . 2 2 45 45 CYS H H . . . 2 2 58 58 CYS HB3 H . . . . . 4.50 1.8 6.0 . . . . . B . 45 CYS H . . B . 58 CYS HB3 . B . 45 . HN . . . B . 58 . HB# . . rr_2fyl 2 299 1 . . 2 2 46 46 PHE H H . . . 2 2 45 45 CYS HA H . . . . . 3.00 1.8 3.3 . . . . . B . 46 PHE H . . B . 45 CYS HA . B . 46 . HN . . . B . 45 . HA . . rr_2fyl 2 300 1 OR . 2 2 46 46 PHE H H . . . 2 2 45 45 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE H . . B . 45 CYS HB2 . B . 46 . HN . . . B . 45 . HB# . . rr_2fyl 2 300 2 OR . 2 2 45 45 CYS HB3 H . . . 2 2 46 46 PHE H H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 46 PHE H . B . 45 . HB# . . . B . 46 . HN . . rr_2fyl 2 301 1 OR . 2 2 45 45 CYS HB3 H . . . 2 2 46 46 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 46 PHE HB2 . B . 45 . HB# . . . B . 46 . HB# . . rr_2fyl 2 301 2 OR . 2 2 45 45 CYS HB2 H . . . 2 2 46 46 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB2 . . B . 46 PHE HB2 . B . 45 . HB# . . . B . 46 . HB# . . rr_2fyl 2 301 3 OR . 2 2 46 46 PHE HB3 H . . . 2 2 45 45 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB3 . . B . 45 CYS HB2 . B . 46 . HB# . . . B . 45 . HB# . . rr_2fyl 2 301 4 OR . 2 2 45 45 CYS HB3 H . . . 2 2 46 46 PHE HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 46 PHE HB3 . B . 45 . HB# . . . B . 46 . HB# . . rr_2fyl 2 302 1 OR . 2 2 45 45 CYS HB3 H . . . 2 2 47 47 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 47 PRO HD2 . B . 45 . HB# . . . B . 47 . HD# . . rr_2fyl 2 302 2 OR . 2 2 45 45 CYS HB2 H . . . 2 2 47 47 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB2 . . B . 47 PRO HD2 . B . 45 . HB# . . . B . 47 . HD# . . rr_2fyl 2 302 3 OR . 2 2 47 47 PRO HD3 H . . . 2 2 45 45 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 47 PRO HD3 . . B . 45 CYS HB2 . B . 47 . HD# . . . B . 45 . HB# . . rr_2fyl 2 302 4 OR . 2 2 45 45 CYS HB3 H . . . 2 2 47 47 PRO HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 47 PRO HD3 . B . 45 . HB# . . . B . 47 . HD# . . rr_2fyl 2 303 1 OR . 2 2 45 45 CYS HB2 H . . . 2 2 50 50 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB2 . . B . 50 GLN HB2 . B . 45 . HB# . . . B . 50 . HB# . . rr_2fyl 2 303 2 OR . 2 2 45 45 CYS HB3 H . . . 2 2 50 50 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 50 GLN HB2 . B . 45 . HB# . . . B . 50 . HB# . . rr_2fyl 2 303 3 OR . 2 2 50 50 GLN HB3 H . . . 2 2 45 45 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HB3 . . B . 45 CYS HB2 . B . 50 . HB# . . . B . 45 . HB# . . rr_2fyl 2 303 4 OR . 2 2 45 45 CYS HB3 H . . . 2 2 50 50 GLN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 50 GLN HB3 . B . 45 . HB# . . . B . 50 . HB# . . rr_2fyl 2 304 1 OR . 2 2 45 45 CYS HB3 H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 50 GLN HG2 . B . 45 . HB# . . . B . 50 . HG# . . rr_2fyl 2 304 2 OR . 2 2 45 45 CYS HB2 H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB2 . . B . 50 GLN HG2 . B . 45 . HB# . . . B . 50 . HG# . . rr_2fyl 2 304 3 OR . 2 2 50 50 GLN HG3 H . . . 2 2 45 45 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HG3 . . B . 45 CYS HB2 . B . 50 . HG# . . . B . 45 . HB# . . rr_2fyl 2 304 4 OR . 2 2 45 45 CYS HB3 H . . . 2 2 50 50 GLN HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 50 GLN HG3 . B . 45 . HB# . . . B . 50 . HG# . . rr_2fyl 2 305 1 OR . 2 2 50 50 GLN HE22 H . . . 2 2 45 45 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HE22 . . B . 45 CYS HB2 . B . 50 . HE22 . . . B . 45 . HB# . . rr_2fyl 2 305 2 OR . 2 2 45 45 CYS HB3 H . . . 2 2 50 50 GLN HE22 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 50 GLN HE22 . B . 45 . HB# . . . B . 50 . HE22 . . rr_2fyl 2 306 1 OR . 2 2 58 58 CYS H H . . . 2 2 45 45 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS H . . B . 45 CYS HB2 . B . 58 . HN . . . B . 45 . HB# . . rr_2fyl 2 306 2 OR . 2 2 45 45 CYS HB3 H . . . 2 2 58 58 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 58 CYS H . B . 45 . HB# . . . B . 58 . HN . . rr_2fyl 2 307 1 OR . 2 2 45 45 CYS HB2 H . . . 2 2 58 58 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB2 . . B . 58 CYS HB2 . B . 45 . HB# . . . B . 58 . HB# . . rr_2fyl 2 307 2 OR . 2 2 45 45 CYS HB3 H . . . 2 2 58 58 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 58 CYS HB2 . B . 45 . HB# . . . B . 58 . HB# . . rr_2fyl 2 307 3 OR . 2 2 58 58 CYS HB3 H . . . 2 2 45 45 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS HB3 . . B . 45 CYS HB2 . B . 58 . HB# . . . B . 45 . HB# . . rr_2fyl 2 307 4 OR . 2 2 45 45 CYS HB3 H . . . 2 2 58 58 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 45 CYS HB3 . . B . 58 CYS HB3 . B . 45 . HB# . . . B . 58 . HB# . . rr_2fyl 2 308 1 OR . 2 2 46 46 PHE H H . . . 2 2 47 47 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE H . . B . 47 PRO HD2 . B . 46 . HN . . . B . 47 . HD# . . rr_2fyl 2 308 2 OR . 2 2 46 46 PHE H H . . . 2 2 47 47 PRO HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE H . . B . 47 PRO HD3 . B . 46 . HN . . . B . 47 . HD# . . rr_2fyl 2 309 1 OR . 2 2 46 46 PHE H H . . . 2 2 50 50 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE H . . B . 50 GLN HB2 . B . 46 . HN . . . B . 50 . HB# . . rr_2fyl 2 309 2 OR . 2 2 46 46 PHE H H . . . 2 2 50 50 GLN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE H . . B . 50 GLN HB3 . B . 46 . HN . . . B . 50 . HB# . . rr_2fyl 2 310 1 OR . 2 2 46 46 PHE H H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE H . . B . 50 GLN HG2 . B . 46 . HN . . . B . 50 . HG# . . rr_2fyl 2 310 2 OR . 2 2 46 46 PHE H H . . . 2 2 50 50 GLN HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE H . . B . 50 GLN HG3 . B . 46 . HN . . . B . 50 . HG# . . rr_2fyl 2 311 1 OR . 2 2 46 46 PHE HB3 H . . . 2 2 47 47 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB3 . . B . 47 PRO HD2 . B . 46 . HB# . . . B . 47 . HD# . . rr_2fyl 2 311 2 OR . 2 2 46 46 PHE HB2 H . . . 2 2 47 47 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB2 . . B . 47 PRO HD2 . B . 46 . HB# . . . B . 47 . HD# . . rr_2fyl 2 311 3 OR . 2 2 47 47 PRO HD3 H . . . 2 2 46 46 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 47 PRO HD3 . . B . 46 PHE HB2 . B . 47 . HD# . . . B . 46 . HB# . . rr_2fyl 2 311 4 OR . 2 2 46 46 PHE HB3 H . . . 2 2 47 47 PRO HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB3 . . B . 47 PRO HD3 . B . 46 . HB# . . . B . 47 . HD# . . rr_2fyl 2 312 1 OR . 2 2 48 48 LEU H H . . . 2 2 46 46 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 48 LEU H . . B . 46 PHE HB2 . B . 48 . HN . . . B . 46 . HB# . . rr_2fyl 2 312 2 OR . 2 2 46 46 PHE HB3 H . . . 2 2 48 48 LEU H H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB3 . . B . 48 LEU H . B . 46 . HB# . . . B . 48 . HN . . rr_2fyl 2 313 1 OR . 2 2 49 49 THR H H . . . 2 2 46 46 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 49 THR H . . B . 46 PHE HB2 . B . 49 . HN . . . B . 46 . HB# . . rr_2fyl 2 313 2 OR . 2 2 46 46 PHE HB3 H . . . 2 2 49 49 THR H H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB3 . . B . 49 THR H . B . 46 . HB# . . . B . 49 . HN . . rr_2fyl 2 314 1 OR . 2 2 50 50 GLN H H . . . 2 2 46 46 PHE HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 50 GLN H . . B . 46 PHE HB2 . B . 50 . HN . . . B . 46 . HB# . . rr_2fyl 2 314 2 OR . 2 2 46 46 PHE HB3 H . . . 2 2 50 50 GLN H H . . . . . 4.50 1.8 6.0 . . . . . B . 46 PHE HB3 . . B . 50 GLN H . B . 46 . HB# . . . B . 50 . HN . . rr_2fyl 2 315 1 OR . 2 2 46 46 PHE HB2 H . . . 2 2 50 50 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB2 . . B . 50 GLN HB2 . B . 46 . HB# . . . B . 50 . HB# . . rr_2fyl 2 315 2 OR . 2 2 46 46 PHE HB3 H . . . 2 2 50 50 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB3 . . B . 50 GLN HB2 . B . 46 . HB# . . . B . 50 . HB# . . rr_2fyl 2 315 3 OR . 2 2 50 50 GLN HB3 H . . . 2 2 46 46 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HB3 . . B . 46 PHE HB2 . B . 50 . HB# . . . B . 46 . HB# . . rr_2fyl 2 315 4 OR . 2 2 46 46 PHE HB3 H . . . 2 2 50 50 GLN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB3 . . B . 50 GLN HB3 . B . 46 . HB# . . . B . 50 . HB# . . rr_2fyl 2 316 1 OR . 2 2 46 46 PHE HB2 H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB2 . . B . 50 GLN HG2 . B . 46 . HB# . . . B . 50 . HG# . . rr_2fyl 2 316 2 OR . 2 2 50 50 GLN HG3 H . . . 2 2 46 46 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HG3 . . B . 46 PHE HB2 . B . 50 . HG# . . . B . 46 . HB# . . rr_2fyl 2 316 3 OR . 2 2 46 46 PHE HB3 H . . . 2 2 50 50 GLN HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB3 . . B . 50 GLN HG3 . B . 46 . HB# . . . B . 50 . HG# . . rr_2fyl 2 316 4 OR . 2 2 46 46 PHE HB3 H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE HB3 . . B . 50 GLN HG2 . B . 46 . HB# . . . B . 50 . HG# . . rr_2fyl 2 317 1 OR . 2 2 46 46 PHE QD H . . . 2 2 47 47 PRO HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QD . . B . 47 PRO HD2 . B . 46 . HD# . . . B . 47 . HD# . . rr_2fyl 2 317 2 OR . 2 2 46 46 PHE QD H . . . 2 2 47 47 PRO HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QD . . B . 47 PRO HD3 . B . 46 . HD# . . . B . 47 . HD# . . rr_2fyl 2 318 1 . . 2 2 46 46 PHE QD H . . . 2 2 48 48 LEU H H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QD . . B . 48 LEU H . B . 46 . HD# . . . B . 48 . HN . . rr_2fyl 2 319 1 OR . 2 2 46 46 PHE QD H . . . 2 2 48 48 LEU HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QD . . B . 48 LEU HB2 . B . 46 . HD# . . . B . 48 . HB# . . rr_2fyl 2 319 2 OR . 2 2 46 46 PHE QD H . . . 2 2 48 48 LEU HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QD . . B . 48 LEU HB3 . B . 46 . HD# . . . B . 48 . HB# . . rr_2fyl 2 320 1 . . 2 2 46 46 PHE QD H . . . 2 2 48 48 LEU HG H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QD . . B . 48 LEU HG . B . 46 . HD# . . . B . 48 . HG . . rr_2fyl 2 321 1 OR . 2 2 46 46 PHE QD H . . . 2 2 48 48 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 46 PHE QD . . B . 48 LEU MD1 . B . 46 . HD# . . . B . 48 . HD* . . rr_2fyl 2 321 2 OR . 2 2 46 46 PHE QD H . . . 2 2 48 48 LEU MD2 H . . . . . 4.00 1.8 5.5 . . . . . B . 46 PHE QD . . B . 48 LEU MD2 . B . 46 . HD# . . . B . 48 . HD* . . rr_2fyl 2 322 1 . . 2 2 46 46 PHE QD H . . . 2 2 49 49 THR H H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QD . . B . 49 THR H . B . 46 . HD# . . . B . 49 . HN . . rr_2fyl 2 323 1 . . 2 2 46 46 PHE QD H . . . 2 2 49 49 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 46 PHE QD . . B . 49 THR MG . B . 46 . HD# . . . B . 49 . HG2# . . rr_2fyl 2 324 1 OR . 2 2 46 46 PHE QD H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QD . . B . 50 GLN HG2 . B . 46 . HD# . . . B . 50 . HG# . . rr_2fyl 2 324 2 OR . 2 2 46 46 PHE QD H . . . 2 2 50 50 GLN HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QD . . B . 50 GLN HG3 . B . 46 . HD# . . . B . 50 . HG# . . rr_2fyl 2 325 1 OR . 2 2 46 46 PHE QE H . . . 2 2 48 48 LEU HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QE . . B . 48 LEU HB2 . B . 46 . HE# . . . B . 48 . HB# . . rr_2fyl 2 325 2 OR . 2 2 46 46 PHE QE H . . . 2 2 48 48 LEU HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QE . . B . 48 LEU HB3 . B . 46 . HE# . . . B . 48 . HB# . . rr_2fyl 2 326 1 . . 2 2 46 46 PHE QE H . . . 2 2 48 48 LEU HG H . . . . . 4.00 1.8 5.0 . . . . . B . 46 PHE QE . . B . 48 LEU HG . B . 46 . HE# . . . B . 48 . HG . . rr_2fyl 2 327 1 OR . 2 2 46 46 PHE QE H . . . 2 2 48 48 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 46 PHE QE . . B . 48 LEU MD1 . B . 46 . HE# . . . B . 48 . HD* . . rr_2fyl 2 327 2 OR . 2 2 46 46 PHE QE H . . . 2 2 48 48 LEU MD2 H . . . . . 4.00 1.8 5.5 . . . . . B . 46 PHE QE . . B . 48 LEU MD2 . B . 46 . HE# . . . B . 48 . HD* . . rr_2fyl 2 328 1 . . 2 2 46 46 PHE QE H . . . 2 2 49 49 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 46 PHE QE . . B . 49 THR MG . B . 46 . HE# . . . B . 49 . HG2# . . rr_2fyl 2 329 1 . . 2 2 48 48 LEU H H . . . 2 2 47 47 PRO HA H . . . . . 3.00 1.8 3.3 . . . . . B . 48 LEU H . . B . 47 PRO HA . B . 48 . HN . . . B . 47 . HA . . rr_2fyl 2 330 1 OR . 2 2 47 47 PRO HA H . . . 2 2 48 48 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 47 PRO HA . . B . 48 LEU MD1 . B . 47 . HA . . . B . 48 . HD* . . rr_2fyl 2 330 2 OR . 2 2 48 48 LEU MD2 H . . . 2 2 47 47 PRO HA H . . . . . 4.00 1.8 5.5 . . . . . B . 48 LEU MD2 . . B . 47 PRO HA . B . 48 . HD* . . . B . 47 . HA . . rr_2fyl 2 331 1 OR . 2 2 47 47 PRO HB3 H . . . 2 2 48 48 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 47 PRO HB3 . . B . 48 LEU MD1 . B . 47 . HB# . . . B . 48 . HD* . . rr_2fyl 2 331 2 OR . 2 2 47 47 PRO HB2 H . . . 2 2 48 48 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 47 PRO HB2 . . B . 48 LEU MD1 . B . 47 . HB# . . . B . 48 . HD* . . rr_2fyl 2 331 3 OR . 2 2 48 48 LEU MD2 H . . . 2 2 47 47 PRO HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 48 LEU MD2 . . B . 47 PRO HB2 . B . 48 . HD* . . . B . 47 . HB# . . rr_2fyl 2 331 4 OR . 2 2 48 48 LEU MD2 H . . . 2 2 47 47 PRO HB3 H . . . . . 4.00 1.8 5.5 . . . . . B . 48 LEU MD2 . . B . 47 PRO HB3 . B . 48 . HD* . . . B . 47 . HB# . . rr_2fyl 2 332 1 . . 2 2 48 48 LEU H H . . . 2 2 48 48 LEU HG H . . . . . 4.00 1.8 5.0 . . . . . B . 48 LEU H . . B . 48 LEU HG . B . 48 . HN . . . B . 48 . HG . . rr_2fyl 2 333 1 OR . 2 2 48 48 LEU H H . . . 2 2 48 48 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 48 LEU H . . B . 48 LEU MD1 . B . 48 . HN . . . B . 48 . HD* . . rr_2fyl 2 333 2 OR . 2 2 48 48 LEU H H . . . 2 2 48 48 LEU MD2 H . . . . . 4.00 1.8 5.5 . . . . . B . 48 LEU H . . B . 48 LEU MD2 . B . 48 . HN . . . B . 48 . HD* . . rr_2fyl 2 334 1 . . 2 2 48 48 LEU H H . . . 2 2 49 49 THR H H . . . . . 4.00 1.8 5.0 . . . . . B . 48 LEU H . . B . 49 THR H . B . 48 . HN . . . B . 49 . HN . . rr_2fyl 2 335 1 . . 2 2 48 48 LEU H H . . . 2 2 49 49 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 48 LEU H . . B . 49 THR MG . B . 48 . HN . . . B . 49 . HG2# . . rr_2fyl 2 336 1 . . 2 2 48 48 LEU HG H . . . 2 2 48 48 LEU HA H . . . . . 3.00 1.8 3.3 . . . . . B . 48 LEU HG . . B . 48 LEU HA . B . 48 . HG . . . B . 48 . HA . . rr_2fyl 2 337 1 . . 2 2 49 49 THR MG H . . . 2 2 48 48 LEU HA H . . . . . 4.00 1.8 5.5 . . . . . B . 49 THR MG . . B . 48 LEU HA . B . 49 . HG2# . . . B . 48 . HA . . rr_2fyl 2 338 1 OR . 2 2 49 49 THR H H . . . 2 2 48 48 LEU HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 49 THR H . . B . 48 LEU HB2 . B . 49 . HN . . . B . 48 . HB# . . rr_2fyl 2 338 2 OR . 2 2 49 49 THR H H . . . 2 2 48 48 LEU HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 49 THR H . . B . 48 LEU HB3 . B . 49 . HN . . . B . 48 . HB# . . rr_2fyl 2 339 1 OR . 2 2 49 49 THR MG H . . . 2 2 48 48 LEU HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 49 THR MG . . B . 48 LEU HB2 . B . 49 . HG2# . . . B . 48 . HB# . . rr_2fyl 2 339 2 OR . 2 2 48 48 LEU HB3 H . . . 2 2 49 49 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 48 LEU HB3 . . B . 49 THR MG . B . 48 . HB# . . . B . 49 . HG2# . . rr_2fyl 2 340 1 OR . 2 2 49 49 THR H H . . . 2 2 48 48 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 49 THR H . . B . 48 LEU MD1 . B . 49 . HN . . . B . 48 . HD* . . rr_2fyl 2 340 2 OR . 2 2 49 49 THR H H . . . 2 2 48 48 LEU MD2 H . . . . . 4.00 1.8 5.5 . . . . . B . 49 THR H . . B . 48 LEU MD2 . B . 49 . HN . . . B . 48 . HD* . . rr_2fyl 2 341 1 OR . 2 2 49 49 THR HA H . . . 2 2 48 48 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 49 THR HA . . B . 48 LEU MD1 . B . 49 . HA . . . B . 48 . HD* . . rr_2fyl 2 341 2 OR . 2 2 48 48 LEU MD2 H . . . 2 2 49 49 THR HA H . . . . . 4.00 1.8 5.5 . . . . . B . 48 LEU MD2 . . B . 49 THR HA . B . 48 . HD* . . . B . 49 . HA . . rr_2fyl 2 342 1 OR . 2 2 49 49 THR MG H . . . 2 2 48 48 LEU MD1 H . . . . . 4.00 1.8 5.5 . . . . . B . 49 THR MG . . B . 48 LEU MD1 . B . 49 . HG2# . . . B . 48 . HD* . . rr_2fyl 2 342 2 OR . 2 2 48 48 LEU MD2 H . . . 2 2 49 49 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 48 LEU MD2 . . B . 49 THR MG . B . 48 . HD* . . . B . 49 . HG2# . . rr_2fyl 2 343 1 . . 2 2 49 49 THR H H . . . 2 2 50 50 GLN H H . . . . . 3.00 1.8 3.3 . . . . . B . 49 THR H . . B . 50 GLN H . B . 49 . HN . . . B . 50 . HN . . rr_2fyl 2 344 1 OR . 2 2 49 49 THR H H . . . 2 2 50 50 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 49 THR H . . B . 50 GLN HB2 . B . 49 . HN . . . B . 50 . HB# . . rr_2fyl 2 344 2 OR . 2 2 50 50 GLN HB3 H . . . 2 2 49 49 THR H H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HB3 . . B . 49 THR H . B . 50 . HB# . . . B . 49 . HN . . rr_2fyl 2 345 1 OR . 2 2 49 49 THR H H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 49 THR H . . B . 50 GLN HG2 . B . 49 . HN . . . B . 50 . HG# . . rr_2fyl 2 345 2 OR . 2 2 50 50 GLN HG3 H . . . 2 2 49 49 THR H H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HG3 . . B . 49 THR H . B . 50 . HG# . . . B . 49 . HN . . rr_2fyl 2 346 1 . . 2 2 50 50 GLN H H . . . 2 2 49 49 THR HA H . . . . . 3.00 1.8 3.3 . . . . . B . 50 GLN H . . B . 49 THR HA . B . 50 . HN . . . B . 49 . HA . . rr_2fyl 2 347 1 . . 2 2 49 49 THR HA H . . . 2 2 61 61 ILE HB H . . . . . 4.00 1.8 5.0 . . . . . B . 49 THR HA . . B . 61 ILE HB . B . 49 . HA . . . B . 61 . HB . . rr_2fyl 2 348 1 . . 2 2 49 49 THR HA H . . . 2 2 61 61 ILE MG H . . . . . 3.00 1.8 3.8 . . . . . B . 49 THR HA . . B . 61 ILE MG . B . 49 . HA . . . B . 61 . HG2# . . rr_2fyl 2 349 1 . . 2 2 49 49 THR HA H . . . 2 2 61 61 ILE MD H . . . . . 4.00 1.8 5.4 . . . . . B . 49 THR HA . . B . 61 ILE MD . B . 49 . HA . . . B . 61 . HD# . . rr_2fyl 2 350 1 . . 2 2 61 61 ILE MG H . . . 2 2 49 49 THR HB H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 49 THR HB . B . 61 . HG2# . . . B . 49 . HB . . rr_2fyl 2 351 1 . . 2 2 50 50 GLN H H . . . 2 2 49 49 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 50 GLN H . . B . 49 THR MG . B . 50 . HN . . . B . 49 . HG2# . . rr_2fyl 2 352 1 . . 2 2 49 49 THR MG H . . . 2 2 61 61 ILE HB H . . . . . 4.00 1.8 5.5 . . . . . B . 49 THR MG . . B . 61 ILE HB . B . 49 . HG2# . . . B . 61 . HB . . rr_2fyl 2 353 1 . . 2 2 49 49 THR MG H . . . 2 2 61 61 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 49 THR MG . . B . 61 ILE MG . B . 49 . HG2# . . . B . 61 . HG2# . . rr_2fyl 2 354 1 OR . 2 2 50 50 GLN H H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN H . . B . 50 GLN HG2 . B . 50 . HN . . . B . 50 . HG# . . rr_2fyl 2 354 2 OR . 2 2 50 50 GLN HG3 H . . . 2 2 50 50 GLN H H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HG3 . . B . 50 GLN H . B . 50 . HG# . . . B . 50 . HN . . rr_2fyl 2 355 1 . . 2 2 50 50 GLN H H . . . 2 2 51 51 PHE H H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN H . . B . 51 PHE H . B . 50 . HN . . . B . 51 . HN . . rr_2fyl 2 356 1 . . 2 2 50 50 GLN H H . . . 2 2 61 61 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN H . . B . 61 ILE H . B . 50 . HN . . . B . 61 . HN . . rr_2fyl 2 357 1 . . 2 2 50 50 GLN H H . . . 2 2 61 61 ILE HA H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN H . . B . 61 ILE HA . B . 50 . HN . . . B . 61 . HA . . rr_2fyl 2 358 1 . . 2 2 50 50 GLN H H . . . 2 2 61 61 ILE HB H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN H . . B . 61 ILE HB . B . 50 . HN . . . B . 61 . HB . . rr_2fyl 2 359 1 . . 2 2 50 50 GLN H H . . . 2 2 61 61 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 50 GLN H . . B . 61 ILE MG . B . 50 . HN . . . B . 61 . HG2# . . rr_2fyl 2 360 1 . . 2 2 50 50 GLN H H . . . 2 2 61 61 ILE MD H . . . . . 4.00 1.8 5.4 . . . . . B . 50 GLN H . . B . 61 ILE MD . B . 50 . HN . . . B . 61 . HD# . . rr_2fyl 2 361 1 . . 2 2 61 61 ILE H H . . . 2 2 50 50 GLN HA H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE H . . B . 50 GLN HA . B . 61 . HN . . . B . 50 . HA . . rr_2fyl 2 362 1 . . 2 2 61 61 ILE HA H . . . 2 2 50 50 GLN HA H . . . . . 4.50 1.8 6.0 . . . . . B . 61 ILE HA . . B . 50 GLN HA . B . 61 . HA . . . B . 50 . HA . . rr_2fyl 2 363 1 . . 2 2 61 61 ILE HB H . . . 2 2 50 50 GLN HA H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE HB . . B . 50 GLN HA . B . 61 . HB . . . B . 50 . HA . . rr_2fyl 2 364 1 . . 2 2 61 61 ILE MG H . . . 2 2 50 50 GLN HA H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 50 GLN HA . B . 61 . HG2# . . . B . 50 . HA . . rr_2fyl 2 365 1 OR . 2 2 50 50 GLN HA H . . . 2 2 61 61 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HA . . B . 61 ILE HG12 . B . 50 . HA . . . B . 61 . HG1# . . rr_2fyl 2 365 2 OR . 2 2 50 50 GLN HA H . . . 2 2 61 61 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HA . . B . 61 ILE HG13 . B . 50 . HA . . . B . 61 . HG1# . . rr_2fyl 2 366 1 . . 2 2 61 61 ILE MD H . . . 2 2 50 50 GLN HA H . . . . . 4.50 1.8 6.0 . . . . . B . 61 ILE MD . . B . 50 GLN HA . B . 61 . HD# . . . B . 50 . HA . . rr_2fyl 2 367 1 OR . 2 2 59 59 ILE H H . . . 2 2 50 50 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE H . . B . 50 GLN HB2 . B . 59 . HN . . . B . 50 . HB# . . rr_2fyl 2 367 2 OR . 2 2 50 50 GLN HB3 H . . . 2 2 59 59 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HB3 . . B . 59 ILE H . B . 50 . HB# . . . B . 59 . HN . . rr_2fyl 2 368 1 OR . 2 2 61 61 ILE H H . . . 2 2 50 50 GLN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE H . . B . 50 GLN HB2 . B . 61 . HN . . . B . 50 . HB# . . rr_2fyl 2 368 2 OR . 2 2 50 50 GLN HB3 H . . . 2 2 61 61 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HB3 . . B . 61 ILE H . B . 50 . HB# . . . B . 61 . HN . . rr_2fyl 2 369 1 OR . 2 2 51 51 PHE H H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE H . . B . 50 GLN HG2 . B . 51 . HN . . . B . 50 . HG# . . rr_2fyl 2 369 2 OR . 2 2 50 50 GLN HG3 H . . . 2 2 51 51 PHE H H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HG3 . . B . 51 PHE H . B . 50 . HG# . . . B . 51 . HN . . rr_2fyl 2 370 1 OR . 2 2 61 61 ILE H H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE H . . B . 50 GLN HG2 . B . 61 . HN . . . B . 50 . HG# . . rr_2fyl 2 370 2 OR . 2 2 50 50 GLN HG3 H . . . 2 2 61 61 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HG3 . . B . 61 ILE H . B . 50 . HG# . . . B . 61 . HN . . rr_2fyl 2 371 1 OR . 2 2 61 61 ILE MG H . . . 2 2 50 50 GLN HG2 H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 50 GLN HG2 . B . 61 . HG2# . . . B . 50 . HG# . . rr_2fyl 2 371 2 OR . 2 2 50 50 GLN HG3 H . . . 2 2 61 61 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 50 GLN HG3 . . B . 61 ILE MG . B . 50 . HG# . . . B . 61 . HG2# . . rr_2fyl 2 372 1 OR . 2 2 50 50 GLN HE21 H . . . 2 2 58 58 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HE21 . . B . 58 CYS HB2 . B . 50 . HE21 . . . B . 58 . HB# . . rr_2fyl 2 372 2 OR . 2 2 58 58 CYS HB3 H . . . 2 2 50 50 GLN HE21 H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS HB3 . . B . 50 GLN HE21 . B . 58 . HB# . . . B . 50 . HE21 . . rr_2fyl 2 373 1 OR . 2 2 50 50 GLN HE22 H . . . 2 2 58 58 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 50 GLN HE22 . . B . 58 CYS HB2 . B . 50 . HE22 . . . B . 58 . HB# . . rr_2fyl 2 373 2 OR . 2 2 58 58 CYS HB3 H . . . 2 2 50 50 GLN HE22 H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS HB3 . . B . 50 GLN HE22 . B . 58 . HB# . . . B . 50 . HE22 . . rr_2fyl 2 374 1 . . 2 2 51 51 PHE H H . . . 2 2 52 52 THR HA H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE H . . B . 52 THR HA . B . 51 . HN . . . B . 52 . HA . . rr_2fyl 2 375 1 . . 2 2 51 51 PHE H H . . . 2 2 59 59 ILE H H . . . . . 4.50 1.8 6.0 . . . . . B . 51 PHE H . . B . 59 ILE H . B . 51 . HN . . . B . 59 . HN . . rr_2fyl 2 376 1 . . 2 2 51 51 PHE H H . . . 2 2 59 59 ILE HA H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE H . . B . 59 ILE HA . B . 51 . HN . . . B . 59 . HA . . rr_2fyl 2 377 1 . . 2 2 51 51 PHE H H . . . 2 2 61 61 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE H . . B . 61 ILE H . B . 51 . HN . . . B . 61 . HN . . rr_2fyl 2 378 1 . . 2 2 51 51 PHE H H . . . 2 2 61 61 ILE HA H . . . . . 4.50 1.8 6.0 . . . . . B . 51 PHE H . . B . 61 ILE HA . B . 51 . HN . . . B . 61 . HA . . rr_2fyl 2 379 1 . . 2 2 61 61 ILE HB H . . . 2 2 51 51 PHE H H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE HB . . B . 51 PHE H . B . 61 . HB . . . B . 51 . HN . . rr_2fyl 2 380 1 . . 2 2 61 61 ILE MG H . . . 2 2 51 51 PHE H H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 51 PHE H . B . 61 . HG2# . . . B . 51 . HN . . rr_2fyl 2 381 1 OR . 2 2 51 51 PHE H H . . . 2 2 61 61 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE H . . B . 61 ILE HG12 . B . 51 . HN . . . B . 61 . HG1# . . rr_2fyl 2 381 2 OR . 2 2 51 51 PHE H H . . . 2 2 61 61 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE H . . B . 61 ILE HG13 . B . 51 . HN . . . B . 61 . HG1# . . rr_2fyl 2 382 1 . . 2 2 61 61 ILE MD H . . . 2 2 51 51 PHE H H . . . . . 4.00 1.8 5.4 . . . . . B . 61 ILE MD . . B . 51 PHE H . B . 61 . HD# . . . B . 51 . HN . . rr_2fyl 2 383 1 . . 2 2 51 51 PHE HA H . . . 2 2 52 52 THR H H . . . . . 2.40 1.8 2.7 . . . . . B . 51 PHE HA . . B . 52 THR H . B . 51 . HA . . . B . 52 . HN . . rr_2fyl 2 384 1 . . 2 2 59 59 ILE H H . . . 2 2 51 51 PHE HA H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE H . . B . 51 PHE HA . B . 59 . HN . . . B . 51 . HA . . rr_2fyl 2 385 1 OR . 2 2 53 53 CYS H H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 51 PHE HB2 . B . 53 . HN . . . B . 51 . HB# . . rr_2fyl 2 385 2 OR . 2 2 51 51 PHE HB3 H . . . 2 2 53 53 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE HB3 . . B . 53 CYS H . B . 51 . HB# . . . B . 53 . HN . . rr_2fyl 2 386 1 OR . 2 2 59 59 ILE H H . . . 2 2 51 51 PHE HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 59 ILE H . . B . 51 PHE HB2 . B . 59 . HN . . . B . 51 . HB# . . rr_2fyl 2 386 2 OR . 2 2 59 59 ILE H H . . . 2 2 51 51 PHE HB3 H . . . . . 4.50 1.8 6.0 . . . . . B . 59 ILE H . . B . 51 PHE HB3 . B . 59 . HN . . . B . 51 . HB# . . rr_2fyl 2 387 1 OR . 2 2 59 59 ILE HB H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HB . . B . 51 PHE HB2 . B . 59 . HB . . . B . 51 . HB# . . rr_2fyl 2 387 2 OR . 2 2 51 51 PHE HB3 H . . . 2 2 59 59 ILE HB H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE HB3 . . B . 59 ILE HB . B . 51 . HB# . . . B . 59 . HB . . rr_2fyl 2 388 1 OR . 2 2 59 59 ILE MG H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 51 PHE HB2 . B . 59 . HG2# . . . B . 51 . HB# . . rr_2fyl 2 388 2 OR . 2 2 51 51 PHE HB3 H . . . 2 2 59 59 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 51 PHE HB3 . . B . 59 ILE MG . B . 51 . HB# . . . B . 59 . HG2# . . rr_2fyl 2 389 1 OR . 2 2 51 51 PHE HB3 H . . . 2 2 59 59 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE HB3 . . B . 59 ILE HG12 . B . 51 . HB# . . . B . 59 . HG1# . . rr_2fyl 2 389 2 OR . 2 2 51 51 PHE HB2 H . . . 2 2 59 59 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE HB2 . . B . 59 ILE HG12 . B . 51 . HB# . . . B . 59 . HG1# . . rr_2fyl 2 389 3 OR . 2 2 59 59 ILE HG13 H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HG13 . . B . 51 PHE HB2 . B . 59 . HG1# . . . B . 51 . HB# . . rr_2fyl 2 389 4 OR . 2 2 51 51 PHE HB3 H . . . 2 2 59 59 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE HB3 . . B . 59 ILE HG13 . B . 51 . HB# . . . B . 59 . HG1# . . rr_2fyl 2 390 1 OR . 2 2 59 59 ILE MD H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 51 PHE HB2 . B . 59 . HD# . . . B . 51 . HB# . . rr_2fyl 2 390 2 OR . 2 2 51 51 PHE HB3 H . . . 2 2 59 59 ILE MD H . . . . . 4.00 1.8 5.4 . . . . . B . 51 PHE HB3 . . B . 59 ILE MD . B . 51 . HB# . . . B . 59 . HD# . . rr_2fyl 2 391 1 OR . 2 2 60 60 ASN H H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 60 ASN H . . B . 51 PHE HB2 . B . 60 . HN . . . B . 51 . HB# . . rr_2fyl 2 391 2 OR . 2 2 51 51 PHE HB3 H . . . 2 2 60 60 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE HB3 . . B . 60 ASN H . B . 51 . HB# . . . B . 60 . HN . . rr_2fyl 2 392 1 OR . 2 2 61 61 ILE H H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE H . . B . 51 PHE HB2 . B . 61 . HN . . . B . 51 . HB# . . rr_2fyl 2 392 2 OR . 2 2 61 61 ILE H H . . . 2 2 51 51 PHE HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE H . . B . 51 PHE HB3 . B . 61 . HN . . . B . 51 . HB# . . rr_2fyl 2 393 1 OR . 2 2 61 61 ILE HA H . . . 2 2 51 51 PHE HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 61 ILE HA . . B . 51 PHE HB2 . B . 61 . HA . . . B . 51 . HB# . . rr_2fyl 2 393 2 OR . 2 2 61 61 ILE HA H . . . 2 2 51 51 PHE HB3 H . . . . . 4.50 1.8 6.0 . . . . . B . 61 ILE HA . . B . 51 PHE HB3 . B . 61 . HA . . . B . 51 . HB# . . rr_2fyl 2 394 1 OR . 2 2 61 61 ILE HB H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE HB . . B . 51 PHE HB2 . B . 61 . HB . . . B . 51 . HB# . . rr_2fyl 2 394 2 OR . 2 2 61 61 ILE HB H . . . 2 2 51 51 PHE HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE HB . . B . 51 PHE HB3 . B . 61 . HB . . . B . 51 . HB# . . rr_2fyl 2 395 1 OR . 2 2 61 61 ILE MG H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 51 PHE HB2 . B . 61 . HG2# . . . B . 51 . HB# . . rr_2fyl 2 395 2 OR . 2 2 61 61 ILE MG H . . . 2 2 51 51 PHE HB3 H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 51 PHE HB3 . B . 61 . HG2# . . . B . 51 . HB# . . rr_2fyl 2 396 1 OR . 2 2 61 61 ILE MD H . . . 2 2 51 51 PHE HB2 H . . . . . 4.00 1.8 5.4 . . . . . B . 61 ILE MD . . B . 51 PHE HB2 . B . 61 . HD# . . . B . 51 . HB# . . rr_2fyl 2 396 2 OR . 2 2 61 61 ILE MD H . . . 2 2 51 51 PHE HB3 H . . . . . 4.00 1.8 5.4 . . . . . B . 61 ILE MD . . B . 51 PHE HB3 . B . 61 . HD# . . . B . 51 . HB# . . rr_2fyl 2 397 1 OR . 2 2 64 64 ARG H H . . . 2 2 51 51 PHE HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 64 ARG H . . B . 51 PHE HB2 . B . 64 . HN . . . B . 51 . HB# . . rr_2fyl 2 397 2 OR . 2 2 51 51 PHE HB3 H . . . 2 2 64 64 ARG H H . . . . . 4.50 1.8 6.0 . . . . . B . 51 PHE HB3 . . B . 64 ARG H . B . 51 . HB# . . . B . 64 . HN . . rr_2fyl 2 398 1 . . 2 2 52 52 THR H H . . . 2 2 51 51 PHE QD H . . . . . 4.00 1.8 5.0 . . . . . B . 52 THR H . . B . 51 PHE QD . B . 52 . HN . . . B . 51 . HD# . . rr_2fyl 2 399 1 . . 2 2 53 53 CYS H H . . . 2 2 51 51 PHE QD H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 51 PHE QD . B . 53 . HN . . . B . 51 . HD# . . rr_2fyl 2 400 1 . . 2 2 59 59 ILE H H . . . 2 2 51 51 PHE QD H . . . . . 4.50 1.8 6.0 . . . . . B . 59 ILE H . . B . 51 PHE QD . B . 59 . HN . . . B . 51 . HD# . . rr_2fyl 2 401 1 . . 2 2 59 59 ILE MG H . . . 2 2 51 51 PHE QD H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 51 PHE QD . B . 59 . HG2# . . . B . 51 . HD# . . rr_2fyl 2 402 1 OR . 2 2 51 51 PHE QD H . . . 2 2 59 59 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QD . . B . 59 ILE HG12 . B . 51 . HD# . . . B . 59 . HG1# . . rr_2fyl 2 402 2 OR . 2 2 59 59 ILE HG13 H . . . 2 2 51 51 PHE QD H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HG13 . . B . 51 PHE QD . B . 59 . HG1# . . . B . 51 . HD# . . rr_2fyl 2 403 1 . . 2 2 59 59 ILE MD H . . . 2 2 51 51 PHE QD H . . . . . 3.00 1.8 3.7 . . . . . B . 59 ILE MD . . B . 51 PHE QD . B . 59 . HD# . . . B . 51 . HD# . . rr_2fyl 2 404 1 . . 2 2 61 61 ILE HA H . . . 2 2 51 51 PHE QD H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE HA . . B . 51 PHE QD . B . 61 . HA . . . B . 51 . HD# . . rr_2fyl 2 405 1 . . 2 2 61 61 ILE MD H . . . 2 2 51 51 PHE QD H . . . . . 4.00 1.8 5.4 . . . . . B . 61 ILE MD . . B . 51 PHE QD . B . 61 . HD# . . . B . 51 . HD# . . rr_2fyl 2 406 1 OR . 2 2 51 51 PHE QD H . . . 2 2 64 64 ARG HD2 H . . . . . 4.50 1.8 6.0 . . . . . B . 51 PHE QD . . B . 64 ARG HD2 . B . 51 . HD# . . . B . 64 . HD# . . rr_2fyl 2 406 2 OR . 2 2 51 51 PHE QD H . . . 2 2 64 64 ARG HD3 H . . . . . 4.50 1.8 6.0 . . . . . B . 51 PHE QD . . B . 64 ARG HD3 . B . 51 . HD# . . . B . 64 . HD# . . rr_2fyl 2 407 1 . . 2 2 51 51 PHE QD H . . . 2 2 76 76 ASP HA H . . . . . 4.50 1.8 6.0 . . . . . B . 51 PHE QD . . B . 76 ASP HA . B . 51 . HD# . . . B . 76 . HA . . rr_2fyl 2 408 1 OR . 2 2 51 51 PHE QD H . . . 2 2 76 76 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QD . . B . 76 ASP HB2 . B . 51 . HD# . . . B . 76 . HB# . . rr_2fyl 2 408 2 OR . 2 2 51 51 PHE QD H . . . 2 2 76 76 ASP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QD . . B . 76 ASP HB3 . B . 51 . HD# . . . B . 76 . HB# . . rr_2fyl 2 409 1 . . 2 2 53 53 CYS H H . . . 2 2 51 51 PHE QE H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 51 PHE QE . B . 53 . HN . . . B . 51 . HE# . . rr_2fyl 2 410 1 . . 2 2 51 51 PHE QE H . . . 2 2 53 53 CYS HA H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QE . . B . 53 CYS HA . B . 51 . HE# . . . B . 53 . HA . . rr_2fyl 2 411 1 OR . 2 2 51 51 PHE QE H . . . 2 2 53 53 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QE . . B . 53 CYS HB2 . B . 51 . HE# . . . B . 53 . HB# . . rr_2fyl 2 411 2 OR . 2 2 51 51 PHE QE H . . . 2 2 53 53 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QE . . B . 53 CYS HB3 . B . 51 . HE# . . . B . 53 . HB# . . rr_2fyl 2 412 1 . . 2 2 51 51 PHE QE H . . . 2 2 54 54 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QE . . B . 54 ASN H . B . 51 . HE# . . . B . 54 . HN . . rr_2fyl 2 413 1 . . 2 2 59 59 ILE MG H . . . 2 2 51 51 PHE QE H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 51 PHE QE . B . 59 . HG2# . . . B . 51 . HE# . . rr_2fyl 2 414 1 OR . 2 2 51 51 PHE QE H . . . 2 2 59 59 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QE . . B . 59 ILE HG12 . B . 51 . HE# . . . B . 59 . HG1# . . rr_2fyl 2 414 2 OR . 2 2 59 59 ILE HG13 H . . . 2 2 51 51 PHE QE H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HG13 . . B . 51 PHE QE . B . 59 . HG1# . . . B . 51 . HE# . . rr_2fyl 2 415 1 . . 2 2 59 59 ILE MD H . . . 2 2 51 51 PHE QE H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 51 PHE QE . B . 59 . HD# . . . B . 51 . HE# . . rr_2fyl 2 416 1 OR . 2 2 51 51 PHE QE H . . . 2 2 64 64 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QE . . B . 64 ARG HD2 . B . 51 . HE# . . . B . 64 . HD# . . rr_2fyl 2 416 2 OR . 2 2 64 64 ARG HD3 H . . . 2 2 51 51 PHE QE H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG HD3 . . B . 51 PHE QE . B . 64 . HD# . . . B . 51 . HE# . . rr_2fyl 2 417 1 . . 2 2 51 51 PHE QE H . . . 2 2 76 76 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QE . . B . 76 ASP H . B . 51 . HE# . . . B . 76 . HN . . rr_2fyl 2 418 1 . . 2 2 76 76 ASP HA H . . . 2 2 51 51 PHE QE H . . . . . 4.00 1.8 5.0 . . . . . B . 76 ASP HA . . B . 51 PHE QE . B . 76 . HA . . . B . 51 . HE# . . rr_2fyl 2 419 1 OR . 2 2 51 51 PHE QE H . . . 2 2 76 76 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE QE . . B . 76 ASP HB2 . B . 51 . HE# . . . B . 76 . HB# . . rr_2fyl 2 419 2 OR . 2 2 76 76 ASP HB3 H . . . 2 2 51 51 PHE QE H . . . . . 4.00 1.8 5.0 . . . . . B . 76 ASP HB3 . . B . 51 PHE QE . B . 76 . HB# . . . B . 51 . HE# . . rr_2fyl 2 420 1 . . 2 2 53 53 CYS HA H . . . 2 2 51 51 PHE HZ H . . . . . 4.50 1.8 6.0 . . . . . B . 53 CYS HA . . B . 51 PHE HZ . B . 53 . HA . . . B . 51 . HZ . . rr_2fyl 2 421 1 . . 2 2 76 76 ASP HA H . . . 2 2 51 51 PHE HZ H . . . . . 4.50 1.8 6.0 . . . . . B . 76 ASP HA . . B . 51 PHE HZ . B . 76 . HA . . . B . 51 . HZ . . rr_2fyl 2 422 1 OR . 2 2 51 51 PHE HZ H . . . 2 2 76 76 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 51 PHE HZ . . B . 76 ASP HB2 . B . 51 . HZ . . . B . 76 . HB# . . rr_2fyl 2 422 2 OR . 2 2 76 76 ASP HB3 H . . . 2 2 51 51 PHE HZ H . . . . . 4.00 1.8 5.0 . . . . . B . 76 ASP HB3 . . B . 51 PHE HZ . B . 76 . HB# . . . B . 51 . HZ . . rr_2fyl 2 423 1 . . 2 2 52 52 THR H H . . . 2 2 52 52 THR HB H . . . . . 3.00 1.8 3.3 . . . . . B . 52 THR H . . B . 52 THR HB . B . 52 . HN . . . B . 52 . HB . . rr_2fyl 2 424 1 . . 2 2 52 52 THR H H . . . 2 2 52 52 THR MG H . . . . . 3.00 1.8 3.8 . . . . . B . 52 THR H . . B . 52 THR MG . B . 52 . HN . . . B . 52 . HG2# . . rr_2fyl 2 425 1 . . 2 2 52 52 THR H H . . . 2 2 53 53 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 52 THR H . . B . 53 CYS H . B . 52 . HN . . . B . 53 . HN . . rr_2fyl 2 426 1 . . 2 2 52 52 THR H H . . . 2 2 58 58 CYS HA H . . . . . 4.00 1.8 5.0 . . . . . B . 52 THR H . . B . 58 CYS HA . B . 52 . HN . . . B . 58 . HA . . rr_2fyl 2 427 1 OR . 2 2 52 52 THR H H . . . 2 2 59 59 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 52 THR H . . B . 59 ILE HG12 . B . 52 . HN . . . B . 59 . HG1# . . rr_2fyl 2 427 2 OR . 2 2 52 52 THR H H . . . 2 2 59 59 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 52 THR H . . B . 59 ILE HG13 . B . 52 . HN . . . B . 59 . HG1# . . rr_2fyl 2 428 1 . . 2 2 52 52 THR HA H . . . 2 2 53 53 CYS H H . . . . . 3.00 1.8 3.3 . . . . . B . 52 THR HA . . B . 53 CYS H . B . 52 . HA . . . B . 53 . HN . . rr_2fyl 2 429 1 OR . 2 2 52 52 THR HA H . . . 2 2 53 53 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 52 THR HA . . B . 53 CYS HB2 . B . 52 . HA . . . B . 53 . HB# . . rr_2fyl 2 429 2 OR . 2 2 52 52 THR HA H . . . 2 2 53 53 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 52 THR HA . . B . 53 CYS HB3 . B . 52 . HA . . . B . 53 . HB# . . rr_2fyl 2 430 1 . . 2 2 53 53 CYS H H . . . 2 2 52 52 THR HB H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 52 THR HB . B . 53 . HN . . . B . 52 . HB . . rr_2fyl 2 431 1 . . 2 2 59 59 ILE H H . . . 2 2 52 52 THR HB H . . . . . 4.50 1.8 6.0 . . . . . B . 59 ILE H . . B . 52 THR HB . B . 59 . HN . . . B . 52 . HB . . rr_2fyl 2 432 1 . . 2 2 53 53 CYS H H . . . 2 2 52 52 THR MG H . . . . . 4.00 1.8 5.5 . . . . . B . 53 CYS H . . B . 52 THR MG . B . 53 . HN . . . B . 52 . HG2# . . rr_2fyl 2 433 1 . . 2 2 52 52 THR MG H . . . 2 2 56 56 GLY H H . . . . . 4.00 1.8 5.5 . . . . . B . 52 THR MG . . B . 56 GLY H . B . 52 . HG2# . . . B . 56 . HN . . rr_2fyl 2 434 1 OR . 2 2 52 52 THR MG H . . . 2 2 56 56 GLY HA2 H . . . . . 4.50 1.8 6.0 . . . . . B . 52 THR MG . . B . 56 GLY HA2 . B . 52 . HG2# . . . B . 56 . HA# . . rr_2fyl 2 434 2 OR . 2 2 52 52 THR MG H . . . 2 2 56 56 GLY HA3 H . . . . . 4.50 1.8 6.0 . . . . . B . 52 THR MG . . B . 56 GLY HA3 . B . 52 . HG2# . . . B . 56 . HA# . . rr_2fyl 2 435 1 . . 2 2 52 52 THR MG H . . . 2 2 57 57 ARG H H . . . . . 4.00 1.8 5.5 . . . . . B . 52 THR MG . . B . 57 ARG H . B . 52 . HG2# . . . B . 57 . HN . . rr_2fyl 2 436 1 . . 2 2 52 52 THR MG H . . . 2 2 58 58 CYS HA H . . . . . 4.00 1.8 5.5 . . . . . B . 52 THR MG . . B . 58 CYS HA . B . 52 . HG2# . . . B . 58 . HA . . rr_2fyl 2 437 1 . . 2 2 53 53 CYS H H . . . 2 2 54 54 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 54 ASN H . B . 53 . HN . . . B . 54 . HN . . rr_2fyl 2 438 1 . . 2 2 53 53 CYS H H . . . 2 2 57 57 ARG H H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 57 ARG H . B . 53 . HN . . . B . 57 . HN . . rr_2fyl 2 439 1 OR . 2 2 53 53 CYS H H . . . 2 2 57 57 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 57 ARG HB2 . B . 53 . HN . . . B . 57 . HB# . . rr_2fyl 2 439 2 OR . 2 2 53 53 CYS H H . . . 2 2 57 57 ARG HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 57 ARG HB3 . B . 53 . HN . . . B . 57 . HB# . . rr_2fyl 2 440 1 OR . 2 2 53 53 CYS H H . . . 2 2 57 57 ARG HG2 H . . . . . 4.50 1.8 6.0 . . . . . B . 53 CYS H . . B . 57 ARG HG2 . B . 53 . HN . . . B . 57 . HG# . . rr_2fyl 2 440 2 OR . 2 2 53 53 CYS H H . . . 2 2 57 57 ARG HG3 H . . . . . 4.50 1.8 6.0 . . . . . B . 53 CYS H . . B . 57 ARG HG3 . B . 53 . HN . . . B . 57 . HG# . . rr_2fyl 2 441 1 . . 2 2 53 53 CYS H H . . . 2 2 58 58 CYS HA H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 58 CYS HA . B . 53 . HN . . . B . 58 . HA . . rr_2fyl 2 442 1 . . 2 2 59 59 ILE HA H . . . 2 2 53 53 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HA . . B . 53 CYS H . B . 59 . HA . . . B . 53 . HN . . rr_2fyl 2 443 1 OR . 2 2 53 53 CYS H H . . . 2 2 59 59 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 59 ILE HG12 . B . 53 . HN . . . B . 59 . HG1# . . rr_2fyl 2 443 2 OR . 2 2 53 53 CYS H H . . . 2 2 59 59 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS H . . B . 59 ILE HG13 . B . 53 . HN . . . B . 59 . HG1# . . rr_2fyl 2 444 1 . . 2 2 53 53 CYS HA H . . . 2 2 57 57 ARG H H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HA . . B . 57 ARG H . B . 53 . HA . . . B . 57 . HN . . rr_2fyl 2 445 1 OR . 2 2 53 53 CYS HA H . . . 2 2 57 57 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HA . . B . 57 ARG HD2 . B . 53 . HA . . . B . 57 . HD# . . rr_2fyl 2 445 2 OR . 2 2 53 53 CYS HA H . . . 2 2 57 57 ARG HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HA . . B . 57 ARG HD3 . B . 53 . HA . . . B . 57 . HD# . . rr_2fyl 2 446 1 . . 2 2 59 59 ILE MG H . . . 2 2 53 53 CYS HA H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 53 CYS HA . B . 59 . HG2# . . . B . 53 . HA . . rr_2fyl 2 447 1 OR . 2 2 54 54 ASN H H . . . 2 2 53 53 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN H . . B . 53 CYS HB2 . B . 54 . HN . . . B . 53 . HB# . . rr_2fyl 2 447 2 OR . 2 2 53 53 CYS HB3 H . . . 2 2 54 54 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HB3 . . B . 54 ASN H . B . 53 . HB# . . . B . 54 . HN . . rr_2fyl 2 448 1 OR . 2 2 54 54 ASN HD21 H . . . 2 2 53 53 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN HD21 . . B . 53 CYS HB2 . B . 54 . HD21 . . . B . 53 . HB# . . rr_2fyl 2 448 2 OR . 2 2 53 53 CYS HB3 H . . . 2 2 54 54 ASN HD21 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HB3 . . B . 54 ASN HD21 . B . 53 . HB# . . . B . 54 . HD21 . . rr_2fyl 2 449 1 OR . 2 2 55 55 ASN H H . . . 2 2 53 53 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN H . . B . 53 CYS HB2 . B . 55 . HN . . . B . 53 . HB# . . rr_2fyl 2 449 2 OR . 2 2 53 53 CYS HB3 H . . . 2 2 55 55 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HB3 . . B . 55 ASN H . B . 53 . HB# . . . B . 55 . HN . . rr_2fyl 2 450 1 OR . 2 2 56 56 GLY H H . . . 2 2 53 53 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 56 GLY H . . B . 53 CYS HB2 . B . 56 . HN . . . B . 53 . HB# . . rr_2fyl 2 450 2 OR . 2 2 53 53 CYS HB3 H . . . 2 2 56 56 GLY H H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HB3 . . B . 56 GLY H . B . 53 . HB# . . . B . 56 . HN . . rr_2fyl 2 451 1 OR . 2 2 57 57 ARG H H . . . 2 2 53 53 CYS HB2 H . . . . . 3.00 1.8 3.3 . . . . . B . 57 ARG H . . B . 53 CYS HB2 . B . 57 . HN . . . B . 53 . HB# . . rr_2fyl 2 451 2 OR . 2 2 53 53 CYS HB3 H . . . 2 2 57 57 ARG H H . . . . . 3.00 1.8 3.3 . . . . . B . 53 CYS HB3 . . B . 57 ARG H . B . 53 . HB# . . . B . 57 . HN . . rr_2fyl 2 452 1 OR . 2 2 53 53 CYS HB2 H . . . 2 2 57 57 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HB2 . . B . 57 ARG HB2 . B . 53 . HB# . . . B . 57 . HB# . . rr_2fyl 2 452 2 OR . 2 2 57 57 ARG HB3 H . . . 2 2 53 53 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG HB3 . . B . 53 CYS HB2 . B . 57 . HB# . . . B . 53 . HB# . . rr_2fyl 2 452 3 OR . 2 2 53 53 CYS HB3 H . . . 2 2 57 57 ARG HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HB3 . . B . 57 ARG HB3 . B . 53 . HB# . . . B . 57 . HB# . . rr_2fyl 2 452 4 OR . 2 2 53 53 CYS HB3 H . . . 2 2 57 57 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 53 CYS HB3 . . B . 57 ARG HB2 . B . 53 . HB# . . . B . 57 . HB# . . rr_2fyl 2 453 1 . . 2 2 54 54 ASN H H . . . 2 2 54 54 ASN HD21 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN H . . B . 54 ASN HD21 . B . 54 . HN . . . B . 54 . HD21 . . rr_2fyl 2 454 1 . . 2 2 54 54 ASN H H . . . 2 2 54 54 ASN HD22 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN H . . B . 54 ASN HD22 . B . 54 . HN . . . B . 54 . HD22 . . rr_2fyl 2 455 1 . . 2 2 54 54 ASN H H . . . 2 2 55 55 ASN H H . . . . . 4.50 1.8 6.0 . . . . . B . 54 ASN H . . B . 55 ASN H . B . 54 . HN . . . B . 55 . HN . . rr_2fyl 2 456 1 . . 2 2 54 54 ASN H H . . . 2 2 56 56 GLY H H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN H . . B . 56 GLY H . B . 54 . HN . . . B . 56 . HN . . rr_2fyl 2 457 1 . . 2 2 54 54 ASN H H . . . 2 2 75 75 SER H H . . . . . 4.50 1.8 6.0 . . . . . B . 54 ASN H . . B . 75 SER H . B . 54 . HN . . . B . 75 . HN . . rr_2fyl 2 458 1 . . 2 2 54 54 ASN H H . . . 2 2 75 75 SER HA H . . . . . 4.50 1.8 6.0 . . . . . B . 54 ASN H . . B . 75 SER HA . B . 54 . HN . . . B . 75 . HA . . rr_2fyl 2 459 1 OR . 2 2 54 54 ASN H H . . . 2 2 75 75 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN H . . B . 75 SER HB2 . B . 54 . HN . . . B . 75 . HB# . . rr_2fyl 2 459 2 OR . 2 2 54 54 ASN H H . . . 2 2 75 75 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN H . . B . 75 SER HB3 . B . 54 . HN . . . B . 75 . HB# . . rr_2fyl 2 460 1 . . 2 2 54 54 ASN HD21 H . . . 2 2 54 54 ASN HA H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN HD21 . . B . 54 ASN HA . B . 54 . HD21 . . . B . 54 . HA . . rr_2fyl 2 461 1 . . 2 2 54 54 ASN HD22 H . . . 2 2 54 54 ASN HA H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN HD22 . . B . 54 ASN HA . B . 54 . HD22 . . . B . 54 . HA . . rr_2fyl 2 462 1 . . 2 2 56 56 GLY H H . . . 2 2 54 54 ASN HA H . . . . . 4.00 1.8 5.0 . . . . . B . 56 GLY H . . B . 54 ASN HA . B . 56 . HN . . . B . 54 . HA . . rr_2fyl 2 463 1 OR . 2 2 54 54 ASN HB3 H . . . 2 2 75 75 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN HB3 . . B . 75 SER HB2 . B . 54 . HB# . . . B . 75 . HB# . . rr_2fyl 2 463 2 OR . 2 2 54 54 ASN HB2 H . . . 2 2 75 75 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN HB2 . . B . 75 SER HB2 . B . 54 . HB# . . . B . 75 . HB# . . rr_2fyl 2 463 3 OR . 2 2 75 75 SER HB3 H . . . 2 2 54 54 ASN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 75 SER HB3 . . B . 54 ASN HB2 . B . 75 . HB# . . . B . 54 . HB# . . rr_2fyl 2 463 4 OR . 2 2 75 75 SER HB3 H . . . 2 2 54 54 ASN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 75 SER HB3 . . B . 54 ASN HB3 . B . 75 . HB# . . . B . 54 . HB# . . rr_2fyl 2 464 1 OR . 2 2 54 54 ASN HD21 H . . . 2 2 75 75 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN HD21 . . B . 75 SER HB2 . B . 54 . HD21 . . . B . 75 . HB# . . rr_2fyl 2 464 2 OR . 2 2 54 54 ASN HD21 H . . . 2 2 75 75 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN HD21 . . B . 75 SER HB3 . B . 54 . HD21 . . . B . 75 . HB# . . rr_2fyl 2 465 1 OR . 2 2 54 54 ASN HD22 H . . . 2 2 75 75 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN HD22 . . B . 75 SER HB2 . B . 54 . HD22 . . . B . 75 . HB# . . rr_2fyl 2 465 2 OR . 2 2 54 54 ASN HD22 H . . . 2 2 75 75 SER HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 54 ASN HD22 . . B . 75 SER HB3 . B . 54 . HD22 . . . B . 75 . HB# . . rr_2fyl 2 466 1 . . 2 2 55 55 ASN H H . . . 2 2 55 55 ASN HA H . . . . . 2.40 1.8 2.7 . . . . . B . 55 ASN H . . B . 55 ASN HA . B . 55 . HN . . . B . 55 . HA . . rr_2fyl 2 467 1 . . 2 2 55 55 ASN H H . . . 2 2 55 55 ASN HD21 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN H . . B . 55 ASN HD21 . B . 55 . HN . . . B . 55 . HD21 . . rr_2fyl 2 468 1 . . 2 2 56 56 GLY H H . . . 2 2 55 55 ASN H H . . . . . 3.00 1.8 3.3 . . . . . B . 56 GLY H . . B . 55 ASN H . B . 56 . HN . . . B . 55 . HN . . rr_2fyl 2 469 1 OR . 2 2 55 55 ASN H H . . . 2 2 57 57 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN H . . B . 57 ARG HB2 . B . 55 . HN . . . B . 57 . HB# . . rr_2fyl 2 469 2 OR . 2 2 57 57 ARG HB3 H . . . 2 2 55 55 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG HB3 . . B . 55 ASN H . B . 57 . HB# . . . B . 55 . HN . . rr_2fyl 2 470 1 OR . 2 2 55 55 ASN H H . . . 2 2 57 57 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN H . . B . 57 ARG HD2 . B . 55 . HN . . . B . 57 . HD# . . rr_2fyl 2 470 2 OR . 2 2 57 57 ARG HD3 H . . . 2 2 55 55 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG HD3 . . B . 55 ASN H . B . 57 . HD# . . . B . 55 . HN . . rr_2fyl 2 471 1 . . 2 2 55 55 ASN H H . . . 2 2 73 73 ASP H H . . . . . 4.50 1.8 6.0 . . . . . B . 55 ASN H . . B . 73 ASP H . B . 55 . HN . . . B . 73 . HN . . rr_2fyl 2 472 1 . . 2 2 55 55 ASN HA H . . . 2 2 55 55 ASN HD21 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN HA . . B . 55 ASN HD21 . B . 55 . HA . . . B . 55 . HD21 . . rr_2fyl 2 473 1 . . 2 2 55 55 ASN HA H . . . 2 2 55 55 ASN HD22 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN HA . . B . 55 ASN HD22 . B . 55 . HA . . . B . 55 . HD22 . . rr_2fyl 2 474 1 OR . 2 2 57 57 ARG H H . . . 2 2 55 55 ASN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG H . . B . 55 ASN HB2 . B . 57 . HN . . . B . 55 . HB# . . rr_2fyl 2 474 2 OR . 2 2 57 57 ARG H H . . . 2 2 55 55 ASN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG H . . B . 55 ASN HB3 . B . 57 . HN . . . B . 55 . HB# . . rr_2fyl 2 475 1 OR . 2 2 55 55 ASN HD21 H . . . 2 2 57 57 ARG HD2 H . . . . . 4.50 1.8 6.0 . . . . . B . 55 ASN HD21 . . B . 57 ARG HD2 . B . 55 . HD21 . . . B . 57 . HD# . . rr_2fyl 2 475 2 OR . 2 2 57 57 ARG HD3 H . . . 2 2 55 55 ASN HD21 H . . . . . 4.50 1.8 6.0 . . . . . B . 57 ARG HD3 . . B . 55 ASN HD21 . B . 57 . HD# . . . B . 55 . HD21 . . rr_2fyl 2 476 1 . . 2 2 55 55 ASN HD21 H . . . 2 2 73 73 ASP H H . . . . . 4.50 1.8 6.0 . . . . . B . 55 ASN HD21 . . B . 73 ASP H . B . 55 . HD21 . . . B . 73 . HN . . rr_2fyl 2 477 1 OR . 2 2 55 55 ASN HD21 H . . . 2 2 73 73 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN HD21 . . B . 73 ASP HB2 . B . 55 . HD21 . . . B . 73 . HB# . . rr_2fyl 2 477 2 OR . 2 2 55 55 ASN HD21 H . . . 2 2 73 73 ASP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN HD21 . . B . 73 ASP HB3 . B . 55 . HD21 . . . B . 73 . HB# . . rr_2fyl 2 478 1 OR . 2 2 55 55 ASN HD22 H . . . 2 2 73 73 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN HD22 . . B . 73 ASP HB2 . B . 55 . HD22 . . . B . 73 . HB# . . rr_2fyl 2 478 2 OR . 2 2 55 55 ASN HD22 H . . . 2 2 73 73 ASP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 55 ASN HD22 . . B . 73 ASP HB3 . B . 55 . HD22 . . . B . 73 . HB# . . rr_2fyl 2 479 1 . . 2 2 56 56 GLY H H . . . 2 2 57 57 ARG H H . . . . . 3.00 1.8 3.3 . . . . . B . 56 GLY H . . B . 57 ARG H . B . 56 . HN . . . B . 57 . HN . . rr_2fyl 2 480 1 . . 2 2 56 56 GLY H H . . . 2 2 57 57 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 56 GLY H . . B . 57 ARG HA . B . 56 . HN . . . B . 57 . HA . . rr_2fyl 2 481 1 OR . 2 2 56 56 GLY H H . . . 2 2 57 57 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 56 GLY H . . B . 57 ARG HB2 . B . 56 . HN . . . B . 57 . HB# . . rr_2fyl 2 481 2 OR . 2 2 56 56 GLY H H . . . 2 2 57 57 ARG HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 56 GLY H . . B . 57 ARG HB3 . B . 56 . HN . . . B . 57 . HB# . . rr_2fyl 2 482 1 OR . 2 2 56 56 GLY H H . . . 2 2 57 57 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 56 GLY H . . B . 57 ARG HG2 . B . 56 . HN . . . B . 57 . HG# . . rr_2fyl 2 482 2 OR . 2 2 56 56 GLY H H . . . 2 2 57 57 ARG HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 56 GLY H . . B . 57 ARG HG3 . B . 56 . HN . . . B . 57 . HG# . . rr_2fyl 2 483 1 OR . 2 2 57 57 ARG HA H . . . 2 2 56 56 GLY HA2 H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG HA . . B . 56 GLY HA2 . B . 57 . HA . . . B . 56 . HA# . . rr_2fyl 2 483 2 OR . 2 2 56 56 GLY HA3 H . . . 2 2 57 57 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 56 GLY HA3 . . B . 57 ARG HA . B . 56 . HA# . . . B . 57 . HA . . rr_2fyl 2 484 1 OR . 2 2 57 57 ARG H H . . . 2 2 57 57 ARG HB2 H . . . . . 2.40 1.8 2.7 . . . . . B . 57 ARG H . . B . 57 ARG HB2 . B . 57 . HN . . . B . 57 . HB# . . rr_2fyl 2 484 2 OR . 2 2 57 57 ARG H H . . . 2 2 57 57 ARG HB3 H . . . . . 2.40 1.8 2.7 . . . . . B . 57 ARG H . . B . 57 ARG HB3 . B . 57 . HN . . . B . 57 . HB# . . rr_2fyl 2 485 1 OR . 2 2 57 57 ARG H H . . . 2 2 57 57 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG H . . B . 57 ARG HG2 . B . 57 . HN . . . B . 57 . HG# . . rr_2fyl 2 485 2 OR . 2 2 57 57 ARG H H . . . 2 2 57 57 ARG HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG H . . B . 57 ARG HG3 . B . 57 . HN . . . B . 57 . HG# . . rr_2fyl 2 486 1 OR . 2 2 57 57 ARG H H . . . 2 2 57 57 ARG HD2 H . . . . . 3.00 1.8 3.3 . . . . . B . 57 ARG H . . B . 57 ARG HD2 . B . 57 . HN . . . B . 57 . HD# . . rr_2fyl 2 486 2 OR . 2 2 57 57 ARG H H . . . 2 2 57 57 ARG HD3 H . . . . . 3.00 1.8 3.3 . . . . . B . 57 ARG H . . B . 57 ARG HD3 . B . 57 . HN . . . B . 57 . HD# . . rr_2fyl 2 487 1 . . 2 2 58 58 CYS H H . . . 2 2 57 57 ARG H H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS H . . B . 57 ARG H . B . 58 . HN . . . B . 57 . HN . . rr_2fyl 2 488 1 . . 2 2 58 58 CYS HA H . . . 2 2 57 57 ARG H H . . . . . 4.50 1.8 6.0 . . . . . B . 58 CYS HA . . B . 57 ARG H . B . 58 . HA . . . B . 57 . HN . . rr_2fyl 2 489 1 OR . 2 2 57 57 ARG HA H . . . 2 2 57 57 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG HA . . B . 57 ARG HD2 . B . 57 . HA . . . B . 57 . HD# . . rr_2fyl 2 489 2 OR . 2 2 57 57 ARG HD3 H . . . 2 2 57 57 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG HD3 . . B . 57 ARG HA . B . 57 . HD# . . . B . 57 . HA . . rr_2fyl 2 490 1 . . 2 2 58 58 CYS H H . . . 2 2 57 57 ARG HA H . . . . . 3.00 1.8 3.3 . . . . . B . 58 CYS H . . B . 57 ARG HA . B . 58 . HN . . . B . 57 . HA . . rr_2fyl 2 491 1 OR . 2 2 57 57 ARG HA H . . . 2 2 58 58 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 57 ARG HA . . B . 58 CYS HB2 . B . 57 . HA . . . B . 58 . HB# . . rr_2fyl 2 491 2 OR . 2 2 58 58 CYS HB3 H . . . 2 2 57 57 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS HB3 . . B . 57 ARG HA . B . 58 . HB# . . . B . 57 . HA . . rr_2fyl 2 492 1 OR . 2 2 58 58 CYS H H . . . 2 2 57 57 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS H . . B . 57 ARG HG2 . B . 58 . HN . . . B . 57 . HG# . . rr_2fyl 2 492 2 OR . 2 2 58 58 CYS H H . . . 2 2 57 57 ARG HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS H . . B . 57 ARG HG3 . B . 58 . HN . . . B . 57 . HG# . . rr_2fyl 2 493 1 OR . 2 2 57 57 ARG HG2 H . . . 2 2 58 58 CYS HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 57 ARG HG2 . . B . 58 CYS HB2 . B . 57 . HG# . . . B . 58 . HB# . . rr_2fyl 2 493 2 OR . 2 2 58 58 CYS HB3 H . . . 2 2 57 57 ARG HG2 H . . . . . 4.50 1.8 6.0 . . . . . B . 58 CYS HB3 . . B . 57 ARG HG2 . B . 58 . HB# . . . B . 57 . HG# . . rr_2fyl 2 493 3 OR . 2 2 58 58 CYS HB3 H . . . 2 2 57 57 ARG HG3 H . . . . . 4.50 1.8 6.0 . . . . . B . 58 CYS HB3 . . B . 57 ARG HG3 . B . 58 . HB# . . . B . 57 . HG# . . rr_2fyl 2 493 4 OR . 2 2 57 57 ARG HG3 H . . . 2 2 58 58 CYS HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 57 ARG HG3 . . B . 58 CYS HB2 . B . 57 . HG# . . . B . 58 . HB# . . rr_2fyl 2 494 1 OR . 2 2 58 58 CYS H H . . . 2 2 57 57 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS H . . B . 57 ARG HD2 . B . 58 . HN . . . B . 57 . HD# . . rr_2fyl 2 494 2 OR . 2 2 58 58 CYS H H . . . 2 2 57 57 ARG HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS H . . B . 57 ARG HD3 . B . 58 . HN . . . B . 57 . HD# . . rr_2fyl 2 495 1 . . 2 2 58 58 CYS H H . . . 2 2 59 59 ILE H H . . . . . 4.00 1.8 5.0 . . . . . B . 58 CYS H . . B . 59 ILE H . B . 58 . HN . . . B . 59 . HN . . rr_2fyl 2 496 1 . . 2 2 58 58 CYS H H . . . 2 2 59 59 ILE MG H . . . . . 4.00 1.8 5.5 . . . . . B . 58 CYS H . . B . 59 ILE MG . B . 58 . HN . . . B . 59 . HG2# . . rr_2fyl 2 497 1 . . 2 2 59 59 ILE H H . . . 2 2 58 58 CYS HA H . . . . . 3.00 1.8 3.3 . . . . . B . 59 ILE H . . B . 58 CYS HA . B . 59 . HN . . . B . 58 . HA . . rr_2fyl 2 498 1 . . 2 2 59 59 ILE MG H . . . 2 2 58 58 CYS HA H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 58 CYS HA . B . 59 . HG2# . . . B . 58 . HA . . rr_2fyl 2 499 1 OR . 2 2 59 59 ILE H H . . . 2 2 58 58 CYS HB2 H . . . . . 3.00 1.8 3.3 . . . . . B . 59 ILE H . . B . 58 CYS HB2 . B . 59 . HN . . . B . 58 . HB# . . rr_2fyl 2 499 2 OR . 2 2 58 58 CYS HB3 H . . . 2 2 59 59 ILE H H . . . . . 3.00 1.8 3.3 . . . . . B . 58 CYS HB3 . . B . 59 ILE H . B . 58 . HB# . . . B . 59 . HN . . rr_2fyl 2 500 1 OR . 2 2 59 59 ILE H H . . . 2 2 59 59 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE H . . B . 59 ILE HG12 . B . 59 . HN . . . B . 59 . HG1# . . rr_2fyl 2 500 2 OR . 2 2 59 59 ILE H H . . . 2 2 59 59 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE H . . B . 59 ILE HG13 . B . 59 . HN . . . B . 59 . HG1# . . rr_2fyl 2 501 1 . . 2 2 59 59 ILE H H . . . 2 2 59 59 ILE MD H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE H . . B . 59 ILE MD . B . 59 . HN . . . B . 59 . HD# . . rr_2fyl 2 502 1 . . 2 2 59 59 ILE HA H . . . 2 2 60 60 ASN H H . . . . . 3.00 1.8 3.3 . . . . . B . 59 ILE HA . . B . 60 ASN H . B . 59 . HA . . . B . 60 . HN . . rr_2fyl 2 503 1 . . 2 2 59 59 ILE HB H . . . 2 2 60 60 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HB . . B . 60 ASN H . B . 59 . HB . . . B . 60 . HN . . rr_2fyl 2 504 1 OR . 2 2 59 59 ILE HB H . . . 2 2 63 63 TRP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HB . . B . 63 TRP HB2 . B . 59 . HB . . . B . 63 . HB# . . rr_2fyl 2 504 2 OR . 2 2 59 59 ILE HB H . . . 2 2 63 63 TRP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HB . . B . 63 TRP HB3 . B . 59 . HB . . . B . 63 . HB# . . rr_2fyl 2 505 1 . . 2 2 59 59 ILE HB H . . . 2 2 63 63 TRP HE3 H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HB . . B . 63 TRP HE3 . B . 59 . HB . . . B . 63 . HE3 . . rr_2fyl 2 506 1 OR . 2 2 59 59 ILE MG H . . . 2 2 63 63 TRP HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 63 TRP HB2 . B . 59 . HG2# . . . B . 63 . HB# . . rr_2fyl 2 506 2 OR . 2 2 59 59 ILE MG H . . . 2 2 63 63 TRP HB3 H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 63 TRP HB3 . B . 59 . HG2# . . . B . 63 . HB# . . rr_2fyl 2 507 1 . . 2 2 59 59 ILE MG H . . . 2 2 63 63 TRP HE3 H . . . . . 3.00 1.8 3.8 . . . . . B . 59 ILE MG . . B . 63 TRP HE3 . B . 59 . HG2# . . . B . 63 . HE3 . . rr_2fyl 2 508 1 OR . 2 2 59 59 ILE MG H . . . 2 2 70 70 ASP HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 70 ASP HB2 . B . 59 . HG2# . . . B . 70 . HB# . . rr_2fyl 2 508 2 OR . 2 2 59 59 ILE MG H . . . 2 2 70 70 ASP HB3 H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 70 ASP HB3 . B . 59 . HG2# . . . B . 70 . HB# . . rr_2fyl 2 509 1 . . 2 2 59 59 ILE MG H . . . 2 2 71 71 CYS H H . . . . . 4.00 1.8 5.5 . . . . . B . 59 ILE MG . . B . 71 CYS H . B . 59 . HG2# . . . B . 71 . HN . . rr_2fyl 2 510 1 OR . 2 2 60 60 ASN H H . . . 2 2 59 59 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 60 ASN H . . B . 59 ILE HG12 . B . 60 . HN . . . B . 59 . HG1# . . rr_2fyl 2 510 2 OR . 2 2 59 59 ILE HG13 H . . . 2 2 60 60 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HG13 . . B . 60 ASN H . B . 59 . HG1# . . . B . 60 . HN . . rr_2fyl 2 511 1 OR . 2 2 63 63 TRP HE3 H . . . 2 2 59 59 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP HE3 . . B . 59 ILE HG12 . B . 63 . HE3 . . . B . 59 . HG1# . . rr_2fyl 2 511 2 OR . 2 2 59 59 ILE HG13 H . . . 2 2 63 63 TRP HE3 H . . . . . 4.00 1.8 5.0 . . . . . B . 59 ILE HG13 . . B . 63 TRP HE3 . B . 59 . HG1# . . . B . 63 . HE3 . . rr_2fyl 2 512 1 . . 2 2 59 59 ILE MD H . . . 2 2 60 60 ASN H H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 60 ASN H . B . 59 . HD# . . . B . 60 . HN . . rr_2fyl 2 513 1 . . 2 2 59 59 ILE MD H . . . 2 2 63 63 TRP H H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 63 TRP H . B . 59 . HD# . . . B . 63 . HN . . rr_2fyl 2 514 1 . . 2 2 59 59 ILE MD H . . . 2 2 63 63 TRP HA H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 63 TRP HA . B . 59 . HD# . . . B . 63 . HA . . rr_2fyl 2 515 1 OR . 2 2 59 59 ILE MD H . . . 2 2 63 63 TRP HB2 H . . . . . 3.00 1.8 3.7 . . . . . B . 59 ILE MD . . B . 63 TRP HB2 . B . 59 . HD# . . . B . 63 . HB# . . rr_2fyl 2 515 2 OR . 2 2 59 59 ILE MD H . . . 2 2 63 63 TRP HB3 H . . . . . 3.00 1.8 3.7 . . . . . B . 59 ILE MD . . B . 63 TRP HB3 . B . 59 . HD# . . . B . 63 . HB# . . rr_2fyl 2 516 1 . . 2 2 59 59 ILE MD H . . . 2 2 63 63 TRP HD1 H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 63 TRP HD1 . B . 59 . HD# . . . B . 63 . HD1 . . rr_2fyl 2 517 1 . . 2 2 59 59 ILE MD H . . . 2 2 63 63 TRP HE3 H . . . . . 3.00 1.8 3.7 . . . . . B . 59 ILE MD . . B . 63 TRP HE3 . B . 59 . HD# . . . B . 63 . HE3 . . rr_2fyl 2 518 1 . . 2 2 59 59 ILE MD H . . . 2 2 64 64 ARG H H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 64 ARG H . B . 59 . HD# . . . B . 64 . HN . . rr_2fyl 2 519 1 . . 2 2 59 59 ILE MD H . . . 2 2 64 64 ARG HA H . . . . . 4.50 1.8 6.0 . . . . . B . 59 ILE MD . . B . 64 ARG HA . B . 59 . HD# . . . B . 64 . HA . . rr_2fyl 2 520 1 . . 2 2 59 59 ILE MD H . . . 2 2 70 70 ASP H H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 70 ASP H . B . 59 . HD# . . . B . 70 . HN . . rr_2fyl 2 521 1 OR . 2 2 59 59 ILE MD H . . . 2 2 70 70 ASP HB2 H . . . . . 3.00 1.8 3.7 . . . . . B . 59 ILE MD . . B . 70 ASP HB2 . B . 59 . HD# . . . B . 70 . HB# . . rr_2fyl 2 521 2 OR . 2 2 59 59 ILE MD H . . . 2 2 70 70 ASP HB3 H . . . . . 3.00 1.8 3.7 . . . . . B . 59 ILE MD . . B . 70 ASP HB3 . B . 59 . HD# . . . B . 70 . HB# . . rr_2fyl 2 522 1 . . 2 2 59 59 ILE MD H . . . 2 2 71 71 CYS H H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 71 CYS H . B . 59 . HD# . . . B . 71 . HN . . rr_2fyl 2 523 1 . . 2 2 59 59 ILE MD H . . . 2 2 76 76 ASP H H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 76 ASP H . B . 59 . HD# . . . B . 76 . HN . . rr_2fyl 2 524 1 . . 2 2 59 59 ILE MD H . . . 2 2 76 76 ASP HA H . . . . . 4.50 1.8 6.0 . . . . . B . 59 ILE MD . . B . 76 ASP HA . B . 59 . HD# . . . B . 76 . HA . . rr_2fyl 2 525 1 OR . 2 2 59 59 ILE MD H . . . 2 2 76 76 ASP HB2 H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 76 ASP HB2 . B . 59 . HD# . . . B . 76 . HB# . . rr_2fyl 2 525 2 OR . 2 2 59 59 ILE MD H . . . 2 2 76 76 ASP HB3 H . . . . . 4.00 1.8 5.4 . . . . . B . 59 ILE MD . . B . 76 ASP HB3 . B . 59 . HD# . . . B . 76 . HB# . . rr_2fyl 2 526 1 . . 2 2 61 61 ILE H H . . . 2 2 60 60 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE H . . B . 60 ASN H . B . 61 . HN . . . B . 60 . HN . . rr_2fyl 2 527 1 . . 2 2 60 60 ASN H H . . . 2 2 63 63 TRP HE3 H . . . . . 4.00 1.8 5.0 . . . . . B . 60 ASN H . . B . 63 TRP HE3 . B . 60 . HN . . . B . 63 . HE3 . . rr_2fyl 2 528 1 . . 2 2 60 60 ASN H H . . . 2 2 63 63 TRP HZ3 H . . . . . 4.50 1.8 6.0 . . . . . B . 60 ASN H . . B . 63 TRP HZ3 . B . 60 . HN . . . B . 63 . HZ3 . . rr_2fyl 2 529 1 . . 2 2 61 61 ILE HB H . . . 2 2 60 60 ASN HA H . . . . . 4.50 1.8 6.0 . . . . . B . 61 ILE HB . . B . 60 ASN HA . B . 61 . HB . . . B . 60 . HA . . rr_2fyl 2 530 1 . . 2 2 61 61 ILE MG H . . . 2 2 60 60 ASN HA H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 60 ASN HA . B . 61 . HG2# . . . B . 60 . HA . . rr_2fyl 2 531 1 . . 2 2 60 60 ASN HA H . . . 2 2 62 62 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 60 ASN HA . . B . 62 ASN H . B . 60 . HA . . . B . 62 . HN . . rr_2fyl 2 532 1 OR . 2 2 62 62 ASN H H . . . 2 2 60 60 ASN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 62 ASN H . . B . 60 ASN HB2 . B . 62 . HN . . . B . 60 . HB# . . rr_2fyl 2 532 2 OR . 2 2 62 62 ASN H H . . . 2 2 60 60 ASN HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 62 ASN H . . B . 60 ASN HB3 . B . 62 . HN . . . B . 60 . HB# . . rr_2fyl 2 533 1 OR . 2 2 63 63 TRP H H . . . 2 2 60 60 ASN HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 63 TRP H . . B . 60 ASN HB2 . B . 63 . HN . . . B . 60 . HB# . . rr_2fyl 2 533 2 OR . 2 2 63 63 TRP H H . . . 2 2 60 60 ASN HB3 H . . . . . 4.50 1.8 6.0 . . . . . B . 63 TRP H . . B . 60 ASN HB3 . B . 63 . HN . . . B . 60 . HB# . . rr_2fyl 2 534 1 OR . 2 2 63 63 TRP HD1 H . . . 2 2 60 60 ASN HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 63 TRP HD1 . . B . 60 ASN HB2 . B . 63 . HD1 . . . B . 60 . HB# . . rr_2fyl 2 534 2 OR . 2 2 63 63 TRP HD1 H . . . 2 2 60 60 ASN HB3 H . . . . . 4.50 1.8 6.0 . . . . . B . 63 TRP HD1 . . B . 60 ASN HB3 . B . 63 . HD1 . . . B . 60 . HB# . . rr_2fyl 2 535 1 OR . 2 2 63 63 TRP HE1 H . . . 2 2 60 60 ASN HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 63 TRP HE1 . . B . 60 ASN HB2 . B . 63 . HE1 . . . B . 60 . HB# . . rr_2fyl 2 535 2 OR . 2 2 60 60 ASN HB3 H . . . 2 2 63 63 TRP HE1 H . . . . . 4.50 1.8 6.0 . . . . . B . 60 ASN HB3 . . B . 63 TRP HE1 . B . 60 . HB# . . . B . 63 . HE1 . . rr_2fyl 2 536 1 OR . 2 2 63 63 TRP HZ2 H . . . 2 2 60 60 ASN HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP HZ2 . . B . 60 ASN HB2 . B . 63 . HZ2 . . . B . 60 . HB# . . rr_2fyl 2 536 2 OR . 2 2 60 60 ASN HB3 H . . . 2 2 63 63 TRP HZ2 H . . . . . 4.00 1.8 5.0 . . . . . B . 60 ASN HB3 . . B . 63 TRP HZ2 . B . 60 . HB# . . . B . 63 . HZ2 . . rr_2fyl 2 537 1 . . 2 2 61 61 ILE HB H . . . 2 2 61 61 ILE H H . . . . . 2.40 1.8 2.7 . . . . . B . 61 ILE HB . . B . 61 ILE H . B . 61 . HB . . . B . 61 . HN . . rr_2fyl 2 538 1 . . 2 2 61 61 ILE MG H . . . 2 2 61 61 ILE H H . . . . . 2.40 1.8 3.2 . . . . . B . 61 ILE MG . . B . 61 ILE H . B . 61 . HG2# . . . B . 61 . HN . . rr_2fyl 2 539 1 OR . 2 2 61 61 ILE H H . . . 2 2 61 61 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE H . . B . 61 ILE HG12 . B . 61 . HN . . . B . 61 . HG1# . . rr_2fyl 2 539 2 OR . 2 2 61 61 ILE H H . . . 2 2 61 61 ILE HG13 H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE H . . B . 61 ILE HG13 . B . 61 . HN . . . B . 61 . HG1# . . rr_2fyl 2 540 1 . . 2 2 61 61 ILE MD H . . . 2 2 61 61 ILE H H . . . . . 4.00 1.8 5.4 . . . . . B . 61 ILE MD . . B . 61 ILE H . B . 61 . HD# . . . B . 61 . HN . . rr_2fyl 2 541 1 . . 2 2 61 61 ILE H H . . . 2 2 62 62 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE H . . B . 62 ASN H . B . 61 . HN . . . B . 62 . HN . . rr_2fyl 2 542 1 . . 2 2 61 61 ILE MD H . . . 2 2 61 61 ILE HA H . . . . . 3.00 1.8 3.7 . . . . . B . 61 ILE MD . . B . 61 ILE HA . B . 61 . HD# . . . B . 61 . HA . . rr_2fyl 2 543 1 . . 2 2 61 61 ILE HA H . . . 2 2 62 62 ASN H H . . . . . 3.00 1.8 3.3 . . . . . B . 61 ILE HA . . B . 62 ASN H . B . 61 . HA . . . B . 62 . HN . . rr_2fyl 2 544 1 . . 2 2 61 61 ILE HA H . . . 2 2 63 63 TRP H H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE HA . . B . 63 TRP H . B . 61 . HA . . . B . 63 . HN . . rr_2fyl 2 545 1 . . 2 2 61 61 ILE HA H . . . 2 2 64 64 ARG H H . . . . . 4.50 1.8 6.0 . . . . . B . 61 ILE HA . . B . 64 ARG H . B . 61 . HA . . . B . 64 . HN . . rr_2fyl 2 546 1 . . 2 2 61 61 ILE HB H . . . 2 2 62 62 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE HB . . B . 62 ASN H . B . 61 . HB . . . B . 62 . HN . . rr_2fyl 2 547 1 . . 2 2 61 61 ILE MG H . . . 2 2 62 62 ASN H H . . . . . 3.00 1.8 3.8 . . . . . B . 61 ILE MG . . B . 62 ASN H . B . 61 . HG2# . . . B . 62 . HN . . rr_2fyl 2 548 1 OR . 2 2 61 61 ILE MG H . . . 2 2 62 62 ASN HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 62 ASN HB2 . B . 61 . HG2# . . . B . 62 . HB# . . rr_2fyl 2 548 2 OR . 2 2 61 61 ILE MG H . . . 2 2 62 62 ASN HB3 H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 62 ASN HB3 . B . 61 . HG2# . . . B . 62 . HB# . . rr_2fyl 2 549 1 . . 2 2 61 61 ILE MG H . . . 2 2 62 62 ASN HD21 H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 62 ASN HD21 . B . 61 . HG2# . . . B . 62 . HD21 . . rr_2fyl 2 550 1 . . 2 2 61 61 ILE MG H . . . 2 2 62 62 ASN HD22 H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 62 ASN HD22 . B . 61 . HG2# . . . B . 62 . HD22 . . rr_2fyl 2 551 1 . . 2 2 61 61 ILE MG H . . . 2 2 63 63 TRP H H . . . . . 4.00 1.8 5.5 . . . . . B . 61 ILE MG . . B . 63 TRP H . B . 61 . HG2# . . . B . 63 . HN . . rr_2fyl 2 552 1 OR . 2 2 62 62 ASN H H . . . 2 2 61 61 ILE HG12 H . . . . . 4.00 1.8 5.0 . . . . . B . 62 ASN H . . B . 61 ILE HG12 . B . 62 . HN . . . B . 61 . HG1# . . rr_2fyl 2 552 2 OR . 2 2 61 61 ILE HG13 H . . . 2 2 62 62 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 61 ILE HG13 . . B . 62 ASN H . B . 61 . HG1# . . . B . 62 . HN . . rr_2fyl 2 553 1 . . 2 2 61 61 ILE MD H . . . 2 2 62 62 ASN H H . . . . . 4.00 1.8 5.4 . . . . . B . 61 ILE MD . . B . 62 ASN H . B . 61 . HD# . . . B . 62 . HN . . rr_2fyl 2 554 1 . . 2 2 61 61 ILE MD H . . . 2 2 64 64 ARG H H . . . . . 4.50 1.8 6.0 . . . . . B . 61 ILE MD . . B . 64 ARG H . B . 61 . HD# . . . B . 64 . HN . . rr_2fyl 2 555 1 . . 2 2 62 62 ASN H H . . . 2 2 62 62 ASN HD21 H . . . . . 4.00 1.8 5.0 . . . . . B . 62 ASN H . . B . 62 ASN HD21 . B . 62 . HN . . . B . 62 . HD21 . . rr_2fyl 2 556 1 . . 2 2 62 62 ASN H H . . . 2 2 62 62 ASN HD22 H . . . . . 4.50 1.8 6.0 . . . . . B . 62 ASN H . . B . 62 ASN HD22 . B . 62 . HN . . . B . 62 . HD22 . . rr_2fyl 2 557 1 . . 2 2 63 63 TRP H H . . . 2 2 62 62 ASN H H . . . . . 3.00 1.8 3.3 . . . . . B . 63 TRP H . . B . 62 ASN H . B . 63 . HN . . . B . 62 . HN . . rr_2fyl 2 558 1 . . 2 2 63 63 TRP HA H . . . 2 2 62 62 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP HA . . B . 62 ASN H . B . 63 . HA . . . B . 62 . HN . . rr_2fyl 2 559 1 OR . 2 2 62 62 ASN H H . . . 2 2 63 63 TRP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 62 ASN H . . B . 63 TRP HB2 . B . 62 . HN . . . B . 63 . HB# . . rr_2fyl 2 559 2 OR . 2 2 63 63 TRP HB3 H . . . 2 2 62 62 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP HB3 . . B . 62 ASN H . B . 63 . HB# . . . B . 62 . HN . . rr_2fyl 2 560 1 . . 2 2 63 63 TRP HD1 H . . . 2 2 62 62 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP HD1 . . B . 62 ASN H . B . 63 . HD1 . . . B . 62 . HN . . rr_2fyl 2 561 1 . . 2 2 64 64 ARG H H . . . 2 2 62 62 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 62 ASN H . B . 64 . HN . . . B . 62 . HN . . rr_2fyl 2 562 1 . . 2 2 63 63 TRP H H . . . 2 2 62 62 ASN HA H . . . . . 3.00 1.8 3.3 . . . . . B . 63 TRP H . . B . 62 ASN HA . B . 63 . HN . . . B . 62 . HA . . rr_2fyl 2 563 1 . . 2 2 64 64 ARG H H . . . 2 2 62 62 ASN HA H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 62 ASN HA . B . 64 . HN . . . B . 62 . HA . . rr_2fyl 2 564 1 OR . 2 2 63 63 TRP HD1 H . . . 2 2 62 62 ASN HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 63 TRP HD1 . . B . 62 ASN HB2 . B . 63 . HD1 . . . B . 62 . HB# . . rr_2fyl 2 564 2 OR . 2 2 63 63 TRP HD1 H . . . 2 2 62 62 ASN HB3 H . . . . . 4.50 1.8 6.0 . . . . . B . 63 TRP HD1 . . B . 62 ASN HB3 . B . 63 . HD1 . . . B . 62 . HB# . . rr_2fyl 2 565 1 . . 2 2 63 63 TRP H H . . . 2 2 63 63 TRP HD1 H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP H . . B . 63 TRP HD1 . B . 63 . HN . . . B . 63 . HD1 . . rr_2fyl 2 566 1 . . 2 2 64 64 ARG H H . . . 2 2 63 63 TRP H H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 63 TRP H . B . 64 . HN . . . B . 63 . HN . . rr_2fyl 2 567 1 . . 2 2 63 63 TRP H H . . . 2 2 64 64 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP H . . B . 64 ARG HA . B . 63 . HN . . . B . 64 . HA . . rr_2fyl 2 568 1 OR . 2 2 63 63 TRP H H . . . 2 2 64 64 ARG HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP H . . B . 64 ARG HB2 . B . 63 . HN . . . B . 64 . HB# . . rr_2fyl 2 568 2 OR . 2 2 63 63 TRP H H . . . 2 2 64 64 ARG HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP H . . B . 64 ARG HB3 . B . 63 . HN . . . B . 64 . HB# . . rr_2fyl 2 569 1 . . 2 2 63 63 TRP HA H . . . 2 2 63 63 TRP HD1 H . . . . . 4.50 1.8 6.0 . . . . . B . 63 TRP HA . . B . 63 TRP HD1 . B . 63 . HA . . . B . 63 . HD1 . . rr_2fyl 2 570 1 . . 2 2 63 63 TRP HE3 H . . . 2 2 63 63 TRP HA H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP HE3 . . B . 63 TRP HA . B . 63 . HE3 . . . B . 63 . HA . . rr_2fyl 2 571 1 OR . 2 2 64 64 ARG H H . . . 2 2 63 63 TRP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 63 TRP HB2 . B . 64 . HN . . . B . 63 . HB# . . rr_2fyl 2 571 2 OR . 2 2 64 64 ARG H H . . . 2 2 63 63 TRP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 63 TRP HB3 . B . 64 . HN . . . B . 63 . HB# . . rr_2fyl 2 572 1 . . 2 2 64 64 ARG H H . . . 2 2 63 63 TRP HD1 H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 63 TRP HD1 . B . 64 . HN . . . B . 63 . HD1 . . rr_2fyl 2 573 1 OR . 2 2 63 63 TRP HE3 H . . . 2 2 70 70 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP HE3 . . B . 70 ASP HB2 . B . 63 . HE3 . . . B . 70 . HB# . . rr_2fyl 2 573 2 OR . 2 2 63 63 TRP HE3 H . . . 2 2 70 70 ASP HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 63 TRP HE3 . . B . 70 ASP HB3 . B . 63 . HE3 . . . B . 70 . HB# . . rr_2fyl 2 574 1 OR . 2 2 64 64 ARG H H . . . 2 2 64 64 ARG HB2 H . . . . . 2.40 1.8 2.7 . . . . . B . 64 ARG H . . B . 64 ARG HB2 . B . 64 . HN . . . B . 64 . HB# . . rr_2fyl 2 574 2 OR . 2 2 64 64 ARG H H . . . 2 2 64 64 ARG HB3 H . . . . . 2.40 1.8 2.7 . . . . . B . 64 ARG H . . B . 64 ARG HB3 . B . 64 . HN . . . B . 64 . HB# . . rr_2fyl 2 575 1 OR . 2 2 64 64 ARG H H . . . 2 2 64 64 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 64 ARG HG2 . B . 64 . HN . . . B . 64 . HG# . . rr_2fyl 2 575 2 OR . 2 2 64 64 ARG H H . . . 2 2 64 64 ARG HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 64 ARG HG3 . B . 64 . HN . . . B . 64 . HG# . . rr_2fyl 2 576 1 OR . 2 2 64 64 ARG H H . . . 2 2 64 64 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 64 ARG HD2 . B . 64 . HN . . . B . 64 . HD# . . rr_2fyl 2 576 2 OR . 2 2 64 64 ARG H H . . . 2 2 64 64 ARG HD3 H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 64 ARG HD3 . B . 64 . HN . . . B . 64 . HD# . . rr_2fyl 2 577 1 . . 2 2 64 64 ARG H H . . . 2 2 65 65 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG H . . B . 65 CYS H . B . 64 . HN . . . B . 65 . HN . . rr_2fyl 2 578 1 OR . 2 2 64 64 ARG HA H . . . 2 2 64 64 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG HA . . B . 64 ARG HD2 . B . 64 . HA . . . B . 64 . HD# . . rr_2fyl 2 578 2 OR . 2 2 64 64 ARG HD3 H . . . 2 2 64 64 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG HD3 . . B . 64 ARG HA . B . 64 . HD# . . . B . 64 . HA . . rr_2fyl 2 579 1 . . 2 2 64 64 ARG HA H . . . 2 2 65 65 CYS H H . . . . . 3.00 1.8 3.3 . . . . . B . 64 ARG HA . . B . 65 CYS H . B . 64 . HA . . . B . 65 . HN . . rr_2fyl 2 580 1 OR . 2 2 64 64 ARG HA H . . . 2 2 76 76 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG HA . . B . 76 ASP HB2 . B . 64 . HA . . . B . 76 . HB# . . rr_2fyl 2 580 2 OR . 2 2 76 76 ASP HB3 H . . . 2 2 64 64 ARG HA H . . . . . 4.00 1.8 5.0 . . . . . B . 76 ASP HB3 . . B . 64 ARG HA . B . 76 . HB# . . . B . 64 . HA . . rr_2fyl 2 581 1 OR . 2 2 64 64 ARG HB3 H . . . 2 2 76 76 ASP HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 64 ARG HB3 . . B . 76 ASP HB2 . B . 64 . HB# . . . B . 76 . HB# . . rr_2fyl 2 581 2 OR . 2 2 64 64 ARG HB2 H . . . 2 2 76 76 ASP HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 64 ARG HB2 . . B . 76 ASP HB2 . B . 64 . HB# . . . B . 76 . HB# . . rr_2fyl 2 581 3 OR . 2 2 76 76 ASP HB3 H . . . 2 2 64 64 ARG HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 76 ASP HB3 . . B . 64 ARG HB2 . B . 76 . HB# . . . B . 64 . HB# . . rr_2fyl 2 581 4 OR . 2 2 76 76 ASP HB3 H . . . 2 2 64 64 ARG HB3 H . . . . . 4.50 1.8 6.0 . . . . . B . 76 ASP HB3 . . B . 64 ARG HB3 . B . 76 . HB# . . . B . 64 . HB# . . rr_2fyl 2 582 1 OR . 2 2 65 65 CYS H H . . . 2 2 64 64 ARG HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 65 CYS H . . B . 64 ARG HG2 . B . 65 . HN . . . B . 64 . HG# . . rr_2fyl 2 582 2 OR . 2 2 64 64 ARG HG3 H . . . 2 2 65 65 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG HG3 . . B . 65 CYS H . B . 64 . HG# . . . B . 65 . HN . . rr_2fyl 2 583 1 OR . 2 2 65 65 CYS H H . . . 2 2 64 64 ARG HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 65 CYS H . . B . 64 ARG HD2 . B . 65 . HN . . . B . 64 . HD# . . rr_2fyl 2 583 2 OR . 2 2 64 64 ARG HD3 H . . . 2 2 65 65 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 64 ARG HD3 . . B . 65 CYS H . B . 64 . HD# . . . B . 65 . HN . . rr_2fyl 2 584 1 OR . 2 2 76 76 ASP HA H . . . 2 2 64 64 ARG HD2 H . . . . . 4.50 1.8 6.0 . . . . . B . 76 ASP HA . . B . 64 ARG HD2 . B . 76 . HA . . . B . 64 . HD# . . rr_2fyl 2 584 2 OR . 2 2 64 64 ARG HD3 H . . . 2 2 76 76 ASP HA H . . . . . 4.50 1.8 6.0 . . . . . B . 64 ARG HD3 . . B . 76 ASP HA . B . 64 . HD# . . . B . 76 . HA . . rr_2fyl 2 585 1 . . 2 2 65 65 CYS H H . . . 2 2 66 66 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 65 CYS H . . B . 66 ASP H . B . 65 . HN . . . B . 66 . HN . . rr_2fyl 2 586 1 . . 2 2 66 66 ASP H H . . . 2 2 65 65 CYS HA H . . . . . 3.00 1.8 3.3 . . . . . B . 66 ASP H . . B . 65 CYS HA . B . 66 . HN . . . B . 65 . HA . . rr_2fyl 2 587 1 OR . 2 2 66 66 ASP H H . . . 2 2 65 65 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 66 ASP H . . B . 65 CYS HB2 . B . 66 . HN . . . B . 65 . HB# . . rr_2fyl 2 587 2 OR . 2 2 66 66 ASP H H . . . 2 2 65 65 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 66 ASP H . . B . 65 CYS HB3 . B . 66 . HN . . . B . 65 . HB# . . rr_2fyl 2 588 1 . . 2 2 66 66 ASP H H . . . 2 2 67 67 ASN H H . . . . . 3.00 1.8 3.3 . . . . . B . 66 ASP H . . B . 67 ASN H . B . 66 . HN . . . B . 67 . HN . . rr_2fyl 2 589 1 . . 2 2 66 66 ASP H H . . . 2 2 67 67 ASN HA H . . . . . 4.00 1.8 5.0 . . . . . B . 66 ASP H . . B . 67 ASN HA . B . 66 . HN . . . B . 67 . HA . . rr_2fyl 2 590 1 . . 2 2 66 66 ASP H H . . . 2 2 68 68 ASP H H . . . . . 4.50 1.8 6.0 . . . . . B . 66 ASP H . . B . 68 ASP H . B . 66 . HN . . . B . 68 . HN . . rr_2fyl 2 591 1 . . 2 2 67 67 ASN H H . . . 2 2 67 67 ASN HA H . . . . . 2.40 1.8 2.7 . . . . . B . 67 ASN H . . B . 67 ASN HA . B . 67 . HN . . . B . 67 . HA . . rr_2fyl 2 592 1 . . 2 2 67 67 ASN H H . . . 2 2 67 67 ASN HD22 H . . . . . 4.50 1.8 6.0 . . . . . B . 67 ASN H . . B . 67 ASN HD22 . B . 67 . HN . . . B . 67 . HD22 . . rr_2fyl 2 593 1 . . 2 2 67 67 ASN H H . . . 2 2 68 68 ASP H H . . . . . 3.00 1.8 3.3 . . . . . B . 67 ASN H . . B . 68 ASP H . B . 67 . HN . . . B . 68 . HN . . rr_2fyl 2 594 1 . . 2 2 67 67 ASN HA H . . . 2 2 67 67 ASN HD21 H . . . . . 4.00 1.8 5.0 . . . . . B . 67 ASN HA . . B . 67 ASN HD21 . B . 67 . HA . . . B . 67 . HD21 . . rr_2fyl 2 595 1 . . 2 2 67 67 ASN HA H . . . 2 2 67 67 ASN HD22 H . . . . . 4.00 1.8 5.0 . . . . . B . 67 ASN HA . . B . 67 ASN HD22 . B . 67 . HA . . . B . 67 . HD22 . . rr_2fyl 2 596 1 OR . 2 2 68 68 ASP H H . . . 2 2 68 68 ASP HB2 H . . . . . 2.40 1.8 2.7 . . . . . B . 68 ASP H . . B . 68 ASP HB2 . B . 68 . HN . . . B . 68 . HB# . . rr_2fyl 2 596 2 OR . 2 2 68 68 ASP H H . . . 2 2 68 68 ASP HB3 H . . . . . 2.40 1.8 2.7 . . . . . B . 68 ASP H . . B . 68 ASP HB3 . B . 68 . HN . . . B . 68 . HB# . . rr_2fyl 2 597 1 . . 2 2 71 71 CYS H H . . . 2 2 70 70 ASP H H . . . . . 4.00 1.8 5.0 . . . . . B . 71 CYS H . . B . 70 ASP H . B . 71 . HN . . . B . 70 . HN . . rr_2fyl 2 598 1 OR . 2 2 71 71 CYS HA H . . . 2 2 70 70 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 71 CYS HA . . B . 70 ASP HB2 . B . 71 . HA . . . B . 70 . HB# . . rr_2fyl 2 598 2 OR . 2 2 70 70 ASP HB3 H . . . 2 2 71 71 CYS HA H . . . . . 4.00 1.8 5.0 . . . . . B . 70 ASP HB3 . . B . 71 CYS HA . B . 70 . HB# . . . B . 71 . HA . . rr_2fyl 2 599 1 . . 2 2 71 71 CYS H H . . . 2 2 72 72 GLY H H . . . . . 4.00 1.8 5.0 . . . . . B . 71 CYS H . . B . 72 GLY H . B . 71 . HN . . . B . 72 . HN . . rr_2fyl 2 600 1 OR . 2 2 71 71 CYS H H . . . 2 2 72 72 GLY HA2 H . . . . . 4.50 1.8 6.0 . . . . . B . 71 CYS H . . B . 72 GLY HA2 . B . 71 . HN . . . B . 72 . HA# . . rr_2fyl 2 600 2 OR . 2 2 71 71 CYS H H . . . 2 2 72 72 GLY HA3 H . . . . . 4.50 1.8 6.0 . . . . . B . 71 CYS H . . B . 72 GLY HA3 . B . 71 . HN . . . B . 72 . HA# . . rr_2fyl 2 601 1 OR . 2 2 71 71 CYS H H . . . 2 2 75 75 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 71 CYS H . . B . 75 SER HB2 . B . 71 . HN . . . B . 75 . HB# . . rr_2fyl 2 601 2 OR . 2 2 75 75 SER HB3 H . . . 2 2 71 71 CYS H H . . . . . 4.00 1.8 5.0 . . . . . B . 75 SER HB3 . . B . 71 CYS H . B . 75 . HB# . . . B . 71 . HN . . rr_2fyl 2 602 1 . . 2 2 76 76 ASP H H . . . 2 2 71 71 CYS H H . . . . . 4.50 1.8 6.0 . . . . . B . 76 ASP H . . B . 71 CYS H . B . 76 . HN . . . B . 71 . HN . . rr_2fyl 2 603 1 OR . 2 2 72 72 GLY H H . . . 2 2 71 71 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 72 GLY H . . B . 71 CYS HB2 . B . 72 . HN . . . B . 71 . HB# . . rr_2fyl 2 603 2 OR . 2 2 72 72 GLY H H . . . 2 2 71 71 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 72 GLY H . . B . 71 CYS HB3 . B . 72 . HN . . . B . 71 . HB# . . rr_2fyl 2 604 1 OR . 2 2 73 73 ASP H H . . . 2 2 71 71 CYS HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 73 ASP H . . B . 71 CYS HB2 . B . 73 . HN . . . B . 71 . HB# . . rr_2fyl 2 604 2 OR . 2 2 73 73 ASP H H . . . 2 2 71 71 CYS HB3 H . . . . . 4.00 1.8 5.0 . . . . . B . 73 ASP H . . B . 71 CYS HB3 . B . 73 . HN . . . B . 71 . HB# . . rr_2fyl 2 605 1 OR . 2 2 74 74 ASN H H . . . 2 2 71 71 CYS HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 74 ASN H . . B . 71 CYS HB2 . B . 74 . HN . . . B . 71 . HB# . . rr_2fyl 2 605 2 OR . 2 2 71 71 CYS HB3 H . . . 2 2 74 74 ASN H H . . . . . 4.50 1.8 6.0 . . . . . B . 71 CYS HB3 . . B . 74 ASN H . B . 71 . HB# . . . B . 74 . HN . . rr_2fyl 2 606 1 . . 2 2 73 73 ASP H H . . . 2 2 72 72 GLY H H . . . . . 4.00 1.8 5.0 . . . . . B . 73 ASP H . . B . 72 GLY H . B . 73 . HN . . . B . 72 . HN . . rr_2fyl 2 607 1 . . 2 2 72 72 GLY H H . . . 2 2 74 74 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 72 GLY H . . B . 74 ASN H . B . 72 . HN . . . B . 74 . HN . . rr_2fyl 2 608 1 OR . 2 2 74 74 ASN H H . . . 2 2 72 72 GLY HA2 H . . . . . 4.00 1.8 5.0 . . . . . B . 74 ASN H . . B . 72 GLY HA2 . B . 74 . HN . . . B . 72 . HA# . . rr_2fyl 2 608 2 OR . 2 2 72 72 GLY HA3 H . . . 2 2 74 74 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 72 GLY HA3 . . B . 74 ASN H . B . 72 . HA# . . . B . 74 . HN . . rr_2fyl 2 609 1 . . 2 2 73 73 ASP H H . . . 2 2 74 74 ASN H H . . . . . 3.00 1.8 3.3 . . . . . B . 73 ASP H . . B . 74 ASN H . B . 73 . HN . . . B . 74 . HN . . rr_2fyl 2 610 1 . . 2 2 75 75 SER H H . . . 2 2 73 73 ASP H H . . . . . 4.50 1.8 6.0 . . . . . B . 75 SER H . . B . 73 ASP H . B . 75 . HN . . . B . 73 . HN . . rr_2fyl 2 611 1 . . 2 2 74 74 ASN H H . . . 2 2 74 74 ASN HA H . . . . . 2.40 1.8 2.7 . . . . . B . 74 ASN H . . B . 74 ASN HA . B . 74 . HN . . . B . 74 . HA . . rr_2fyl 2 612 1 . . 2 2 74 74 ASN H H . . . 2 2 74 74 ASN HD21 H . . . . . 4.00 1.8 5.0 . . . . . B . 74 ASN H . . B . 74 ASN HD21 . B . 74 . HN . . . B . 74 . HD21 . . rr_2fyl 2 613 1 . . 2 2 75 75 SER H H . . . 2 2 74 74 ASN H H . . . . . 4.00 1.8 5.0 . . . . . B . 75 SER H . . B . 74 ASN H . B . 75 . HN . . . B . 74 . HN . . rr_2fyl 2 614 1 OR . 2 2 74 74 ASN H H . . . 2 2 75 75 SER HB2 H . . . . . 4.50 1.8 6.0 . . . . . B . 74 ASN H . . B . 75 SER HB2 . B . 74 . HN . . . B . 75 . HB# . . rr_2fyl 2 614 2 OR . 2 2 75 75 SER HB3 H . . . 2 2 74 74 ASN H H . . . . . 4.50 1.8 6.0 . . . . . B . 75 SER HB3 . . B . 74 ASN H . B . 75 . HB# . . . B . 74 . HN . . rr_2fyl 2 615 1 . . 2 2 74 74 ASN HA H . . . 2 2 74 74 ASN HD21 H . . . . . 4.00 1.8 5.0 . . . . . B . 74 ASN HA . . B . 74 ASN HD21 . B . 74 . HA . . . B . 74 . HD21 . . rr_2fyl 2 616 1 . . 2 2 74 74 ASN HA H . . . 2 2 74 74 ASN HD22 H . . . . . 4.00 1.8 5.0 . . . . . B . 74 ASN HA . . B . 74 ASN HD22 . B . 74 . HA . . . B . 74 . HD22 . . rr_2fyl 2 617 1 . . 2 2 75 75 SER H H . . . 2 2 74 74 ASN HA H . . . . . 3.00 1.8 3.3 . . . . . B . 75 SER H . . B . 74 ASN HA . B . 75 . HN . . . B . 74 . HA . . rr_2fyl 2 618 1 . . 2 2 76 76 ASP H H . . . 2 2 75 75 SER H H . . . . . 4.00 1.8 5.0 . . . . . B . 76 ASP H . . B . 75 SER H . B . 76 . HN . . . B . 75 . HN . . rr_2fyl 2 619 1 . . 2 2 75 75 SER H H . . . 2 2 77 77 GLU H H . . . . . 4.50 1.8 6.0 . . . . . B . 75 SER H . . B . 77 GLU H . B . 75 . HN . . . B . 77 . HN . . rr_2fyl 2 620 1 . . 2 2 75 75 SER H H . . . 2 2 78 78 ALA MB H . . . . . 4.00 1.8 5.5 . . . . . B . 75 SER H . . B . 78 ALA MB . B . 75 . HN . . . B . 78 . HB# . . rr_2fyl 2 621 1 . . 2 2 76 76 ASP H H . . . 2 2 75 75 SER HA H . . . . . 3.00 1.8 3.3 . . . . . B . 76 ASP H . . B . 75 SER HA . B . 76 . HN . . . B . 75 . HA . . rr_2fyl 2 622 1 . . 2 2 75 75 SER HA H . . . 2 2 77 77 GLU H H . . . . . 4.00 1.8 5.0 . . . . . B . 75 SER HA . . B . 77 GLU H . B . 75 . HA . . . B . 77 . HN . . rr_2fyl 2 623 1 OR . 2 2 77 77 GLU H H . . . 2 2 75 75 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 77 GLU H . . B . 75 SER HB2 . B . 77 . HN . . . B . 75 . HB# . . rr_2fyl 2 623 2 OR . 2 2 75 75 SER HB3 H . . . 2 2 77 77 GLU H H . . . . . 4.00 1.8 5.0 . . . . . B . 75 SER HB3 . . B . 77 GLU H . B . 75 . HB# . . . B . 77 . HN . . rr_2fyl 2 624 1 OR . 2 2 78 78 ALA H H . . . 2 2 75 75 SER HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 78 ALA H . . B . 75 SER HB2 . B . 78 . HN . . . B . 75 . HB# . . rr_2fyl 2 624 2 OR . 2 2 75 75 SER HB3 H . . . 2 2 78 78 ALA H H . . . . . 4.00 1.8 5.0 . . . . . B . 75 SER HB3 . . B . 78 ALA H . B . 75 . HB# . . . B . 78 . HN . . rr_2fyl 2 625 1 OR . 2 2 78 78 ALA MB H . . . 2 2 75 75 SER HB2 H . . . . . 4.00 1.8 5.5 . . . . . B . 78 ALA MB . . B . 75 SER HB2 . B . 78 . HB# . . . B . 75 . HB# . . rr_2fyl 2 625 2 OR . 2 2 75 75 SER HB3 H . . . 2 2 78 78 ALA MB H . . . . . 4.00 1.8 5.5 . . . . . B . 75 SER HB3 . . B . 78 ALA MB . B . 75 . HB# . . . B . 78 . HB# . . rr_2fyl 2 626 1 . . 2 2 76 76 ASP H H . . . 2 2 77 77 GLU H H . . . . . 3.00 1.8 3.3 . . . . . B . 76 ASP H . . B . 77 GLU H . B . 76 . HN . . . B . 77 . HN . . rr_2fyl 2 627 1 . . 2 2 76 76 ASP H H . . . 2 2 78 78 ALA H H . . . . . 4.00 1.8 5.0 . . . . . B . 76 ASP H . . B . 78 ALA H . B . 76 . HN . . . B . 78 . HN . . rr_2fyl 2 628 1 OR . 2 2 76 76 ASP HB3 H . . . 2 2 77 77 GLU HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 76 ASP HB3 . . B . 77 GLU HG2 . B . 76 . HB# . . . B . 77 . HG# . . rr_2fyl 2 628 2 OR . 2 2 76 76 ASP HB2 H . . . 2 2 77 77 GLU HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 76 ASP HB2 . . B . 77 GLU HG2 . B . 76 . HB# . . . B . 77 . HG# . . rr_2fyl 2 628 3 OR . 2 2 77 77 GLU HG3 H . . . 2 2 76 76 ASP HB2 H . . . . . 4.00 1.8 5.0 . . . . . B . 77 GLU HG3 . . B . 76 ASP HB2 . B . 77 . HG# . . . B . 76 . HB# . . rr_2fyl 2 628 4 OR . 2 2 76 76 ASP HB3 H . . . 2 2 77 77 GLU HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 76 ASP HB3 . . B . 77 GLU HG3 . B . 76 . HB# . . . B . 77 . HG# . . rr_2fyl 2 629 1 OR . 2 2 77 77 GLU H H . . . 2 2 77 77 GLU HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 77 GLU H . . B . 77 GLU HG2 . B . 77 . HN . . . B . 77 . HG# . . rr_2fyl 2 629 2 OR . 2 2 77 77 GLU H H . . . 2 2 77 77 GLU HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 77 GLU H . . B . 77 GLU HG3 . B . 77 . HN . . . B . 77 . HG# . . rr_2fyl 2 630 1 . . 2 2 77 77 GLU H H . . . 2 2 78 78 ALA H H . . . . . 2.40 1.8 2.7 . . . . . B . 77 GLU H . . B . 78 ALA H . B . 77 . HN . . . B . 78 . HN . . rr_2fyl 2 631 1 . . 2 2 77 77 GLU H H . . . 2 2 78 78 ALA MB H . . . . . 4.00 1.8 5.5 . . . . . B . 77 GLU H . . B . 78 ALA MB . B . 77 . HN . . . B . 78 . HB# . . rr_2fyl 2 632 1 . . 2 2 78 78 ALA H H . . . 2 2 77 77 GLU HA H . . . . . 3.00 1.8 3.3 . . . . . B . 78 ALA H . . B . 77 GLU HA . B . 78 . HN . . . B . 77 . HA . . rr_2fyl 2 633 1 OR . 2 2 78 78 ALA H H . . . 2 2 77 77 GLU HG2 H . . . . . 4.00 1.8 5.0 . . . . . B . 78 ALA H . . B . 77 GLU HG2 . B . 78 . HN . . . B . 77 . HG# . . rr_2fyl 2 633 2 OR . 2 2 78 78 ALA H H . . . 2 2 77 77 GLU HG3 H . . . . . 4.00 1.8 5.0 . . . . . B . 78 ALA H . . B . 77 GLU HG3 . B . 78 . HN . . . B . 77 . HG# . . rr_2fyl 2 634 1 . . 2 2 82 82 HIS HA H . . . 2 2 82 82 HIS HD2 H . . . . . 4.00 1.8 5.0 . . . . . B . 82 HIS HA . . B . 82 HIS HD2 . B . 82 . HA . . . B . 82 . HD2 . . rr_2fyl 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 'HADDOCK AIR restraints for 4th molecule HADDOCK AIR restraints for 5th molecule HADDOCK AIR restraints for 6th molecule' 1 1 9 2 rr_2fyl 2 2 ; assign (resid 40 and segid B and name HN ) (resid 41 and segid B and name HN ) 4.0 2.2 1.0 assign (resid 40 and segid B and name HN ) (resid 41 and segid B and name HB# ) 4.0 2.2 1.5 assign (resid 40 and segid B and name HA ) (resid 41 and segid B and name HB# ) 4.0 2.2 1.5 assign (resid 40 and segid B and name HB# ) (resid 41 and segid B and name HN ) 4.0 2.2 1.0 assign (resid 40 and segid B and name HB# ) (resid 41 and segid B and name HB# ) 4.0 2.2 1.5 assign (resid 42 and segid B and name HN ) (resid 42 and segid B and name HE# ) 4.0 2.2 1.0 assign (resid 42 and segid B and name HN ) (resid 43 and segid B and name HD# ) 4.0 2.2 1.0 assign (resid 42 and segid B and name HB# ) (resid 43 and segid B and name HD# ) 4.0 2.2 1.0 assign (resid 42 and segid B and name HB# ) (resid 44 and segid B and name HN ) 4.0 2.2 1.0 assign (resid 42 and segid B and name HD# ) (resid 43 and segid B and name HD# ) 4.0 2.2 1.0 assign (resid 42 and segid B and name HD# ) (resid 44 and segid B and name HN ) 4.0 2.2 1.0 assign (resid 42 and segid B and name HD# ) (resid 45 and segid B and name HN ) 4.0 2.2 1.0 ; 296 1 307 93 rr_2fyl 2 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_2fyl _Gen_dist_constraint_list.ID 3 _Gen_dist_constraint_list.Constraint_type 'general distance' _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_2fyl 3 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 . . 2 2 22 22 TRP O O . . . 2 2 25 25 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 22 TRP O . . B . 25 ASP OD1 . B . 22 . O . . . B . 25 . OD1 . . rr_2fyl 3 2 1 . . 2 2 22 22 TRP O O . . . 2 2 27 27 ASP O O . . . . . 6.98 3.78 7.98 . . . . . B . 22 TRP O . . B . 27 ASP O . B . 22 . O . . . B . 27 . O . . rr_2fyl 3 3 1 . . 2 2 22 22 TRP O O . . . 2 2 29 29 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 22 TRP O . . B . 29 ASP OD1 . B . 22 . O . . . B . 29 . OD1 . . rr_2fyl 3 4 1 . . 2 2 22 22 TRP O O . . . 2 2 35 35 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 22 TRP O . . B . 35 ASP OD1 . B . 22 . O . . . B . 35 . OD1 . . rr_2fyl 3 5 1 . . 2 2 22 22 TRP O O . . . 2 2 36 36 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 22 TRP O . . B . 36 GLU OE1 . B . 22 . O . . . B . 36 . OE1 . . rr_2fyl 3 6 1 . . 2 2 25 25 ASP OD1 O . . . 2 2 27 27 ASP O O . . . . . 4.94 1.80 5.94 . . . . . B . 25 ASP OD1 . . B . 27 ASP O . B . 25 . OD1 . . . B . 27 . O . . rr_2fyl 3 7 1 . . 2 2 25 25 ASP OD1 O . . . 2 2 29 29 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 25 ASP OD1 . . B . 29 ASP OD1 . B . 25 . OD1 . . . B . 29 . OD1 . . rr_2fyl 3 8 1 . . 2 2 25 25 ASP OD1 O . . . 2 2 35 35 ASP OD1 O . . . . . 6.98 3.78 7.98 . . . . . B . 25 ASP OD1 . . B . 35 ASP OD1 . B . 25 . OD1 . . . B . 35 . OD1 . . rr_2fyl 3 9 1 . . 2 2 25 25 ASP OD1 O . . . 2 2 36 36 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 25 ASP OD1 . . B . 36 GLU OE1 . B . 25 . OD1 . . . B . 36 . OE1 . . rr_2fyl 3 10 1 . . 2 2 27 27 ASP O O . . . 2 2 29 29 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 27 ASP O . . B . 29 ASP OD1 . B . 27 . O . . . B . 29 . OD1 . . rr_2fyl 3 11 1 . . 2 2 27 27 ASP O O . . . 2 2 35 35 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 27 ASP O . . B . 35 ASP OD1 . B . 27 . O . . . B . 35 . OD1 . . rr_2fyl 3 12 1 . . 2 2 27 27 ASP O O . . . 2 2 36 36 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 27 ASP O . . B . 36 GLU OE1 . B . 27 . O . . . B . 36 . OE1 . . rr_2fyl 3 13 1 . . 2 2 29 29 ASP OD1 O . . . 2 2 35 35 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 29 ASP OD1 . . B . 35 ASP OD1 . B . 29 . OD1 . . . B . 35 . OD1 . . rr_2fyl 3 14 1 . . 2 2 29 29 ASP OD1 O . . . 2 2 36 36 GLU OE1 O . . . . . 6.98 3.78 7.98 . . . . . B . 29 ASP OD1 . . B . 36 GLU OE1 . B . 29 . OD1 . . . B . 36 . OE1 . . rr_2fyl 3 15 1 . . 2 2 35 35 ASP OD1 O . . . 2 2 36 36 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 35 ASP OD1 . . B . 36 GLU OE1 . B . 35 . OD1 . . . B . 36 . OE1 . . rr_2fyl 3 16 1 . . 2 2 63 63 TRP O O . . . 2 2 66 66 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 63 TRP O . . B . 66 ASP OD1 . B . 63 . O . . . B . 66 . OD1 . . rr_2fyl 3 17 1 . . 2 2 63 63 TRP O O . . . 2 2 68 68 ASP O O . . . . . 6.98 3.78 7.98 . . . . . B . 63 TRP O . . B . 68 ASP O . B . 63 . O . . . B . 68 . O . . rr_2fyl 3 18 1 . . 2 2 63 63 TRP O O . . . 2 2 70 70 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 63 TRP O . . B . 70 ASP OD1 . B . 63 . O . . . B . 70 . OD1 . . rr_2fyl 3 19 1 . . 2 2 63 63 TRP O O . . . 2 2 76 76 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 63 TRP O . . B . 76 ASP OD1 . B . 63 . O . . . B . 76 . OD1 . . rr_2fyl 3 20 1 . . 2 2 63 63 TRP O O . . . 2 2 77 77 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 63 TRP O . . B . 77 GLU OE1 . B . 63 . O . . . B . 77 . OE1 . . rr_2fyl 3 21 1 . . 2 2 66 66 ASP OD1 O . . . 2 2 68 68 ASP O O . . . . . 4.94 1.80 5.94 . . . . . B . 66 ASP OD1 . . B . 68 ASP O . B . 66 . OD1 . . . B . 68 . O . . rr_2fyl 3 22 1 . . 2 2 66 66 ASP OD1 O . . . 2 2 70 70 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 66 ASP OD1 . . B . 70 ASP OD1 . B . 66 . OD1 . . . B . 70 . OD1 . . rr_2fyl 3 23 1 . . 2 2 66 66 ASP OD1 O . . . 2 2 76 76 ASP OD1 O . . . . . 6.98 3.78 7.98 . . . . . B . 66 ASP OD1 . . B . 76 ASP OD1 . B . 66 . OD1 . . . B . 76 . OD1 . . rr_2fyl 3 24 1 . . 2 2 66 66 ASP OD1 O . . . 2 2 77 77 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 66 ASP OD1 . . B . 77 GLU OE1 . B . 66 . OD1 . . . B . 77 . OE1 . . rr_2fyl 3 25 1 . . 2 2 68 68 ASP O O . . . 2 2 70 70 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 68 ASP O . . B . 70 ASP OD1 . B . 68 . O . . . B . 70 . OD1 . . rr_2fyl 3 26 1 . . 2 2 68 68 ASP O O . . . 2 2 76 76 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 68 ASP O . . B . 76 ASP OD1 . B . 68 . O . . . B . 76 . OD1 . . rr_2fyl 3 27 1 . . 2 2 68 68 ASP O O . . . 2 2 77 77 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 68 ASP O . . B . 77 GLU OE1 . B . 68 . O . . . B . 77 . OE1 . . rr_2fyl 3 28 1 . . 2 2 70 70 ASP OD1 O . . . 2 2 76 76 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 70 ASP OD1 . . B . 76 ASP OD1 . B . 70 . OD1 . . . B . 76 . OD1 . . rr_2fyl 3 29 1 . . 2 2 70 70 ASP OD1 O . . . 2 2 77 77 GLU OE1 O . . . . . 6.98 3.78 7.98 . . . . . B . 70 ASP OD1 . . B . 77 GLU OE1 . B . 70 . OD1 . . . B . 77 . OE1 . . rr_2fyl 3 30 1 . . 2 2 76 76 ASP OD1 O . . . 2 2 77 77 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 76 ASP OD1 . . B . 77 GLU OE1 . B . 76 . OD1 . . . B . 77 . OE1 . . rr_2fyl 3 31 1 . . 2 2 22 22 TRP O O . . . 2 2 25 25 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 22 TRP O . . B . 25 ASP OD1 . B . 22 . O . . . B . 25 . OD1 . . rr_2fyl 3 32 1 . . 2 2 22 22 TRP O O . . . 2 2 27 27 ASP O O . . . . . 6.98 3.78 7.98 . . . . . B . 22 TRP O . . B . 27 ASP O . B . 22 . O . . . B . 27 . O . . rr_2fyl 3 33 1 . . 2 2 22 22 TRP O O . . . 2 2 29 29 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 22 TRP O . . B . 29 ASP OD1 . B . 22 . O . . . B . 29 . OD1 . . rr_2fyl 3 34 1 . . 2 2 22 22 TRP O O . . . 2 2 35 35 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 22 TRP O . . B . 35 ASP OD1 . B . 22 . O . . . B . 35 . OD1 . . rr_2fyl 3 35 1 . . 2 2 22 22 TRP O O . . . 2 2 36 36 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 22 TRP O . . B . 36 GLU OE1 . B . 22 . O . . . B . 36 . OE1 . . rr_2fyl 3 36 1 . . 2 2 25 25 ASP OD1 O . . . 2 2 27 27 ASP O O . . . . . 4.94 1.80 5.94 . . . . . B . 25 ASP OD1 . . B . 27 ASP O . B . 25 . OD1 . . . B . 27 . O . . rr_2fyl 3 37 1 . . 2 2 25 25 ASP OD1 O . . . 2 2 29 29 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 25 ASP OD1 . . B . 29 ASP OD1 . B . 25 . OD1 . . . B . 29 . OD1 . . rr_2fyl 3 38 1 . . 2 2 25 25 ASP OD1 O . . . 2 2 35 35 ASP OD1 O . . . . . 6.98 3.78 7.98 . . . . . B . 25 ASP OD1 . . B . 35 ASP OD1 . B . 25 . OD1 . . . B . 35 . OD1 . . rr_2fyl 3 39 1 . . 2 2 25 25 ASP OD1 O . . . 2 2 36 36 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 25 ASP OD1 . . B . 36 GLU OE1 . B . 25 . OD1 . . . B . 36 . OE1 . . rr_2fyl 3 40 1 . . 2 2 27 27 ASP O O . . . 2 2 29 29 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 27 ASP O . . B . 29 ASP OD1 . B . 27 . O . . . B . 29 . OD1 . . rr_2fyl 3 41 1 . . 2 2 27 27 ASP O O . . . 2 2 35 35 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 27 ASP O . . B . 35 ASP OD1 . B . 27 . O . . . B . 35 . OD1 . . rr_2fyl 3 42 1 . . 2 2 27 27 ASP O O . . . 2 2 36 36 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 27 ASP O . . B . 36 GLU OE1 . B . 27 . O . . . B . 36 . OE1 . . rr_2fyl 3 43 1 . . 2 2 29 29 ASP OD1 O . . . 2 2 35 35 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 29 ASP OD1 . . B . 35 ASP OD1 . B . 29 . OD1 . . . B . 35 . OD1 . . rr_2fyl 3 44 1 . . 2 2 29 29 ASP OD1 O . . . 2 2 36 36 GLU OE1 O . . . . . 6.98 3.78 7.98 . . . . . B . 29 ASP OD1 . . B . 36 GLU OE1 . B . 29 . OD1 . . . B . 36 . OE1 . . rr_2fyl 3 45 1 . . 2 2 35 35 ASP OD1 O . . . 2 2 36 36 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 35 ASP OD1 . . B . 36 GLU OE1 . B . 35 . OD1 . . . B . 36 . OE1 . . rr_2fyl 3 46 1 . . 2 2 63 63 TRP O O . . . 2 2 66 66 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 63 TRP O . . B . 66 ASP OD1 . B . 63 . O . . . B . 66 . OD1 . . rr_2fyl 3 47 1 . . 2 2 63 63 TRP O O . . . 2 2 68 68 ASP O O . . . . . 6.98 3.78 7.98 . . . . . B . 63 TRP O . . B . 68 ASP O . B . 63 . O . . . B . 68 . O . . rr_2fyl 3 48 1 . . 2 2 63 63 TRP O O . . . 2 2 70 70 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 63 TRP O . . B . 70 ASP OD1 . B . 63 . O . . . B . 70 . OD1 . . rr_2fyl 3 49 1 . . 2 2 63 63 TRP O O . . . 2 2 76 76 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 63 TRP O . . B . 76 ASP OD1 . B . 63 . O . . . B . 76 . OD1 . . rr_2fyl 3 50 1 . . 2 2 63 63 TRP O O . . . 2 2 77 77 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 63 TRP O . . B . 77 GLU OE1 . B . 63 . O . . . B . 77 . OE1 . . rr_2fyl 3 51 1 . . 2 2 66 66 ASP OD1 O . . . 2 2 68 68 ASP O O . . . . . 4.94 1.80 5.94 . . . . . B . 66 ASP OD1 . . B . 68 ASP O . B . 66 . OD1 . . . B . 68 . O . . rr_2fyl 3 52 1 . . 2 2 66 66 ASP OD1 O . . . 2 2 70 70 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 66 ASP OD1 . . B . 70 ASP OD1 . B . 66 . OD1 . . . B . 70 . OD1 . . rr_2fyl 3 53 1 . . 2 2 66 66 ASP OD1 O . . . 2 2 76 76 ASP OD1 O . . . . . 6.98 3.78 7.98 . . . . . B . 66 ASP OD1 . . B . 76 ASP OD1 . B . 66 . OD1 . . . B . 76 . OD1 . . rr_2fyl 3 54 1 . . 2 2 66 66 ASP OD1 O . . . 2 2 77 77 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 66 ASP OD1 . . B . 77 GLU OE1 . B . 66 . OD1 . . . B . 77 . OE1 . . rr_2fyl 3 55 1 . . 2 2 68 68 ASP O O . . . 2 2 70 70 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 68 ASP O . . B . 70 ASP OD1 . B . 68 . O . . . B . 70 . OD1 . . rr_2fyl 3 56 1 . . 2 2 68 68 ASP O O . . . 2 2 76 76 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 68 ASP O . . B . 76 ASP OD1 . B . 68 . O . . . B . 76 . OD1 . . rr_2fyl 3 57 1 . . 2 2 68 68 ASP O O . . . 2 2 77 77 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 68 ASP O . . B . 77 GLU OE1 . B . 68 . O . . . B . 77 . OE1 . . rr_2fyl 3 58 1 . . 2 2 70 70 ASP OD1 O . . . 2 2 76 76 ASP OD1 O . . . . . 4.94 1.80 5.94 . . . . . B . 70 ASP OD1 . . B . 76 ASP OD1 . B . 70 . OD1 . . . B . 76 . OD1 . . rr_2fyl 3 59 1 . . 2 2 70 70 ASP OD1 O . . . 2 2 77 77 GLU OE1 O . . . . . 6.98 3.78 7.98 . . . . . B . 70 ASP OD1 . . B . 77 GLU OE1 . B . 70 . OD1 . . . B . 77 . OE1 . . rr_2fyl 3 60 1 . . 2 2 76 76 ASP OD1 O . . . 2 2 77 77 GLU OE1 O . . . . . 4.94 1.80 5.94 . . . . . B . 76 ASP OD1 . . B . 77 GLU OE1 . B . 76 . OD1 . . . B . 77 . OE1 . . rr_2fyl 3 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 'site 1' 1 1 1 9 rr_2fyl 3 2 'site 2' 17 1 17 9 rr_2fyl 3 3 ; Calcium restraints for CR56 site 1 (CR5) ; 33 1 34 14 rr_2fyl 3 4 'site 2 (CR6)' 41 1 41 14 rr_2fyl 3 5 'site 1' 48 1 48 9 rr_2fyl 3 6 'site 2' 64 1 64 9 rr_2fyl 3 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 4 31 1 "Not handling restraint 31, item 1, resonance(s) 'B.83.CA+2' (nmrStar names) not linked" rr_2fyl 3 2 4 32 1 "Not handling restraint 32, item 1, resonance(s) 'B.83.CA+2' (nmrStar names) not linked" rr_2fyl 3 3 4 33 1 "Not handling restraint 33, item 1, resonance(s) 'B.83.CA+2' (nmrStar names) not linked" rr_2fyl 3 4 4 34 1 "Not handling restraint 34, item 1, resonance(s) 'B.83.CA+2' (nmrStar names) not linked" rr_2fyl 3 5 4 35 1 "Not handling restraint 35, item 1, resonance(s) 'B.83.CA+2' (nmrStar names) not linked" rr_2fyl 3 6 4 36 1 "Not handling restraint 36, item 1, resonance(s) 'B.83.CA+2' (nmrStar names) not linked" rr_2fyl 3 7 4 37 1 "Not handling restraint 37, item 1, resonance(s) 'B.84.CA+2' (nmrStar names) not linked" rr_2fyl 3 8 4 38 1 "Not handling restraint 38, item 1, resonance(s) 'B.84.CA+2' (nmrStar names) not linked" rr_2fyl 3 9 4 39 1 "Not handling restraint 39, item 1, resonance(s) 'B.84.CA+2' (nmrStar names) not linked" rr_2fyl 3 10 4 40 1 "Not handling restraint 40, item 1, resonance(s) 'B.84.CA+2' (nmrStar names) not linked" rr_2fyl 3 11 4 41 1 "Not handling restraint 41, item 1, resonance(s) 'B.84.CA+2' (nmrStar names) not linked" rr_2fyl 3 12 4 42 1 "Not handling restraint 42, item 1, resonance(s) 'B.84.CA+2' (nmrStar names) not linked" rr_2fyl 3 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_2fyl _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 SURFACE ACTIVE PROTEIN 08-FEB-06 2FYL *TITLE HADDOCK MODEL OF THE COMPLEX BETWEEN DOUBLE MODULE OF LRP, *TITLE 2 CR56, AND FIRST DOMAIN OF RECEPTOR ASSOCIATED PROTEIN, RAP- *TITLE 3 D1. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-2-MACROGLOBULIN RECEPTOR-ASSOCIATED *COMPND 3 PROTEIN; *COMPND 4 CHAIN: A; *COMPND 5 FRAGMENT: RAPD1; *COMPND 6 SYNONYM: ALPHA-2- MRAP, LOW DENSITY LIPOPROTEIN RECEPTOR- *COMPND 7 RELATED PROTEIN-ASSOCIATED PROTEIN 1, RAP; *COMPND 8 ENGINEERED: YES; *COMPND 9 MOL_ID: 2; *COMPND 10 MOLECULE: LOW-DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN *COMPND 11 1; *COMPND 12 CHAIN: B; *COMPND 13 FRAGMENT: CR56; *COMPND 14 SYNONYM: LRP, ALPHA-2-MACROGLOBULIN RECEPTOR; *COMPND 15 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 GENE: LRPAP1, A2MRAP; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 7 MOL_ID: 2; *SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 9 ORGANISM_COMMON: HUMAN; *SOURCE 10 GENE: LRP1; *SOURCE 11 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 12 EXPRESSION_SYSTEM_COMMON: BACTERIA *KEYWDS COMPLEX, SHIFT-MAPPING, HADDOCK, NMR, INTERFACE *EXPDTA NMR *AUTHOR G.A.JENSEN, O.M.ANDERSEN, A.M.BONVIN, I.BJERRUM-BOHR, *AUTHOR 2 M.ETZERODT, C.O'SHEA, F.M.POULSEN, B.B.KRAGELUND *REVDAT 1 10-OCT-06 2FYL 0" save_