data_c30357_6ben ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30357_6ben _Entry.Title ; Solution structure of de novo macrocycle design8.2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-25 _Entry.Accession_date 2017-10-25 _Entry.Last_release_date 2017-12-21 _Entry.Original_release_date 2017-12-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.10 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Shortridge M. D. . . c30357_6ben 2 P. Hosseinzadeh P. . . . c30357_6ben 3 F. Pardo-Avila F. . . . c30357_6ben 4 G. Varani G. . . . c30357_6ben 5 B. Baker B. . . . c30357_6ben stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . c30357_6ben 'de novo' . c30357_6ben macrocycle . c30357_6ben stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30357_6ben stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 9 c30357_6ben '1H chemical shifts' 56 c30357_6ben stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-12-26 . original BMRB . c30357_6ben stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BEN 'BMRB Entry Tracking System' c30357_6ben stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30357_6ben _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1126/science.aap7577 _Citation.PubMed_ID 29242347 _Citation.Full_citation . _Citation.Title ; Comprehensive computational design of ordered peptide macrocycles. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 358 _Citation.Journal_issue 6369 _Citation.Journal_ASTM SCIEAS _Citation.Journal_ISSN 1095-9203 _Citation.Journal_CSD 0038 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1461 _Citation.Page_last 1466 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Hosseinzadeh P. . . . c30357_6ben 1 2 G. Bhardwaj G. . . . c30357_6ben 1 3 V. Mulligan V. K. . . c30357_6ben 1 4 M. Shortridge M. D. . . c30357_6ben 1 5 T. Craven T. W. . . c30357_6ben 1 6 F. Pardo-Avila F. . . . c30357_6ben 1 7 S. Rettie S. A. . . c30357_6ben 1 8 D. Kim D. E. . . c30357_6ben 1 9 D. Silva D. A. . . c30357_6ben 1 10 Y. Ibrahim Y. M. . . c30357_6ben 1 11 I. Webb I. K. . . c30357_6ben 1 12 J. Cort J. R. . . c30357_6ben 1 13 J. Adkins J. N. . . c30357_6ben 1 14 G. Varani G. . . . c30357_6ben 1 15 D. Baker D. . . . c30357_6ben 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30357_6ben _Assembly.ID 1 _Assembly.Name (DAR)Q(DPR)(DGN)R(DGL)PQ _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 entity_1 1 $entity_1 A A yes . . . . . . c30357_6ben 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30357_6ben _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XQXXRXPQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1040.133 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . DAR . c30357_6ben 1 2 . GLN . c30357_6ben 1 3 . DPR . c30357_6ben 1 4 . DGN . c30357_6ben 1 5 . ARG . c30357_6ben 1 6 . DGL . c30357_6ben 1 7 . PRO . c30357_6ben 1 8 . GLN . c30357_6ben 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 . DAR 1 1 c30357_6ben 1 . GLN 2 2 c30357_6ben 1 . DPR 3 3 c30357_6ben 1 . DGN 4 4 c30357_6ben 1 . ARG 5 5 c30357_6ben 1 . DGL 6 6 c30357_6ben 1 . PRO 7 7 c30357_6ben 1 . GLN 8 8 c30357_6ben 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c30357_6ben _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c30357_6ben 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c30357_6ben _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30357_6ben 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DPR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPR _Chem_comp.Entry_ID c30357_6ben _Chem_comp.ID DPR _Chem_comp.Provenance PDB _Chem_comp.Name D-PROLINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DPR _Chem_comp.PDB_code DPR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code P _Chem_comp.Three_letter_code DPR _Chem_comp.Number_atoms_all 17 _Chem_comp.Number_atoms_nh 8 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O2' _Chem_comp.Formula_weight 115.130 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1CC(NC1)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.0 c30357_6ben DPR C1C[C@@H](NC1)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30357_6ben DPR InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 InChI InChI 1.03 c30357_6ben DPR O=C(O)C1NCCC1 SMILES ACDLabs 12.01 c30357_6ben DPR OC(=O)[C@H]1CCCN1 SMILES_CANONICAL CACTVS 3.370 c30357_6ben DPR OC(=O)[CH]1CCCN1 SMILES CACTVS 3.370 c30357_6ben DPR ONIBWKKTOPOVIA-SCSAIBSYSA-N InChIKey InChI 1.03 c30357_6ben DPR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-pyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c30357_6ben DPR D-proline 'SYSTEMATIC NAME' ACDLabs 12.01 c30357_6ben DPR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . -4.206 . 7.451 . -17.843 . 0.814 0.974 0.670 1 . c30357_6ben DPR CA CA CA CA . C . . R 0 . . . 1 no no . . . . -3.893 . 8.671 . -18.566 . -0.014 -0.244 0.598 2 . c30357_6ben DPR CB CB CB CB . C . . N 0 . . . 1 no no . . . . -5.242 . 9.255 . -18.952 . 0.728 -1.247 -0.310 3 . c30357_6ben DPR CG CG CG CG . C . . N 0 . . . 1 no no . . . . -6.239 . 8.113 . -18.840 . 2.199 -0.759 -0.242 4 . c30357_6ben DPR CD CD CD CD . C . . N 0 . . . 1 no no . . . . -5.571 . 6.986 . -18.070 . 2.016 0.777 -0.168 5 . c30357_6ben DPR C C C C . C . . N 0 . . . 1 no no . . . . -2.999 . 8.379 . -19.774 . -1.360 0.086 0.006 6 . c30357_6ben DPR O O O O . O . . N 0 . . . 1 no no . . . . -3.431 . 7.734 . -20.727 . -1.509 1.105 -0.626 7 . c30357_6ben DPR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -2.393 -0.753 0.180 8 . c30357_6ben DPR H H H HT1 . H . . N 0 . . . 1 no yes . . . . -3.576 . 6.736 . -18.147 . 0.293 1.784 0.370 9 . c30357_6ben DPR HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.318 . 9.388 . -17.962 . -0.138 -0.667 1.595 10 . c30357_6ben DPR HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . -5.517 . 10.078 . -18.276 . 0.639 -2.260 0.083 11 . c30357_6ben DPR HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . -5.215 . 9.648 . -19.979 . 0.351 -1.194 -1.331 12 . c30357_6ben DPR HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . -7.140 . 8.451 . -18.307 . 2.695 -1.137 0.653 13 . c30357_6ben DPR HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . -6.527 . 7.765 . -19.843 . 2.747 -1.045 -1.140 14 . c30357_6ben DPR HD2 HD2 HD2 HD1 . H . . N 0 . . . 1 no no . . . . -5.580 . 6.051 . -18.650 . 1.855 1.188 -1.165 15 . c30357_6ben DPR HD3 HD3 HD3 HD2 . H . . N 0 . . . 1 no no . . . . -6.088 . 6.796 . -17.118 . 2.885 1.241 0.299 16 . c30357_6ben DPR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . -3.237 -0.500 -0.219 17 . c30357_6ben DPR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c30357_6ben DPR 2 . SING N CD no N 2 . c30357_6ben DPR 3 . SING N H no N 3 . c30357_6ben DPR 4 . SING CA CB no N 4 . c30357_6ben DPR 5 . SING CA C no N 5 . c30357_6ben DPR 6 . SING CA HA no N 6 . c30357_6ben DPR 7 . SING CB CG no N 7 . c30357_6ben DPR 8 . SING CB HB2 no N 8 . c30357_6ben DPR 9 . SING CB HB3 no N 9 . c30357_6ben DPR 10 . SING CG CD no N 10 . c30357_6ben DPR 11 . SING CG HG2 no N 11 . c30357_6ben DPR 12 . SING CG HG3 no N 12 . c30357_6ben DPR 13 . SING CD HD2 no N 13 . c30357_6ben DPR 14 . SING CD HD3 no N 14 . c30357_6ben DPR 15 . DOUB C O no N 15 . c30357_6ben DPR 16 . SING C OXT no N 16 . c30357_6ben DPR 17 . SING OXT HXT no N 17 . c30357_6ben DPR stop_ save_ save_chem_comp_DGL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DGL _Chem_comp.Entry_ID c30357_6ben _Chem_comp.ID DGL _Chem_comp.Provenance PDB _Chem_comp.Name 'D-GLUTAMIC ACID' _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DGL _Chem_comp.PDB_code DGL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code E _Chem_comp.Three_letter_code DGL _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 10 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O4' _Chem_comp.Formula_weight 147.129 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CZQ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CC(=O)O)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.0 c30357_6ben DGL C(CC(=O)O)[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30357_6ben DGL InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 InChI InChI 1.03 c30357_6ben DGL N[C@H](CCC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.370 c30357_6ben DGL N[CH](CCC(O)=O)C(O)=O SMILES CACTVS 3.370 c30357_6ben DGL O=C(O)C(N)CCC(=O)O SMILES ACDLabs 12.01 c30357_6ben DGL WHUUTDBJXJRKMK-GSVOUGTGSA-N InChIKey InChI 1.03 c30357_6ben DGL stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2-azanylpentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c30357_6ben DGL 'D-glutamic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 c30357_6ben DGL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 15.813 . -4.736 . 28.474 . -1.198 1.861 -0.122 1 . c30357_6ben DGL CA CA CA CA . C . . R 0 . . . 1 no no . . . . 14.782 . -5.702 . 28.834 . -1.130 0.510 0.451 2 . c30357_6ben DGL C C C C . C . . N 0 . . . 1 no no . . . . 14.875 . -6.180 . 30.276 . -2.352 -0.272 0.040 3 . c30357_6ben DGL O O O O . O . . N 0 . . . 1 no no . . . . 14.832 . -7.381 . 30.553 . -2.999 0.079 -0.918 4 . c30357_6ben DGL CB CB CB CB . C . . N 0 . . . 1 no no . . . . 13.397 . -5.090 . 28.574 . 0.125 -0.199 -0.062 5 . c30357_6ben DGL CG CG CG CG . C . . N 0 . . . 1 no no . . . . 13.060 . -4.844 . 27.093 . 1.368 0.525 0.460 6 . c30357_6ben DGL CD CD CD CD . C . . N 0 . . . 1 no no . . . . 13.663 . -3.568 . 26.500 . 2.605 -0.173 -0.045 7 . c30357_6ben DGL OE1 OE1 OE1 OE1 . O . . N 0 . . . 1 no no . . . . 14.422 . -2.859 . 27.182 . 2.502 -1.149 -0.750 8 . c30357_6ben DGL OE2 OE2 OE2 OE2 . O . . N 0 . . . 1 no no . . . . 13.367 . -3.264 . 25.323 . 3.820 0.290 0.289 9 . c30357_6ben DGL OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 15.022 . -5.237 . 31.196 . -2.720 -1.357 0.738 10 . c30357_6ben DGL H H H H . H . . N 0 . . . 1 no no . . . . 15.696 . -4.464 . 27.519 . -1.236 1.826 -1.129 11 . c30357_6ben DGL H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 15.735 . -3.931 . 29.062 . -1.984 2.373 0.252 12 . c30357_6ben DGL HA HA HA HA . H . . N 0 . . . 1 no no . . . . 14.940 . -6.589 . 28.203 . -1.091 0.577 1.538 13 . c30357_6ben DGL HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . 12.645 . -5.785 . 28.976 . 0.130 -1.230 0.291 14 . c30357_6ben DGL HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . 13.359 . -4.119 . 29.090 . 0.129 -0.188 -1.152 15 . c30357_6ben DGL HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . 13.446 . -5.697 . 26.516 . 1.363 1.556 0.107 16 . c30357_6ben DGL HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . 11.966 . -4.769 . 27.006 . 1.364 0.514 1.550 17 . c30357_6ben DGL HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 13.804 . -2.455 . 25.085 . 4.583 -0.191 -0.059 18 . c30357_6ben DGL HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 15.084 . -5.639 . 32.055 . -3.510 -1.826 0.436 19 . c30357_6ben DGL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c30357_6ben DGL 2 . SING N H no N 2 . c30357_6ben DGL 3 . SING N H2 no N 3 . c30357_6ben DGL 4 . SING CA C no N 4 . c30357_6ben DGL 5 . SING CA CB no N 5 . c30357_6ben DGL 6 . SING CA HA no N 6 . c30357_6ben DGL 7 . DOUB C O no N 7 . c30357_6ben DGL 8 . SING C OXT no N 8 . c30357_6ben DGL 9 . SING CB CG no N 9 . c30357_6ben DGL 10 . SING CB HB2 no N 10 . c30357_6ben DGL 11 . SING CB HB3 no N 11 . c30357_6ben DGL 12 . SING CG CD no N 12 . c30357_6ben DGL 13 . SING CG HG2 no N 13 . c30357_6ben DGL 14 . SING CG HG3 no N 14 . c30357_6ben DGL 15 . DOUB CD OE1 no N 15 . c30357_6ben DGL 16 . SING CD OE2 no N 16 . c30357_6ben DGL 17 . SING OE2 HE2 no N 17 . c30357_6ben DGL 18 . SING OXT HXT no N 18 . c30357_6ben DGL stop_ save_ save_chem_comp_DGN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DGN _Chem_comp.Entry_ID c30357_6ben _Chem_comp.ID DGN _Chem_comp.Provenance PDB _Chem_comp.Name D-GLUTAMINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DGN _Chem_comp.PDB_code DGN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Q _Chem_comp.Three_letter_code DGN _Chem_comp.Number_atoms_all 20 _Chem_comp.Number_atoms_nh 10 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H10 N2 O3' _Chem_comp.Formula_weight 146.144 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B74 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CC(=O)N)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30357_6ben DGN C(CC(=O)N)[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30357_6ben DGN InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1 InChI InChI 1.03 c30357_6ben DGN N[C@H](CCC(N)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30357_6ben DGN N[CH](CCC(N)=O)C(O)=O SMILES CACTVS 3.341 c30357_6ben DGN O=C(N)CCC(N)C(=O)O SMILES ACDLabs 10.04 c30357_6ben DGN ZDXPYRJPNDTMRX-GSVOUGTGSA-N InChIKey InChI 1.03 c30357_6ben DGN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2,5-diamino-5-oxo-pentanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30357_6ben DGN D-glutamine 'SYSTEMATIC NAME' ACDLabs 10.04 c30357_6ben DGN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 22.834 . 33.480 . 29.804 . 1.852 -0.150 -1.124 1 . c30357_6ben DGN CA CA CA CA . C . . R 0 . . . 1 no no . . . . 22.324 . 33.590 . 28.511 . 0.511 0.450 -1.103 2 . c30357_6ben DGN C C C C . C . . N 0 . . . 1 no no . . . . 21.840 . 32.263 . 28.066 . -0.249 0.021 -2.330 3 . c30357_6ben DGN O O O O . O . . N 0 . . . 1 no no . . . . 21.313 . 32.123 . 26.945 . -0.022 -1.050 -2.839 4 . c30357_6ben DGN OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 21.973 . 31.279 . 28.810 . -1.180 0.831 -2.859 5 . c30357_6ben DGN CB CB CB CB . C . . N 0 . . . 1 no no . . . . 21.251 . 34.601 . 28.529 . -0.235 -0.013 0.148 6 . c30357_6ben DGN CG CG CG CG . C . . N 0 . . . 1 no no . . . . 21.763 . 35.903 . 29.131 . 0.537 0.421 1.394 7 . c30357_6ben DGN CD CD CD CD . C . . N 0 . . . 1 no no . . . . 20.648 . 36.832 . 29.130 . -0.198 -0.035 2.627 8 . c30357_6ben DGN OE1 OE1 OE1 OE1 . O . . N 0 . . . 1 no no . . . . 19.488 . 36.396 . 28.937 . -1.238 -0.649 2.520 9 . c30357_6ben DGN NE2 NE2 NE2 NE2 . N . . N 0 . . . 1 no no . . . . 21.012 . 38.127 . 29.358 . 0.299 0.237 3.850 10 . c30357_6ben DGN H H H H . H . . N 0 . . . 1 no no . . . . 23.167 . 34.394 . 30.110 . 2.267 0.097 -2.010 11 . c30357_6ben DGN H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 23.553 . 32.760 . 29.877 . 1.721 -1.150 -1.134 12 . c30357_6ben DGN HA HA HA HA . H . . N 0 . . . 1 no no . . . . 23.105 . 33.918 . 27.786 . 0.600 1.536 -1.091 13 . c30357_6ben DGN HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 21.662 . 30.427 . 28.524 . -1.669 0.556 -3.647 14 . c30357_6ben DGN HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 20.808 . 34.756 . 27.517 . -1.230 0.431 0.164 15 . c30357_6ben DGN HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 20.339 . 34.230 . 29.052 . -0.324 -1.100 0.136 16 . c30357_6ben DGN HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 22.223 . 35.770 . 30.137 . 1.532 -0.024 1.379 17 . c30357_6ben DGN HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 22.667 . 36.300 . 28.613 . 0.626 1.507 1.406 18 . c30357_6ben DGN HE21 HE21 HE21 1HE2 . H . . N 0 . . . 0 no no . . . . 21.955 . 38.481 . 29.515 . -0.173 -0.057 4.643 19 . c30357_6ben DGN HE22 HE22 HE22 2HE2 . H . . N 0 . . . 0 no no . . . . 20.228 . 38.779 . 29.357 . 1.132 0.727 3.936 20 . c30357_6ben DGN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c30357_6ben DGN 2 . SING N H no N 2 . c30357_6ben DGN 3 . SING N H2 no N 3 . c30357_6ben DGN 4 . SING CA C no N 4 . c30357_6ben DGN 5 . SING CA CB no N 5 . c30357_6ben DGN 6 . SING CA HA no N 6 . c30357_6ben DGN 7 . DOUB C O no N 7 . c30357_6ben DGN 8 . SING C OXT no N 8 . c30357_6ben DGN 9 . SING OXT HXT no N 9 . c30357_6ben DGN 10 . SING CB CG no N 10 . c30357_6ben DGN 11 . SING CB HB2 no N 11 . c30357_6ben DGN 12 . SING CB HB3 no N 12 . c30357_6ben DGN 13 . SING CG CD no N 13 . c30357_6ben DGN 14 . SING CG HG2 no N 14 . c30357_6ben DGN 15 . SING CG HG3 no N 15 . c30357_6ben DGN 16 . DOUB CD OE1 no N 16 . c30357_6ben DGN 17 . SING CD NE2 no N 17 . c30357_6ben DGN 18 . SING NE2 HE21 no N 18 . c30357_6ben DGN 19 . SING NE2 HE22 no N 19 . c30357_6ben DGN stop_ save_ save_chem_comp_DAR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DAR _Chem_comp.Entry_ID c30357_6ben _Chem_comp.ID DAR _Chem_comp.Provenance PDB _Chem_comp.Name D-ARGININE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DAR _Chem_comp.PDB_code DAR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code R _Chem_comp.Three_letter_code DAR _Chem_comp.Number_atoms_all 27 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H15 N4 O2' _Chem_comp.Formula_weight 175.209 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1CZQ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CC(C(=O)O)N)CNC(=[NH2+])N SMILES 'OpenEye OEToolkits' 1.5.0 c30357_6ben DAR C(C[C@H](C(=O)O)N)CNC(=[NH2+])N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30357_6ben DAR InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1 InChI InChI 1.03 c30357_6ben DAR N[C@H](CCCNC(N)=[NH2+])C(O)=O SMILES_CANONICAL CACTVS 3.341 c30357_6ben DAR N[CH](CCCNC(N)=[NH2+])C(O)=O SMILES CACTVS 3.341 c30357_6ben DAR O=C(O)C(N)CCCN\C(=[NH2+])N SMILES ACDLabs 10.04 c30357_6ben DAR ODKSFYDXXFIFQN-SCSAIBSYSA-O InChIKey InChI 1.03 c30357_6ben DAR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID [amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30357_6ben DAR amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium 'SYSTEMATIC NAME' ACDLabs 10.04 c30357_6ben DAR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 17.418 . -6.202 . 32.216 . -2.318 1.786 -0.308 1 . c30357_6ben DAR CA CA CA CA . C . . R 0 . . . 1 no no . . . . 18.673 . -6.893 . 32.489 . -2.260 0.486 0.373 2 . c30357_6ben DAR CB CB CB CB . C . . N 0 . . . 1 no no . . . . 18.480 . -8.408 . 32.369 . -1.023 -0.282 -0.099 3 . c30357_6ben DAR CG CG CG CG . C . . N 0 . . . 1 no no . . . . 18.169 . -8.847 . 30.969 . 0.238 0.463 0.342 4 . c30357_6ben DAR CD CD CD CD . C . . N 0 . . . 1 no no . . . . 19.397 . -8.762 . 30.070 . 1.475 -0.305 -0.130 5 . c30357_6ben DAR NE NE NE NE . N . . N 0 . . . 1 no no . . . . 19.715 . -7.408 . 29.607 . 2.683 0.409 0.292 6 . c30357_6ben DAR CZ CZ CZ CZ . C . . N 0 . . . 1 no no . . . . 20.121 . -7.134 . 28.370 . 3.917 -0.093 -0.019 7 . c30357_6ben DAR NH1 NH1 NH1 NH1 . N . . N 0 . . . 1 no no . . . . 20.248 . -8.118 . 27.481 . 4.020 -1.229 -0.705 8 . c30357_6ben DAR NH2 NH2 NH2 NH2 . N . . N 1 . . . 1 no no . . . . 20.409 . -5.891 . 28.015 . 5.015 0.556 0.365 9 . c30357_6ben DAR C C C C . C . . N 0 . . . 1 no no . . . . 19.313 . -6.582 . 33.833 . -3.499 -0.308 0.047 10 . c30357_6ben DAR O O O O . O . . N 0 . . . 1 no no . . . . 19.994 . -7.423 . 34.421 . -3.870 -1.327 0.838 11 . c30357_6ben DAR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 19.100 . -5.379 . 34.342 . -4.157 -0.028 -0.926 12 . c30357_6ben DAR H H H H . H . . N 0 . . . 1 no no . . . . 17.546 . -5.193 . 32.295 . -2.371 1.593 -1.297 13 . c30357_6ben DAR H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 16.660 . -6.537 . 32.811 . -3.196 2.210 -0.048 14 . c30357_6ben DAR HA HA HA HA . H . . N 0 . . . 1 no no . . . . 19.378 . -6.505 . 31.717 . -2.201 0.642 1.450 15 . c30357_6ben DAR HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 19.363 . -8.955 . 32.771 . -1.027 -1.281 0.338 16 . c30357_6ben DAR HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 17.702 . -8.768 . 33.082 . -1.037 -0.361 -1.186 17 . c30357_6ben DAR HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 17.721 . -9.868 . 30.951 . 0.242 1.462 -0.095 18 . c30357_6ben DAR HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 17.311 . -8.275 . 30.543 . 0.253 0.542 1.429 19 . c30357_6ben DAR HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 20.280 . -9.218 . 30.574 . 1.471 -1.303 0.307 20 . c30357_6ben DAR HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 19.293 . -9.455 . 29.202 . 1.461 -0.383 -1.217 21 . c30357_6ben DAR HE HE HE HNE . H . . N 0 . . . 1 no no . . . . 20.411 . -7.025 . 30.246 . 2.608 1.236 0.793 22 . c30357_6ben DAR HH11 HH11 HH11 1HH1 . H . . N 0 . . . 0 no no . . . . 20.559 . -7.907 . 26.532 . 3.221 -1.701 -0.985 23 . c30357_6ben DAR HH12 HH12 HH12 2HH1 . H . . N 0 . . . 0 no no . . . . 19.362 . -8.621 . 27.426 . 4.896 -1.584 -0.926 24 . c30357_6ben DAR HH21 HH21 HH21 1HH2 . H . . N 0 . . . 0 no no . . . . 20.311 . -5.137 . 28.695 . 5.890 0.200 0.145 25 . c30357_6ben DAR HH22 HH22 HH22 2HH2 . H . . N 0 . . . 0 no no . . . . 20.720 . -5.680 . 27.066 . 4.940 1.384 0.865 26 . c30357_6ben DAR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 19.499 . -5.184 . 35.181 . . . . 27 . c30357_6ben DAR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c30357_6ben DAR 2 . SING N H no N 2 . c30357_6ben DAR 3 . SING N H2 no N 3 . c30357_6ben DAR 4 . SING CA CB no N 4 . c30357_6ben DAR 5 . SING CA C no N 5 . c30357_6ben DAR 6 . SING CA HA no N 6 . c30357_6ben DAR 7 . SING CB CG no N 7 . c30357_6ben DAR 8 . SING CB HB2 no N 8 . c30357_6ben DAR 9 . SING CB HB3 no N 9 . c30357_6ben DAR 10 . SING CG CD no N 10 . c30357_6ben DAR 11 . SING CG HG2 no N 11 . c30357_6ben DAR 12 . SING CG HG3 no N 12 . c30357_6ben DAR 13 . SING CD NE no N 13 . c30357_6ben DAR 14 . SING CD HD2 no N 14 . c30357_6ben DAR 15 . SING CD HD3 no N 15 . c30357_6ben DAR 16 . SING NE CZ no N 16 . c30357_6ben DAR 17 . SING NE HE no N 17 . c30357_6ben DAR 18 . SING CZ NH1 no N 18 . c30357_6ben DAR 19 . DOUB CZ NH2 no N 19 . c30357_6ben DAR 20 . SING NH1 HH11 no N 20 . c30357_6ben DAR 21 . SING NH1 HH12 no N 21 . c30357_6ben DAR 22 . SING NH2 HH21 no N 22 . c30357_6ben DAR 23 . SING NH2 HH22 no N 23 . c30357_6ben DAR 24 . DOUB C O no N 24 . c30357_6ben DAR 25 . SING C OXT no N 25 . c30357_6ben DAR 26 . SING OXT HXT no N 26 . c30357_6ben DAR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30357_6ben _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '5 mg/mL Design8.2, 5 % [U-2H] glycerol, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Design8.2 'natural abundance' . . 1 $entity_1 . . 5 . . mg/mL . . . . c30357_6ben 1 2 glycerol [U-2H] . . . . . . 5 . . % . . . . c30357_6ben 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c30357_6ben _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . 'Not defined' c30357_6ben 1 pH 5.5 . pH c30357_6ben 1 pressure 1 . atm c30357_6ben 1 temperature 278 . K c30357_6ben 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30357_6ben _Software.ID 1 _Software.Name gromacs _Software.Version 2016.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Abraham . . c30357_6ben 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30357_6ben 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30357_6ben _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c30357_6ben 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c30357_6ben 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30357_6ben _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c30357_6ben 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30357_6ben 3 'peak picking' c30357_6ben 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30357_6ben _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c30357_6ben _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . c30357_6ben 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c30357_6ben _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30357_6ben 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30357_6ben 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30357_6ben 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c30357_6ben _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . c30357_6ben 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c30357_6ben 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . c30357_6ben 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c30357_6ben _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . c30357_6ben 1 2 '2D 1H-1H NOESY' . . . c30357_6ben 1 3 '2D 1H-15N HSQC' . . . c30357_6ben 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.NEF_atom_name _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 DAR H H 1 7.875 0.01 . . . . . . . A 1 DAR H1 . c30357_6ben 1 2 . 1 1 1 1 DAR N N 15 120.912 0.00 . . . . . . . A 1 DAR N . c30357_6ben 1 3 . 1 1 1 1 DAR HA H 1 4.214 0.00 . . . . . . . A 1 DAR HA . c30357_6ben 1 4 . 1 1 1 1 DAR HB3 H 1 1.766 0.00 . . . . . . . A 1 DAR HB3 . c30357_6ben 1 5 . 1 1 1 1 DAR HD3 H 1 3.096 0.00 . . . . . . . A 1 DAR HD3 . c30357_6ben 1 6 . 1 1 1 1 DAR HE H 1 7.104 0.00 . . . . . . . A 1 DAR HE . c30357_6ben 1 7 . 1 1 1 1 DAR HG2 H 1 1.647 0.00 . . . . . . . A 1 DAR HG2 . c30357_6ben 1 8 . 1 1 1 1 DAR HG3 H 1 1.503 0.00 . . . . . . . A 1 DAR HG3 . c30357_6ben 1 9 . 1 1 2 2 GLN H H 1 8.236 0.01 . . . . . . . A 2 GLN H . c30357_6ben 1 10 . 1 1 2 2 GLN HA H 1 4.373 0.00 . . . . . . . A 2 GLN HA . c30357_6ben 1 11 . 1 1 2 2 GLN HB2 H 1 1.733 0.00 . . . . . . . A 2 GLN HB2 . c30357_6ben 1 12 . 1 1 2 2 GLN HB3 H 1 1.733 0.00 . . . . . . . A 2 GLN HB3 . c30357_6ben 1 13 . 1 1 2 2 GLN HG2 H 1 2.031 0.00 . . . . . . . A 2 GLN HG2 . c30357_6ben 1 14 . 1 1 2 2 GLN HG3 H 1 2.226 0.00 . . . . . . . A 2 GLN HG3 . c30357_6ben 1 15 . 1 1 2 2 GLN HE21 H 1 7.524 0.01 . . . . . . . A 2 GLN HE21 . c30357_6ben 1 16 . 1 1 2 2 GLN HE22 H 1 6.858 0.01 . . . . . . . A 2 GLN HE22 . c30357_6ben 1 17 . 1 1 2 2 GLN N N 15 118.985 0.00 . . . . . . . A 2 GLN N . c30357_6ben 1 18 . 1 1 2 2 GLN NE2 N 15 111.918 0.00 . . . . . . . A 2 GLN NE2 . c30357_6ben 1 19 . 1 1 3 3 DPR HA H 1 4.227 0.00 . . . . . . . A 3 DPR HA . c30357_6ben 1 20 . 1 1 3 3 DPR HB2 H 1 1.807 0.00 . . . . . . . A 3 DPR HB2 . c30357_6ben 1 21 . 1 1 3 3 DPR HB3 H 1 2.278 0.00 . . . . . . . A 3 DPR HB3 . c30357_6ben 1 22 . 1 1 3 3 DPR HD3 H 1 3.645 0.00 . . . . . . . A 3 DPR HD3 . c30357_6ben 1 23 . 1 1 3 3 DPR HG3 H 1 1.939 0.00 . . . . . . . A 3 DPR HG3 . c30357_6ben 1 24 . 1 1 4 4 DGN H H 1 8.157 0.01 . . . . . . . A 4 DGN H . c30357_6ben 1 25 . 1 1 4 4 DGN N N 15 115.465 0.00 . . . . . . . A 4 DGN N . c30357_6ben 1 26 . 1 1 4 4 DGN HA H 1 4.168 0.00 . . . . . . . A 4 DGN HA . c30357_6ben 1 27 . 1 1 4 4 DGN HB3 H 1 1.940 0.00 . . . . . . . A 4 DGN HB3 . c30357_6ben 1 28 . 1 1 4 4 DGN HE21 H 1 7.559 0.01 . . . . . . . A 4 DGN HE21 . c30357_6ben 1 29 . 1 1 4 4 DGN HE22 H 1 6.844 0.01 . . . . . . . A 4 DGN HE22 . c30357_6ben 1 30 . 1 1 4 4 DGN HG2 H 1 2.056 0.00 . . . . . . . A 4 DGN HG2 . c30357_6ben 1 31 . 1 1 4 4 DGN HG3 H 1 2.286 0.00 . . . . . . . A 4 DGN HG3 . c30357_6ben 1 32 . 1 1 4 4 DGN NE2 N 15 112.342 0.01 . . . . . . . A 4 DGN NE2 . c30357_6ben 1 33 . 1 1 5 5 ARG H H 1 7.839 0.01 . . . . . . . A 5 ARG H . c30357_6ben 1 34 . 1 1 5 5 ARG HA H 1 4.178 0.00 . . . . . . . A 5 ARG HA . c30357_6ben 1 35 . 1 1 5 5 ARG HB2 H 1 1.742 0.00 . . . . . . . A 5 ARG HB2 . c30357_6ben 1 36 . 1 1 5 5 ARG HB3 H 1 1.742 0.00 . . . . . . . A 5 ARG HB3 . c30357_6ben 1 37 . 1 1 5 5 ARG HG2 H 1 1.677 0.00 . . . . . . . A 5 ARG HG2 . c30357_6ben 1 38 . 1 1 5 5 ARG HG3 H 1 1.513 0.00 . . . . . . . A 5 ARG HG3 . c30357_6ben 1 39 . 1 1 5 5 ARG HD2 H 1 3.096 0.00 . . . . . . . A 5 ARG HD2 . c30357_6ben 1 40 . 1 1 5 5 ARG HD3 H 1 3.096 0.00 . . . . . . . A 5 ARG HD3 . c30357_6ben 1 41 . 1 1 5 5 ARG HE H 1 7.127 0.00 . . . . . . . A 5 ARG HE . c30357_6ben 1 42 . 1 1 5 5 ARG N N 15 120.528 0.00 . . . . . . . A 5 ARG N . c30357_6ben 1 43 . 1 1 6 6 DGL H H 1 8.055 0.01 . . . . . . . A 6 DGL H . c30357_6ben 1 44 . 1 1 6 6 DGL N N 15 117.960 0.00 . . . . . . . A 6 DGL N . c30357_6ben 1 45 . 1 1 6 6 DGL HA H 1 4.511 0.00 . . . . . . . A 6 DGL HA . c30357_6ben 1 46 . 1 1 6 6 DGL HB3 H 1 1.732 0.00 . . . . . . . A 6 DGL HB3 . c30357_6ben 1 47 . 1 1 6 6 DGL HG2 H 1 2.050 0.00 . . . . . . . A 6 DGL HG2 . c30357_6ben 1 48 . 1 1 6 6 DGL HG3 H 1 2.310 0.00 . . . . . . . A 6 DGL HG3 . c30357_6ben 1 49 . 1 1 7 7 PRO HA H 1 4.200 0.00 . . . . . . . A 7 PRO HA . c30357_6ben 1 50 . 1 1 7 7 PRO HB2 H 1 1.839 0.00 . . . . . . . A 7 PRO HB2 . c30357_6ben 1 51 . 1 1 7 7 PRO HB3 H 1 2.280 0.00 . . . . . . . A 7 PRO HB3 . c30357_6ben 1 52 . 1 1 7 7 PRO HG2 H 1 1.939 0.00 . . . . . . . A 7 PRO HG2 . c30357_6ben 1 53 . 1 1 7 7 PRO HG3 H 1 1.939 0.00 . . . . . . . A 7 PRO HG3 . c30357_6ben 1 54 . 1 1 7 7 PRO HD2 H 1 3.674 0.00 . . . . . . . A 7 PRO HD2 . c30357_6ben 1 55 . 1 1 7 7 PRO HD3 H 1 3.674 0.00 . . . . . . . A 7 PRO HD3 . c30357_6ben 1 56 . 1 1 8 8 GLN H H 1 8.403 0.01 . . . . . . . A 8 GLN H . c30357_6ben 1 57 . 1 1 8 8 GLN HA H 1 4.175 0.00 . . . . . . . A 8 GLN HA . c30357_6ben 1 58 . 1 1 8 8 GLN HB2 H 1 1.941 0.00 . . . . . . . A 8 GLN HB2 . c30357_6ben 1 59 . 1 1 8 8 GLN HB3 H 1 2.041 0.00 . . . . . . . A 8 GLN HB3 . c30357_6ben 1 60 . 1 1 8 8 GLN HG2 H 1 2.180 0.00 . . . . . . . A 8 GLN HG2 . c30357_6ben 1 61 . 1 1 8 8 GLN HG3 H 1 2.295 0.00 . . . . . . . A 8 GLN HG3 . c30357_6ben 1 62 . 1 1 8 8 GLN HE21 H 1 7.593 0.01 . . . . . . . A 8 GLN HE21 . c30357_6ben 1 63 . 1 1 8 8 GLN HE22 H 1 6.833 0.00 . . . . . . . A 8 GLN HE22 . c30357_6ben 1 64 . 1 1 8 8 GLN N N 15 115.919 0.00 . . . . . . . A 8 GLN N . c30357_6ben 1 65 . 1 1 8 8 GLN NE2 N 15 112.382 0.00 . . . . . . . A 8 GLN NE2 . c30357_6ben 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c30357_6ben _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 20 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 c30357_6ben _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 . . . c30357_6ben 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 . . . . c30357_6ben 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 . C C 23.690 40.380 24.110 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 1 . 2 . 1 1 1 . CA C 23.260 38.920 24.100 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 1 . 3 . 1 1 1 . CB C 22.970 38.330 22.720 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 1 . 4 . 1 1 1 . CD C 21.400 38.400 20.720 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 1 . 5 . 1 1 1 . CG C 21.720 38.960 22.110 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 1 . 6 . 1 1 1 . CZ C 22.680 38.110 18.540 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 1 . 7 . 1 1 1 . H1 H 24.550 37.220 24.340 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 1 . 8 . 1 1 1 . HA H 22.360 38.890 24.700 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 1 . 9 . 1 1 1 . HB2 H 22.730 37.270 22.800 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 1 . 10 . 1 1 1 . HB3 H 23.850 38.360 22.080 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 1 . 11 . 1 1 1 . HD2 H 20.590 38.970 20.260 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 1 . 12 . 1 1 1 . HD3 H 21.060 37.370 20.830 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 1 . 13 . 1 1 1 . HE H 23.400 38.920 20.150 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 1 . 14 . 1 1 1 . HG2 H 21.930 40.020 21.920 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 1 . 15 . 1 1 1 . HG3 H 20.890 38.920 22.810 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 1 . 16 . 1 1 1 . HH11 H 24.470 38.950 18.530 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 1 . 17 . 1 1 1 . HH12 H 23.840 38.500 16.970 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 1 . 18 . 1 1 1 . HH21 H 20.810 37.290 18.410 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 1 . 19 . 1 1 1 . HH22 H 21.770 36.870 17.120 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 1 . 20 . 1 1 1 . N N 24.180 38.040 24.800 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 1 . 21 . 1 1 1 . NE N 22.540 38.510 19.810 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 1 . 22 . 1 1 1 . NH1 N 23.860 38.370 17.970 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 1 . 23 . 1 1 1 . NH2 N 21.680 37.470 17.920 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 1 . 24 . 1 1 1 . O O 22.870 41.200 23.710 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 1 . 25 . 1 1 2 GLN C C 26.860 42.200 24.410 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 1 . 26 . 1 1 2 GLN CA C 25.380 42.130 24.760 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 1 . 27 . 1 1 2 GLN CB C 25.190 42.600 26.200 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 1 . 28 . 1 1 2 GLN CD C 22.710 43.480 26.010 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 1 . 29 . 1 1 2 GLN CG C 23.740 42.590 26.680 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 1 . 30 . 1 1 2 GLN H H 25.550 40.040 24.700 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 1 . 31 . 1 1 2 GLN HA H 24.790 42.740 24.070 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 1 . 32 . 1 1 2 GLN HB2 H 25.590 41.790 26.800 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 1 . 33 . 1 1 2 GLN HB3 H 25.660 43.550 26.460 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 1 . 34 . 1 1 2 GLN HE21 H 21.190 42.260 26.510 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 1 . 35 . 1 1 2 GLN HE22 H 20.700 43.700 25.650 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 1 . 36 . 1 1 2 GLN HG2 H 23.450 41.550 26.540 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 1 . 37 . 1 1 2 GLN HG3 H 23.880 42.810 27.740 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 1 . 38 . 1 1 2 GLN N N 24.880 40.780 24.570 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 1 . 39 . 1 1 2 GLN NE2 N 21.420 43.150 26.090 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 1 . 40 . 1 1 2 GLN O O 27.540 41.200 24.600 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 1 . 41 . 1 1 2 GLN OE1 O 23.100 44.570 25.580 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 1 . 42 . 1 1 3 DPR C C 29.610 42.730 23.020 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 1 . 43 . 1 1 3 DPR CA C 28.790 43.620 23.950 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 1 . 44 . 1 1 3 DPR CB C 28.940 45.100 23.600 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 1 . 45 . 1 1 3 DPR CD C 26.630 44.540 23.590 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 1 . 46 . 1 1 3 DPR CG C 27.570 45.660 24.010 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 1 . 47 . 1 1 3 DPR HA H 29.010 43.460 25.000 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 1 . 48 . 1 1 3 DPR HB2 H 29.240 45.170 22.560 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 1 . 49 . 1 1 3 DPR HB3 H 29.720 45.570 24.210 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 1 . 50 . 1 1 3 DPR HD2 H 26.320 44.560 22.540 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 1 . 51 . 1 1 3 DPR HD3 H 25.670 44.640 24.100 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 1 . 52 . 1 1 3 DPR HG2 H 27.310 46.560 23.460 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 1 . 53 . 1 1 3 DPR HG3 H 27.460 45.770 25.090 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 1 . 54 . 1 1 3 DPR N N 27.370 43.340 23.930 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 1 . 55 . 1 1 3 DPR O O 30.820 42.760 23.230 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 1 . 56 . 1 1 4 . C C 30.110 39.670 21.920 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 1 . 57 . 1 1 4 . CA C 29.770 41.020 21.300 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 1 . 58 . 1 1 4 . CB C 29.200 41.040 19.880 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 1 . 59 . 1 1 4 . CD C 27.970 42.640 18.290 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 1 . 60 . 1 1 4 . CG C 29.100 42.440 19.290 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 1 . 61 . 1 1 4 . H H 28.020 42.040 22.100 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 1 . 62 . 1 1 4 . HA H 30.750 41.490 21.260 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 1 . 63 . 1 1 4 . HB2 H 28.210 40.590 19.850 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 1 . 64 . 1 1 4 . HB3 H 29.860 40.450 19.240 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 1 . 65 . 1 1 4 . HE21 H 26.580 42.230 19.720 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 1 . 66 . 1 1 4 . HE22 H 25.970 42.730 18.130 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 1 . 67 . 1 1 4 . HG2 H 30.020 42.710 18.770 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 1 . 68 . 1 1 4 . HG3 H 28.980 43.140 20.130 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 1 . 69 . 1 1 4 . N N 29.010 41.890 22.180 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 1 . 70 . 1 1 4 . NE2 N 26.730 42.500 18.760 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 1 . 71 . 1 1 4 . O O 30.570 38.790 21.200 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 1 . 72 . 1 1 4 . OE1 O 28.110 42.910 17.100 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 1 . 73 . 1 1 5 ARG C C 28.690 37.420 23.570 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 1 . 74 . 1 1 5 ARG CA C 29.950 38.200 23.910 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 1 . 75 . 1 1 5 ARG CB C 30.090 38.490 25.400 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 1 . 76 . 1 1 5 ARG CD C 31.620 39.400 27.260 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 1 . 77 . 1 1 5 ARG CG C 31.490 38.970 25.800 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 1 . 78 . 1 1 5 ARG CZ C 31.990 38.320 29.460 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 1 . 79 . 1 1 5 ARG H H 29.450 40.230 23.700 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 1 . 80 . 1 1 5 ARG HA H 30.750 37.560 23.530 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 1 . 81 . 1 1 5 ARG HB2 H 29.330 39.200 25.700 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 1 . 82 . 1 1 5 ARG HB3 H 29.880 37.550 25.910 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 1 . 83 . 1 1 5 ARG HD2 H 32.580 39.920 27.310 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 1 . 84 . 1 1 5 ARG HD3 H 30.800 39.990 27.670 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 1 . 85 . 1 1 5 ARG HE H 31.830 37.350 27.660 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 1 . 86 . 1 1 5 ARG HG2 H 32.230 38.200 25.590 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 1 . 87 . 1 1 5 ARG HG3 H 31.790 39.830 25.210 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 1 . 88 . 1 1 5 ARG HH11 H 31.930 36.290 29.820 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 1 . 89 . 1 1 5 ARG HH12 H 32.440 37.260 31.130 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 1 . 90 . 1 1 5 ARG HH21 H 31.890 40.390 29.810 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 1 . 91 . 1 1 5 ARG HH22 H 32.120 39.390 31.170 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 1 . 92 . 1 1 5 ARG N N 29.930 39.480 23.230 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 1 . 93 . 1 1 5 ARG NE N 31.770 38.240 28.140 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 1 . 94 . 1 1 5 ARG NH1 N 32.250 37.190 30.140 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 1 . 95 . 1 1 5 ARG NH2 N 31.940 39.450 30.170 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 1 . 96 . 1 1 5 ARG O O 27.780 37.360 24.400 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 1 . 97 . 1 1 6 . C C 26.390 35.800 22.500 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 1 . 98 . 1 1 6 . CA C 27.410 36.580 21.680 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 1 . 99 . 1 1 6 . CB C 26.840 37.810 20.970 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 1 . 100 . 1 1 6 . CD C 25.810 40.170 21.040 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 1 . 101 . 1 1 6 . CG C 26.550 39.060 21.780 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 1 . 102 . 1 1 6 . H H 29.510 37.150 21.880 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 1 . 103 . 1 1 6 . HA H 27.740 35.900 20.900 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 1 . 104 . 1 1 6 . HB2 H 25.980 37.540 20.370 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 1 . 105 . 1 1 6 . HB3 H 27.540 37.980 20.140 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 1 . 106 . 1 1 6 . HG2 H 27.550 39.420 22.010 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 1 . 107 . 1 1 6 . HG3 H 26.000 38.840 22.700 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 1 . 108 . 1 1 6 . N N 28.660 36.890 22.350 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 1 . 109 . 1 1 6 . O O 25.230 36.200 22.540 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 1 . 110 . 1 1 6 . OE1 O 24.990 39.870 20.140 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 1 . 111 . 1 1 6 . OE2 O 26.050 41.360 21.320 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 1 . 112 . 1 1 7 PRO C C 25.270 34.970 25.390 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 1 . 113 . 1 1 7 PRO CA C 25.890 34.170 24.260 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 1 . 114 . 1 1 7 PRO CB C 26.770 33.040 24.790 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 1 . 115 . 1 1 7 PRO CD C 27.950 34.010 23.070 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 1 . 116 . 1 1 7 PRO CG C 27.860 32.670 23.790 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 1 . 117 . 1 1 7 PRO HA H 25.080 33.790 23.640 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 1 . 118 . 1 1 7 PRO HB2 H 27.270 33.360 25.710 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 1 . 119 . 1 1 7 PRO HB3 H 26.130 32.210 25.070 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 1 . 120 . 1 1 7 PRO HD2 H 28.840 34.500 23.480 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 1 . 121 . 1 1 7 PRO HD3 H 28.100 33.930 21.990 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 1 . 122 . 1 1 7 PRO HG2 H 28.810 32.420 24.250 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 1 . 123 . 1 1 7 PRO HG3 H 27.590 31.850 23.120 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 1 . 124 . 1 1 7 PRO N N 26.780 34.820 23.310 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 1 . 125 . 1 1 7 PRO O O 24.250 34.480 25.880 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 1 . 126 . 1 1 8 GLN C C 24.290 38.000 26.130 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 1 . 127 . 1 1 8 GLN CA C 25.220 36.970 26.760 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 1 . 128 . 1 1 8 GLN CB C 26.200 37.800 27.580 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 1 . 129 . 1 1 8 GLN CD C 28.130 37.740 29.270 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 1 . 130 . 1 1 8 GLN CG C 27.400 37.040 28.130 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 1 . 131 . 1 1 8 GLN H H 26.680 36.430 25.350 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 1 . 132 . 1 1 8 GLN HA H 24.640 36.340 27.440 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 1 . 133 . 1 1 8 GLN HB2 H 26.470 38.710 27.050 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 1 . 134 . 1 1 8 GLN HB3 H 25.570 38.230 28.360 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 1 . 135 . 1 1 8 GLN HE21 H 28.240 39.500 28.300 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 1 . 136 . 1 1 8 GLN HE22 H 28.920 39.480 29.930 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 1 . 137 . 1 1 8 GLN HG2 H 27.020 36.100 28.540 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 1 . 138 . 1 1 8 GLN HG3 H 28.100 36.790 27.340 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 1 . 139 . 1 1 8 GLN N N 25.890 36.060 25.840 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 1 . 140 . 1 1 8 GLN NE2 N 28.390 39.050 29.190 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 1 . 141 . 1 1 8 GLN O O 23.710 38.820 26.850 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 1 . 142 . 1 1 8 GLN OE1 O 28.400 37.140 30.310 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 2 . 143 . 1 1 1 . C C 23.710 40.445 24.090 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 2 . 144 . 1 1 1 . CA C 23.159 39.022 24.031 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 2 . 145 . 1 1 1 . CB C 22.995 38.424 22.631 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 2 . 146 . 1 1 1 . CD C 21.666 38.354 20.510 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 2 . 147 . 1 1 1 . CG C 21.984 39.167 21.763 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 2 . 148 . 1 1 1 . CZ C 22.679 37.975 18.313 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 2 . 149 . 1 1 1 . H1 H 24.222 37.147 24.336 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 2 . 150 . 1 1 1 . HA H 22.191 39.105 24.508 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 2 . 151 . 1 1 1 . HB2 H 22.609 37.416 22.757 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 2 . 152 . 1 1 1 . HB3 H 23.933 38.380 22.075 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 2 . 153 . 1 1 1 . HD2 H 20.833 38.802 19.978 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 2 . 154 . 1 1 1 . HD3 H 21.312 37.366 20.788 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 2 . 155 . 1 1 1 . HE H 23.744 38.534 19.937 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 2 . 156 . 1 1 1 . HG2 H 22.415 40.141 21.539 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 2 . 157 . 1 1 1 . HG3 H 21.031 39.367 22.250 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 2 . 158 . 1 1 1 . HH11 H 24.589 38.295 17.613 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 2 . 159 . 1 1 1 . HH12 H 23.509 37.713 16.458 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 2 . 160 . 1 1 1 . HH21 H 21.013 36.830 18.475 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 2 . 161 . 1 1 1 . HH22 H 21.579 37.030 16.917 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 2 . 162 . 1 1 1 . N N 23.960 38.039 24.726 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 2 . 163 . 1 1 1 . NE N 22.817 38.273 19.611 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 2 . 164 . 1 1 1 . NH1 N 23.624 38.133 17.368 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 2 . 165 . 1 1 1 . NH2 N 21.553 37.411 17.854 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 2 . 166 . 1 1 1 . O O 22.988 41.367 23.711 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 2 . 167 . 1 1 2 GLN C C 26.884 42.160 24.541 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 2 . 168 . 1 1 2 GLN CA C 25.399 41.993 24.875 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 2 . 169 . 1 1 2 GLN CB C 25.293 42.352 26.349 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 2 . 170 . 1 1 2 GLN CD C 23.195 43.724 25.992 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 2 . 171 . 1 1 2 GLN CG C 23.817 42.527 26.702 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 2 . 172 . 1 1 2 GLN H H 25.541 39.875 24.743 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 2 . 173 . 1 1 2 GLN HA H 24.887 42.727 24.249 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 2 . 174 . 1 1 2 GLN HB2 H 25.784 41.545 26.900 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 2 . 175 . 1 1 2 GLN HB3 H 25.754 43.320 26.518 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 2 . 176 . 1 1 2 GLN HE21 H 21.552 42.633 25.355 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 2 . 177 . 1 1 2 GLN HE22 H 21.680 44.348 24.934 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 2 . 178 . 1 1 2 GLN HG2 H 23.282 41.604 26.500 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 2 . 179 . 1 1 2 GLN HG3 H 23.945 42.828 27.747 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 2 . 180 . 1 1 2 GLN N N 24.945 40.654 24.538 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 2 . 181 . 1 1 2 GLN NE2 N 21.985 43.536 25.458 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 2 . 182 . 1 1 2 GLN O O 27.600 41.177 24.703 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 2 . 183 . 1 1 2 GLN OE1 O 23.775 44.802 25.877 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 2 . 184 . 1 1 3 DPR C C 29.656 42.844 23.244 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 2 . 185 . 1 1 3 DPR CA C 28.815 43.599 24.255 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 2 . 186 . 1 1 3 DPR CB C 28.833 45.085 23.899 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 2 . 187 . 1 1 3 DPR CD C 26.618 44.424 23.619 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 2 . 188 . 1 1 3 DPR CG C 27.619 45.432 23.052 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 2 . 189 . 1 1 3 DPR HA H 29.253 43.363 25.226 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 2 . 190 . 1 1 3 DPR HB2 H 29.711 45.378 23.320 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 2 . 191 . 1 1 3 DPR HB3 H 28.753 45.649 24.819 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 2 . 192 . 1 1 3 DPR HD2 H 25.950 44.072 22.836 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 2 . 193 . 1 1 3 DPR HD3 H 26.068 44.862 24.451 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 2 . 194 . 1 1 3 DPR HG2 H 27.796 45.170 22.004 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 2 . 195 . 1 1 3 DPR HG3 H 27.286 46.475 23.043 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 2 . 196 . 1 1 3 DPR N N 27.395 43.321 24.144 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 2 . 197 . 1 1 3 DPR O O 30.883 42.896 23.359 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 2 . 198 . 1 1 4 . C C 30.073 39.982 21.714 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 2 . 199 . 1 1 4 . CA C 29.791 41.389 21.212 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 2 . 200 . 1 1 4 . CB C 29.051 41.465 19.879 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 2 . 201 . 1 1 4 . CD C 28.123 42.994 18.013 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 2 . 202 . 1 1 4 . CG C 28.903 42.879 19.315 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 2 . 203 . 1 1 4 . H H 28.110 42.308 22.239 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 2 . 204 . 1 1 4 . HA H 30.780 41.830 21.071 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 2 . 205 . 1 1 4 . HB2 H 28.089 41.024 20.129 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 2 . 206 . 1 1 4 . HB3 H 29.568 40.847 19.142 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 2 . 207 . 1 1 4 . HE21 H 26.794 44.468 18.575 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 2 . 208 . 1 1 4 . HE22 H 26.562 43.635 17.003 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 2 . 209 . 1 1 4 . HG2 H 29.847 43.413 19.156 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 2 . 210 . 1 1 4 . HG3 H 28.404 43.556 20.003 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 2 . 211 . 1 1 4 . N N 29.109 42.153 22.236 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 2 . 212 . 1 1 4 . NE2 N 27.067 43.796 17.862 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 2 . 213 . 1 1 4 . O O 30.851 39.259 21.096 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 2 . 214 . 1 1 4 . OE1 O 28.399 42.298 17.037 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 2 . 215 . 1 1 5 ARG C C 28.687 37.493 23.390 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 2 . 216 . 1 1 5 ARG CA C 29.925 38.371 23.581 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 2 . 217 . 1 1 5 ARG CB C 30.302 38.618 25.031 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 2 . 218 . 1 1 5 ARG CD C 32.216 39.040 26.579 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 2 . 219 . 1 1 5 ARG CG C 31.565 39.438 25.260 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 2 . 220 . 1 1 5 ARG CZ C 33.057 36.883 27.506 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 2 . 221 . 1 1 5 ARG H H 28.807 40.173 23.217 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 2 . 222 . 1 1 5 ARG HA H 30.838 37.962 23.133 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 2 . 223 . 1 1 5 ARG HB2 H 29.440 39.078 25.532 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 2 . 224 . 1 1 5 ARG HB3 H 30.423 37.684 25.586 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 2 . 225 . 1 1 5 ARG HD2 H 32.911 39.847 26.815 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 2 . 226 . 1 1 5 ARG HD3 H 31.418 39.088 27.313 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 2 . 227 . 1 1 5 ARG HE H 32.972 37.321 25.561 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 2 . 228 . 1 1 5 ARG HG2 H 32.353 39.178 24.558 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 2 . 229 . 1 1 5 ARG HG3 H 31.349 40.506 25.325 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 2 . 230 . 1 1 5 ARG HH11 H 33.677 35.310 26.405 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 2 . 231 . 1 1 5 ARG HH12 H 33.864 35.059 28.085 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 2 . 232 . 1 1 5 ARG HH21 H 32.253 38.180 28.785 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 2 . 233 . 1 1 5 ARG HH22 H 32.985 36.720 29.526 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 2 . 234 . 1 1 5 ARG N N 29.586 39.608 22.904 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 2 . 235 . 1 1 5 ARG NE N 32.766 37.688 26.484 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 2 . 236 . 1 1 5 ARG NH1 N 33.689 35.712 27.333 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 2 . 237 . 1 1 5 ARG NH2 N 32.741 37.295 28.740 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 2 . 238 . 1 1 5 ARG O O 27.694 37.669 24.084 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 2 . 239 . 1 1 6 . C C 26.507 35.422 22.631 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 2 . 240 . 1 1 6 . CA C 27.632 35.913 21.744 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 2 . 241 . 1 1 6 . CB C 27.180 36.728 20.535 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 2 . 242 . 1 1 6 . CD C 26.140 38.877 19.584 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 2 . 243 . 1 1 6 . CG C 26.838 38.199 20.754 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 2 . 244 . 1 1 6 . H H 29.586 36.376 21.935 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 2 . 245 . 1 1 6 . HA H 28.026 34.985 21.329 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 2 . 246 . 1 1 6 . HB2 H 26.216 36.253 20.342 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 2 . 247 . 1 1 6 . HB3 H 27.865 36.521 19.713 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 2 . 248 . 1 1 6 . HG2 H 27.812 38.683 20.872 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 2 . 249 . 1 1 6 . HG3 H 26.301 38.334 21.693 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 2 . 250 . 1 1 6 . N N 28.728 36.569 22.429 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 2 . 251 . 1 1 6 . O O 25.378 35.873 22.491 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 2 . 252 . 1 1 6 . OE1 O 26.496 38.668 18.405 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 2 . 253 . 1 1 6 . OE2 O 25.190 39.650 19.829 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 2 . 254 . 1 1 7 PRO C C 25.102 35.049 25.487 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 2 . 255 . 1 1 7 PRO CA C 25.663 34.088 24.456 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 2 . 256 . 1 1 7 PRO CB C 26.247 32.900 25.204 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 2 . 257 . 1 1 7 PRO CD C 28.003 33.918 23.950 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 2 . 258 . 1 1 7 PRO CG C 27.526 32.554 24.441 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 2 . 259 . 1 1 7 PRO HA H 24.870 33.726 23.799 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 2 . 260 . 1 1 7 PRO HB2 H 26.521 33.262 26.207 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 2 . 261 . 1 1 7 PRO HB3 H 25.534 32.073 25.213 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 2 . 262 . 1 1 7 PRO HD2 H 28.522 34.427 24.762 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 2 . 263 . 1 1 7 PRO HD3 H 28.604 33.683 23.062 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 2 . 264 . 1 1 7 PRO HG2 H 28.197 32.034 25.123 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 2 . 265 . 1 1 7 PRO HG3 H 27.247 31.933 23.594 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 2 . 266 . 1 1 7 PRO N N 26.754 34.576 23.643 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 2 . 267 . 1 1 7 PRO O O 24.074 34.765 26.110 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 2 . 268 . 1 1 8 GLN C C 24.174 38.128 26.034 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 2 . 269 . 1 1 8 GLN CA C 25.286 37.235 26.565 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 2 . 270 . 1 1 8 GLN CB C 26.449 38.133 26.963 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 2 . 271 . 1 1 8 GLN CD C 27.485 39.750 28.607 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 2 . 272 . 1 1 8 GLN CG C 26.254 38.924 28.254 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 2 . 273 . 1 1 8 GLN H H 26.389 36.411 24.915 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 2 . 274 . 1 1 8 GLN HA H 25.004 36.732 27.494 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 2 . 275 . 1 1 8 GLN HB2 H 27.382 37.575 27.013 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 2 . 276 . 1 1 8 GLN HB3 H 26.591 38.811 26.119 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 2 . 277 . 1 1 8 GLN HE21 H 27.814 40.317 26.647 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 2 . 278 . 1 1 8 GLN HE22 H 28.923 40.935 27.838 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 2 . 279 . 1 1 8 GLN HG2 H 25.435 39.622 28.089 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 2 . 280 . 1 1 8 GLN HG3 H 26.104 38.314 29.144 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 2 . 281 . 1 1 8 GLN N N 25.746 36.209 25.662 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 2 . 282 . 1 1 8 GLN NE2 N 28.065 40.436 27.619 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 2 . 283 . 1 1 8 GLN O O 23.616 38.908 26.817 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 2 . 284 . 1 1 8 GLN OE1 O 27.939 39.850 29.740 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 3 . 285 . 1 1 1 . C C 23.616 40.394 24.074 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 3 . 286 . 1 1 1 . CA C 23.129 38.957 24.003 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 3 . 287 . 1 1 1 . CB C 22.914 38.419 22.592 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 3 . 288 . 1 1 1 . CD C 21.615 38.509 20.467 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 3 . 289 . 1 1 1 . CG C 21.966 39.269 21.740 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 3 . 290 . 1 1 1 . CZ C 22.689 37.538 18.456 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 3 . 291 . 1 1 1 . H1 H 24.571 37.403 24.166 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 3 . 292 . 1 1 1 . HA H 22.135 38.961 24.438 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 3 . 293 . 1 1 1 . HB2 H 22.437 37.456 22.753 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 3 . 294 . 1 1 1 . HB3 H 23.857 38.274 22.077 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 3 . 295 . 1 1 1 . HD2 H 20.878 39.120 19.960 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 3 . 296 . 1 1 1 . HD3 H 21.191 37.529 20.706 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 3 . 297 . 1 1 1 . HE H 23.615 38.816 19.647 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 3 . 298 . 1 1 1 . HG2 H 22.499 40.190 21.509 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 3 . 299 . 1 1 1 . HG3 H 21.101 39.568 22.333 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 3 . 300 . 1 1 1 . HH11 H 24.649 37.881 18.011 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 3 . 301 . 1 1 1 . HH12 H 23.836 36.729 17.005 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 3 . 302 . 1 1 1 . HH21 H 20.961 36.551 18.764 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 3 . 303 . 1 1 1 . HH22 H 21.764 36.270 17.190 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 3 . 304 . 1 1 1 . N N 24.032 38.057 24.703 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 3 . 305 . 1 1 1 . NE N 22.749 38.305 19.558 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 3 . 306 . 1 1 1 . NH1 N 23.791 37.471 17.688 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 3 . 307 . 1 1 1 . NH2 N 21.670 36.760 18.067 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 3 . 308 . 1 1 1 . O O 22.873 41.318 23.751 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 3 . 309 . 1 1 2 GLN C C 26.903 42.076 24.605 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 3 . 310 . 1 1 2 GLN CA C 25.388 42.007 24.755 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 3 . 311 . 1 1 2 GLN CB C 25.088 42.473 26.176 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 3 . 312 . 1 1 2 GLN CD C 23.220 44.113 25.736 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 3 . 313 . 1 1 2 GLN CG C 23.641 42.868 26.506 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 3 . 314 . 1 1 2 GLN H H 25.365 39.882 24.762 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 3 . 315 . 1 1 2 GLN HA H 24.896 42.665 24.049 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 3 . 316 . 1 1 2 GLN HB2 H 25.472 41.828 26.964 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 3 . 317 . 1 1 2 GLN HB3 H 25.665 43.374 26.389 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 3 . 318 . 1 1 2 GLN HE21 H 22.022 43.081 24.543 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 3 . 319 . 1 1 2 GLN HE22 H 22.029 44.797 24.195 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 3 . 320 . 1 1 2 GLN HG2 H 23.044 42.012 26.213 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 3 . 321 . 1 1 2 GLN HG3 H 23.583 43.141 27.564 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 3 . 322 . 1 1 2 GLN N N 24.854 40.696 24.469 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 3 . 323 . 1 1 2 GLN NE2 N 22.402 44.003 24.687 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 3 . 324 . 1 1 2 GLN O O 27.597 41.075 24.791 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 3 . 325 . 1 1 2 GLN OE1 O 23.600 45.260 25.982 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 3 . 326 . 1 1 3 DPR C C 29.779 42.916 23.262 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 3 . 327 . 1 1 3 DPR CA C 28.846 43.619 24.248 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 3 . 328 . 1 1 3 DPR CB C 28.862 45.139 24.165 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 3 . 329 . 1 1 3 DPR CD C 26.657 44.396 23.894 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 3 . 330 . 1 1 3 DPR CG C 27.579 45.521 23.433 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 3 . 331 . 1 1 3 DPR HA H 29.244 43.452 25.254 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 3 . 332 . 1 1 3 DPR HB2 H 29.793 45.476 23.720 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 3 . 333 . 1 1 3 DPR HB3 H 28.828 45.495 25.188 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 3 . 334 . 1 1 3 DPR HD2 H 25.985 44.093 23.092 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 3 . 335 . 1 1 3 DPR HD3 H 26.001 44.767 24.684 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 3 . 336 . 1 1 3 DPR HG2 H 27.727 45.578 22.364 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 3 . 337 . 1 1 3 DPR HG3 H 27.187 46.510 23.682 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 3 . 338 . 1 1 3 DPR N N 27.449 43.252 24.278 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 3 . 339 . 1 1 3 DPR O O 31.001 43.018 23.366 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 3 . 340 . 1 1 4 . C C 30.264 40.049 21.832 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 3 . 341 . 1 1 4 . CA C 30.086 41.468 21.304 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 3 . 342 . 1 1 4 . CB C 29.308 41.443 19.990 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 3 . 343 . 1 1 4 . CD C 28.149 42.595 18.183 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 3 . 344 . 1 1 4 . CG C 29.081 42.815 19.365 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 3 . 345 . 1 1 4 . H H 28.275 42.050 22.201 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 3 . 346 . 1 1 4 . HA H 31.078 41.899 21.172 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 3 . 347 . 1 1 4 . HB2 H 28.360 40.920 20.133 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 3 . 348 . 1 1 4 . HB3 H 29.910 40.903 19.252 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 3 . 349 . 1 1 4 . HE21 H 26.557 42.602 19.432 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 3 . 350 . 1 1 4 . HE22 H 26.232 42.122 17.822 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 3 . 351 . 1 1 4 . HG2 H 30.063 43.183 19.059 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 3 . 352 . 1 1 4 . HG3 H 28.688 43.455 20.159 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 3 . 353 . 1 1 4 . N N 29.268 42.200 22.257 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 3 . 354 . 1 1 4 . NE2 N 26.842 42.616 18.464 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 3 . 355 . 1 1 4 . O O 31.008 39.270 21.239 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 3 . 356 . 1 1 4 . OE1 O 28.531 42.339 17.048 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 3 . 357 . 1 1 5 ARG C C 28.447 37.530 23.326 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 3 . 358 . 1 1 5 ARG CA C 29.713 38.353 23.549 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 3 . 359 . 1 1 5 ARG CB C 30.145 38.511 25.002 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 3 . 360 . 1 1 5 ARG CD C 32.083 38.814 26.666 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 3 . 361 . 1 1 5 ARG CG C 31.623 38.844 25.222 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 3 . 362 . 1 1 5 ARG CZ C 32.575 37.145 28.450 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 3 . 363 . 1 1 5 ARG H H 29.106 40.306 23.515 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 3 . 364 . 1 1 5 ARG HA H 30.517 37.834 23.013 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 3 . 365 . 1 1 5 ARG HB2 H 29.563 39.295 25.493 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 3 . 366 . 1 1 5 ARG HB3 H 30.010 37.520 25.435 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 3 . 367 . 1 1 5 ARG HD2 H 33.112 39.160 26.750 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 3 . 368 . 1 1 5 ARG HD3 H 31.482 39.509 27.255 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 3 . 369 . 1 1 5 ARG HE H 31.300 36.878 26.948 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 3 . 370 . 1 1 5 ARG HG2 H 32.255 38.135 24.687 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 3 . 371 . 1 1 5 ARG HG3 H 31.884 39.827 24.818 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 3 . 372 . 1 1 5 ARG HH11 H 31.953 35.255 28.287 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 3 . 373 . 1 1 5 ARG HH12 H 32.751 35.649 29.805 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 3 . 374 . 1 1 5 ARG HH21 H 33.013 38.996 29.280 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 3 . 375 . 1 1 5 ARG HH22 H 33.349 37.625 30.270 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 3 . 376 . 1 1 5 ARG N N 29.666 39.675 22.969 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 3 . 377 . 1 1 5 ARG NE N 32.045 37.481 27.257 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 3 . 378 . 1 1 5 ARG NH1 N 32.536 35.869 28.845 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 3 . 379 . 1 1 5 ARG NH2 N 32.978 37.993 29.400 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 3 . 380 . 1 1 5 ARG O O 27.429 37.804 23.955 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 3 . 381 . 1 1 6 . C C 26.359 35.530 22.743 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 3 . 382 . 1 1 6 . CA C 27.314 36.065 21.690 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 3 . 383 . 1 1 6 . CB C 26.697 36.942 20.611 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 3 . 384 . 1 1 6 . CD C 25.725 39.176 19.785 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 3 . 385 . 1 1 6 . CG C 26.446 38.417 20.894 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 3 . 386 . 1 1 6 . H H 29.335 36.426 21.818 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 3 . 387 . 1 1 6 . HA H 27.725 35.165 21.247 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 3 . 388 . 1 1 6 . HB2 H 25.778 36.469 20.261 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 3 . 389 . 1 1 6 . HB3 H 27.176 36.819 19.634 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 3 . 390 . 1 1 6 . HG2 H 27.367 38.960 21.132 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 3 . 391 . 1 1 6 . HG3 H 25.852 38.443 21.811 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 3 . 392 . 1 1 6 . N N 28.480 36.702 22.281 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 3 . 393 . 1 1 6 . O O 25.229 36.004 22.824 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 3 . 394 . 1 1 6 . OE1 O 25.892 38.887 18.581 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 3 . 395 . 1 1 6 . OE2 O 24.880 40.012 20.144 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 3 . 396 . 1 1 7 PRO C C 25.269 34.973 25.552 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 3 . 397 . 1 1 7 PRO CA C 25.817 33.947 24.577 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 3 . 398 . 1 1 7 PRO CB C 26.605 32.871 25.320 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 3 . 399 . 1 1 7 PRO CD C 27.902 33.739 23.524 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 3 . 400 . 1 1 7 PRO CG C 27.554 32.417 24.205 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 3 . 401 . 1 1 7 PRO HA H 24.984 33.521 24.022 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 3 . 402 . 1 1 7 PRO HB2 H 27.176 33.276 26.163 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 3 . 403 . 1 1 7 PRO HB3 H 25.981 32.086 25.725 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 3 . 404 . 1 1 7 PRO HD2 H 28.739 34.204 24.054 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 3 . 405 . 1 1 7 PRO HD3 H 28.304 33.545 22.528 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 3 . 406 . 1 1 7 PRO HG2 H 28.466 31.955 24.597 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 3 . 407 . 1 1 7 PRO HG3 H 27.087 31.784 23.456 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 3 . 408 . 1 1 7 PRO N N 26.656 34.492 23.523 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 3 . 409 . 1 1 7 PRO O O 24.423 34.548 26.334 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 3 . 410 . 1 1 8 GLN C C 24.249 38.066 26.020 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 3 . 411 . 1 1 8 GLN CA C 25.378 37.195 26.594 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 3 . 412 . 1 1 8 GLN CB C 26.476 38.185 26.963 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 3 . 413 . 1 1 8 GLN CD C 27.507 39.752 28.640 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 3 . 414 . 1 1 8 GLN CG C 26.255 38.979 28.249 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 3 . 415 . 1 1 8 GLN H H 26.464 36.439 24.916 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 3 . 416 . 1 1 8 GLN HA H 24.954 36.811 27.519 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 3 . 417 . 1 1 8 GLN HB2 H 27.378 37.573 27.059 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 3 . 418 . 1 1 8 GLN HB3 H 26.560 38.923 26.170 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 3 . 419 . 1 1 8 GLN HE21 H 27.819 40.580 26.842 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 3 . 420 . 1 1 8 GLN HE22 H 28.934 41.062 28.122 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 3 . 421 . 1 1 8 GLN HG2 H 25.486 39.739 28.149 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 3 . 422 . 1 1 8 GLN HG3 H 25.915 38.346 29.064 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 3 . 423 . 1 1 8 GLN N N 25.797 36.192 25.633 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 3 . 424 . 1 1 8 GLN NE2 N 28.066 40.644 27.825 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 3 . 425 . 1 1 8 GLN O O 23.688 38.813 26.815 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 3 . 426 . 1 1 8 GLN OE1 O 27.994 39.540 29.745 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 4 . 427 . 1 1 1 . C C 23.453 40.603 23.964 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 4 . 428 . 1 1 1 . CA C 22.992 39.150 23.874 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 4 . 429 . 1 1 1 . CB C 22.900 38.724 22.417 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 4 . 430 . 1 1 1 . CD C 21.502 38.461 20.394 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 4 . 431 . 1 1 1 . CG C 21.650 39.244 21.705 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 4 . 432 . 1 1 1 . CZ C 22.699 38.623 18.185 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 4 . 433 . 1 1 1 . H1 H 24.368 37.621 23.920 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 4 . 434 . 1 1 1 . HA H 22.028 39.176 24.362 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 4 . 435 . 1 1 1 . HB2 H 22.868 37.637 22.315 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 4 . 436 . 1 1 1 . HB3 H 23.747 39.082 21.842 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 4 . 437 . 1 1 1 . HD2 H 20.540 38.780 20.008 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 4 . 438 . 1 1 1 . HD3 H 21.454 37.400 20.643 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 4 . 439 . 1 1 1 . HE H 23.433 39.162 20.004 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 4 . 440 . 1 1 1 . HG2 H 21.826 40.295 21.481 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 4 . 441 . 1 1 1 . HG3 H 20.762 39.071 22.304 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 4 . 442 . 1 1 1 . HH11 H 24.446 39.621 18.012 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 4 . 443 . 1 1 1 . HH12 H 23.857 38.842 16.557 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 4 . 444 . 1 1 1 . HH21 H 21.052 37.443 17.992 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 4 . 445 . 1 1 1 . HH22 H 22.052 37.588 16.563 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 4 . 446 . 1 1 1 . N N 23.878 38.225 24.563 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 4 . 447 . 1 1 1 . NE N 22.640 38.764 19.519 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 4 . 448 . 1 1 1 . NH1 N 23.714 39.167 17.506 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 4 . 449 . 1 1 1 . NH2 N 21.833 37.857 17.515 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 4 . 450 . 1 1 1 . O O 22.680 41.521 23.731 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 4 . 451 . 1 1 2 GLN C C 26.723 42.060 24.582 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 4 . 452 . 1 1 2 GLN CA C 25.225 42.067 24.873 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 4 . 453 . 1 1 2 GLN CB C 24.947 42.191 26.372 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 4 . 454 . 1 1 2 GLN CD C 22.837 43.729 26.471 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 4 . 455 . 1 1 2 GLN CG C 23.500 42.394 26.790 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 4 . 456 . 1 1 2 GLN H H 25.342 40.042 24.273 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 4 . 457 . 1 1 2 GLN HA H 24.805 42.905 24.321 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 4 . 458 . 1 1 2 GLN HB2 H 25.374 41.292 26.810 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 4 . 459 . 1 1 2 GLN HB3 H 25.461 43.030 26.836 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 4 . 460 . 1 1 2 GLN HE21 H 22.096 43.027 24.781 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 4 . 461 . 1 1 2 GLN HE22 H 21.636 44.695 25.116 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 4 . 462 . 1 1 2 GLN HG2 H 22.936 41.557 26.372 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 4 . 463 . 1 1 2 GLN HG3 H 23.458 42.213 27.859 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 4 . 464 . 1 1 2 GLN N N 24.710 40.816 24.356 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 4 . 465 . 1 1 2 GLN NE2 N 22.008 43.808 25.425 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 4 . 466 . 1 1 2 GLN O O 27.397 41.053 24.766 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 4 . 467 . 1 1 2 GLN OE1 O 23.047 44.712 27.181 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 4 . 468 . 1 1 3 DPR C C 29.631 42.527 23.452 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 4 . 469 . 1 1 3 DPR CA C 28.803 43.379 24.401 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 4 . 470 . 1 1 3 DPR CB C 29.124 44.856 24.225 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 4 . 471 . 1 1 3 DPR CD C 26.764 44.461 23.912 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 4 . 472 . 1 1 3 DPR CG C 27.923 45.316 23.399 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 4 . 473 . 1 1 3 DPR HA H 29.180 43.163 25.406 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 4 . 474 . 1 1 3 DPR HB2 H 30.044 45.020 23.674 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 4 . 475 . 1 1 3 DPR HB3 H 28.991 45.395 25.156 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 4 . 476 . 1 1 3 DPR HD2 H 26.101 44.293 23.066 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 4 . 477 . 1 1 3 DPR HD3 H 26.390 44.904 24.835 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 4 . 478 . 1 1 3 DPR HG2 H 28.098 45.126 22.337 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 4 . 479 . 1 1 3 DPR HG3 H 27.668 46.362 23.540 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 4 . 480 . 1 1 3 DPR N N 27.360 43.209 24.340 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 4 . 481 . 1 1 3 DPR O O 30.823 42.312 23.647 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 4 . 482 . 1 1 4 . C C 30.063 39.902 21.604 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 4 . 483 . 1 1 4 . CA C 29.846 41.384 21.306 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 4 . 484 . 1 1 4 . CB C 29.300 41.766 19.932 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 4 . 485 . 1 1 4 . CD C 28.720 43.497 18.112 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 4 . 486 . 1 1 4 . CG C 29.260 43.234 19.513 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 4 . 487 . 1 1 4 . H H 28.088 42.174 22.180 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 4 . 488 . 1 1 4 . HA H 30.886 41.721 21.401 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 4 . 489 . 1 1 4 . HB2 H 28.406 41.211 19.635 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 4 . 490 . 1 1 4 . HB3 H 30.070 41.339 19.284 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 4 . 491 . 1 1 4 . HE21 H 26.902 43.881 18.866 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 4 . 492 . 1 1 4 . HE22 H 27.003 43.928 17.088 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 4 . 493 . 1 1 4 . HG2 H 30.284 43.599 19.593 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 4 . 494 . 1 1 4 . HG3 H 28.716 43.851 20.227 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 4 . 495 . 1 1 4 . N N 29.078 42.038 22.340 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 4 . 496 . 1 1 4 . NE2 N 27.428 43.829 17.999 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 4 . 497 . 1 1 4 . O O 30.684 39.194 20.825 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 4 . 498 . 1 1 4 . OE1 O 29.505 43.445 17.171 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 4 . 499 . 1 1 5 ARG C C 28.797 37.299 23.373 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 4 . 500 . 1 1 5 ARG CA C 30.053 38.155 23.348 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 4 . 501 . 1 1 5 ARG CB C 30.678 38.382 24.722 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 4 . 502 . 1 1 5 ARG CD C 32.770 39.292 25.969 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 4 . 503 . 1 1 5 ARG CG C 31.965 39.202 24.679 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 4 . 504 . 1 1 5 ARG CZ C 33.387 37.666 27.797 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 4 . 505 . 1 1 5 ARG H H 29.062 40.017 23.344 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 4 . 506 . 1 1 5 ARG HA H 30.726 37.624 22.689 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 4 . 507 . 1 1 5 ARG HB2 H 30.084 38.833 25.520 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 4 . 508 . 1 1 5 ARG HB3 H 31.063 37.408 25.030 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 4 . 509 . 1 1 5 ARG HD2 H 33.632 39.940 25.787 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 4 . 510 . 1 1 5 ARG HD3 H 32.195 39.742 26.771 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 4 . 511 . 1 1 5 ARG HE H 33.098 37.214 25.884 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 4 . 512 . 1 1 5 ARG HG2 H 32.602 38.746 23.921 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 4 . 513 . 1 1 5 ARG HG3 H 31.732 40.223 24.392 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 4 . 514 . 1 1 5 ARG HH11 H 33.185 35.671 27.581 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 4 . 515 . 1 1 5 ARG HH12 H 33.505 36.227 29.224 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 4 . 516 . 1 1 5 ARG HH21 H 33.595 39.625 28.433 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 4 . 517 . 1 1 5 ARG HH22 H 33.603 38.378 29.660 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 4 . 518 . 1 1 5 ARG N N 29.612 39.402 22.754 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 4 . 519 . 1 1 5 ARG NE N 33.208 37.993 26.507 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 4 . 520 . 1 1 5 ARG NH1 N 33.312 36.416 28.260 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 4 . 521 . 1 1 5 ARG NH2 N 33.583 38.650 28.682 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 4 . 522 . 1 1 5 ARG O O 27.886 37.410 24.198 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 4 . 523 . 1 1 6 . C C 26.469 35.516 22.722 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 4 . 524 . 1 1 6 . CA C 27.459 36.062 21.705 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 4 . 525 . 1 1 6 . CB C 26.888 36.950 20.596 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 4 . 526 . 1 1 6 . CD C 26.374 39.185 19.616 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 4 . 527 . 1 1 6 . CG C 26.892 38.451 20.845 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 4 . 528 . 1 1 6 . H H 29.527 36.669 21.718 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 4 . 529 . 1 1 6 . HA H 27.732 35.208 21.084 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 4 . 530 . 1 1 6 . HB2 H 25.856 36.703 20.341 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 4 . 531 . 1 1 6 . HB3 H 27.512 36.713 19.729 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 4 . 532 . 1 1 6 . HG2 H 27.918 38.829 20.920 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 4 . 533 . 1 1 6 . HG3 H 26.270 38.683 21.700 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 4 . 534 . 1 1 6 . N N 28.700 36.533 22.281 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 4 . 535 . 1 1 6 . O O 25.309 35.929 22.752 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 4 . 536 . 1 1 6 . OE1 O 26.989 39.072 18.532 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 4 . 537 . 1 1 6 . OE2 O 25.364 39.920 19.683 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 4 . 538 . 1 1 7 PRO C C 25.317 35.109 25.538 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 4 . 539 . 1 1 7 PRO CA C 25.988 34.051 24.688 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 4 . 540 . 1 1 7 PRO CB C 26.922 33.269 25.604 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 4 . 541 . 1 1 7 PRO CD C 28.012 33.785 23.554 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 4 . 542 . 1 1 7 PRO CG C 27.849 32.654 24.558 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 4 . 543 . 1 1 7 PRO HA H 25.197 33.461 24.221 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 4 . 544 . 1 1 7 PRO HB2 H 27.534 33.885 26.263 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 4 . 545 . 1 1 7 PRO HB3 H 26.459 32.429 26.118 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 4 . 546 . 1 1 7 PRO HD2 H 28.853 34.375 23.921 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 4 . 547 . 1 1 7 PRO HD3 H 27.964 33.503 22.501 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 4 . 548 . 1 1 7 PRO HG2 H 28.762 32.271 25.017 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 4 . 549 . 1 1 7 PRO HG3 H 27.454 31.800 24.004 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 4 . 550 . 1 1 7 PRO N N 26.821 34.600 23.636 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 4 . 551 . 1 1 7 PRO O O 24.264 34.942 26.146 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 4 . 552 . 1 1 8 GLN C C 24.304 38.266 25.834 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 4 . 553 . 1 1 8 GLN CA C 25.304 37.362 26.525 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 4 . 554 . 1 1 8 GLN CB C 26.546 38.107 26.994 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 4 . 555 . 1 1 8 GLN CD C 27.506 39.780 28.626 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 4 . 556 . 1 1 8 GLN CG C 26.342 38.862 28.312 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 4 . 557 . 1 1 8 GLN H H 26.679 36.561 25.158 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 4 . 558 . 1 1 8 GLN HA H 24.739 36.913 27.347 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 4 . 559 . 1 1 8 GLN HB2 H 27.339 37.384 27.203 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 4 . 560 . 1 1 8 GLN HB3 H 26.849 38.850 26.269 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 4 . 561 . 1 1 8 GLN HE21 H 27.653 40.605 26.756 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 4 . 562 . 1 1 8 GLN HE22 H 28.784 41.220 27.889 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 4 . 563 . 1 1 8 GLN HG2 H 25.423 39.456 28.330 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 4 . 564 . 1 1 8 GLN HG3 H 26.189 38.150 29.119 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 4 . 565 . 1 1 8 GLN N N 25.807 36.352 25.612 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 4 . 566 . 1 1 8 GLN NE2 N 27.997 40.608 27.703 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 4 . 567 . 1 1 8 GLN O O 23.809 39.169 26.514 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 4 . 568 . 1 1 8 GLN OE1 O 27.975 39.770 29.763 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 5 . 569 . 1 1 1 . C C 23.505 40.333 24.337 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 5 . 570 . 1 1 1 . CA C 23.069 38.880 24.386 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 5 . 571 . 1 1 1 . CB C 22.585 38.305 23.053 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 5 . 572 . 1 1 1 . CD C 20.708 38.191 21.314 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 5 . 573 . 1 1 1 . CG C 21.314 38.930 22.502 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 5 . 574 . 1 1 1 . CZ C 22.584 37.801 19.670 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 5 . 575 . 1 1 1 . H1 H 24.484 37.328 24.432 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 5 . 576 . 1 1 1 . HA H 22.184 38.818 25.019 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 5 . 577 . 1 1 1 . HB2 H 22.336 37.252 23.181 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 5 . 578 . 1 1 1 . HB3 H 23.412 38.324 22.347 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 5 . 579 . 1 1 1 . HD2 H 19.724 38.609 21.063 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 5 . 580 . 1 1 1 . HD3 H 20.664 37.127 21.543 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 5 . 581 . 1 1 1 . HE H 21.222 39.208 19.503 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 5 . 582 . 1 1 1 . HG2 H 21.569 39.945 22.195 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 5 . 583 . 1 1 1 . HG3 H 20.533 39.090 23.252 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 5 . 584 . 1 1 1 . HH11 H 22.542 38.876 17.886 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 5 . 585 . 1 1 1 . HH12 H 23.670 37.514 18.060 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 5 . 586 . 1 1 1 . HH21 H 22.676 36.407 21.173 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 5 . 587 . 1 1 1 . HH22 H 23.809 36.222 19.905 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 5 . 588 . 1 1 1 . N N 23.969 37.955 25.032 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 5 . 589 . 1 1 1 . NE N 21.528 38.474 20.131 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 5 . 590 . 1 1 1 . NH1 N 22.965 38.145 18.431 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 5 . 591 . 1 1 1 . NH2 N 23.152 36.812 20.381 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 5 . 592 . 1 1 1 . O O 22.669 41.208 24.101 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 5 . 593 . 1 1 2 GLN C C 26.788 42.050 24.309 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 5 . 594 . 1 1 2 GLN CA C 25.310 41.984 24.647 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 5 . 595 . 1 1 2 GLN CB C 25.139 42.498 26.069 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 5 . 596 . 1 1 2 GLN CD C 22.976 43.735 25.586 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 5 . 597 . 1 1 2 GLN CG C 23.691 42.742 26.482 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 5 . 598 . 1 1 2 GLN H H 25.337 39.815 24.757 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 5 . 599 . 1 1 2 GLN HA H 24.806 42.594 23.898 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 5 . 600 . 1 1 2 GLN HB2 H 25.596 41.702 26.659 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 5 . 601 . 1 1 2 GLN HB3 H 25.668 43.441 26.153 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 5 . 602 . 1 1 2 GLN HE21 H 21.227 43.456 26.574 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 5 . 603 . 1 1 2 GLN HE22 H 21.056 44.265 25.102 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 5 . 604 . 1 1 2 GLN HG2 H 23.194 41.769 26.472 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 5 . 605 . 1 1 2 GLN HG3 H 23.637 43.113 27.505 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 5 . 606 . 1 1 2 GLN N N 24.793 40.638 24.548 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 5 . 607 . 1 1 2 GLN NE2 N 21.679 43.971 25.838 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 5 . 608 . 1 1 2 GLN O O 27.510 41.131 24.664 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 5 . 609 . 1 1 2 GLN OE1 O 23.456 44.303 24.613 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 5 . 610 . 1 1 3 DPR C C 29.674 42.755 23.092 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 5 . 611 . 1 1 3 DPR CA C 28.633 43.634 23.788 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 5 . 612 . 1 1 3 DPR CB C 28.689 44.994 23.085 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 5 . 613 . 1 1 3 DPR CD C 26.551 43.979 22.775 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 5 . 614 . 1 1 3 DPR CG C 27.566 44.875 22.066 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 5 . 615 . 1 1 3 DPR HA H 28.929 43.622 24.831 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 5 . 616 . 1 1 3 DPR HB2 H 29.652 45.238 22.641 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 5 . 617 . 1 1 3 DPR HB3 H 28.462 45.726 23.857 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 5 . 618 . 1 1 3 DPR HD2 H 26.001 43.319 22.101 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 5 . 619 . 1 1 3 DPR HD3 H 25.848 44.590 23.322 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 5 . 620 . 1 1 3 DPR HG2 H 27.890 44.454 21.115 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 5 . 621 . 1 1 3 DPR HG3 H 27.125 45.840 21.800 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 5 . 622 . 1 1 3 DPR N N 27.273 43.155 23.724 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 5 . 623 . 1 1 3 DPR O O 30.862 42.903 23.377 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 5 . 624 . 1 1 4 . C C 30.689 39.870 22.003 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 5 . 625 . 1 1 4 . CA C 30.253 41.169 21.321 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 5 . 626 . 1 1 4 . CB C 29.599 40.822 19.985 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 5 . 627 . 1 1 4 . CD C 28.598 41.731 17.841 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 5 . 628 . 1 1 4 . CG C 29.158 42.072 19.216 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 5 . 629 . 1 1 4 . H H 28.380 41.961 21.743 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 5 . 630 . 1 1 4 . HA H 31.177 41.729 21.178 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 5 . 631 . 1 1 4 . HB2 H 28.737 40.181 20.128 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 5 . 632 . 1 1 4 . HB3 H 30.343 40.294 19.394 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 5 . 633 . 1 1 4 . HE21 H 26.773 42.553 18.134 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 5 . 634 . 1 1 4 . HE22 H 27.067 42.015 16.501 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 5 . 635 . 1 1 4 . HG2 H 30.000 42.737 19.044 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 5 . 636 . 1 1 4 . HG3 H 28.384 42.598 19.765 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 5 . 637 . 1 1 4 . N N 29.304 41.885 22.146 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 5 . 638 . 1 1 4 . NE2 N 27.377 42.094 17.454 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 5 . 639 . 1 1 4 . O O 31.647 39.228 21.586 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 5 . 640 . 1 1 4 . OE1 O 29.201 41.041 17.027 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 5 . 641 . 1 1 5 ARG C C 28.867 37.488 23.705 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 5 . 642 . 1 1 5 ARG CA C 30.175 38.266 23.807 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 5 . 643 . 1 1 5 ARG CB C 30.450 38.679 25.250 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 5 . 644 . 1 1 5 ARG CD C 33.062 38.745 25.096 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 5 . 645 . 1 1 5 ARG CG C 31.757 39.451 25.434 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 5 . 646 . 1 1 5 ARG CZ C 34.485 38.189 27.061 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 5 . 647 . 1 1 5 ARG H H 29.249 40.086 23.433 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 5 . 648 . 1 1 5 ARG HA H 30.987 37.669 23.392 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 5 . 649 . 1 1 5 ARG HB2 H 29.679 39.335 25.642 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 5 . 650 . 1 1 5 ARG HB3 H 30.525 37.777 25.864 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 5 . 651 . 1 1 5 ARG HD2 H 32.955 38.213 24.157 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 5 . 652 . 1 1 5 ARG HD3 H 33.709 39.605 24.909 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 5 . 653 . 1 1 5 ARG HE H 33.306 36.879 26.039 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 5 . 654 . 1 1 5 ARG HG2 H 31.727 40.377 24.870 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 5 . 655 . 1 1 5 ARG HG3 H 31.841 39.663 26.495 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 5 . 656 . 1 1 5 ARG HH11 H 34.552 36.334 27.750 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 5 . 657 . 1 1 5 ARG HH12 H 35.614 37.553 28.590 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 5 . 658 . 1 1 5 ARG HH21 H 34.366 40.238 26.770 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 5 . 659 . 1 1 5 ARG HH22 H 35.616 39.706 27.827 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 5 . 660 . 1 1 5 ARG N N 30.021 39.527 23.105 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 5 . 661 . 1 1 5 ARG NE N 33.600 37.836 26.113 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 5 . 662 . 1 1 5 ARG NH1 N 34.967 37.247 27.883 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 5 . 663 . 1 1 5 ARG NH2 N 34.852 39.473 27.221 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 5 . 664 . 1 1 5 ARG O O 28.057 37.453 24.626 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 5 . 665 . 1 1 6 . C C 26.307 35.966 22.653 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 5 . 666 . 1 1 6 . CA C 27.374 36.626 21.797 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 5 . 667 . 1 1 6 . CB C 26.869 37.848 21.035 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 5 . 668 . 1 1 6 . CD C 26.015 40.264 21.161 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 5 . 669 . 1 1 6 . CG C 26.505 39.045 21.921 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 5 . 670 . 1 1 6 . H H 29.426 37.122 21.939 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 5 . 671 . 1 1 6 . HA H 27.670 35.967 20.974 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 5 . 672 . 1 1 6 . HB2 H 25.995 37.541 20.460 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 5 . 673 . 1 1 6 . HB3 H 27.557 38.069 20.215 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 5 . 674 . 1 1 6 . HG2 H 27.430 39.324 22.436 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 5 . 675 . 1 1 6 . HG3 H 25.766 38.783 22.676 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 5 . 676 . 1 1 6 . N N 28.591 37.003 22.495 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 5 . 677 . 1 1 6 . O O 25.236 36.553 22.847 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 5 . 678 . 1 1 6 . OE1 O 24.952 40.308 20.498 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 5 . 679 . 1 1 6 . OE2 O 26.674 41.319 21.134 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 5 . 680 . 1 1 7 PRO C C 25.060 34.978 25.292 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 5 . 681 . 1 1 7 PRO CA C 25.634 34.163 24.142 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 5 . 682 . 1 1 7 PRO CB C 26.472 33.001 24.707 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 5 . 683 . 1 1 7 PRO CD C 27.759 34.057 22.941 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 5 . 684 . 1 1 7 PRO CG C 27.412 32.701 23.537 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 5 . 685 . 1 1 7 PRO HA H 24.843 33.757 23.514 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 5 . 686 . 1 1 7 PRO HB2 H 27.157 33.285 25.508 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 5 . 687 . 1 1 7 PRO HB3 H 25.842 32.150 24.971 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 5 . 688 . 1 1 7 PRO HD2 H 28.657 34.443 23.408 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 5 . 689 . 1 1 7 PRO HD3 H 27.983 33.964 21.873 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 5 . 690 . 1 1 7 PRO HG2 H 28.355 32.192 23.742 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 5 . 691 . 1 1 7 PRO HG3 H 26.873 32.104 22.810 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 5 . 692 . 1 1 7 PRO N N 26.598 34.845 23.311 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 5 . 693 . 1 1 7 PRO O O 24.051 34.617 25.899 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 5 . 694 . 1 1 8 GLN C C 24.090 37.785 26.354 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 5 . 695 . 1 1 8 GLN CA C 25.221 36.888 26.832 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 5 . 696 . 1 1 8 GLN CB C 26.483 37.648 27.214 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 5 . 697 . 1 1 8 GLN CD C 27.643 39.081 28.957 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 5 . 698 . 1 1 8 GLN CG C 26.346 38.418 28.523 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 5 . 699 . 1 1 8 GLN H H 26.531 36.459 25.316 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 5 . 700 . 1 1 8 GLN HA H 24.849 36.234 27.621 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 5 . 701 . 1 1 8 GLN HB2 H 27.391 37.066 27.363 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 5 . 702 . 1 1 8 GLN HB3 H 26.710 38.413 26.472 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 5 . 703 . 1 1 8 GLN HE21 H 27.875 39.933 27.091 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 5 . 704 . 1 1 8 GLN HE22 H 29.079 40.346 28.251 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 5 . 705 . 1 1 8 GLN HG2 H 25.644 39.245 28.468 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 5 . 706 . 1 1 8 GLN HG3 H 26.007 37.798 29.355 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 5 . 707 . 1 1 8 GLN N N 25.717 36.040 25.767 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 5 . 708 . 1 1 8 GLN NE2 N 28.263 39.800 28.013 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 5 . 709 . 1 1 8 GLN O O 23.400 38.398 27.155 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 5 . 710 . 1 1 8 GLN OE1 O 28.133 39.024 30.092 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 6 . 711 . 1 1 1 . C C 23.795 40.473 23.934 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 6 . 712 . 1 1 1 . CA C 23.380 39.013 23.896 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 6 . 713 . 1 1 1 . CB C 23.204 38.429 22.495 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 6 . 714 . 1 1 1 . CD C 21.665 38.079 20.513 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 6 . 715 . 1 1 1 . CG C 22.051 38.984 21.673 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 6 . 716 . 1 1 1 . CZ C 22.904 36.760 18.829 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 6 . 717 . 1 1 1 . H1 H 24.792 37.464 24.229 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 6 . 718 . 1 1 1 . HA H 22.375 38.943 24.322 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 6 . 719 . 1 1 1 . HB2 H 23.128 37.350 22.641 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 6 . 720 . 1 1 1 . HB3 H 24.109 38.612 21.917 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 6 . 721 . 1 1 1 . HD2 H 20.738 38.337 20.003 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 6 . 722 . 1 1 1 . HD3 H 21.405 37.120 20.963 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 6 . 723 . 1 1 1 . HE H 23.629 38.399 19.836 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 6 . 724 . 1 1 1 . HG2 H 22.391 39.981 21.389 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 6 . 725 . 1 1 1 . HG3 H 21.187 39.193 22.299 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 6 . 726 . 1 1 1 . HH11 H 24.806 37.214 18.144 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 6 . 727 . 1 1 1 . HH12 H 24.150 35.728 17.590 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 6 . 728 . 1 1 1 . HH21 H 21.094 35.994 19.149 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 6 . 729 . 1 1 1 . HH22 H 22.008 35.160 17.874 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 6 . 730 . 1 1 1 . N N 24.201 38.132 24.700 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 6 . 731 . 1 1 1 . NE N 22.828 37.814 19.656 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 6 . 732 . 1 1 1 . NH1 N 24.030 36.557 18.151 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 6 . 733 . 1 1 1 . NH2 N 21.920 35.875 18.581 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 6 . 734 . 1 1 1 . O O 23.028 41.286 23.430 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 6 . 735 . 1 1 2 GLN C C 26.955 42.242 24.558 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 6 . 736 . 1 1 2 GLN CA C 25.466 42.135 24.842 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 6 . 737 . 1 1 2 GLN CB C 25.152 42.434 26.304 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 6 . 738 . 1 1 2 GLN CD C 22.880 43.491 25.863 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 6 . 739 . 1 1 2 GLN CG C 23.671 42.494 26.688 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 6 . 740 . 1 1 2 GLN H H 25.522 40.063 24.838 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 6 . 741 . 1 1 2 GLN HA H 24.949 42.826 24.173 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 6 . 742 . 1 1 2 GLN HB2 H 25.484 41.606 26.926 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 6 . 743 . 1 1 2 GLN HB3 H 25.737 43.252 26.709 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 6 . 744 . 1 1 2 GLN HE21 H 21.221 42.547 26.420 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 6 . 745 . 1 1 2 GLN HE22 H 20.840 43.961 25.643 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 6 . 746 . 1 1 2 GLN HG2 H 23.213 41.516 26.582 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 6 . 747 . 1 1 2 GLN HG3 H 23.525 42.674 27.762 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 6 . 748 . 1 1 2 GLN N N 24.977 40.822 24.451 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 6 . 749 . 1 1 2 GLN NE2 N 21.561 43.274 25.812 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 6 . 750 . 1 1 2 GLN O O 27.653 41.284 24.864 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 6 . 751 . 1 1 2 GLN OE1 O 23.337 44.467 25.276 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 6 . 752 . 1 1 3 DPR C C 29.686 42.823 23.348 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 6 . 753 . 1 1 3 DPR CA C 28.834 43.717 24.240 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 6 . 754 . 1 1 3 DPR CB C 28.939 45.188 23.846 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 6 . 755 . 1 1 3 DPR CD C 26.687 44.508 23.592 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 6 . 756 . 1 1 3 DPR CG C 27.743 45.391 22.918 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 6 . 757 . 1 1 3 DPR HA H 29.138 43.626 25.275 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 6 . 758 . 1 1 3 DPR HB2 H 29.892 45.397 23.359 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 6 . 759 . 1 1 3 DPR HB3 H 28.780 45.829 24.714 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 6 . 760 . 1 1 3 DPR HD2 H 25.918 44.168 22.895 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 6 . 761 . 1 1 3 DPR HD3 H 26.157 44.890 24.472 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 6 . 762 . 1 1 3 DPR HG2 H 28.011 45.044 21.920 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 6 . 763 . 1 1 3 DPR HG3 H 27.389 46.414 22.857 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 6 . 764 . 1 1 3 DPR N N 27.451 43.339 23.985 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 6 . 765 . 1 1 3 DPR O O 30.850 42.689 23.718 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 6 . 766 . 1 1 4 . C C 30.052 40.072 21.722 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 6 . 767 . 1 1 4 . CA C 29.913 41.513 21.281 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 6 . 768 . 1 1 4 . CB C 29.174 41.544 19.953 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 6 . 769 . 1 1 4 . CD C 28.586 42.880 17.938 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 6 . 770 . 1 1 4 . CG C 29.137 42.950 19.352 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 6 . 771 . 1 1 4 . H H 28.205 42.582 22.052 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 6 . 772 . 1 1 4 . HA H 30.869 41.990 21.064 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 6 . 773 . 1 1 4 . HB2 H 28.152 41.194 20.027 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 6 . 774 . 1 1 4 . HB3 H 29.810 40.907 19.334 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 6 . 775 . 1 1 4 . HE21 H 27.017 44.203 18.166 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 6 . 776 . 1 1 4 . HE22 H 27.045 43.143 16.740 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 6 . 777 . 1 1 4 . HG2 H 30.089 43.490 19.283 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 6 . 778 . 1 1 4 . HG3 H 28.501 43.549 19.992 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 6 . 779 . 1 1 4 . N N 29.167 42.340 22.213 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 6 . 780 . 1 1 4 . NE2 N 27.427 43.458 17.622 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 6 . 781 . 1 1 4 . O O 30.823 39.347 21.095 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 6 . 782 . 1 1 4 . OE1 O 29.104 42.235 17.029 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 6 . 783 . 1 1 5 ARG C C 28.416 37.515 23.325 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 6 . 784 . 1 1 5 ARG CA C 29.634 38.414 23.507 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 6 . 785 . 1 1 5 ARG CB C 29.941 38.589 24.991 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 6 . 786 . 1 1 5 ARG CD C 32.444 38.901 24.851 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 6 . 787 . 1 1 5 ARG CG C 31.124 39.501 25.311 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 6 . 788 . 1 1 5 ARG CZ C 34.656 40.051 24.774 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 6 . 789 . 1 1 5 ARG H H 28.678 40.300 23.096 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 6 . 790 . 1 1 5 ARG HA H 30.467 37.840 23.096 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 6 . 791 . 1 1 5 ARG HB2 H 29.043 39.076 25.378 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 6 . 792 . 1 1 5 ARG HB3 H 30.089 37.663 25.543 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 6 . 793 . 1 1 5 ARG HD2 H 32.499 37.849 25.110 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 6 . 794 . 1 1 5 ARG HD3 H 32.359 39.017 23.764 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 6 . 795 . 1 1 5 ARG HE H 33.715 39.505 26.448 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 6 . 796 . 1 1 5 ARG HG2 H 30.930 40.508 24.952 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 6 . 797 . 1 1 5 ARG HG3 H 31.105 39.499 26.412 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 6 . 798 . 1 1 5 ARG HH11 H 35.411 40.824 26.548 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 6 . 799 . 1 1 5 ARG HH12 H 36.284 41.241 25.140 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 6 . 800 . 1 1 5 ARG HH21 H 34.072 39.840 22.773 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 6 . 801 . 1 1 5 ARG HH22 H 35.573 40.603 23.032 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 6 . 802 . 1 1 5 ARG N N 29.439 39.689 22.846 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 6 . 803 . 1 1 5 ARG NE N 33.669 39.442 25.441 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 6 . 804 . 1 1 5 ARG NH1 N 35.522 40.717 25.550 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 6 . 805 . 1 1 5 ARG NH2 N 34.752 40.172 23.447 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 6 . 806 . 1 1 5 ARG O O 27.336 37.861 23.790 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 6 . 807 . 1 1 6 . C C 26.326 35.364 22.701 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 6 . 808 . 1 1 6 . CA C 27.430 35.853 21.769 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 6 . 809 . 1 1 6 . CB C 26.932 36.539 20.506 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 6 . 810 . 1 1 6 . CD C 25.953 38.747 19.579 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 6 . 811 . 1 1 6 . CG C 26.732 38.041 20.683 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 6 . 812 . 1 1 6 . H H 29.463 36.320 22.119 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 6 . 813 . 1 1 6 . HA H 27.922 34.970 21.354 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 6 . 814 . 1 1 6 . HB2 H 25.976 36.068 20.263 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 6 . 815 . 1 1 6 . HB3 H 27.694 36.395 19.741 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 6 . 816 . 1 1 6 . HG2 H 27.707 38.538 20.681 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 6 . 817 . 1 1 6 . HG3 H 26.287 38.246 21.661 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 6 . 818 . 1 1 6 . N N 28.524 36.564 22.392 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 6 . 819 . 1 1 6 . O O 25.243 35.931 22.676 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 6 . 820 . 1 1 6 . OE1 O 26.156 38.463 18.379 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 6 . 821 . 1 1 6 . OE2 O 25.165 39.689 19.778 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 6 . 822 . 1 1 7 PRO C C 25.095 34.969 25.399 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 6 . 823 . 1 1 7 PRO CA C 25.717 33.885 24.535 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 6 . 824 . 1 1 7 PRO CB C 26.490 32.901 25.405 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 6 . 825 . 1 1 7 PRO CD C 27.786 33.460 23.469 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 6 . 826 . 1 1 7 PRO CG C 27.451 32.289 24.387 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 6 . 827 . 1 1 7 PRO HA H 24.916 33.315 24.060 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 6 . 828 . 1 1 7 PRO HB2 H 27.157 33.418 26.098 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 6 . 829 . 1 1 7 PRO HB3 H 25.895 32.152 25.926 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 6 . 830 . 1 1 7 PRO HD2 H 28.612 34.063 23.833 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 6 . 831 . 1 1 7 PRO HD3 H 28.039 33.012 22.505 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 6 . 832 . 1 1 7 PRO HG2 H 28.353 31.876 24.841 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 6 . 833 . 1 1 7 PRO HG3 H 26.959 31.542 23.764 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 6 . 834 . 1 1 7 PRO N N 26.616 34.315 23.481 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 6 . 835 . 1 1 7 PRO O O 23.945 34.770 25.792 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 6 . 836 . 1 1 8 GLN C C 24.284 38.027 26.028 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 6 . 837 . 1 1 8 GLN CA C 25.296 37.081 26.649 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 6 . 838 . 1 1 8 GLN CB C 26.515 37.914 27.040 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 6 . 839 . 1 1 8 GLN CD C 27.527 39.656 28.673 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 6 . 840 . 1 1 8 GLN CG C 26.290 38.925 28.165 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 6 . 841 . 1 1 8 GLN H H 26.733 36.021 25.384 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 6 . 842 . 1 1 8 GLN HA H 24.917 36.676 27.595 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 6 . 843 . 1 1 8 GLN HB2 H 27.292 37.234 27.375 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 6 . 844 . 1 1 8 GLN HB3 H 26.893 38.505 26.207 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 6 . 845 . 1 1 8 GLN HE21 H 28.119 40.264 26.804 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 6 . 846 . 1 1 8 GLN HE22 H 29.167 40.702 28.067 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 6 . 847 . 1 1 8 GLN HG2 H 25.612 39.670 27.751 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 6 . 848 . 1 1 8 GLN HG3 H 25.772 38.438 28.989 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 6 . 849 . 1 1 8 GLN N N 25.794 36.039 25.767 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 6 . 850 . 1 1 8 GLN NE2 N 28.382 40.131 27.766 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 6 . 851 . 1 1 8 GLN O O 23.621 38.846 26.661 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 6 . 852 . 1 1 8 GLN OE1 O 27.817 39.785 29.861 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 7 . 853 . 1 1 1 . C C 23.493 40.610 24.117 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 7 . 854 . 1 1 1 . CA C 23.096 39.150 23.958 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 7 . 855 . 1 1 1 . CB C 22.940 38.737 22.498 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 7 . 856 . 1 1 1 . CD C 21.490 38.732 20.512 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 7 . 857 . 1 1 1 . CG C 21.720 39.407 21.859 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 7 . 858 . 1 1 1 . CZ C 22.179 39.066 18.138 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 7 . 859 . 1 1 1 . H1 H 24.559 37.629 23.894 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 7 . 860 . 1 1 1 . HA H 22.175 39.081 24.528 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 7 . 861 . 1 1 1 . HB2 H 22.669 37.680 22.456 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 7 . 862 . 1 1 1 . HB3 H 23.827 38.893 21.892 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 7 . 863 . 1 1 1 . HD2 H 20.479 39.015 20.234 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 7 . 864 . 1 1 1 . HD3 H 21.479 37.640 20.574 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 7 . 865 . 1 1 1 . HE H 23.414 39.210 19.641 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 7 . 866 . 1 1 1 . HG2 H 22.055 40.432 21.709 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 7 . 867 . 1 1 1 . HG3 H 20.842 39.298 22.498 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 7 . 868 . 1 1 1 . HH11 H 24.017 38.461 17.810 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 7 . 869 . 1 1 1 . HH12 H 23.020 38.529 16.362 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 7 . 870 . 1 1 1 . HH21 H 20.142 39.603 18.047 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 7 . 871 . 1 1 1 . HH22 H 20.929 39.343 16.573 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 7 . 872 . 1 1 1 . N N 24.034 38.208 24.537 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 7 . 873 . 1 1 1 . NE N 22.430 39.052 19.447 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 7 . 874 . 1 1 1 . NH1 N 23.212 38.812 17.318 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 7 . 875 . 1 1 1 . NH2 N 20.999 39.358 17.578 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 7 . 876 . 1 1 1 . O O 22.760 41.543 23.807 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 7 . 877 . 1 1 2 GLN C C 26.766 42.135 24.520 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 7 . 878 . 1 1 2 GLN CA C 25.272 42.144 24.817 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 7 . 879 . 1 1 2 GLN CB C 25.043 42.588 26.259 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 7 . 880 . 1 1 2 GLN CD C 22.927 44.092 25.975 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 7 . 881 . 1 1 2 GLN CG C 23.614 42.928 26.674 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 7 . 882 . 1 1 2 GLN H H 25.441 40.109 24.563 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 7 . 883 . 1 1 2 GLN HA H 24.834 42.788 24.057 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 7 . 884 . 1 1 2 GLN HB2 H 25.335 41.786 26.950 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 7 . 885 . 1 1 2 GLN HB3 H 25.665 43.426 26.579 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 7 . 886 . 1 1 2 GLN HE21 H 21.239 44.321 27.267 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 7 . 887 . 1 1 2 GLN HE22 H 21.534 45.442 25.992 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 7 . 888 . 1 1 2 GLN HG2 H 22.961 42.086 26.449 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 7 . 889 . 1 1 2 GLN HG3 H 23.569 43.105 27.745 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 7 . 890 . 1 1 2 GLN N N 24.744 40.833 24.521 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 7 . 891 . 1 1 2 GLN NE2 N 21.787 44.580 26.460 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 7 . 892 . 1 1 2 GLN O O 27.398 41.071 24.511 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 7 . 893 . 1 1 2 GLN OE1 O 23.391 44.716 25.021 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 7 . 894 . 1 1 3 DPR C C 29.736 42.792 23.370 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 7 . 895 . 1 1 3 DPR CA C 28.869 43.485 24.416 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 7 . 896 . 1 1 3 DPR CB C 29.147 44.978 24.273 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 7 . 897 . 1 1 3 DPR CD C 26.801 44.542 24.126 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 7 . 898 . 1 1 3 DPR CG C 27.794 45.648 24.500 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 7 . 899 . 1 1 3 DPR HA H 29.306 43.271 25.388 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 7 . 900 . 1 1 3 DPR HB2 H 29.510 45.177 23.271 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 7 . 901 . 1 1 3 DPR HB3 H 29.826 45.225 25.083 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 7 . 902 . 1 1 3 DPR HD2 H 26.463 44.721 23.103 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 7 . 903 . 1 1 3 DPR HD3 H 25.906 44.661 24.728 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 7 . 904 . 1 1 3 DPR HG2 H 27.541 46.513 23.876 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 7 . 905 . 1 1 3 DPR HG3 H 27.677 45.925 25.545 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 7 . 906 . 1 1 3 DPR N N 27.440 43.269 24.325 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 7 . 907 . 1 1 3 DPR O O 30.954 42.888 23.479 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 7 . 908 . 1 1 4 . C C 30.091 40.043 21.708 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 7 . 909 . 1 1 4 . CA C 29.753 41.458 21.294 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 7 . 910 . 1 1 4 . CB C 28.822 41.409 20.080 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 7 . 911 . 1 1 4 . CD C 28.553 44.008 19.985 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 7 . 912 . 1 1 4 . CG C 28.871 42.702 19.270 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 7 . 913 . 1 1 4 . H H 28.112 42.405 22.255 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 7 . 914 . 1 1 4 . HA H 30.676 41.933 20.956 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 7 . 915 . 1 1 4 . HB2 H 27.820 41.327 20.498 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 7 . 916 . 1 1 4 . HB3 H 28.953 40.480 19.521 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 7 . 917 . 1 1 4 . HE21 H 26.587 43.564 20.345 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 7 . 918 . 1 1 4 . HE22 H 27.130 45.170 20.796 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 7 . 919 . 1 1 4 . HG2 H 28.105 42.535 18.529 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 7 . 920 . 1 1 4 . HG3 H 29.840 42.832 18.778 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 7 . 921 . 1 1 4 . N N 29.105 42.238 22.335 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 7 . 922 . 1 1 4 . NE2 N 27.300 44.283 20.338 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 7 . 923 . 1 1 4 . O O 30.676 39.263 20.960 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 7 . 924 . 1 1 4 . OE1 O 29.465 44.746 20.374 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 7 . 925 . 1 1 5 ARG C C 28.660 37.488 23.199 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 7 . 926 . 1 1 5 ARG CA C 29.947 38.261 23.447 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 7 . 927 . 1 1 5 ARG CB C 30.250 38.265 24.937 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 7 . 928 . 1 1 5 ARG CD C 31.885 39.005 26.683 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 7 . 929 . 1 1 5 ARG CG C 31.530 39.054 25.195 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 7 . 930 . 1 1 5 ARG CZ C 33.484 40.107 28.208 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 7 . 931 . 1 1 5 ARG H H 29.304 40.285 23.510 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 7 . 932 . 1 1 5 ARG HA H 30.791 37.736 22.991 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 7 . 933 . 1 1 5 ARG HB2 H 29.372 38.624 25.473 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 7 . 934 . 1 1 5 ARG HB3 H 30.410 37.215 25.192 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 7 . 935 . 1 1 5 ARG HD2 H 30.968 39.202 27.255 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 7 . 936 . 1 1 5 ARG HD3 H 32.105 37.979 26.967 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 7 . 937 . 1 1 5 ARG HE H 33.090 40.730 26.326 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 7 . 938 . 1 1 5 ARG HG2 H 32.410 38.783 24.610 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 7 . 939 . 1 1 5 ARG HG3 H 31.402 40.085 24.876 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 7 . 940 . 1 1 5 ARG HH11 H 35.004 41.201 27.564 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 7 . 941 . 1 1 5 ARG HH12 H 35.119 40.773 29.271 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 7 . 942 . 1 1 5 ARG HH21 H 32.215 38.925 29.233 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 7 . 943 . 1 1 5 ARG HH22 H 33.554 39.357 30.192 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 7 . 944 . 1 1 5 ARG N N 29.737 39.592 22.924 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 7 . 945 . 1 1 5 ARG NE N 32.855 40.037 27.032 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 7 . 946 . 1 1 5 ARG NH1 N 34.588 40.841 28.420 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 7 . 947 . 1 1 5 ARG NH2 N 33.104 39.409 29.290 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 7 . 948 . 1 1 5 ARG O O 27.632 37.712 23.840 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 7 . 949 . 1 1 6 . C C 26.436 35.303 22.657 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 7 . 950 . 1 1 6 . CA C 27.515 35.835 21.710 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 7 . 951 . 1 1 6 . CB C 26.963 36.651 20.549 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 7 . 952 . 1 1 6 . CD C 25.748 38.633 19.625 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 7 . 953 . 1 1 6 . CG C 26.509 38.092 20.825 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 7 . 954 . 1 1 6 . H H 29.503 36.331 21.761 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 7 . 955 . 1 1 6 . HA H 27.918 34.929 21.257 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 7 . 956 . 1 1 6 . HB2 H 26.121 36.102 20.129 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 7 . 957 . 1 1 6 . HB3 H 27.697 36.687 19.742 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 7 . 958 . 1 1 6 . HG2 H 27.380 38.727 20.974 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 7 . 959 . 1 1 6 . HG3 H 25.809 38.095 21.658 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 7 . 960 . 1 1 6 . N N 28.659 36.508 22.280 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 7 . 961 . 1 1 6 . O O 25.351 35.875 22.555 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 7 . 962 . 1 1 6 . OE1 O 25.297 39.791 19.742 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 7 . 963 . 1 1 6 . OE2 O 25.769 38.049 18.516 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 7 . 964 . 1 1 7 PRO C C 25.272 35.050 25.500 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 7 . 965 . 1 1 7 PRO CA C 25.874 33.959 24.623 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 7 . 966 . 1 1 7 PRO CB C 26.764 33.067 25.493 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 7 . 967 . 1 1 7 PRO CD C 27.998 33.624 23.587 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 7 . 968 . 1 1 7 PRO CG C 27.750 32.431 24.508 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 7 . 969 . 1 1 7 PRO HA H 25.097 33.430 24.071 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 7 . 970 . 1 1 7 PRO HB2 H 27.356 33.669 26.186 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 7 . 971 . 1 1 7 PRO HB3 H 26.165 32.289 25.967 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 7 . 972 . 1 1 7 PRO HD2 H 28.836 34.192 23.995 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 7 . 973 . 1 1 7 PRO HD3 H 28.280 33.237 22.608 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 7 . 974 . 1 1 7 PRO HG2 H 28.661 32.024 24.946 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 7 . 975 . 1 1 7 PRO HG3 H 27.147 31.707 23.962 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 7 . 976 . 1 1 7 PRO N N 26.781 34.394 23.577 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 7 . 977 . 1 1 7 PRO O O 24.167 34.866 26.007 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 7 . 978 . 1 1 8 GLN C C 24.287 38.218 25.850 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 7 . 979 . 1 1 8 GLN CA C 25.345 37.319 26.456 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 7 . 980 . 1 1 8 GLN CB C 26.558 38.197 26.728 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 7 . 981 . 1 1 8 GLN CD C 27.634 39.798 28.318 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 7 . 982 . 1 1 8 GLN CG C 26.400 38.945 28.051 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 7 . 983 . 1 1 8 GLN H H 26.599 36.436 24.978 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 7 . 984 . 1 1 8 GLN HA H 25.092 36.932 27.447 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 7 . 985 . 1 1 8 GLN HB2 H 27.476 37.617 26.817 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 7 . 986 . 1 1 8 GLN HB3 H 26.673 38.923 25.926 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 7 . 987 . 1 1 8 GLN HE21 H 27.820 40.488 26.395 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 7 . 988 . 1 1 8 GLN HE22 H 28.947 41.143 27.525 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 7 . 989 . 1 1 8 GLN HG2 H 25.538 39.597 27.938 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 7 . 990 . 1 1 8 GLN HG3 H 26.263 38.259 28.893 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 7 . 991 . 1 1 8 GLN N N 25.865 36.239 25.638 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 7 . 992 . 1 1 8 GLN NE2 N 28.178 40.517 27.342 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 7 . 993 . 1 1 8 GLN O O 23.566 38.827 26.652 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 7 . 994 . 1 1 8 GLN OE1 O 28.066 39.990 29.461 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 8 . 995 . 1 1 1 . C C 23.562 40.632 24.201 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 8 . 996 . 1 1 1 . CA C 23.116 39.198 23.982 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 8 . 997 . 1 1 1 . CB C 22.760 38.926 22.522 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 8 . 998 . 1 1 1 . CD C 20.887 39.008 20.764 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 8 . 999 . 1 1 1 . CG C 21.373 39.448 22.141 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 8 . 1000 . 1 1 1 . CZ C 21.669 40.266 18.667 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 8 . 1001 . 1 1 1 . H1 H 24.648 37.693 24.011 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 8 . 1002 . 1 1 1 . HA H 22.178 39.238 24.533 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 8 . 1003 . 1 1 1 . HB2 H 22.855 37.873 22.282 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 8 . 1004 . 1 1 1 . HB3 H 23.445 39.536 21.930 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 8 . 1005 . 1 1 1 . HD2 H 19.872 39.361 20.567 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 8 . 1006 . 1 1 1 . HD3 H 20.827 37.920 20.727 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 8 . 1007 . 1 1 1 . HE H 22.740 39.079 19.759 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 8 . 1008 . 1 1 1 . HG2 H 21.387 40.532 22.068 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 8 . 1009 . 1 1 1 . HG3 H 20.652 39.096 22.875 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 8 . 1010 . 1 1 1 . HH11 H 23.544 39.992 18.035 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 8 . 1011 . 1 1 1 . HH12 H 22.670 40.912 16.909 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 8 . 1012 . 1 1 1 . HH21 H 19.744 40.873 19.049 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 8 . 1013 . 1 1 1 . HH22 H 20.441 41.310 17.483 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 8 . 1014 . 1 1 1 . N N 24.002 38.219 24.564 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 8 . 1015 . 1 1 1 . NE N 21.818 39.492 19.749 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 8 . 1016 . 1 1 1 . NH1 N 22.671 40.421 17.790 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 8 . 1017 . 1 1 1 . NH2 N 20.477 40.800 18.352 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 8 . 1018 . 1 1 1 . O O 22.735 41.523 24.032 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 8 . 1019 . 1 1 2 GLN C C 26.888 42.268 24.548 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 8 . 1020 . 1 1 2 GLN CA C 25.421 42.110 24.934 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 8 . 1021 . 1 1 2 GLN CB C 25.305 42.395 26.427 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 8 . 1022 . 1 1 2 GLN CD C 23.098 43.511 26.505 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 8 . 1023 . 1 1 2 GLN CG C 23.910 42.350 27.056 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 8 . 1024 . 1 1 2 GLN H H 25.462 40.052 24.598 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 8 . 1025 . 1 1 2 GLN HA H 24.871 42.939 24.477 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 8 . 1026 . 1 1 2 GLN HB2 H 25.997 41.734 26.928 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 8 . 1027 . 1 1 2 GLN HB3 H 25.718 43.399 26.565 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 8 . 1028 . 1 1 2 GLN HE21 H 21.312 42.820 27.332 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 8 . 1029 . 1 1 2 GLN HE22 H 21.284 44.349 26.507 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 8 . 1030 . 1 1 2 GLN HG2 H 23.434 41.372 27.007 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 8 . 1031 . 1 1 2 GLN HG3 H 24.044 42.558 28.115 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 8 . 1032 . 1 1 2 GLN N N 24.828 40.830 24.607 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 8 . 1033 . 1 1 2 GLN NE2 N 21.810 43.554 26.850 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 8 . 1034 . 1 1 2 GLN O O 27.532 41.231 24.445 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 8 . 1035 . 1 1 2 GLN OE1 O 23.533 44.454 25.842 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 8 . 1036 . 1 1 3 DPR C C 29.767 42.849 23.448 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 8 . 1037 . 1 1 3 DPR CA C 28.830 43.736 24.248 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 8 . 1038 . 1 1 3 DPR CB C 28.948 45.210 23.872 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 8 . 1039 . 1 1 3 DPR CD C 26.623 44.666 24.173 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 8 . 1040 . 1 1 3 DPR CG C 27.595 45.835 24.238 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 8 . 1041 . 1 1 3 DPR HA H 29.164 43.634 25.284 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 8 . 1042 . 1 1 3 DPR HB2 H 28.993 45.370 22.795 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 8 . 1043 . 1 1 3 DPR HB3 H 29.818 45.673 24.325 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 8 . 1044 . 1 1 3 DPR HD2 H 25.896 44.734 23.358 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 8 . 1045 . 1 1 3 DPR HD3 H 25.888 44.817 24.965 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 8 . 1046 . 1 1 3 DPR HG2 H 27.348 46.616 23.525 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 8 . 1047 . 1 1 3 DPR HG3 H 27.566 46.074 25.298 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 8 . 1048 . 1 1 3 DPR N N 27.407 43.452 24.234 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 8 . 1049 . 1 1 3 DPR O O 30.916 42.677 23.860 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 8 . 1050 . 1 1 4 . C C 30.514 40.203 22.022 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 8 . 1051 . 1 1 4 . CA C 30.171 41.559 21.441 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 8 . 1052 . 1 1 4 . CB C 29.579 41.485 20.037 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 8 . 1053 . 1 1 4 . CD C 28.907 44.000 19.845 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 8 . 1054 . 1 1 4 . CG C 29.617 42.784 19.244 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 8 . 1055 . 1 1 4 . H H 28.345 42.568 22.107 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 8 . 1056 . 1 1 4 . HA H 31.112 42.092 21.360 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 8 . 1057 . 1 1 4 . HB2 H 28.546 41.150 20.111 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 8 . 1058 . 1 1 4 . HB3 H 30.173 40.817 19.416 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 8 . 1059 . 1 1 4 . HE21 H 27.011 43.104 20.030 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 8 . 1060 . 1 1 4 . HE22 H 27.204 44.835 20.258 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 8 . 1061 . 1 1 4 . HG2 H 29.082 42.589 18.301 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 8 . 1062 . 1 1 4 . HG3 H 30.648 43.084 19.063 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 8 . 1063 . 1 1 4 . N N 29.319 42.370 22.292 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 8 . 1064 . 1 1 4 . NE2 N 27.613 43.906 20.158 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 8 . 1065 . 1 1 4 . O O 31.687 39.823 21.936 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 8 . 1066 . 1 1 4 . OE1 O 29.535 45.039 20.006 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 8 . 1067 . 1 1 5 ARG C C 28.273 37.543 23.011 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 8 . 1068 . 1 1 5 ARG CA C 29.549 38.335 23.290 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 8 . 1069 . 1 1 5 ARG CB C 29.907 38.404 24.766 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 8 . 1070 . 1 1 5 ARG CD C 31.932 38.524 26.272 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 8 . 1071 . 1 1 5 ARG CG C 31.361 38.843 24.894 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 8 . 1072 . 1 1 5 ARG CZ C 34.257 39.345 25.876 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 8 . 1073 . 1 1 5 ARG H H 28.577 40.094 22.619 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 8 . 1074 . 1 1 5 ARG HA H 30.330 37.784 22.773 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 8 . 1075 . 1 1 5 ARG HB2 H 29.198 39.100 25.208 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 8 . 1076 . 1 1 5 ARG HB3 H 29.766 37.408 25.173 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 8 . 1077 . 1 1 5 ARG HD2 H 31.258 38.839 27.067 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 8 . 1078 . 1 1 5 ARG HD3 H 32.098 37.439 26.288 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 8 . 1079 . 1 1 5 ARG HE H 33.189 39.778 27.478 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 8 . 1080 . 1 1 5 ARG HG2 H 31.901 38.221 24.182 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 8 . 1081 . 1 1 5 ARG HG3 H 31.476 39.899 24.645 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 8 . 1082 . 1 1 5 ARG HH11 H 34.891 40.846 27.144 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 8 . 1083 . 1 1 5 ARG HH12 H 36.009 40.411 25.933 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 8 . 1084 . 1 1 5 ARG HH21 H 33.919 37.902 24.576 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 8 . 1085 . 1 1 5 ARG HH22 H 35.096 39.078 23.986 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 8 . 1086 . 1 1 5 ARG N N 29.483 39.649 22.676 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 8 . 1087 . 1 1 5 ARG NE N 33.161 39.225 26.628 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 8 . 1088 . 1 1 5 ARG NH1 N 35.146 40.204 26.406 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 8 . 1089 . 1 1 5 ARG NH2 N 34.457 38.747 24.696 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 8 . 1090 . 1 1 5 ARG O O 27.224 37.772 23.606 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 8 . 1091 . 1 1 6 . C C 26.378 35.055 22.662 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 8 . 1092 . 1 1 6 . CA C 27.286 35.684 21.610 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 8 . 1093 . 1 1 6 . CB C 26.507 36.328 20.469 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 8 . 1094 . 1 1 6 . CD C 25.133 38.337 19.548 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 8 . 1095 . 1 1 6 . CG C 26.180 37.813 20.524 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 8 . 1096 . 1 1 6 . H H 29.238 36.423 21.667 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 8 . 1097 . 1 1 6 . HA H 27.753 34.827 21.119 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 8 . 1098 . 1 1 6 . HB2 H 25.555 35.828 20.293 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 8 . 1099 . 1 1 6 . HB3 H 27.120 36.107 19.592 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 8 . 1100 . 1 1 6 . HG2 H 27.087 38.379 20.305 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 8 . 1101 . 1 1 6 . HG3 H 25.818 37.995 21.539 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 8 . 1102 . 1 1 6 . N N 28.327 36.584 22.080 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 8 . 1103 . 1 1 6 . O O 25.165 35.181 22.542 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 8 . 1104 . 1 1 6 . OE1 O 25.175 39.484 19.040 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 8 . 1105 . 1 1 6 . OE2 O 24.142 37.603 19.337 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 8 . 1106 . 1 1 7 PRO C C 25.287 34.818 25.597 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 8 . 1107 . 1 1 7 PRO CA C 26.106 33.837 24.781 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 8 . 1108 . 1 1 7 PRO CB C 27.118 33.180 25.721 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 8 . 1109 . 1 1 7 PRO CD C 28.170 33.652 23.669 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 8 . 1110 . 1 1 7 PRO CG C 28.114 32.568 24.741 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 8 . 1111 . 1 1 7 PRO HA H 25.439 33.076 24.375 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 8 . 1112 . 1 1 7 PRO HB2 H 27.573 33.866 26.435 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 8 . 1113 . 1 1 7 PRO HB3 H 26.667 32.392 26.326 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 8 . 1114 . 1 1 7 PRO HD2 H 28.937 34.384 23.899 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 8 . 1115 . 1 1 7 PRO HD3 H 28.369 33.205 22.692 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 8 . 1116 . 1 1 7 PRO HG2 H 29.122 32.449 25.141 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 8 . 1117 . 1 1 7 PRO HG3 H 27.763 31.632 24.306 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 8 . 1118 . 1 1 7 PRO N N 26.882 34.319 23.651 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 8 . 1119 . 1 1 7 PRO O O 24.260 34.479 26.182 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 8 . 1120 . 1 1 8 GLN C C 24.101 38.059 25.890 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 8 . 1121 . 1 1 8 GLN CA C 25.191 37.150 26.433 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 8 . 1122 . 1 1 8 GLN CB C 26.434 37.994 26.706 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 8 . 1123 . 1 1 8 GLN CD C 27.637 39.500 28.302 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 8 . 1124 . 1 1 8 GLN CG C 26.288 38.968 27.869 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 8 . 1125 . 1 1 8 GLN H H 26.525 36.361 25.065 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 8 . 1126 . 1 1 8 GLN HA H 24.994 36.709 27.408 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 8 . 1127 . 1 1 8 GLN HB2 H 27.292 37.328 26.744 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 8 . 1128 . 1 1 8 GLN HB3 H 26.618 38.641 25.857 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 8 . 1129 . 1 1 8 GLN HE21 H 27.996 40.385 26.542 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 8 . 1130 . 1 1 8 GLN HE22 H 29.197 40.676 27.859 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 8 . 1131 . 1 1 8 GLN HG2 H 25.627 39.806 27.622 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 8 . 1132 . 1 1 8 GLN HG3 H 25.819 38.411 28.687 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 8 . 1133 . 1 1 8 GLN N N 25.723 36.079 25.606 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 8 . 1134 . 1 1 8 GLN NE2 N 28.334 40.294 27.492 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 8 . 1135 . 1 1 8 GLN O O 23.382 38.702 26.643 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 8 . 1136 . 1 1 8 GLN OE1 O 28.091 39.232 29.424 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 9 . 1137 . 1 1 1 . C C 23.588 40.493 23.969 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 9 . 1138 . 1 1 1 . CA C 23.058 39.058 23.932 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 9 . 1139 . 1 1 1 . CB C 22.739 38.501 22.556 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 9 . 1140 . 1 1 1 . CD C 21.250 38.269 20.533 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 9 . 1141 . 1 1 1 . CG C 21.402 38.881 21.916 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 9 . 1142 . 1 1 1 . CZ C 21.960 40.018 18.889 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 9 . 1143 . 1 1 1 . H1 H 24.403 37.377 24.128 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 9 . 1144 . 1 1 1 . HA H 22.138 39.091 24.518 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 9 . 1145 . 1 1 1 . HB2 H 22.928 37.422 22.529 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 9 . 1146 . 1 1 1 . HB3 H 23.507 38.940 21.920 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 9 . 1147 . 1 1 1 . HD2 H 20.241 38.402 20.114 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 9 . 1148 . 1 1 1 . HD3 H 21.498 37.213 20.613 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 9 . 1149 . 1 1 1 . HE H 23.069 38.474 19.527 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 9 . 1150 . 1 1 1 . HG2 H 21.364 39.969 21.802 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 9 . 1151 . 1 1 1 . HG3 H 20.629 38.520 22.590 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 9 . 1152 . 1 1 1 . HH11 H 23.874 40.068 18.301 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 9 . 1153 . 1 1 1 . HH12 H 22.879 41.235 17.501 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 9 . 1154 . 1 1 1 . HH21 H 19.907 40.167 19.231 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 9 . 1155 . 1 1 1 . HH22 H 20.681 41.308 18.131 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 9 . 1156 . 1 1 1 . N N 23.912 38.117 24.620 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 9 . 1157 . 1 1 1 . NE N 22.128 38.857 19.531 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 9 . 1158 . 1 1 1 . NH1 N 22.998 40.551 18.232 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 9 . 1159 . 1 1 1 . NH2 N 20.738 40.584 18.838 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 9 . 1160 . 1 1 1 . O O 22.828 41.347 23.510 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 9 . 1161 . 1 1 2 GLN C C 26.815 42.040 24.562 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 9 . 1162 . 1 1 2 GLN CA C 25.311 42.041 24.799 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 9 . 1163 . 1 1 2 GLN CB C 25.171 42.456 26.264 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 9 . 1164 . 1 1 2 GLN CD C 23.066 43.723 25.752 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 9 . 1165 . 1 1 2 GLN CG C 23.745 42.764 26.712 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 9 . 1166 . 1 1 2 GLN H H 25.445 39.969 24.634 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 9 . 1167 . 1 1 2 GLN HA H 24.777 42.757 24.178 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 9 . 1168 . 1 1 2 GLN HB2 H 25.714 41.729 26.852 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 9 . 1169 . 1 1 2 GLN HB3 H 25.748 43.373 26.422 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 9 . 1170 . 1 1 2 GLN HE21 H 21.752 42.250 25.375 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 9 . 1171 . 1 1 2 GLN HE22 H 21.430 43.796 24.584 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 9 . 1172 . 1 1 2 GLN HG2 H 23.207 41.826 26.793 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 9 . 1173 . 1 1 2 GLN HG3 H 23.773 43.169 27.734 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 9 . 1174 . 1 1 2 GLN N N 24.807 40.729 24.449 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 9 . 1175 . 1 1 2 GLN NE2 N 21.905 43.253 25.291 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 9 . 1176 . 1 1 2 GLN O O 27.495 41.105 24.973 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 9 . 1177 . 1 1 2 GLN OE1 O 23.522 44.797 25.364 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 9 . 1178 . 1 1 3 DPR C C 29.667 42.614 23.416 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 9 . 1179 . 1 1 3 DPR CA C 28.800 43.460 24.335 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 9 . 1180 . 1 1 3 DPR CB C 29.034 44.960 24.131 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 9 . 1181 . 1 1 3 DPR CD C 26.761 44.402 23.680 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 9 . 1182 . 1 1 3 DPR CG C 27.773 45.531 23.502 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 9 . 1183 . 1 1 3 DPR HA H 29.163 43.262 25.350 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 9 . 1184 . 1 1 3 DPR HB2 H 29.979 45.110 23.612 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 9 . 1185 . 1 1 3 DPR HB3 H 29.087 45.558 25.033 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 9 . 1186 . 1 1 3 DPR HD2 H 26.302 44.203 22.722 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 9 . 1187 . 1 1 3 DPR HD3 H 25.997 44.751 24.375 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 9 . 1188 . 1 1 3 DPR HG2 H 27.883 45.676 22.435 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 9 . 1189 . 1 1 3 DPR HG3 H 27.424 46.438 24.001 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 9 . 1190 . 1 1 3 DPR N N 27.379 43.204 24.224 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 9 . 1191 . 1 1 3 DPR O O 30.882 42.486 23.588 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 9 . 1192 . 1 1 4 . C C 30.004 39.802 21.633 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 9 . 1193 . 1 1 4 . CA C 29.825 41.293 21.378 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 9 . 1194 . 1 1 4 . CB C 29.263 41.593 19.983 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 9 . 1195 . 1 1 4 . CD C 29.386 44.132 20.058 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 9 . 1196 . 1 1 4 . CG C 29.823 42.863 19.341 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 9 . 1197 . 1 1 4 . H H 28.130 42.260 22.205 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 9 . 1198 . 1 1 4 . HA H 30.831 41.669 21.202 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 9 . 1199 . 1 1 4 . HB2 H 28.193 41.700 20.106 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 9 . 1200 . 1 1 4 . HB3 H 29.424 40.782 19.277 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 9 . 1201 . 1 1 4 . HE21 H 27.397 43.861 19.676 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 9 . 1202 . 1 1 4 . HE22 H 27.849 45.429 20.147 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 9 . 1203 . 1 1 4 . HG2 H 29.316 42.893 18.371 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 9 . 1204 . 1 1 4 . HG3 H 30.890 42.874 19.160 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 9 . 1205 . 1 1 4 . N N 29.071 41.963 22.413 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 9 . 1206 . 1 1 4 . NE2 N 28.094 44.455 20.100 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 9 . 1207 . 1 1 4 . O O 30.159 38.999 20.712 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 9 . 1208 . 1 1 4 . OE1 O 30.166 44.894 20.638 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 9 . 1209 . 1 1 5 ARG C C 28.669 37.481 23.237 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 9 . 1210 . 1 1 5 ARG CA C 30.042 38.105 23.462 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 9 . 1211 . 1 1 5 ARG CB C 30.443 38.132 24.930 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 9 . 1212 . 1 1 5 ARG CD C 32.472 37.941 26.390 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 9 . 1213 . 1 1 5 ARG CG C 31.931 38.460 25.060 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 9 . 1214 . 1 1 5 ARG CZ C 31.932 39.210 28.422 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 9 . 1215 . 1 1 5 ARG H H 29.748 40.236 23.487 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 9 . 1216 . 1 1 5 ARG HA H 30.767 37.544 22.871 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 9 . 1217 . 1 1 5 ARG HB2 H 29.869 38.984 25.291 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 9 . 1218 . 1 1 5 ARG HB3 H 30.069 37.243 25.432 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 9 . 1219 . 1 1 5 ARG HD2 H 32.406 36.854 26.395 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 9 . 1220 . 1 1 5 ARG HD3 H 33.470 38.346 26.534 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 9 . 1221 . 1 1 5 ARG HE H 31.045 37.488 27.860 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 9 . 1222 . 1 1 5 ARG HG2 H 32.580 37.982 24.329 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 9 . 1223 . 1 1 5 ARG HG3 H 32.109 39.535 25.060 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 9 . 1224 . 1 1 5 ARG HH11 H 30.572 38.471 29.706 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 9 . 1225 . 1 1 5 ARG HH12 H 31.815 39.499 30.384 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 9 . 1226 . 1 1 5 ARG HH21 H 33.178 40.444 27.314 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 9 . 1227 . 1 1 5 ARG HH22 H 32.975 40.919 28.925 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 9 . 1228 . 1 1 5 ARG N N 29.983 39.444 22.917 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 9 . 1229 . 1 1 5 ARG NE N 31.621 38.258 27.531 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 9 . 1230 . 1 1 5 ARG NH1 N 31.285 39.173 29.594 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 9 . 1231 . 1 1 5 ARG NH2 N 32.797 40.216 28.214 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 9 . 1232 . 1 1 5 ARG O O 27.791 37.566 24.098 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 9 . 1233 . 1 1 6 . C C 26.385 35.596 22.698 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 9 . 1234 . 1 1 6 . CA C 27.296 36.201 21.635 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 9 . 1235 . 1 1 6 . CB C 26.577 37.011 20.560 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 9 . 1236 . 1 1 6 . CD C 25.672 39.105 19.583 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 9 . 1237 . 1 1 6 . CG C 26.328 38.496 20.817 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 9 . 1238 . 1 1 6 . H H 29.264 36.924 21.430 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 9 . 1239 . 1 1 6 . HA H 27.583 35.306 21.089 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 9 . 1240 . 1 1 6 . HB2 H 25.638 36.476 20.378 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 9 . 1241 . 1 1 6 . HB3 H 27.157 36.936 19.648 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 9 . 1242 . 1 1 6 . HG2 H 27.292 38.964 21.018 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 9 . 1243 . 1 1 6 . HG3 H 25.677 38.588 21.684 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 9 . 1244 . 1 1 6 . N N 28.534 36.782 22.113 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 9 . 1245 . 1 1 6 . O O 25.257 36.069 22.784 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 9 . 1246 . 1 1 6 . OE1 O 26.033 40.189 19.104 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 9 . 1247 . 1 1 6 . OE2 O 24.717 38.482 19.069 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 9 . 1248 . 1 1 7 PRO C C 25.357 35.098 25.547 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 9 . 1249 . 1 1 7 PRO CA C 26.111 34.123 24.663 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 9 . 1250 . 1 1 7 PRO CB C 27.111 33.355 25.522 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 9 . 1251 . 1 1 7 PRO CD C 28.189 34.119 23.512 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 9 . 1252 . 1 1 7 PRO CG C 28.137 32.940 24.478 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 9 . 1253 . 1 1 7 PRO HA H 25.385 33.395 24.295 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 9 . 1254 . 1 1 7 PRO HB2 H 27.617 34.088 26.161 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 9 . 1255 . 1 1 7 PRO HB3 H 26.812 32.457 26.069 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 9 . 1256 . 1 1 7 PRO HD2 H 28.997 34.769 23.813 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 9 . 1257 . 1 1 7 PRO HD3 H 28.243 33.827 22.463 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 9 . 1258 . 1 1 7 PRO HG2 H 29.123 32.727 24.897 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 9 . 1259 . 1 1 7 PRO HG3 H 27.815 32.075 23.904 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 9 . 1260 . 1 1 7 PRO N N 26.874 34.737 23.595 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 9 . 1261 . 1 1 7 PRO O O 24.323 34.766 26.130 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 9 . 1262 . 1 1 8 GLN C C 24.143 38.215 25.930 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 9 . 1263 . 1 1 8 GLN CA C 25.228 37.328 26.517 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 9 . 1264 . 1 1 8 GLN CB C 26.418 38.137 27.034 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 9 . 1265 . 1 1 8 GLN CD C 27.468 39.601 28.767 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 9 . 1266 . 1 1 8 GLN CG C 26.174 38.938 28.308 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 9 . 1267 . 1 1 8 GLN H H 26.416 36.734 24.906 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 9 . 1268 . 1 1 8 GLN HA H 24.804 36.845 27.401 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 9 . 1269 . 1 1 8 GLN HB2 H 27.340 37.558 27.087 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 9 . 1270 . 1 1 8 GLN HB3 H 26.546 38.930 26.298 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 9 . 1271 . 1 1 8 GLN HE21 H 27.636 40.642 27.017 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 9 . 1272 . 1 1 8 GLN HE22 H 28.849 40.968 28.268 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 9 . 1273 . 1 1 8 GLN HG2 H 25.340 39.625 28.217 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 9 . 1274 . 1 1 8 GLN HG3 H 25.986 38.223 29.106 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 9 . 1275 . 1 1 8 GLN N N 25.803 36.353 25.615 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 9 . 1276 . 1 1 8 GLN NE2 N 28.039 40.473 27.928 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 9 . 1277 . 1 1 8 GLN O O 23.447 38.922 26.649 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 9 . 1278 . 1 1 8 GLN OE1 O 27.986 39.381 29.858 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 10 . 1279 . 1 1 1 . C C 23.698 40.445 23.887 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 10 . 1280 . 1 1 1 . CA C 23.243 39.001 23.760 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 10 . 1281 . 1 1 1 . CB C 23.118 38.444 22.345 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 10 . 1282 . 1 1 1 . CD C 22.011 38.498 20.035 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 10 . 1283 . 1 1 1 . CG C 22.280 39.241 21.346 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 10 . 1284 . 1 1 1 . CZ C 22.966 38.206 17.759 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 10 . 1285 . 1 1 1 . H1 H 24.401 37.256 24.071 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 10 . 1286 . 1 1 1 . HA H 22.223 39.159 24.112 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 10 . 1287 . 1 1 1 . HB2 H 22.678 37.448 22.321 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 10 . 1288 . 1 1 1 . HB3 H 24.086 38.353 21.852 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 10 . 1289 . 1 1 1 . HD2 H 21.040 38.847 19.704 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 10 . 1290 . 1 1 1 . HD3 H 21.839 37.434 20.224 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 10 . 1291 . 1 1 1 . HE H 23.816 39.256 19.287 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 10 . 1292 . 1 1 1 . HG2 H 22.744 40.183 21.039 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 10 . 1293 . 1 1 1 . HG3 H 21.292 39.321 21.790 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 10 . 1294 . 1 1 1 . HH11 H 24.850 38.838 17.362 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 10 . 1295 . 1 1 1 . HH12 H 23.993 37.927 16.086 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 10 . 1296 . 1 1 1 . HH21 H 21.125 37.303 17.619 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 10 . 1297 . 1 1 1 . HH22 H 21.967 37.339 16.154 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 10 . 1298 . 1 1 1 . N N 23.977 38.041 24.551 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 10 . 1299 . 1 1 1 . NE N 23.050 38.671 19.019 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 10 . 1300 . 1 1 1 . NH1 N 24.019 38.422 16.956 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 10 . 1301 . 1 1 1 . NH2 N 21.981 37.538 17.149 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 10 . 1302 . 1 1 1 . O O 22.882 41.291 23.530 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 10 . 1303 . 1 1 2 GLN C C 26.835 42.154 24.716 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 10 . 1304 . 1 1 2 GLN CA C 25.311 42.072 24.808 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 10 . 1305 . 1 1 2 GLN CB C 24.864 42.458 26.217 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 10 . 1306 . 1 1 2 GLN CD C 22.681 43.695 25.599 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 10 . 1307 . 1 1 2 GLN CG C 23.341 42.551 26.353 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 10 . 1308 . 1 1 2 GLN H H 25.398 39.980 24.897 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 10 . 1309 . 1 1 2 GLN HA H 24.833 42.682 24.048 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 10 . 1310 . 1 1 2 GLN HB2 H 25.158 41.674 26.912 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 10 . 1311 . 1 1 2 GLN HB3 H 25.264 43.438 26.454 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 10 . 1312 . 1 1 2 GLN HE21 H 20.852 43.031 25.943 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 10 . 1313 . 1 1 2 GLN HE22 H 20.949 44.622 25.091 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 10 . 1314 . 1 1 2 GLN HG2 H 22.897 41.593 26.117 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 10 . 1315 . 1 1 2 GLN HG3 H 23.151 42.673 27.423 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 10 . 1316 . 1 1 2 GLN N N 24.833 40.736 24.535 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 10 . 1317 . 1 1 2 GLN NE2 N 21.352 43.829 25.582 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 10 . 1318 . 1 1 2 GLN O O 27.492 41.188 25.096 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 10 . 1319 . 1 1 2 GLN OE1 O 23.324 44.630 25.125 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 10 . 1320 . 1 1 3 DPR C C 29.685 42.669 23.512 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 10 . 1321 . 1 1 3 DPR CA C 28.866 43.466 24.520 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 10 . 1322 . 1 1 3 DPR CB C 29.138 44.960 24.403 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 10 . 1323 . 1 1 3 DPR CD C 26.773 44.600 24.231 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 10 . 1324 . 1 1 3 DPR CG C 27.797 45.611 24.735 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 10 . 1325 . 1 1 3 DPR HA H 29.196 43.089 25.488 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 10 . 1326 . 1 1 3 DPR HB2 H 29.452 45.112 23.366 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 10 . 1327 . 1 1 3 DPR HB3 H 29.853 45.222 25.184 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 10 . 1328 . 1 1 3 DPR HD2 H 26.585 44.645 23.158 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 10 . 1329 . 1 1 3 DPR HD3 H 25.887 44.583 24.856 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 10 . 1330 . 1 1 3 DPR HG2 H 27.710 46.598 24.288 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 10 . 1331 . 1 1 3 DPR HG3 H 27.621 45.661 25.806 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 10 . 1332 . 1 1 3 DPR N N 27.424 43.319 24.442 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 10 . 1333 . 1 1 3 DPR O O 30.862 42.498 23.832 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 10 . 1334 . 1 1 4 . C C 30.045 40.062 21.467 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 10 . 1335 . 1 1 4 . CA C 29.862 41.573 21.352 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 10 . 1336 . 1 1 4 . CB C 29.333 41.910 19.964 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 10 . 1337 . 1 1 4 . CD C 28.653 44.329 20.273 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 10 . 1338 . 1 1 4 . CG C 29.440 43.332 19.428 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 10 . 1339 . 1 1 4 . H H 28.120 42.364 22.239 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 10 . 1340 . 1 1 4 . HA H 30.885 41.964 21.338 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 10 . 1341 . 1 1 4 . HB2 H 28.327 41.506 19.813 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 10 . 1342 . 1 1 4 . HB3 H 29.936 41.390 19.214 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 10 . 1343 . 1 1 4 . HE21 H 26.922 43.675 19.625 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 10 . 1344 . 1 1 4 . HE22 H 26.778 45.230 20.398 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 10 . 1345 . 1 1 4 . HG2 H 29.021 43.384 18.424 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 10 . 1346 . 1 1 4 . HG3 H 30.437 43.733 19.251 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 10 . 1347 . 1 1 4 . N N 29.106 42.238 22.396 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 10 . 1348 . 1 1 4 . NE2 N 27.358 44.509 19.984 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 10 . 1349 . 1 1 4 . O O 30.535 39.366 20.588 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 10 . 1350 . 1 1 4 . OE1 O 29.256 45.075 21.041 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 10 . 1351 . 1 1 5 ARG C C 28.716 37.383 23.208 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 10 . 1352 . 1 1 5 ARG CA C 30.005 38.185 23.114 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 10 . 1353 . 1 1 5 ARG CB C 30.782 38.362 24.416 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 10 . 1354 . 1 1 5 ARG CD C 33.171 38.255 23.325 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 10 . 1355 . 1 1 5 ARG CG C 32.192 38.934 24.280 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 10 . 1356 . 1 1 5 ARG CZ C 35.633 38.246 22.975 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 10 . 1357 . 1 1 5 ARG H H 29.345 40.114 23.375 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 10 . 1358 . 1 1 5 ARG HA H 30.621 37.665 22.369 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 10 . 1359 . 1 1 5 ARG HB2 H 30.223 39.081 25.008 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 10 . 1360 . 1 1 5 ARG HB3 H 30.759 37.407 24.939 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 10 . 1361 . 1 1 5 ARG HD2 H 33.329 37.199 23.573 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 10 . 1362 . 1 1 5 ARG HD3 H 32.827 38.358 22.299 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 10 . 1363 . 1 1 5 ARG HE H 34.499 39.792 23.722 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 10 . 1364 . 1 1 5 ARG HG2 H 32.127 40.000 24.072 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 10 . 1365 . 1 1 5 ARG HG3 H 32.617 38.685 25.254 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 10 . 1366 . 1 1 5 ARG HH11 H 36.810 39.841 23.481 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 10 . 1367 . 1 1 5 ARG HH12 H 37.636 38.320 23.061 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 10 . 1368 . 1 1 5 ARG HH21 H 34.822 36.520 22.218 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 10 . 1369 . 1 1 5 ARG HH22 H 36.558 36.525 22.462 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 10 . 1370 . 1 1 5 ARG N N 29.769 39.535 22.658 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 10 . 1371 . 1 1 5 ARG NE N 34.497 38.871 23.301 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 10 . 1372 . 1 1 5 ARG NH1 N 36.794 38.878 23.180 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 10 . 1373 . 1 1 5 ARG NH2 N 35.671 37.018 22.444 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 10 . 1374 . 1 1 5 ARG O O 27.858 37.641 24.051 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 10 . 1375 . 1 1 6 . C C 26.354 35.456 22.875 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 10 . 1376 . 1 1 6 . CA C 27.261 35.946 21.757 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 10 . 1377 . 1 1 6 . CB C 26.531 36.850 20.765 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 10 . 1378 . 1 1 6 . CD C 26.165 39.151 19.786 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 10 . 1379 . 1 1 6 . CG C 26.794 38.340 20.906 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 10 . 1380 . 1 1 6 . H H 29.373 36.451 21.680 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 10 . 1381 . 1 1 6 . HA H 27.469 35.042 21.193 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 10 . 1382 . 1 1 6 . HB2 H 25.465 36.672 20.673 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 10 . 1383 . 1 1 6 . HB3 H 26.939 36.677 19.768 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 10 . 1384 . 1 1 6 . HG2 H 27.832 38.695 20.923 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 10 . 1385 . 1 1 6 . HG3 H 26.475 38.807 21.833 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 10 . 1386 . 1 1 6 . N N 28.519 36.521 22.208 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 10 . 1387 . 1 1 6 . O O 25.198 35.850 22.955 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 10 . 1388 . 1 1 6 . OE1 O 26.409 38.940 18.577 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 10 . 1389 . 1 1 6 . OE2 O 25.231 39.906 20.138 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 10 . 1390 . 1 1 7 PRO C C 25.277 35.031 25.718 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 10 . 1391 . 1 1 7 PRO CA C 26.021 34.030 24.847 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 10 . 1392 . 1 1 7 PRO CB C 26.949 33.252 25.778 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 10 . 1393 . 1 1 7 PRO CD C 28.139 33.982 23.764 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 10 . 1394 . 1 1 7 PRO CG C 28.045 32.857 24.794 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 10 . 1395 . 1 1 7 PRO HA H 25.292 33.354 24.402 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 10 . 1396 . 1 1 7 PRO HB2 H 27.244 33.897 26.605 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 10 . 1397 . 1 1 7 PRO HB3 H 26.520 32.345 26.220 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 10 . 1398 . 1 1 7 PRO HD2 H 28.953 34.676 23.976 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 10 . 1399 . 1 1 7 PRO HD3 H 28.292 33.606 22.761 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 10 . 1400 . 1 1 7 PRO HG2 H 28.976 32.612 25.294 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 10 . 1401 . 1 1 7 PRO HG3 H 27.642 31.926 24.401 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 10 . 1402 . 1 1 7 PRO N N 26.817 34.587 23.779 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 10 . 1403 . 1 1 7 PRO O O 24.318 34.636 26.368 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 10 . 1404 . 1 1 8 GLN C C 24.006 38.159 25.879 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 10 . 1405 . 1 1 8 GLN CA C 25.101 37.337 26.562 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 10 . 1406 . 1 1 8 GLN CB C 26.214 38.325 26.890 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 10 . 1407 . 1 1 8 GLN CD C 28.379 38.819 28.183 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 10 . 1408 . 1 1 8 GLN CG C 27.378 37.782 27.708 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 10 . 1409 . 1 1 8 GLN H H 26.514 36.559 25.212 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 10 . 1410 . 1 1 8 GLN HA H 24.775 36.870 27.488 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 10 . 1411 . 1 1 8 GLN HB2 H 26.641 38.718 25.962 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 10 . 1412 . 1 1 8 GLN HB3 H 25.779 39.079 27.546 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 10 . 1413 . 1 1 8 GLN HE21 H 28.326 40.002 26.509 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 10 . 1414 . 1 1 8 GLN HE22 H 29.450 40.513 27.636 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 10 . 1415 . 1 1 8 GLN HG2 H 26.945 37.231 28.554 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 10 . 1416 . 1 1 8 GLN HG3 H 27.920 37.056 27.100 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 10 . 1417 . 1 1 8 GLN N N 25.693 36.303 25.740 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 10 . 1418 . 1 1 8 GLN NE2 N 28.705 39.874 27.438 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 10 . 1419 . 1 1 8 GLN O O 23.389 39.017 26.501 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 10 . 1420 . 1 1 8 GLN OE1 O 28.934 38.697 29.269 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 11 . 1421 . 1 1 1 . C C 23.897 40.544 24.109 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 11 . 1422 . 1 1 1 . CA C 23.318 39.131 24.052 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 11 . 1423 . 1 1 1 . CB C 23.136 38.629 22.629 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 11 . 1424 . 1 1 1 . CD C 21.697 38.895 20.614 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 11 . 1425 . 1 1 1 . CG C 22.070 39.504 21.964 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 11 . 1426 . 1 1 1 . CZ C 22.589 38.719 18.237 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 11 . 1427 . 1 1 1 . H1 H 24.792 37.594 24.212 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 11 . 1428 . 1 1 1 . HA H 22.337 39.182 24.519 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 11 . 1429 . 1 1 1 . HB2 H 22.757 37.606 22.600 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 11 . 1430 . 1 1 1 . HB3 H 24.071 38.768 22.082 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 11 . 1431 . 1 1 1 . HD2 H 20.793 39.385 20.243 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 11 . 1432 . 1 1 1 . HD3 H 21.447 37.841 20.750 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 11 . 1433 . 1 1 1 . HE H 23.642 39.175 19.800 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 11 . 1434 . 1 1 1 . HG2 H 22.463 40.457 21.629 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 11 . 1435 . 1 1 1 . HG3 H 21.143 39.635 22.525 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 11 . 1436 . 1 1 1 . HH11 H 24.561 38.991 17.859 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 11 . 1437 . 1 1 1 . HH12 H 23.536 38.549 16.474 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 11 . 1438 . 1 1 1 . HH21 H 20.556 38.385 18.319 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 11 . 1439 . 1 1 1 . HH22 H 21.278 38.322 16.741 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 11 . 1440 . 1 1 1 . N N 24.070 38.091 24.722 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 11 . 1441 . 1 1 1 . NE N 22.677 39.026 19.542 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 11 . 1442 . 1 1 1 . NH1 N 23.682 38.709 17.462 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 11 . 1443 . 1 1 1 . NH2 N 21.391 38.370 17.751 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 11 . 1444 . 1 1 1 . O O 23.169 41.503 23.904 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 11 . 1445 . 1 1 2 GLN C C 27.060 42.194 24.409 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 11 . 1446 . 1 1 2 GLN CA C 25.648 41.970 24.939 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 11 . 1447 . 1 1 2 GLN CB C 25.750 42.158 26.454 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 11 . 1448 . 1 1 2 GLN CD C 23.481 43.074 27.101 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 11 . 1449 . 1 1 2 GLN CG C 24.477 41.943 27.267 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 11 . 1450 . 1 1 2 GLN H H 25.721 39.850 24.654 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 11 . 1451 . 1 1 2 GLN HA H 24.956 42.686 24.506 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 11 . 1452 . 1 1 2 GLN HB2 H 26.469 41.505 26.961 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 11 . 1453 . 1 1 2 GLN HB3 H 26.186 43.135 26.633 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 11 . 1454 . 1 1 2 GLN HE21 H 22.559 42.751 28.859 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 11 . 1455 . 1 1 2 GLN HE22 H 21.944 44.112 27.885 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 11 . 1456 . 1 1 2 GLN HG2 H 24.004 40.994 27.019 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 11 . 1457 . 1 1 2 GLN HG3 H 24.808 41.868 28.305 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 11 . 1458 . 1 1 2 GLN N N 25.174 40.687 24.478 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 11 . 1459 . 1 1 2 GLN NE2 N 22.584 43.351 28.053 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 11 . 1460 . 1 1 2 GLN O O 27.835 41.238 24.421 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 11 . 1461 . 1 1 2 GLN OE1 O 23.434 43.841 26.144 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 11 . 1462 . 1 1 3 DPR C C 29.694 43.197 23.072 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 11 . 1463 . 1 1 3 DPR CA C 28.768 43.959 24.006 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 11 . 1464 . 1 1 3 DPR CB C 28.722 45.409 23.525 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 11 . 1465 . 1 1 3 DPR CD C 26.554 44.617 24.225 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 11 . 1466 . 1 1 3 DPR CG C 27.471 45.841 24.291 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 11 . 1467 . 1 1 3 DPR HA H 29.351 44.012 24.917 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 11 . 1468 . 1 1 3 DPR HB2 H 28.447 45.542 22.480 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 11 . 1469 . 1 1 3 DPR HB3 H 29.621 45.964 23.781 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 11 . 1470 . 1 1 3 DPR HD2 H 25.902 44.604 23.356 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 11 . 1471 . 1 1 3 DPR HD3 H 25.863 44.581 25.067 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 11 . 1472 . 1 1 3 DPR HG2 H 26.920 46.662 23.833 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 11 . 1473 . 1 1 3 DPR HG3 H 27.708 46.072 25.321 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 11 . 1474 . 1 1 3 DPR N N 27.422 43.453 24.158 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 11 . 1475 . 1 1 3 DPR O O 30.899 43.395 23.203 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 11 . 1476 . 1 1 4 . C C 30.195 40.131 21.716 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 11 . 1477 . 1 1 4 . CA C 30.004 41.568 21.238 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 11 . 1478 . 1 1 4 . CB C 29.612 41.573 19.767 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 11 . 1479 . 1 1 4 . CD C 28.847 43.980 19.580 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 11 . 1480 . 1 1 4 . CG C 29.872 42.949 19.147 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 11 . 1481 . 1 1 4 . H H 28.209 42.336 22.036 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 11 . 1482 . 1 1 4 . HA H 31.002 41.989 21.235 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 11 . 1483 . 1 1 4 . HB2 H 28.535 41.367 19.766 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 11 . 1484 . 1 1 4 . HB3 H 30.136 40.799 19.216 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 11 . 1485 . 1 1 4 . HE21 H 27.203 43.028 18.769 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 11 . 1486 . 1 1 4 . HE22 H 26.934 44.572 19.567 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 11 . 1487 . 1 1 4 . HG2 H 29.881 42.829 18.067 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 11 . 1488 . 1 1 4 . HG3 H 30.869 43.240 19.487 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 11 . 1489 . 1 1 4 . N N 29.211 42.453 22.068 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 11 . 1490 . 1 1 4 . NE2 N 27.558 43.831 19.281 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 11 . 1491 . 1 1 4 . O O 30.924 39.362 21.094 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 11 . 1492 . 1 1 4 . OE1 O 29.209 44.973 20.208 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 11 . 1493 . 1 1 5 ARG C C 28.652 37.517 23.365 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 11 . 1494 . 1 1 5 ARG CA C 29.883 38.415 23.403 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 11 . 1495 . 1 1 5 ARG CB C 30.237 38.421 24.890 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 11 . 1496 . 1 1 5 ARG CD C 32.793 37.930 24.620 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 11 . 1497 . 1 1 5 ARG CG C 31.681 38.769 25.239 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 11 . 1498 . 1 1 5 ARG CZ C 33.478 37.645 22.241 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 11 . 1499 . 1 1 5 ARG H H 29.129 40.413 23.417 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 11 . 1500 . 1 1 5 ARG HA H 30.536 37.876 22.727 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 11 . 1501 . 1 1 5 ARG HB2 H 29.645 39.194 25.378 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 11 . 1502 . 1 1 5 ARG HB3 H 30.059 37.508 25.459 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 11 . 1503 . 1 1 5 ARG HD2 H 33.652 38.041 25.281 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 11 . 1504 . 1 1 5 ARG HD3 H 32.475 36.893 24.608 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 11 . 1505 . 1 1 5 ARG HE H 32.881 39.366 23.046 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 11 . 1506 . 1 1 5 ARG HG2 H 31.798 39.813 24.950 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 11 . 1507 . 1 1 5 ARG HG3 H 31.749 38.653 26.322 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 11 . 1508 . 1 1 5 ARG HH11 H 33.549 39.155 20.872 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 11 . 1509 . 1 1 5 ARG HH12 H 34.142 37.560 20.356 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 11 . 1510 . 1 1 5 ARG HH21 H 33.696 35.868 23.274 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 11 . 1511 . 1 1 5 ARG HH22 H 33.982 35.766 21.581 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 11 . 1512 . 1 1 5 ARG N N 29.689 39.754 22.903 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 11 . 1513 . 1 1 5 ARG NE N 33.110 38.411 23.272 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 11 . 1514 . 1 1 5 ARG NH1 N 33.709 38.168 21.033 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 11 . 1515 . 1 1 5 ARG NH2 N 33.677 36.318 22.369 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 11 . 1516 . 1 1 5 ARG O O 27.684 37.715 24.112 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 11 . 1517 . 1 1 6 . C C 26.473 35.432 22.857 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 11 . 1518 . 1 1 6 . CA C 27.502 35.908 21.841 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 11 . 1519 . 1 1 6 . CB C 27.000 36.757 20.674 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 11 . 1520 . 1 1 6 . CD C 26.000 38.908 19.859 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 11 . 1521 . 1 1 6 . CG C 26.895 38.260 20.907 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 11 . 1522 . 1 1 6 . H H 29.524 36.239 22.038 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 11 . 1523 . 1 1 6 . HA H 27.917 34.985 21.447 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 11 . 1524 . 1 1 6 . HB2 H 26.088 36.268 20.349 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 11 . 1525 . 1 1 6 . HB3 H 27.758 36.602 19.909 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 11 . 1526 . 1 1 6 . HG2 H 27.907 38.654 20.854 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 11 . 1527 . 1 1 6 . HG3 H 26.382 38.447 21.847 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 11 . 1528 . 1 1 6 . N N 28.652 36.561 22.436 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 11 . 1529 . 1 1 6 . O O 25.307 35.826 22.721 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 11 . 1530 . 1 1 6 . OE1 O 25.295 39.923 20.051 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 11 . 1531 . 1 1 6 . OE2 O 25.963 38.393 18.726 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 11 . 1532 . 1 1 7 PRO C C 24.958 34.712 25.504 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 11 . 1533 . 1 1 7 PRO CA C 25.745 33.829 24.544 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 11 . 1534 . 1 1 7 PRO CB C 26.464 32.652 25.184 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 11 . 1535 . 1 1 7 PRO CD C 28.075 34.089 24.206 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 11 . 1536 . 1 1 7 PRO CG C 27.878 32.635 24.637 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 11 . 1537 . 1 1 7 PRO HA H 25.008 33.371 23.878 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 11 . 1538 . 1 1 7 PRO HB2 H 26.561 32.888 26.241 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 11 . 1539 . 1 1 7 PRO HB3 H 25.938 31.710 24.999 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 11 . 1540 . 1 1 7 PRO HD2 H 28.389 34.704 25.056 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 11 . 1541 . 1 1 7 PRO HD3 H 28.859 34.113 23.444 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 11 . 1542 . 1 1 7 PRO HG2 H 28.652 32.295 25.328 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 11 . 1543 . 1 1 7 PRO HG3 H 27.872 32.050 23.720 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 11 . 1544 . 1 1 7 PRO N N 26.769 34.580 23.837 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 11 . 1545 . 1 1 7 PRO O O 23.955 34.256 26.037 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 11 . 1546 . 1 1 8 GLN C C 23.944 37.895 26.031 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 11 . 1547 . 1 1 8 GLN CA C 24.804 36.830 26.697 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 11 . 1548 . 1 1 8 GLN CB C 25.857 37.462 27.604 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 11 . 1549 . 1 1 8 GLN CD C 27.708 35.750 27.932 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 11 . 1550 . 1 1 8 GLN CG C 26.618 36.585 28.584 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 11 . 1551 . 1 1 8 GLN H H 26.289 36.201 25.273 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 11 . 1552 . 1 1 8 GLN HA H 24.038 36.365 27.306 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 11 . 1553 . 1 1 8 GLN HB2 H 26.493 38.001 26.899 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 11 . 1554 . 1 1 8 GLN HB3 H 25.371 38.274 28.158 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 11 . 1555 . 1 1 8 GLN HE21 H 28.787 37.430 27.729 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 11 . 1556 . 1 1 8 GLN HE22 H 29.373 35.890 26.929 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 11 . 1557 . 1 1 8 GLN HG2 H 27.064 37.231 29.344 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 11 . 1558 . 1 1 8 GLN HG3 H 25.872 35.996 29.115 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 11 . 1559 . 1 1 8 GLN N N 25.426 35.945 25.730 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 11 . 1560 . 1 1 8 GLN NE2 N 28.777 36.443 27.530 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 11 . 1561 . 1 1 8 GLN O O 23.128 38.502 26.720 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 11 . 1562 . 1 1 8 GLN OE1 O 27.631 34.535 27.740 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 12 . 1563 . 1 1 1 . C C 23.596 40.411 23.896 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 12 . 1564 . 1 1 1 . CA C 23.193 38.943 23.847 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 12 . 1565 . 1 1 1 . CB C 23.150 38.394 22.416 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 12 . 1566 . 1 1 1 . CD C 21.962 38.521 20.190 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 12 . 1567 . 1 1 1 . CG C 22.287 39.243 21.483 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 12 . 1568 . 1 1 1 . CZ C 23.219 37.311 18.364 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 12 . 1569 . 1 1 1 . H1 H 24.659 37.411 24.180 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 12 . 1570 . 1 1 1 . HA H 22.183 38.824 24.224 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 12 . 1571 . 1 1 1 . HB2 H 22.721 37.392 22.480 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 12 . 1572 . 1 1 1 . HB3 H 24.164 38.279 22.036 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 12 . 1573 . 1 1 1 . HD2 H 21.263 39.123 19.614 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 12 . 1574 . 1 1 1 . HD3 H 21.471 37.578 20.469 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 12 . 1575 . 1 1 1 . HE H 23.632 39.132 19.141 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 12 . 1576 . 1 1 1 . HG2 H 22.782 40.176 21.206 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 12 . 1577 . 1 1 1 . HG3 H 21.349 39.555 21.926 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 12 . 1578 . 1 1 1 . HH11 H 24.827 38.034 17.279 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 12 . 1579 . 1 1 1 . HH12 H 24.274 36.422 16.920 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 12 . 1580 . 1 1 1 . HH21 H 21.801 36.188 19.210 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 12 . 1581 . 1 1 1 . HH22 H 22.642 35.497 17.802 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 12 . 1582 . 1 1 1 . N N 24.015 38.040 24.634 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 12 . 1583 . 1 1 1 . NE N 23.060 38.308 19.243 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 12 . 1584 . 1 1 1 . NH1 N 24.262 37.241 17.513 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 12 . 1585 . 1 1 1 . NH2 N 22.381 36.272 18.390 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 12 . 1586 . 1 1 1 . O O 22.809 41.251 23.463 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 12 . 1587 . 1 1 2 GLN C C 26.814 42.084 24.638 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 12 . 1588 . 1 1 2 GLN CA C 25.304 41.974 24.817 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 12 . 1589 . 1 1 2 GLN CB C 24.836 42.177 26.260 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 12 . 1590 . 1 1 2 GLN CD C 22.862 43.769 25.938 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 12 . 1591 . 1 1 2 GLN CG C 23.369 42.478 26.556 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 12 . 1592 . 1 1 2 GLN H H 25.396 39.898 24.619 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 12 . 1593 . 1 1 2 GLN HA H 24.669 42.698 24.321 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 12 . 1594 . 1 1 2 GLN HB2 H 25.089 41.305 26.856 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 12 . 1595 . 1 1 2 GLN HB3 H 25.359 43.064 26.612 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 12 . 1596 . 1 1 2 GLN HE21 H 21.219 42.830 25.390 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 12 . 1597 . 1 1 2 GLN HE22 H 21.333 44.516 24.882 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 12 . 1598 . 1 1 2 GLN HG2 H 22.665 41.712 26.230 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 12 . 1599 . 1 1 2 GLN HG3 H 23.394 42.592 27.635 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 12 . 1600 . 1 1 2 GLN N N 24.742 40.662 24.530 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 12 . 1601 . 1 1 2 GLN NE2 N 21.764 43.654 25.175 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 12 . 1602 . 1 1 2 GLN O O 27.559 41.189 25.026 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 12 . 1603 . 1 1 2 GLN OE1 O 23.488 44.831 25.871 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 12 . 1604 . 1 1 3 DPR C C 29.714 42.695 23.482 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 12 . 1605 . 1 1 3 DPR CA C 28.708 43.468 24.323 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 12 . 1606 . 1 1 3 DPR CB C 28.820 44.951 24.017 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 12 . 1607 . 1 1 3 DPR CD C 26.540 44.414 23.805 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 12 . 1608 . 1 1 3 DPR CG C 27.441 45.508 24.385 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 12 . 1609 . 1 1 3 DPR HA H 28.956 43.199 25.346 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 12 . 1610 . 1 1 3 DPR HB2 H 28.913 45.130 22.942 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 12 . 1611 . 1 1 3 DPR HB3 H 29.614 45.435 24.591 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 12 . 1612 . 1 1 3 DPR HD2 H 26.348 44.541 22.741 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 12 . 1613 . 1 1 3 DPR HD3 H 25.643 44.415 24.424 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 12 . 1614 . 1 1 3 DPR HG2 H 27.219 46.456 23.898 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 12 . 1615 . 1 1 3 DPR HG3 H 27.426 45.557 25.467 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 12 . 1616 . 1 1 3 DPR N N 27.294 43.206 24.115 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 12 . 1617 . 1 1 3 DPR O O 30.849 42.525 23.913 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 12 . 1618 . 1 1 4 . C C 30.459 40.083 21.771 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 12 . 1619 . 1 1 4 . CA C 30.178 41.527 21.388 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 12 . 1620 . 1 1 4 . CB C 29.469 41.496 20.030 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 12 . 1621 . 1 1 4 . CD C 28.916 43.969 20.000 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 12 . 1622 . 1 1 4 . CG C 29.560 42.809 19.264 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 12 . 1623 . 1 1 4 . H H 28.345 42.361 22.044 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 12 . 1624 . 1 1 4 . HA H 31.132 42.038 21.326 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 12 . 1625 . 1 1 4 . HB2 H 28.400 41.282 20.048 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 12 . 1626 . 1 1 4 . HB3 H 29.975 40.757 19.408 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 12 . 1627 . 1 1 4 . HE21 H 26.977 43.250 19.946 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 12 . 1628 . 1 1 4 . HE22 H 27.356 44.893 20.637 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 12 . 1629 . 1 1 4 . HG2 H 29.082 42.835 18.283 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 12 . 1630 . 1 1 4 . HG3 H 30.615 43.046 19.122 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 12 . 1631 . 1 1 4 . N N 29.273 42.122 22.350 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 12 . 1632 . 1 1 4 . NE2 N 27.592 43.991 20.234 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 12 . 1633 . 1 1 4 . O O 31.379 39.452 21.261 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 12 . 1634 . 1 1 4 . OE1 O 29.508 44.981 20.341 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 12 . 1635 . 1 1 5 ARG C C 28.484 37.599 23.080 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 12 . 1636 . 1 1 5 ARG CA C 29.847 38.221 23.345 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 12 . 1637 . 1 1 5 ARG CB C 30.405 38.210 24.771 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 12 . 1638 . 1 1 5 ARG CD C 32.405 38.156 26.195 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 12 . 1639 . 1 1 5 ARG CG C 31.926 38.361 24.764 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 12 . 1640 . 1 1 5 ARG CZ C 32.386 39.209 28.464 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 12 . 1641 . 1 1 5 ARG H H 29.111 40.166 23.254 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 12 . 1642 . 1 1 5 ARG HA H 30.481 37.594 22.716 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 12 . 1643 . 1 1 5 ARG HB2 H 29.911 39.000 25.317 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 12 . 1644 . 1 1 5 ARG HB3 H 30.140 37.240 25.199 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 12 . 1645 . 1 1 5 ARG HD2 H 32.005 37.175 26.464 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 12 . 1646 . 1 1 5 ARG HD3 H 33.489 38.164 26.139 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 12 . 1647 . 1 1 5 ARG HE H 31.463 39.988 26.953 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 12 . 1648 . 1 1 5 ARG HG2 H 32.284 37.588 24.095 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 12 . 1649 . 1 1 5 ARG HG3 H 32.092 39.382 24.412 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 12 . 1650 . 1 1 5 ARG HH11 H 31.297 40.875 29.008 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 12 . 1651 . 1 1 5 ARG HH12 H 32.302 40.284 30.238 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 12 . 1652 . 1 1 5 ARG HH21 H 33.492 37.484 28.414 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 12 . 1653 . 1 1 5 ARG HH22 H 33.507 38.305 29.911 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 12 . 1654 . 1 1 5 ARG N N 29.749 39.549 22.765 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 12 . 1655 . 1 1 5 ARG NE N 32.004 39.156 27.184 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 12 . 1656 . 1 1 5 ARG NH1 N 32.009 40.210 29.277 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 12 . 1657 . 1 1 5 ARG NH2 N 33.300 38.336 28.918 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 12 . 1658 . 1 1 5 ARG O O 27.493 37.892 23.750 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 12 . 1659 . 1 1 6 . C C 26.218 35.561 22.766 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 12 . 1660 . 1 1 6 . CA C 27.175 36.042 21.676 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 12 . 1661 . 1 1 6 . CB C 26.581 36.928 20.589 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 12 . 1662 . 1 1 6 . CD C 26.193 39.197 19.438 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 12 . 1663 . 1 1 6 . CG C 26.874 38.430 20.555 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 12 . 1664 . 1 1 6 . H H 29.262 36.356 21.720 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 12 . 1665 . 1 1 6 . HA H 27.405 35.053 21.271 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 12 . 1666 . 1 1 6 . HB2 H 25.510 36.764 20.501 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 12 . 1667 . 1 1 6 . HB3 H 27.081 36.644 19.662 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 12 . 1668 . 1 1 6 . HG2 H 27.938 38.640 20.574 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 12 . 1669 . 1 1 6 . HG3 H 26.489 38.808 21.509 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 12 . 1670 . 1 1 6 . N N 28.398 36.656 22.151 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 12 . 1671 . 1 1 6 . O O 25.036 35.871 22.753 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 12 . 1672 . 1 1 6 . OE1 O 26.738 39.129 18.313 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 12 . 1673 . 1 1 6 . OE2 O 25.194 39.918 19.635 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 12 . 1674 . 1 1 7 PRO C C 25.357 35.113 25.695 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 12 . 1675 . 1 1 7 PRO CA C 25.883 34.103 24.685 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 12 . 1676 . 1 1 7 PRO CB C 26.697 32.949 25.257 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 12 . 1677 . 1 1 7 PRO CD C 27.982 33.997 23.614 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 12 . 1678 . 1 1 7 PRO CG C 27.722 32.600 24.180 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 12 . 1679 . 1 1 7 PRO HA H 25.028 33.650 24.189 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 12 . 1680 . 1 1 7 PRO HB2 H 27.287 33.352 26.089 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 12 . 1681 . 1 1 7 PRO HB3 H 26.043 32.173 25.652 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 12 . 1682 . 1 1 7 PRO HD2 H 28.764 34.524 24.156 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 12 . 1683 . 1 1 7 PRO HD3 H 28.387 33.891 22.608 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 12 . 1684 . 1 1 7 PRO HG2 H 28.645 32.120 24.512 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 12 . 1685 . 1 1 7 PRO HG3 H 27.262 32.001 23.398 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 12 . 1686 . 1 1 7 PRO N N 26.708 34.683 23.645 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 12 . 1687 . 1 1 7 PRO O O 24.303 34.863 26.265 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 12 . 1688 . 1 1 8 GLN C C 24.230 38.061 25.953 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 12 . 1689 . 1 1 8 GLN CA C 25.382 37.333 26.639 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 12 . 1690 . 1 1 8 GLN CB C 26.409 38.386 27.052 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 12 . 1691 . 1 1 8 GLN CD C 28.486 39.093 28.230 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 12 . 1692 . 1 1 8 GLN CG C 27.748 37.921 27.605 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 12 . 1693 . 1 1 8 GLN H H 26.703 36.556 25.194 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 12 . 1694 . 1 1 8 GLN HA H 24.957 36.910 27.548 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 12 . 1695 . 1 1 8 GLN HB2 H 26.635 39.081 26.250 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 12 . 1696 . 1 1 8 GLN HB3 H 25.949 38.983 27.839 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 12 . 1697 . 1 1 8 GLN HE21 H 28.561 40.086 26.460 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 12 . 1698 . 1 1 8 GLN HE22 H 29.263 40.942 27.793 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 12 . 1699 . 1 1 8 GLN HG2 H 27.537 37.246 28.429 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 12 . 1700 . 1 1 8 GLN HG3 H 28.358 37.503 26.793 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 12 . 1701 . 1 1 8 GLN N N 25.985 36.285 25.837 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 12 . 1702 . 1 1 8 GLN NE2 N 28.837 40.105 27.434 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 12 . 1703 . 1 1 8 GLN O O 23.379 38.676 26.588 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 12 . 1704 . 1 1 8 GLN OE1 O 28.736 39.130 29.431 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 13 . 1705 . 1 1 1 . C C 23.630 40.349 23.931 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 13 . 1706 . 1 1 1 . CA C 23.141 38.906 23.778 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 13 . 1707 . 1 1 1 . CB C 23.068 38.503 22.309 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 13 . 1708 . 1 1 1 . CD C 21.717 38.724 20.122 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 13 . 1709 . 1 1 1 . CG C 21.865 39.111 21.595 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 13 . 1710 . 1 1 1 . CZ C 22.642 39.503 17.960 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 13 . 1711 . 1 1 1 . H1 H 24.706 37.546 24.045 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 13 . 1712 . 1 1 1 . HA H 22.126 38.814 24.161 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 13 . 1713 . 1 1 1 . HB2 H 23.103 37.423 22.208 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 13 . 1714 . 1 1 1 . HB3 H 23.977 38.827 21.804 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 13 . 1715 . 1 1 1 . HD2 H 20.775 39.107 19.743 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 13 . 1716 . 1 1 1 . HD3 H 21.792 37.642 20.116 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 13 . 1717 . 1 1 1 . HE H 23.710 39.491 19.595 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 13 . 1718 . 1 1 1 . HG2 H 21.973 40.195 21.680 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 13 . 1719 . 1 1 1 . HG3 H 20.947 38.914 22.161 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 13 . 1720 . 1 1 1 . HH11 H 24.375 40.448 17.752 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 13 . 1721 . 1 1 1 . HH12 H 23.718 39.977 16.258 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 13 . 1722 . 1 1 1 . HH21 H 20.910 38.457 17.823 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 13 . 1723 . 1 1 1 . HH22 H 21.327 39.318 16.377 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 13 . 1724 . 1 1 1 . N N 23.982 38.020 24.559 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 13 . 1725 . 1 1 1 . NE N 22.784 39.255 19.261 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 13 . 1726 . 1 1 1 . NH1 N 23.559 40.161 17.234 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 13 . 1727 . 1 1 1 . NH2 N 21.560 39.048 17.318 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 13 . 1728 . 1 1 1 . O O 22.794 41.235 23.802 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 13 . 1729 . 1 1 2 GLN C C 26.853 42.012 24.604 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 13 . 1730 . 1 1 2 GLN CA C 25.369 41.855 24.937 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 13 . 1731 . 1 1 2 GLN CB C 25.203 41.988 26.444 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 13 . 1732 . 1 1 2 GLN CD C 22.994 43.222 26.142 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 13 . 1733 . 1 1 2 GLN CG C 23.760 42.152 26.914 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 13 . 1734 . 1 1 2 GLN H H 25.376 39.806 24.698 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 13 . 1735 . 1 1 2 GLN HA H 24.835 42.669 24.458 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 13 . 1736 . 1 1 2 GLN HB2 H 25.682 41.154 26.949 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 13 . 1737 . 1 1 2 GLN HB3 H 25.713 42.868 26.843 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 13 . 1738 . 1 1 2 GLN HE21 H 21.106 42.459 26.652 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 13 . 1739 . 1 1 2 GLN HE22 H 21.033 43.850 25.809 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 13 . 1740 . 1 1 2 GLN HG2 H 23.231 41.198 26.899 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 13 . 1741 . 1 1 2 GLN HG3 H 23.747 42.373 27.976 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 13 . 1742 . 1 1 2 GLN N N 24.846 40.613 24.394 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 13 . 1743 . 1 1 2 GLN NE2 N 21.655 43.144 26.155 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 13 . 1744 . 1 1 2 GLN O O 27.626 41.064 24.710 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 13 . 1745 . 1 1 2 GLN OE1 O 23.637 44.175 25.710 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 13 . 1746 . 1 1 3 DPR C C 29.697 42.790 23.298 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 13 . 1747 . 1 1 3 DPR CA C 28.761 43.457 24.301 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 13 . 1748 . 1 1 3 DPR CB C 28.819 44.972 24.158 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 13 . 1749 . 1 1 3 DPR CD C 26.634 44.354 23.721 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 13 . 1750 . 1 1 3 DPR CG C 27.714 45.264 23.138 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 13 . 1751 . 1 1 3 DPR HA H 29.045 43.218 25.323 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 13 . 1752 . 1 1 3 DPR HB2 H 29.755 45.273 23.689 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 13 . 1753 . 1 1 3 DPR HB3 H 28.581 45.546 25.055 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 13 . 1754 . 1 1 3 DPR HD2 H 25.805 44.087 23.072 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 13 . 1755 . 1 1 3 DPR HD3 H 26.167 44.801 24.603 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 13 . 1756 . 1 1 3 DPR HG2 H 28.150 44.896 22.204 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 13 . 1757 . 1 1 3 DPR HG3 H 27.311 46.266 23.064 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 13 . 1758 . 1 1 3 DPR N N 27.346 43.180 24.170 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 13 . 1759 . 1 1 3 DPR O O 30.876 42.569 23.584 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 13 . 1760 . 1 1 4 . C C 30.347 40.095 21.724 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 13 . 1761 . 1 1 4 . CA C 30.100 41.536 21.279 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 13 . 1762 . 1 1 4 . CB C 29.579 41.615 19.850 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 13 . 1763 . 1 1 4 . CD C 29.150 44.111 19.498 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 13 . 1764 . 1 1 4 . CG C 29.897 42.868 19.039 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 13 . 1765 . 1 1 4 . H H 28.223 42.079 22.129 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 13 . 1766 . 1 1 4 . HA H 31.088 41.992 21.306 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 13 . 1767 . 1 1 4 . HB2 H 28.498 41.475 19.831 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 13 . 1768 . 1 1 4 . HB3 H 29.884 40.748 19.272 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 13 . 1769 . 1 1 4 . HE21 H 27.404 43.217 19.106 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 13 . 1770 . 1 1 4 . HE22 H 27.323 44.941 19.619 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 13 . 1771 . 1 1 4 . HG2 H 29.595 42.695 17.999 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 13 . 1772 . 1 1 4 . HG3 H 30.986 42.937 19.090 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 13 . 1773 . 1 1 4 . N N 29.214 42.252 22.179 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 13 . 1774 . 1 1 4 . NE2 N 27.812 44.074 19.439 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 13 . 1775 . 1 1 4 . O O 30.966 39.337 20.975 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 13 . 1776 . 1 1 4 . OE1 O 29.722 45.152 19.804 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 13 . 1777 . 1 1 5 ARG C C 28.652 37.624 23.216 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 13 . 1778 . 1 1 5 ARG CA C 30.030 38.253 23.282 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 13 . 1779 . 1 1 5 ARG CB C 30.534 38.258 24.722 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 13 . 1780 . 1 1 5 ARG CD C 32.755 38.188 25.873 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 13 . 1781 . 1 1 5 ARG CG C 32.029 38.527 24.580 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 13 . 1782 . 1 1 5 ARG CZ C 35.073 39.049 26.358 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 13 . 1783 . 1 1 5 ARG H H 29.614 40.337 23.574 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 13 . 1784 . 1 1 5 ARG HA H 30.742 37.756 22.622 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 13 . 1785 . 1 1 5 ARG HB2 H 30.088 39.094 25.256 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 13 . 1786 . 1 1 5 ARG HB3 H 30.406 37.280 25.197 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 13 . 1787 . 1 1 5 ARG HD2 H 32.337 38.854 26.625 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 13 . 1788 . 1 1 5 ARG HD3 H 32.469 37.154 26.035 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 13 . 1789 . 1 1 5 ARG HE H 34.615 37.452 25.202 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 13 . 1790 . 1 1 5 ARG HG2 H 32.437 37.895 23.788 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 13 . 1791 . 1 1 5 ARG HG3 H 32.250 39.553 24.293 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 13 . 1792 . 1 1 5 ARG HH11 H 36.649 37.853 26.083 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 13 . 1793 . 1 1 5 ARG HH12 H 36.913 39.364 27.045 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 13 . 1794 . 1 1 5 ARG HH21 H 33.788 40.582 26.685 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 13 . 1795 . 1 1 5 ARG HH22 H 35.352 40.682 27.502 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 13 . 1796 . 1 1 5 ARG N N 29.907 39.647 22.897 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 13 . 1797 . 1 1 5 ARG NE N 34.220 38.179 25.781 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 13 . 1798 . 1 1 5 ARG NH1 N 36.370 38.748 26.463 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 13 . 1799 . 1 1 5 ARG NH2 N 34.668 40.175 26.955 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 13 . 1800 . 1 1 5 ARG O O 27.717 37.858 23.990 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 13 . 1801 . 1 1 6 . C C 26.282 35.605 22.794 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 13 . 1802 . 1 1 6 . CA C 27.237 36.143 21.725 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 13 . 1803 . 1 1 6 . CB C 26.566 36.891 20.576 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 13 . 1804 . 1 1 6 . CD C 26.251 39.141 19.338 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 13 . 1805 . 1 1 6 . CG C 26.882 38.383 20.496 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 13 . 1806 . 1 1 6 . H H 29.227 36.700 21.565 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 13 . 1807 . 1 1 6 . HA H 27.482 35.164 21.327 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 13 . 1808 . 1 1 6 . HB2 H 25.496 36.708 20.576 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 13 . 1809 . 1 1 6 . HB3 H 26.948 36.461 19.654 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 13 . 1810 . 1 1 6 . HG2 H 27.930 38.692 20.551 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 13 . 1811 . 1 1 6 . HG3 H 26.418 38.857 21.366 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 13 . 1812 . 1 1 6 . N N 28.443 36.798 22.185 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 13 . 1813 . 1 1 6 . O O 25.132 36.019 22.879 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 13 . 1814 . 1 1 6 . OE1 O 25.396 40.043 19.500 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 13 . 1815 . 1 1 6 . OE2 O 26.610 38.754 18.210 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 13 . 1816 . 1 1 7 PRO C C 25.332 35.096 25.779 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 13 . 1817 . 1 1 7 PRO CA C 25.890 34.135 24.747 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 13 . 1818 . 1 1 7 PRO CB C 26.739 33.067 25.418 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 13 . 1819 . 1 1 7 PRO CD C 27.974 34.040 23.647 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 13 . 1820 . 1 1 7 PRO CG C 27.743 32.695 24.320 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 13 . 1821 . 1 1 7 PRO HA H 25.010 33.701 24.264 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 13 . 1822 . 1 1 7 PRO HB2 H 27.243 33.522 26.271 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 13 . 1823 . 1 1 7 PRO HB3 H 26.100 32.242 25.734 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 13 . 1824 . 1 1 7 PRO HD2 H 28.798 34.532 24.166 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 13 . 1825 . 1 1 7 PRO HD3 H 28.197 33.795 22.612 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 13 . 1826 . 1 1 7 PRO HG2 H 28.694 32.390 24.744 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 13 . 1827 . 1 1 7 PRO HG3 H 27.309 31.969 23.630 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 13 . 1828 . 1 1 7 PRO N N 26.699 34.737 23.714 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 13 . 1829 . 1 1 7 PRO O O 24.423 34.767 26.546 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 13 . 1830 . 1 1 8 GLN C C 24.034 38.022 25.892 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 13 . 1831 . 1 1 8 GLN CA C 25.143 37.324 26.672 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 13 . 1832 . 1 1 8 GLN CB C 26.200 38.372 27.035 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 13 . 1833 . 1 1 8 GLN CD C 28.391 38.907 28.239 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 13 . 1834 . 1 1 8 GLN CG C 27.539 37.850 27.553 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 13 . 1835 . 1 1 8 GLN H H 26.646 36.637 25.369 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 13 . 1836 . 1 1 8 GLN HA H 24.723 36.904 27.583 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 13 . 1837 . 1 1 8 GLN HB2 H 26.392 39.067 26.218 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 13 . 1838 . 1 1 8 GLN HB3 H 25.782 38.970 27.841 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 13 . 1839 . 1 1 8 GLN HE21 H 28.205 40.282 26.714 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 13 . 1840 . 1 1 8 GLN HE22 H 29.228 40.735 28.041 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 13 . 1841 . 1 1 8 GLN HG2 H 27.304 36.977 28.174 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 13 . 1842 . 1 1 8 GLN HG3 H 28.098 37.495 26.692 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 13 . 1843 . 1 1 8 GLN N N 25.849 36.323 25.897 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 13 . 1844 . 1 1 8 GLN NE2 N 28.568 40.087 27.636 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 13 . 1845 . 1 1 8 GLN O O 23.305 38.751 26.576 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 13 . 1846 . 1 1 8 GLN OE1 O 28.840 38.702 29.359 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 14 . 1847 . 1 1 1 . C C 23.441 40.646 24.091 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 14 . 1848 . 1 1 1 . CA C 22.994 39.189 23.956 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 14 . 1849 . 1 1 1 . CB C 22.866 38.825 22.488 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 14 . 1850 . 1 1 1 . CD C 21.312 38.938 20.532 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 14 . 1851 . 1 1 1 . CG C 21.633 39.508 21.909 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 14 . 1852 . 1 1 1 . CZ C 22.326 38.675 18.274 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 14 . 1853 . 1 1 1 . H1 H 24.685 37.935 24.051 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 14 . 1854 . 1 1 1 . HA H 22.036 39.144 24.472 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 14 . 1855 . 1 1 1 . HB2 H 22.659 37.754 22.370 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 14 . 1856 . 1 1 1 . HB3 H 23.772 38.911 21.883 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 14 . 1857 . 1 1 1 . HD2 H 20.379 39.335 20.139 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 14 . 1858 . 1 1 1 . HD3 H 21.054 37.880 20.562 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 14 . 1859 . 1 1 1 . HE H 23.254 39.459 19.890 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 14 . 1860 . 1 1 1 . HG2 H 21.857 40.577 21.818 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 14 . 1861 . 1 1 1 . HG3 H 20.779 39.210 22.512 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 14 . 1862 . 1 1 1 . HH11 H 24.297 38.681 18.104 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 14 . 1863 . 1 1 1 . HH12 H 23.289 38.284 16.606 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 14 . 1864 . 1 1 1 . HH21 H 20.261 38.532 18.064 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 14 . 1865 . 1 1 1 . HH22 H 21.193 38.452 16.630 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 14 . 1866 . 1 1 1 . N N 23.894 38.254 24.596 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 14 . 1867 . 1 1 1 . NE N 22.379 39.100 19.544 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 14 . 1868 . 1 1 1 . NH1 N 23.457 38.548 17.571 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 14 . 1869 . 1 1 1 . NH2 N 21.170 38.469 17.641 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 14 . 1870 . 1 1 1 . O O 22.638 41.577 24.048 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 14 . 1871 . 1 1 2 GLN C C 26.722 42.188 24.687 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 14 . 1872 . 1 1 2 GLN CA C 25.237 42.108 25.024 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 14 . 1873 . 1 1 2 GLN CB C 25.011 42.134 26.526 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 14 . 1874 . 1 1 2 GLN CD C 22.598 43.003 26.888 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 14 . 1875 . 1 1 2 GLN CG C 23.629 41.901 27.134 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 14 . 1876 . 1 1 2 GLN H H 25.422 40.235 24.183 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 14 . 1877 . 1 1 2 GLN HA H 24.759 42.917 24.463 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 14 . 1878 . 1 1 2 GLN HB2 H 25.559 41.339 27.016 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 14 . 1879 . 1 1 2 GLN HB3 H 25.445 43.071 26.881 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 14 . 1880 . 1 1 2 GLN HE21 H 21.056 41.803 27.242 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 14 . 1881 . 1 1 2 GLN HE22 H 20.627 43.408 26.678 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 14 . 1882 . 1 1 2 GLN HG2 H 23.219 40.984 26.708 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 14 . 1883 . 1 1 2 GLN HG3 H 23.691 41.600 28.179 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 14 . 1884 . 1 1 2 GLN N N 24.704 40.901 24.434 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 14 . 1885 . 1 1 2 GLN NE2 N 21.294 42.764 27.070 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 14 . 1886 . 1 1 2 GLN O O 27.386 41.158 24.739 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 14 . 1887 . 1 1 2 GLN OE1 O 22.909 44.133 26.530 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 14 . 1888 . 1 1 3 DPR C C 29.628 42.685 23.441 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 14 . 1889 . 1 1 3 DPR CA C 28.719 43.540 24.318 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 14 . 1890 . 1 1 3 DPR CB C 28.907 44.965 23.825 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 14 . 1891 . 1 1 3 DPR CD C 26.588 44.554 23.962 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 14 . 1892 . 1 1 3 DPR CG C 27.585 45.707 23.938 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 14 . 1893 . 1 1 3 DPR HA H 29.049 43.452 25.353 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 14 . 1894 . 1 1 3 DPR HB2 H 29.281 44.990 22.800 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 14 . 1895 . 1 1 3 DPR HB3 H 29.688 45.477 24.398 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 14 . 1896 . 1 1 3 DPR HD2 H 26.181 44.508 22.957 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 14 . 1897 . 1 1 3 DPR HD3 H 25.870 44.691 24.763 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 14 . 1898 . 1 1 3 DPR HG2 H 27.566 46.470 23.159 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 14 . 1899 . 1 1 3 DPR HG3 H 27.601 46.219 24.900 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 14 . 1900 . 1 1 3 DPR N N 27.293 43.313 24.253 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 14 . 1901 . 1 1 3 DPR O O 30.804 42.466 23.736 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 14 . 1902 . 1 1 4 . C C 30.277 39.956 21.710 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 14 . 1903 . 1 1 4 . CA C 29.873 41.365 21.294 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 14 . 1904 . 1 1 4 . CB C 29.040 41.378 20.014 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 14 . 1905 . 1 1 4 . CD C 27.917 43.641 19.723 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 14 . 1906 . 1 1 4 . CG C 29.027 42.704 19.265 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 14 . 1907 . 1 1 4 . H H 28.184 42.144 22.177 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 14 . 1908 . 1 1 4 . HA H 30.735 41.931 20.930 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 14 . 1909 . 1 1 4 . HB2 H 28.080 40.957 20.315 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 14 . 1910 . 1 1 4 . HB3 H 29.482 40.663 19.328 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 14 . 1911 . 1 1 4 . HE21 H 26.436 42.790 18.602 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 14 . 1912 . 1 1 4 . HE22 H 25.990 44.084 19.718 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 14 . 1913 . 1 1 4 . HG2 H 28.890 42.478 18.208 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 14 . 1914 . 1 1 4 . HG3 H 29.998 43.192 19.426 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 14 . 1915 . 1 1 4 . N N 29.182 42.112 22.329 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 14 . 1916 . 1 1 4 . NE2 N 26.688 43.557 19.211 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 14 . 1917 . 1 1 4 . O O 30.826 39.307 20.818 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 14 . 1918 . 1 1 4 . OE1 O 28.119 44.500 20.580 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 14 . 1919 . 1 1 5 ARG C C 28.865 37.315 23.202 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 14 . 1920 . 1 1 5 ARG CA C 30.183 38.086 23.317 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 14 . 1921 . 1 1 5 ARG CB C 30.671 38.100 24.761 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 14 . 1922 . 1 1 5 ARG CD C 32.646 38.721 26.226 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 14 . 1923 . 1 1 5 ARG CG C 32.039 38.758 24.824 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 14 . 1924 . 1 1 5 ARG CZ C 34.675 39.592 27.346 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 14 . 1925 . 1 1 5 ARG H H 29.643 40.124 23.591 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 14 . 1926 . 1 1 5 ARG HA H 30.902 37.611 22.659 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 14 . 1927 . 1 1 5 ARG HB2 H 30.000 38.641 25.417 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 14 . 1928 . 1 1 5 ARG HB3 H 30.775 37.087 25.155 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 14 . 1929 . 1 1 5 ARG HD2 H 32.144 39.471 26.824 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 14 . 1930 . 1 1 5 ARG HD3 H 32.539 37.749 26.698 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 14 . 1931 . 1 1 5 ARG HE H 34.541 39.453 25.382 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 14 . 1932 . 1 1 5 ARG HG2 H 32.738 38.206 24.198 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 14 . 1933 . 1 1 5 ARG HG3 H 31.884 39.787 24.523 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 14 . 1934 . 1 1 5 ARG HH11 H 36.427 40.227 26.501 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 14 . 1935 . 1 1 5 ARG HH12 H 36.286 40.417 28.237 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 14 . 1936 . 1 1 5 ARG HH21 H 33.169 39.339 28.595 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 14 . 1937 . 1 1 5 ARG HH22 H 34.681 39.649 29.397 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 14 . 1938 . 1 1 5 ARG N N 29.946 39.458 22.899 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 14 . 1939 . 1 1 5 ARG NE N 34.025 39.232 26.222 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 14 . 1940 . 1 1 5 ARG NH1 N 35.883 40.161 27.351 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 14 . 1941 . 1 1 5 ARG NH2 N 34.178 39.366 28.568 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 14 . 1942 . 1 1 5 ARG O O 27.979 37.466 24.043 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 14 . 1943 . 1 1 6 . C C 26.572 35.457 22.728 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 14 . 1944 . 1 1 6 . CA C 27.553 35.912 21.656 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 14 . 1945 . 1 1 6 . CB C 27.051 36.783 20.518 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 14 . 1946 . 1 1 6 . CD C 25.933 38.965 19.855 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 14 . 1947 . 1 1 6 . CG C 26.745 38.230 20.911 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 14 . 1948 . 1 1 6 . H H 29.600 36.327 21.601 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 14 . 1949 . 1 1 6 . HA H 27.742 34.934 21.195 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 14 . 1950 . 1 1 6 . HB2 H 26.068 36.408 20.247 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 14 . 1951 . 1 1 6 . HB3 H 27.708 36.734 19.655 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 14 . 1952 . 1 1 6 . HG2 H 27.543 38.868 21.298 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 14 . 1953 . 1 1 6 . HG3 H 26.164 38.145 21.838 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 14 . 1954 . 1 1 6 . N N 28.781 36.485 22.169 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 14 . 1955 . 1 1 6 . O O 25.398 35.800 22.602 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 14 . 1956 . 1 1 6 . OE1 O 25.191 39.944 20.090 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 14 . 1957 . 1 1 6 . OE2 O 26.105 38.593 18.672 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 14 . 1958 . 1 1 7 PRO C C 25.240 35.042 25.584 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 14 . 1959 . 1 1 7 PRO CA C 25.974 34.073 24.671 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 14 . 1960 . 1 1 7 PRO CB C 26.832 33.135 25.518 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 14 . 1961 . 1 1 7 PRO CD C 28.204 33.966 23.813 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 14 . 1962 . 1 1 7 PRO CG C 27.932 32.676 24.580 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 14 . 1963 . 1 1 7 PRO HA H 25.232 33.518 24.104 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 14 . 1964 . 1 1 7 PRO HB2 H 27.321 33.675 26.322 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 14 . 1965 . 1 1 7 PRO HB3 H 26.204 32.297 25.843 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 14 . 1966 . 1 1 7 PRO HD2 H 28.764 34.713 24.387 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 14 . 1967 . 1 1 7 PRO HD3 H 28.805 33.705 22.950 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 14 . 1968 . 1 1 7 PRO HG2 H 28.834 32.405 25.121 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 14 . 1969 . 1 1 7 PRO HG3 H 27.552 31.854 23.965 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 14 . 1970 . 1 1 7 PRO N N 26.894 34.584 23.684 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 14 . 1971 . 1 1 7 PRO O O 24.276 34.648 26.230 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 14 . 1972 . 1 1 8 GLN C C 23.871 37.918 25.890 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 14 . 1973 . 1 1 8 GLN CA C 25.137 37.336 26.484 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 14 . 1974 . 1 1 8 GLN CB C 26.182 38.368 26.886 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 14 . 1975 . 1 1 8 GLN CD C 28.247 38.943 28.100 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 14 . 1976 . 1 1 8 GLN CG C 27.522 37.831 27.360 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 14 . 1977 . 1 1 8 GLN H H 26.534 36.499 25.114 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 14 . 1978 . 1 1 8 GLN HA H 24.691 36.844 27.354 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 14 . 1979 . 1 1 8 GLN HB2 H 26.489 38.836 25.945 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 14 . 1980 . 1 1 8 GLN HB3 H 25.682 39.067 27.548 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 14 . 1981 . 1 1 8 GLN HE21 H 28.383 40.223 26.525 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 14 . 1982 . 1 1 8 GLN HE22 H 29.299 40.629 28.008 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 14 . 1983 . 1 1 8 GLN HG2 H 27.396 36.919 27.946 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 14 . 1984 . 1 1 8 GLN HG3 H 28.140 37.669 26.472 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 14 . 1985 . 1 1 8 GLN N N 25.730 36.275 25.683 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 14 . 1986 . 1 1 8 GLN NE2 N 28.728 40.004 27.450 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 14 . 1987 . 1 1 8 GLN O O 22.948 38.202 26.649 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 14 . 1988 . 1 1 8 GLN OE1 O 28.316 38.915 29.328 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 15 . 1989 . 1 1 1 . C C 23.677 40.632 24.030 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 15 . 1990 . 1 1 1 . CA C 23.119 39.239 23.781 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 15 . 1991 . 1 1 1 . CB C 23.027 38.989 22.277 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 15 . 1992 . 1 1 1 . CD C 21.864 39.665 20.078 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 15 . 1993 . 1 1 1 . CG C 22.352 40.084 21.457 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 15 . 1994 . 1 1 1 . CZ C 22.906 39.125 17.807 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 15 . 1995 . 1 1 1 . H1 H 24.596 37.661 23.978 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 15 . 1996 . 1 1 1 . HA H 22.129 39.208 24.227 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 15 . 1997 . 1 1 1 . HB2 H 22.450 38.096 22.082 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 15 . 1998 . 1 1 1 . HB3 H 24.034 38.935 21.878 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 15 . 1999 . 1 1 1 . HD2 H 21.222 40.420 19.612 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 15 . 2000 . 1 1 1 . HD3 H 21.311 38.733 20.183 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 15 . 2001 . 1 1 1 . HE H 23.893 39.479 19.448 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 15 . 2002 . 1 1 1 . HG2 H 23.011 40.926 21.252 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 15 . 2003 . 1 1 1 . HG3 H 21.500 40.461 22.035 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 15 . 2004 . 1 1 1 . HH11 H 24.877 38.928 17.629 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 15 . 2005 . 1 1 1 . HH12 H 24.144 38.890 16.109 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 15 . 2006 . 1 1 1 . HH21 H 20.887 39.473 17.375 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 15 . 2007 . 1 1 1 . HH22 H 21.930 39.041 16.060 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 15 . 2008 . 1 1 1 . N N 23.874 38.200 24.441 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 15 . 2009 . 1 1 1 . NE N 22.941 39.424 19.120 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 15 . 2010 . 1 1 1 . NH1 N 24.018 38.864 17.113 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 15 . 2011 . 1 1 1 . NH2 N 21.812 39.243 17.042 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 15 . 2012 . 1 1 1 . O O 22.996 41.639 23.855 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 15 . 2013 . 1 1 2 GLN C C 26.991 41.975 24.800 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 15 . 2014 . 1 1 2 GLN CA C 25.487 41.916 25.062 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 15 . 2015 . 1 1 2 GLN CB C 25.225 42.024 26.558 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 15 . 2016 . 1 1 2 GLN CD C 23.438 43.832 26.471 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 15 . 2017 . 1 1 2 GLN CG C 23.781 42.404 26.876 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 15 . 2018 . 1 1 2 GLN H H 25.483 39.865 24.564 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 15 . 2019 . 1 1 2 GLN HA H 24.982 42.741 24.549 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 15 . 2020 . 1 1 2 GLN HB2 H 25.550 41.094 27.003 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 15 . 2021 . 1 1 2 GLN HB3 H 25.856 42.832 26.941 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 15 . 2022 . 1 1 2 GLN HE21 H 21.523 43.285 26.131 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 15 . 2023 . 1 1 2 GLN HE22 H 21.865 44.940 25.760 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 15 . 2024 . 1 1 2 GLN HG2 H 23.108 41.691 26.378 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 15 . 2025 . 1 1 2 GLN HG3 H 23.599 42.357 27.954 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 15 . 2026 . 1 1 2 GLN N N 24.913 40.697 24.543 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 15 . 2027 . 1 1 2 GLN NE2 N 22.204 44.013 25.976 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 15 . 2028 . 1 1 2 GLN O O 27.715 41.021 25.067 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 15 . 2029 . 1 1 2 GLN OE1 O 24.206 44.783 26.519 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 15 . 2030 . 1 1 3 DPR C C 29.655 42.850 23.244 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 15 . 2031 . 1 1 3 DPR CA C 28.863 43.509 24.367 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 15 . 2032 . 1 1 3 DPR CB C 28.943 45.030 24.249 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 15 . 2033 . 1 1 3 DPR CD C 26.703 44.352 24.089 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 15 . 2034 . 1 1 3 DPR CG C 27.652 45.414 23.533 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 15 . 2035 . 1 1 3 DPR HA H 29.349 43.250 25.307 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 15 . 2036 . 1 1 3 DPR HB2 H 29.784 45.412 23.663 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 15 . 2037 . 1 1 3 DPR HB3 H 29.059 45.412 25.270 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 15 . 2038 . 1 1 3 DPR HD2 H 25.873 44.136 23.413 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 15 . 2039 . 1 1 3 DPR HD3 H 26.315 44.769 25.015 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 15 . 2040 . 1 1 3 DPR HG2 H 27.783 45.325 22.462 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 15 . 2041 . 1 1 3 DPR HG3 H 27.301 46.411 23.795 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 15 . 2042 . 1 1 3 DPR N N 27.463 43.146 24.373 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 15 . 2043 . 1 1 3 DPR O O 30.887 42.873 23.289 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 15 . 2044 . 1 1 4 . C C 29.957 40.071 21.598 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 15 . 2045 . 1 1 4 . CA C 29.709 41.529 21.217 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 15 . 2046 . 1 1 4 . CB C 29.104 41.696 19.820 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 15 . 2047 . 1 1 4 . CD C 28.894 44.223 19.677 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 15 . 2048 . 1 1 4 . CG C 29.419 42.958 19.021 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 15 . 2049 . 1 1 4 . H H 28.036 42.031 22.339 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 15 . 2050 . 1 1 4 . HA H 30.704 41.942 21.127 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 15 . 2051 . 1 1 4 . HB2 H 28.053 41.511 20.016 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 15 . 2052 . 1 1 4 . HB3 H 29.438 40.912 19.141 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 15 . 2053 . 1 1 4 . HE21 H 26.971 43.758 19.198 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 15 . 2054 . 1 1 4 . HE22 H 27.217 45.271 20.083 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 15 . 2055 . 1 1 4 . HG2 H 29.014 42.940 18.012 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 15 . 2056 . 1 1 4 . HG3 H 30.493 43.101 18.868 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 15 . 2057 . 1 1 4 . N N 29.005 42.301 22.224 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 15 . 2058 . 1 1 4 . NE2 N 27.573 44.422 19.671 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 15 . 2059 . 1 1 4 . O O 30.505 39.277 20.832 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 15 . 2060 . 1 1 4 . OE1 O 29.650 45.036 20.204 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 15 . 2061 . 1 1 5 ARG C C 28.658 37.496 23.241 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 15 . 2062 . 1 1 5 ARG CA C 29.946 38.308 23.276 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 15 . 2063 . 1 1 5 ARG CB C 30.497 38.404 24.703 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 15 . 2064 . 1 1 5 ARG CD C 32.201 39.412 26.244 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 15 . 2065 . 1 1 5 ARG CG C 31.862 39.069 24.798 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 15 . 2066 . 1 1 5 ARG CZ C 34.515 40.273 26.230 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 15 . 2067 . 1 1 5 ARG H H 29.211 40.274 23.483 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 15 . 2068 . 1 1 5 ARG HA H 30.686 37.843 22.628 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 15 . 2069 . 1 1 5 ARG HB2 H 29.749 38.854 25.351 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 15 . 2070 . 1 1 5 ARG HB3 H 30.653 37.382 25.049 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 15 . 2071 . 1 1 5 ARG HD2 H 31.305 39.950 26.543 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 15 . 2072 . 1 1 5 ARG HD3 H 32.238 38.581 26.951 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 15 . 2073 . 1 1 5 ARG HE H 32.986 41.249 27.063 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 15 . 2074 . 1 1 5 ARG HG2 H 32.619 38.397 24.381 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 15 . 2075 . 1 1 5 ARG HG3 H 31.766 39.959 24.178 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 15 . 2076 . 1 1 5 ARG HH11 H 35.088 41.962 27.138 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 15 . 2077 . 1 1 5 ARG HH12 H 36.361 41.133 26.207 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 15 . 2078 . 1 1 5 ARG HH21 H 34.474 38.423 25.420 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 15 . 2079 . 1 1 5 ARG HH22 H 36.078 39.127 25.504 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 15 . 2080 . 1 1 5 ARG N N 29.716 39.677 22.848 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 15 . 2081 . 1 1 5 ARG NE N 33.220 40.425 26.518 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 15 . 2082 . 1 1 5 ARG NH1 N 35.398 41.239 26.506 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 15 . 2083 . 1 1 5 ARG NH2 N 35.074 39.208 25.643 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 15 . 2084 . 1 1 5 ARG O O 27.745 37.704 24.044 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 15 . 2085 . 1 1 6 . C C 26.490 35.357 22.747 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 15 . 2086 . 1 1 6 . CA C 27.532 35.794 21.729 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 15 . 2087 . 1 1 6 . CB C 26.984 36.490 20.485 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 15 . 2088 . 1 1 6 . CD C 26.267 38.683 19.389 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 15 . 2089 . 1 1 6 . CG C 26.897 38.008 20.598 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 15 . 2090 . 1 1 6 . H H 29.458 36.452 21.722 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 15 . 2091 . 1 1 6 . HA H 27.860 34.812 21.376 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 15 . 2092 . 1 1 6 . HB2 H 26.020 36.073 20.200 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 15 . 2093 . 1 1 6 . HB3 H 27.669 36.249 19.672 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 15 . 2094 . 1 1 6 . HG2 H 27.794 38.587 20.808 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 15 . 2095 . 1 1 6 . HG3 H 26.329 38.070 21.523 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 15 . 2096 . 1 1 6 . N N 28.626 36.578 22.279 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 15 . 2097 . 1 1 6 . O O 25.316 35.712 22.671 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 15 . 2098 . 1 1 6 . OE1 O 25.704 39.795 19.477 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 15 . 2099 . 1 1 6 . OE2 O 26.386 38.060 18.315 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 15 . 2100 . 1 1 7 PRO C C 25.133 35.015 25.571 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 15 . 2101 . 1 1 7 PRO CA C 26.060 34.073 24.809 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 15 . 2102 . 1 1 7 PRO CB C 26.977 33.265 25.716 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 15 . 2103 . 1 1 7 PRO CD C 28.214 34.034 23.950 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 15 . 2104 . 1 1 7 PRO CG C 28.090 32.760 24.790 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 15 . 2105 . 1 1 7 PRO HA H 25.397 33.355 24.320 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 15 . 2106 . 1 1 7 PRO HB2 H 27.372 33.947 26.462 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 15 . 2107 . 1 1 7 PRO HB3 H 26.422 32.408 26.100 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 15 . 2108 . 1 1 7 PRO HD2 H 28.935 34.689 24.453 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 15 . 2109 . 1 1 7 PRO HD3 H 28.539 33.661 22.984 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 15 . 2110 . 1 1 7 PRO HG2 H 29.054 32.685 25.283 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 15 . 2111 . 1 1 7 PRO HG3 H 27.808 31.949 24.107 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 15 . 2112 . 1 1 7 PRO N N 26.917 34.658 23.796 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 15 . 2113 . 1 1 7 PRO O O 24.086 34.632 26.095 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 15 . 2114 . 1 1 8 GLN C C 23.820 37.947 25.749 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 15 . 2115 . 1 1 8 GLN CA C 24.954 37.241 26.480 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 15 . 2116 . 1 1 8 GLN CB C 25.911 38.357 26.900 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 15 . 2117 . 1 1 8 GLN CD C 27.967 38.931 28.322 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 15 . 2118 . 1 1 8 GLN CG C 27.281 37.930 27.416 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 15 . 2119 . 1 1 8 GLN H H 26.371 36.561 25.065 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 15 . 2120 . 1 1 8 GLN HA H 24.529 36.640 27.283 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 15 . 2121 . 1 1 8 GLN HB2 H 26.026 39.025 26.050 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 15 . 2122 . 1 1 8 GLN HB3 H 25.375 38.929 27.669 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 15 . 2123 . 1 1 8 GLN HE21 H 28.027 40.252 26.804 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 15 . 2124 . 1 1 8 GLN HE22 H 28.578 40.867 28.364 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 15 . 2125 . 1 1 8 GLN HG2 H 27.154 37.045 28.028 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 15 . 2126 . 1 1 8 GLN HG3 H 27.902 37.675 26.552 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 15 . 2127 . 1 1 8 GLN N N 25.553 36.274 25.587 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 15 . 2128 . 1 1 8 GLN NE2 N 28.214 40.122 27.786 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 15 . 2129 . 1 1 8 GLN O O 22.917 38.483 26.391 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 15 . 2130 . 1 1 8 GLN OE1 O 28.118 38.803 29.536 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 16 . 2131 . 1 1 1 . C C 23.398 40.503 24.120 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 16 . 2132 . 1 1 1 . CA C 23.116 39.004 24.115 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 16 . 2133 . 1 1 1 . CB C 23.011 38.485 22.684 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 16 . 2134 . 1 1 1 . CD C 21.405 38.068 20.752 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 16 . 2135 . 1 1 1 . CG C 21.667 38.846 22.036 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 16 . 2136 . 1 1 1 . CZ C 22.510 37.142 18.757 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 16 . 2137 . 1 1 1 . H1 H 24.662 37.561 24.277 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 16 . 2138 . 1 1 1 . HA H 22.135 38.870 24.558 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 16 . 2139 . 1 1 1 . HB2 H 23.102 37.397 22.707 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 16 . 2140 . 1 1 1 . HB3 H 23.841 38.912 22.131 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 16 . 2141 . 1 1 1 . HD2 H 20.579 38.591 20.287 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 16 . 2142 . 1 1 1 . HD3 H 21.180 37.049 21.082 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 16 . 2143 . 1 1 1 . HE H 23.322 38.583 19.851 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 16 . 2144 . 1 1 1 . HG2 H 21.723 39.885 21.715 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 16 . 2145 . 1 1 1 . HG3 H 20.896 38.763 22.792 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 16 . 2146 . 1 1 1 . HH11 H 24.324 37.762 18.325 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 16 . 2147 . 1 1 1 . HH12 H 23.640 36.631 17.109 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 16 . 2148 . 1 1 1 . HH21 H 20.559 36.501 18.949 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 16 . 2149 . 1 1 1 . HH22 H 21.460 35.997 17.527 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 16 . 2150 . 1 1 1 . N N 24.062 38.162 24.824 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 16 . 2151 . 1 1 1 . NE N 22.538 37.953 19.825 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 16 . 2152 . 1 1 1 . NH1 N 23.604 37.133 17.992 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 16 . 2153 . 1 1 1 . NH2 N 21.424 36.420 18.435 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 16 . 2154 . 1 1 1 . O O 22.482 41.301 23.939 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 16 . 2155 . 1 1 2 GLN C C 26.691 42.158 24.129 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 16 . 2156 . 1 1 2 GLN CA C 25.238 42.166 24.581 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 16 . 2157 . 1 1 2 GLN CB C 25.219 42.667 26.018 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 16 . 2158 . 1 1 2 GLN CD C 22.843 43.650 25.723 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 16 . 2159 . 1 1 2 GLN CG C 23.803 42.837 26.582 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 16 . 2160 . 1 1 2 GLN H H 25.299 40.092 24.528 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 16 . 2161 . 1 1 2 GLN HA H 24.639 42.824 23.943 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 16 . 2162 . 1 1 2 GLN HB2 H 25.822 42.024 26.650 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 16 . 2163 . 1 1 2 GLN HB3 H 25.673 43.656 26.077 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 16 . 2164 . 1 1 2 GLN HE21 H 21.200 43.021 26.762 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 16 . 2165 . 1 1 2 GLN HE22 H 20.922 44.164 25.466 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 16 . 2166 . 1 1 2 GLN HG2 H 23.243 41.923 26.753 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 16 . 2167 . 1 1 2 GLN HG3 H 23.832 43.357 27.536 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 16 . 2168 . 1 1 2 GLN N N 24.633 40.853 24.483 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 16 . 2169 . 1 1 2 GLN NE2 N 21.557 43.658 26.056 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 16 . 2170 . 1 1 2 GLN O O 27.285 41.087 24.148 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 16 . 2171 . 1 1 2 GLN OE1 O 23.205 44.500 24.904 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 16 . 2172 . 1 1 3 DPR C C 29.742 42.644 23.609 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 16 . 2173 . 1 1 3 DPR CA C 28.713 43.459 24.368 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 16 . 2174 . 1 1 3 DPR CB C 28.932 44.965 24.299 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 16 . 2175 . 1 1 3 DPR CD C 26.693 44.581 23.739 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 16 . 2176 . 1 1 3 DPR CG C 27.546 45.546 24.559 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 16 . 2177 . 1 1 3 DPR HA H 28.729 43.121 25.399 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 16 . 2178 . 1 1 3 DPR HB2 H 29.293 45.356 23.342 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 16 . 2179 . 1 1 3 DPR HB3 H 29.564 45.372 25.083 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 16 . 2180 . 1 1 3 DPR HD2 H 26.605 44.783 22.672 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 16 . 2181 . 1 1 3 DPR HD3 H 25.694 44.676 24.171 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 16 . 2182 . 1 1 3 DPR HG2 H 27.479 46.529 24.095 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 16 . 2183 . 1 1 3 DPR HG3 H 27.294 45.502 25.612 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 16 . 2184 . 1 1 3 DPR N N 27.345 43.296 23.889 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 16 . 2185 . 1 1 3 DPR O O 30.909 42.540 23.989 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 16 . 2186 . 1 1 4 . C C 30.578 40.088 21.990 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 16 . 2187 . 1 1 4 . CA C 30.080 41.417 21.424 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 16 . 2188 . 1 1 4 . CB C 29.307 41.180 20.124 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 16 . 2189 . 1 1 4 . CD C 28.083 43.399 19.694 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 16 . 2190 . 1 1 4 . CG C 29.008 42.324 19.163 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 16 . 2191 . 1 1 4 . H H 28.407 42.449 22.201 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 16 . 2192 . 1 1 4 . HA H 31.020 41.944 21.219 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 16 . 2193 . 1 1 4 . HB2 H 28.365 40.703 20.364 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 16 . 2194 . 1 1 4 . HB3 H 29.867 40.428 19.556 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 16 . 2195 . 1 1 4 . HE21 H 26.556 42.126 20.132 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 16 . 2196 . 1 1 4 . HE22 H 26.239 43.872 20.244 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 16 . 2197 . 1 1 4 . HG2 H 28.662 41.954 18.193 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 16 . 2198 . 1 1 4 . HG3 H 29.917 42.902 19.008 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 16 . 2199 . 1 1 4 . N N 29.357 42.192 22.407 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 16 . 2200 . 1 1 4 . NE2 N 26.861 43.088 20.121 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 16 . 2201 . 1 1 4 . O O 31.605 39.568 21.588 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 16 . 2202 . 1 1 4 . OE1 O 28.383 44.590 19.737 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 16 . 2203 . 1 1 5 ARG C C 28.573 37.499 23.211 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 16 . 2204 . 1 1 5 ARG CA C 29.940 38.142 23.419 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 16 . 2205 . 1 1 5 ARG CB C 30.286 38.190 24.909 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 16 . 2206 . 1 1 5 ARG CD C 30.979 36.767 26.919 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 16 . 2207 . 1 1 5 ARG CG C 30.357 36.804 25.532 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 16 . 2208 . 1 1 5 ARG CZ C 33.278 35.829 26.625 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 16 . 2209 . 1 1 5 ARG H H 28.931 39.912 23.178 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 16 . 2210 . 1 1 5 ARG HA H 30.657 37.539 22.860 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 16 . 2211 . 1 1 5 ARG HB2 H 31.226 38.744 24.967 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 16 . 2212 . 1 1 5 ARG HB3 H 29.585 38.826 25.450 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 16 . 2213 . 1 1 5 ARG HD2 H 30.604 37.490 27.635 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 16 . 2214 . 1 1 5 ARG HD3 H 30.659 35.820 27.352 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 16 . 2215 . 1 1 5 ARG HE H 32.796 37.791 26.828 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 16 . 2216 . 1 1 5 ARG HG2 H 29.374 36.354 25.683 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 16 . 2217 . 1 1 5 ARG HG3 H 31.041 36.182 24.957 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 16 . 2218 . 1 1 5 ARG HH11 H 34.996 36.838 26.972 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 16 . 2219 . 1 1 5 ARG HH12 H 35.179 35.159 26.489 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 16 . 2220 . 1 1 5 ARG HH21 H 31.869 34.324 26.472 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 16 . 2221 . 1 1 5 ARG HH22 H 33.488 33.792 26.465 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 16 . 2222 . 1 1 5 ARG N N 29.795 39.477 22.882 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 16 . 2223 . 1 1 5 ARG NE N 32.448 36.849 26.857 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 16 . 2224 . 1 1 5 ARG NH1 N 34.602 35.970 26.637 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 16 . 2225 . 1 1 5 ARG NH2 N 32.845 34.562 26.520 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 16 . 2226 . 1 1 5 ARG O O 27.663 37.785 23.980 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 16 . 2227 . 1 1 6 . C C 26.288 35.518 22.605 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 16 . 2228 . 1 1 6 . CA C 27.290 36.075 21.604 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 16 . 2229 . 1 1 6 . CB C 26.599 37.102 20.716 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 16 . 2230 . 1 1 6 . CD C 25.774 39.484 20.301 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 16 . 2231 . 1 1 6 . CG C 26.500 38.530 21.252 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 16 . 2232 . 1 1 6 . H H 29.395 36.365 21.842 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 16 . 2233 . 1 1 6 . HA H 27.596 35.255 20.952 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 16 . 2234 . 1 1 6 . HB2 H 25.621 36.724 20.428 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 16 . 2235 . 1 1 6 . HB3 H 27.157 37.150 19.775 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 16 . 2236 . 1 1 6 . HG2 H 27.529 38.858 21.336 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 16 . 2237 . 1 1 6 . HG3 H 25.973 38.641 22.197 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 16 . 2238 . 1 1 6 . N N 28.482 36.621 22.217 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 16 . 2239 . 1 1 6 . O O 25.135 35.934 22.642 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 16 . 2240 . 1 1 6 . OE1 O 25.165 38.956 19.358 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 16 . 2241 . 1 1 6 . OE2 O 25.660 40.709 20.540 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 16 . 2242 . 1 1 7 PRO C C 25.327 35.045 25.564 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 16 . 2243 . 1 1 7 PRO CA C 25.937 34.074 24.564 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 16 . 2244 . 1 1 7 PRO CB C 26.803 33.155 25.412 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 16 . 2245 . 1 1 7 PRO CD C 28.055 34.047 23.676 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 16 . 2246 . 1 1 7 PRO CG C 27.894 32.730 24.420 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 16 . 2247 . 1 1 7 PRO HA H 25.158 33.492 24.077 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 16 . 2248 . 1 1 7 PRO HB2 H 27.183 33.601 26.326 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 16 . 2249 . 1 1 7 PRO HB3 H 26.157 32.374 25.815 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 16 . 2250 . 1 1 7 PRO HD2 H 28.704 34.719 24.243 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 16 . 2251 . 1 1 7 PRO HD3 H 28.482 33.791 22.705 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 16 . 2252 . 1 1 7 PRO HG2 H 28.841 32.411 24.865 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 16 . 2253 . 1 1 7 PRO HG3 H 27.509 31.936 23.777 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 16 . 2254 . 1 1 7 PRO N N 26.760 34.695 23.548 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 16 . 2255 . 1 1 7 PRO O O 24.464 34.613 26.323 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 16 . 2256 . 1 1 8 GLN C C 24.174 38.093 26.153 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 16 . 2257 . 1 1 8 GLN CA C 25.355 37.273 26.647 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 16 . 2258 . 1 1 8 GLN CB C 26.553 38.192 26.891 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 16 . 2259 . 1 1 8 GLN CD C 28.030 39.885 27.954 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 16 . 2260 . 1 1 8 GLN CG C 26.649 39.266 27.967 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 16 . 2261 . 1 1 8 GLN H H 26.358 36.591 24.905 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 16 . 2262 . 1 1 8 GLN HA H 25.129 36.823 27.619 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 16 . 2263 . 1 1 8 GLN HB2 H 27.430 37.561 27.043 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 16 . 2264 . 1 1 8 GLN HB3 H 26.706 38.690 25.940 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 16 . 2265 . 1 1 8 GLN HE21 H 27.930 40.543 26.024 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 16 . 2266 . 1 1 8 GLN HE22 H 29.419 40.880 26.794 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 16 . 2267 . 1 1 8 GLN HG2 H 25.860 40.006 27.842 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 16 . 2268 . 1 1 8 GLN HG3 H 26.439 38.756 28.905 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 16 . 2269 . 1 1 8 GLN N N 25.801 36.281 25.695 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 16 . 2270 . 1 1 8 GLN NE2 N 28.465 40.561 26.891 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 16 . 2271 . 1 1 8 GLN O O 23.506 38.733 26.967 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 16 . 2272 . 1 1 8 GLN OE1 O 28.840 39.754 28.872 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 17 . 2273 . 1 1 1 . C C 23.799 40.545 24.037 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 17 . 2274 . 1 1 1 . CA C 23.370 39.090 23.887 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 17 . 2275 . 1 1 1 . CB C 23.219 38.578 22.458 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 17 . 2276 . 1 1 1 . CD C 21.770 38.430 20.501 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 17 . 2277 . 1 1 1 . CG C 22.063 39.263 21.751 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 17 . 2278 . 1 1 1 . CZ C 22.691 38.166 18.216 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 17 . 2279 . 1 1 1 . H1 H 24.856 37.588 24.002 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 17 . 2280 . 1 1 1 . HA H 22.406 39.057 24.390 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 17 . 2281 . 1 1 1 . HB2 H 22.999 37.524 22.588 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 17 . 2282 . 1 1 1 . HB3 H 24.158 38.495 21.903 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 17 . 2283 . 1 1 1 . HD2 H 20.777 38.585 20.069 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 17 . 2284 . 1 1 1 . HD3 H 21.738 37.404 20.842 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 17 . 2285 . 1 1 1 . HE H 23.574 39.243 19.660 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 17 . 2286 . 1 1 1 . HG2 H 22.386 40.262 21.456 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 17 . 2287 . 1 1 1 . HG3 H 21.147 39.279 22.346 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 17 . 2288 . 1 1 1 . HH11 H 24.581 38.686 17.907 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 17 . 2289 . 1 1 1 . HH12 H 23.879 37.768 16.596 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 17 . 2290 . 1 1 1 . HH21 H 20.920 37.324 18.390 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 17 . 2291 . 1 1 1 . HH22 H 21.523 37.466 16.707 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 17 . 2292 . 1 1 1 . N N 24.225 38.142 24.569 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 17 . 2293 . 1 1 1 . NE N 22.773 38.659 19.461 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 17 . 2294 . 1 1 1 . NH1 N 23.778 38.326 17.438 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 17 . 2295 . 1 1 1 . NH2 N 21.619 37.543 17.707 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 17 . 2296 . 1 1 1 . O O 22.928 41.383 23.814 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 17 . 2297 . 1 1 2 GLN C C 26.962 42.298 24.612 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 17 . 2298 . 1 1 2 GLN CA C 25.487 42.138 24.977 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 17 . 2299 . 1 1 2 GLN CB C 25.327 42.235 26.487 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 17 . 2300 . 1 1 2 GLN CD C 23.078 43.290 26.822 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 17 . 2301 . 1 1 2 GLN CG C 23.939 42.076 27.118 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 17 . 2302 . 1 1 2 GLN H H 25.695 40.111 24.376 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 17 . 2303 . 1 1 2 GLN HA H 24.922 42.853 24.378 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 17 . 2304 . 1 1 2 GLN HB2 H 25.966 41.522 27.008 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 17 . 2305 . 1 1 2 GLN HB3 H 25.677 43.232 26.776 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 17 . 2306 . 1 1 2 GLN HE21 H 22.305 42.461 25.123 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 17 . 2307 . 1 1 2 GLN HE22 H 21.781 44.103 25.503 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 17 . 2308 . 1 1 2 GLN HG2 H 23.442 41.160 26.787 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 17 . 2309 . 1 1 2 GLN HG3 H 23.909 41.999 28.203 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 17 . 2310 . 1 1 2 GLN N N 25.014 40.860 24.489 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 17 . 2311 . 1 1 2 GLN NE2 N 22.320 43.281 25.724 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 17 . 2312 . 1 1 2 GLN O O 27.718 41.336 24.785 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 17 . 2313 . 1 1 2 GLN OE1 O 23.126 44.312 27.505 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 17 . 2314 . 1 1 3 DPR C C 29.630 43.185 22.881 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 17 . 2315 . 1 1 3 DPR CA C 28.913 43.684 24.131 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 17 . 2316 . 1 1 3 DPR CB C 29.019 45.206 24.095 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 17 . 2317 . 1 1 3 DPR CD C 26.695 44.656 24.141 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 17 . 2318 . 1 1 3 DPR CG C 27.673 45.668 23.552 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 17 . 2319 . 1 1 3 DPR HA H 29.478 43.232 24.956 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 17 . 2320 . 1 1 3 DPR HB2 H 29.821 45.542 23.446 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 17 . 2321 . 1 1 3 DPR HB3 H 29.136 45.544 25.126 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 17 . 2322 . 1 1 3 DPR HD2 H 25.877 44.520 23.436 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 17 . 2323 . 1 1 3 DPR HD3 H 26.482 45.017 25.147 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 17 . 2324 . 1 1 3 DPR HG2 H 27.642 45.594 22.465 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 17 . 2325 . 1 1 3 DPR HG3 H 27.476 46.636 24.001 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 17 . 2326 . 1 1 3 DPR N N 27.488 43.451 24.212 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 17 . 2327 . 1 1 3 DPR O O 30.766 43.560 22.586 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 17 . 2328 . 1 1 4 . C C 30.092 40.088 21.745 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 17 . 2329 . 1 1 4 . CA C 29.791 41.462 21.157 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 17 . 2330 . 1 1 4 . CB C 29.081 41.455 19.804 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 17 . 2331 . 1 1 4 . CD C 28.773 43.947 19.484 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 17 . 2332 . 1 1 4 . CG C 29.230 42.639 18.857 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 17 . 2333 . 1 1 4 . H H 28.138 41.899 22.331 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 17 . 2334 . 1 1 4 . HA H 30.779 41.886 20.994 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 17 . 2335 . 1 1 4 . HB2 H 28.027 41.319 20.068 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 17 . 2336 . 1 1 4 . HB3 H 29.444 40.570 19.291 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 17 . 2337 . 1 1 4 . HE21 H 26.779 43.714 19.013 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 17 . 2338 . 1 1 4 . HE22 H 27.239 45.220 19.753 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 17 . 2339 . 1 1 4 . HG2 H 28.699 42.374 17.948 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 17 . 2340 . 1 1 4 . HG3 H 30.246 42.922 18.557 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 17 . 2341 . 1 1 4 . N N 29.063 42.247 22.123 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 17 . 2342 . 1 1 4 . NE2 N 27.500 44.306 19.398 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 17 . 2343 . 1 1 4 . O O 30.861 39.331 21.152 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 17 . 2344 . 1 1 4 . OE1 O 29.550 44.690 20.092 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 17 . 2345 . 1 1 5 ARG C C 28.590 37.510 23.459 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 17 . 2346 . 1 1 5 ARG CA C 29.806 38.412 23.523 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 17 . 2347 . 1 1 5 ARG CB C 30.287 38.669 24.953 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 17 . 2348 . 1 1 5 ARG CD C 32.270 39.505 26.243 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 17 . 2349 . 1 1 5 ARG CG C 31.708 39.213 24.867 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 17 . 2350 . 1 1 5 ARG CZ C 32.107 42.034 26.505 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 17 . 2351 . 1 1 5 ARG H H 28.905 40.241 23.453 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 17 . 2352 . 1 1 5 ARG HA H 30.604 37.938 22.953 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 17 . 2353 . 1 1 5 ARG HB2 H 29.592 39.355 25.450 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 17 . 2354 . 1 1 5 ARG HB3 H 30.365 37.757 25.544 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 17 . 2355 . 1 1 5 ARG HD2 H 31.952 38.661 26.865 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 17 . 2356 . 1 1 5 ARG HD3 H 33.353 39.533 26.330 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 17 . 2357 . 1 1 5 ARG HE H 31.070 40.632 27.506 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 17 . 2358 . 1 1 5 ARG HG2 H 32.319 38.460 24.368 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 17 . 2359 . 1 1 5 ARG HG3 H 31.703 40.137 24.291 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 17 . 2360 . 1 1 5 ARG HH11 H 31.249 42.830 28.096 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 17 . 2361 . 1 1 5 ARG HH12 H 32.003 44.029 27.020 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 17 . 2362 . 1 1 5 ARG HH21 H 33.461 41.666 24.987 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 17 . 2363 . 1 1 5 ARG HH22 H 33.058 43.303 25.191 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 17 . 2364 . 1 1 5 ARG N N 29.587 39.716 22.924 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 17 . 2365 . 1 1 5 ARG NE N 31.778 40.770 26.795 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 17 . 2366 . 1 1 5 ARG NH1 N 31.685 43.085 27.217 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 17 . 2367 . 1 1 5 ARG NH2 N 32.973 42.360 25.533 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 17 . 2368 . 1 1 5 ARG O O 27.636 37.740 24.198 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 17 . 2369 . 1 1 6 . C C 26.427 35.423 22.774 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 17 . 2370 . 1 1 6 . CA C 27.467 36.029 21.837 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 17 . 2371 . 1 1 6 . CB C 26.977 36.955 20.716 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 17 . 2372 . 1 1 6 . CD C 25.972 39.071 19.867 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 17 . 2373 . 1 1 6 . CG C 26.757 38.441 20.999 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 17 . 2374 . 1 1 6 . H H 29.540 36.507 22.054 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 17 . 2375 . 1 1 6 . HA H 27.796 35.106 21.361 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 17 . 2376 . 1 1 6 . HB2 H 26.006 36.585 20.400 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 17 . 2377 . 1 1 6 . HB3 H 27.734 36.791 19.954 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 17 . 2378 . 1 1 6 . HG2 H 27.734 38.904 21.122 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 17 . 2379 . 1 1 6 . HG3 H 26.205 38.629 21.924 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 17 . 2380 . 1 1 6 . N N 28.625 36.602 22.472 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 17 . 2381 . 1 1 6 . O O 25.295 35.900 22.834 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 17 . 2382 . 1 1 6 . OE1 O 25.047 39.866 20.170 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 17 . 2383 . 1 1 6 . OE2 O 26.314 38.828 18.693 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 17 . 2384 . 1 1 7 PRO C C 25.202 34.768 25.588 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 17 . 2385 . 1 1 7 PRO CA C 25.882 33.857 24.573 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 17 . 2386 . 1 1 7 PRO CB C 26.721 32.819 25.305 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 17 . 2387 . 1 1 7 PRO CD C 28.142 33.958 23.884 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 17 . 2388 . 1 1 7 PRO CG C 27.983 32.569 24.481 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 17 . 2389 . 1 1 7 PRO HA H 25.089 33.417 23.973 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 17 . 2390 . 1 1 7 PRO HB2 H 27.073 33.294 26.220 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 17 . 2391 . 1 1 7 PRO HB3 H 26.167 31.927 25.583 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 17 . 2392 . 1 1 7 PRO HD2 H 28.673 34.583 24.608 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 17 . 2393 . 1 1 7 PRO HD3 H 28.640 33.939 22.907 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 17 . 2394 . 1 1 7 PRO HG2 H 28.756 32.250 25.177 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 17 . 2395 . 1 1 7 PRO HG3 H 27.800 31.871 23.662 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 17 . 2396 . 1 1 7 PRO N N 26.815 34.516 23.675 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 17 . 2397 . 1 1 7 PRO O O 24.138 34.374 26.044 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 17 . 2398 . 1 1 8 GLN C C 24.161 37.994 25.895 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 17 . 2399 . 1 1 8 GLN CA C 24.954 36.939 26.634 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 17 . 2400 . 1 1 8 GLN CB C 25.980 37.675 27.503 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 17 . 2401 . 1 1 8 GLN CD C 28.175 37.272 28.928 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 17 . 2402 . 1 1 8 GLN CG C 26.883 36.739 28.298 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 17 . 2403 . 1 1 8 GLN H H 26.590 36.301 25.484 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 17 . 2404 . 1 1 8 GLN HA H 24.300 36.502 27.389 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 17 . 2405 . 1 1 8 GLN HB2 H 26.601 38.278 26.849 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 17 . 2406 . 1 1 8 GLN HB3 H 25.414 38.330 28.162 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 17 . 2407 . 1 1 8 GLN HE21 H 28.728 38.387 27.338 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 17 . 2408 . 1 1 8 GLN HE22 H 29.918 38.234 28.666 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 17 . 2409 . 1 1 8 GLN HG2 H 26.195 36.396 29.065 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 17 . 2410 . 1 1 8 GLN HG3 H 27.234 35.904 27.684 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 17 . 2411 . 1 1 8 GLN N N 25.684 35.999 25.814 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 17 . 2412 . 1 1 8 GLN NE2 N 29.028 38.013 28.232 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 17 . 2413 . 1 1 8 GLN O O 23.391 38.751 26.487 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 17 . 2414 . 1 1 8 GLN OE1 O 28.464 37.048 30.102 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 18 . 2415 . 1 1 1 . C C 23.952 40.557 24.167 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 18 . 2416 . 1 1 1 . CA C 23.354 39.169 23.996 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 18 . 2417 . 1 1 1 . CB C 23.031 38.700 22.584 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 18 . 2418 . 1 1 1 . CD C 21.540 39.332 20.598 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 18 . 2419 . 1 1 1 . CG C 22.062 39.715 21.976 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 18 . 2420 . 1 1 1 . CZ C 22.456 39.591 18.294 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 18 . 2421 . 1 1 1 . H1 H 24.523 37.386 24.088 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 18 . 2422 . 1 1 1 . HA H 22.367 39.284 24.440 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 18 . 2423 . 1 1 1 . HB2 H 22.656 37.674 22.523 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 18 . 2424 . 1 1 1 . HB3 H 23.947 38.722 21.978 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 18 . 2425 . 1 1 1 . HD2 H 20.770 40.050 20.298 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 18 . 2426 . 1 1 1 . HD3 H 21.042 38.362 20.509 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 18 . 2427 . 1 1 1 . HE H 23.563 39.487 19.890 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 18 . 2428 . 1 1 1 . HG2 H 22.510 40.702 21.904 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 18 . 2429 . 1 1 1 . HG3 H 21.129 39.853 22.516 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 18 . 2430 . 1 1 1 . HH11 H 24.357 39.484 17.614 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 18 . 2431 . 1 1 1 . HH12 H 23.157 40.008 16.433 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 18 . 2432 . 1 1 1 . HH21 H 20.450 39.628 18.216 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 18 . 2433 . 1 1 1 . HH22 H 21.336 39.828 16.671 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 18 . 2434 . 1 1 1 . N N 23.982 38.041 24.646 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 18 . 2435 . 1 1 1 . NE N 22.603 39.349 19.600 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 18 . 2436 . 1 1 1 . NH1 N 23.416 39.759 17.369 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 18 . 2437 . 1 1 1 . NH2 N 21.280 39.807 17.676 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 18 . 2438 . 1 1 1 . O O 23.206 41.523 24.058 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 18 . 2439 . 1 1 2 GLN C C 27.130 42.126 24.479 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 18 . 2440 . 1 1 2 GLN CA C 25.795 41.867 25.160 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 18 . 2441 . 1 1 2 GLN CB C 25.856 41.733 26.684 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 18 . 2442 . 1 1 2 GLN CD C 23.350 42.545 27.121 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 18 . 2443 . 1 1 2 GLN CG C 24.532 41.660 27.446 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 18 . 2444 . 1 1 2 GLN H H 25.717 39.796 24.660 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 18 . 2445 . 1 1 2 GLN HA H 25.102 42.666 24.924 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 18 . 2446 . 1 1 2 GLN HB2 H 26.264 40.742 26.919 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 18 . 2447 . 1 1 2 GLN HB3 H 26.485 42.509 27.090 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 18 . 2448 . 1 1 2 GLN HE21 H 21.841 41.210 27.633 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 18 . 2449 . 1 1 2 GLN HE22 H 21.441 42.894 27.357 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 18 . 2450 . 1 1 2 GLN HG2 H 24.082 40.667 27.368 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 18 . 2451 . 1 1 2 GLN HG3 H 24.785 41.844 28.495 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 18 . 2452 . 1 1 2 GLN N N 25.226 40.672 24.566 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 18 . 2453 . 1 1 2 GLN NE2 N 22.084 42.126 27.279 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 18 . 2454 . 1 1 2 GLN O O 27.973 41.236 24.419 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 18 . 2455 . 1 1 2 GLN OE1 O 23.535 43.723 26.798 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 18 . 2456 . 1 1 3 DPR C C 29.690 43.122 22.821 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 18 . 2457 . 1 1 3 DPR CA C 28.828 43.818 23.852 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 18 . 2458 . 1 1 3 DPR CB C 28.726 45.302 23.516 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 18 . 2459 . 1 1 3 DPR CD C 26.615 44.518 24.264 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 18 . 2460 . 1 1 3 DPR CG C 27.536 45.727 24.373 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 18 . 2461 . 1 1 3 DPR HA H 29.383 43.656 24.778 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 18 . 2462 . 1 1 3 DPR HB2 H 28.588 45.488 22.459 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 18 . 2463 . 1 1 3 DPR HB3 H 29.643 45.813 23.806 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 18 . 2464 . 1 1 3 DPR HD2 H 25.852 44.548 23.491 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 18 . 2465 . 1 1 3 DPR HD3 H 26.001 44.401 25.161 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 18 . 2466 . 1 1 3 DPR HG2 H 27.107 46.632 23.928 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 18 . 2467 . 1 1 3 DPR HG3 H 27.780 46.024 25.388 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 18 . 2468 . 1 1 3 DPR N N 27.469 43.359 24.082 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 18 . 2469 . 1 1 3 DPR O O 30.919 43.200 22.855 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 18 . 2470 . 1 1 4 . C C 30.205 40.138 21.690 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 18 . 2471 . 1 1 4 . CA C 29.837 41.469 21.047 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 18 . 2472 . 1 1 4 . CB C 29.095 41.370 19.715 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 18 . 2473 . 1 1 4 . CD C 28.763 43.866 19.372 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 18 . 2474 . 1 1 4 . CG C 29.328 42.569 18.810 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 18 . 2475 . 1 1 4 . H H 28.088 42.248 22.044 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 18 . 2476 . 1 1 4 . HA H 30.818 41.886 20.831 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 18 . 2477 . 1 1 4 . HB2 H 28.008 41.335 19.841 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 18 . 2478 . 1 1 4 . HB3 H 29.505 40.467 19.260 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 18 . 2479 . 1 1 4 . HE21 H 26.841 43.439 19.012 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 18 . 2480 . 1 1 4 . HE22 H 27.117 44.910 19.938 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 18 . 2481 . 1 1 4 . HG2 H 28.799 42.426 17.874 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 18 . 2482 . 1 1 4 . HG3 H 30.409 42.726 18.722 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 18 . 2483 . 1 1 4 . N N 29.086 42.375 21.893 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 18 . 2484 . 1 1 4 . NE2 N 27.465 44.163 19.357 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 18 . 2485 . 1 1 4 . O O 30.911 39.425 20.985 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 18 . 2486 . 1 1 4 . OE1 O 29.501 44.708 19.878 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 18 . 2487 . 1 1 5 ARG C C 28.658 37.668 23.470 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 18 . 2488 . 1 1 5 ARG CA C 29.843 38.601 23.646 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 18 . 2489 . 1 1 5 ARG CB C 30.035 38.863 25.139 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 18 . 2490 . 1 1 5 ARG CD C 31.486 39.684 27.080 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 18 . 2491 . 1 1 5 ARG CG C 31.349 39.507 25.570 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 18 . 2492 . 1 1 5 ARG CZ C 30.091 41.729 27.635 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 18 . 2493 . 1 1 5 ARG H H 29.010 40.477 23.261 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 18 . 2494 . 1 1 5 ARG HA H 30.717 38.040 23.314 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 18 . 2495 . 1 1 5 ARG HB2 H 29.138 39.373 25.482 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 18 . 2496 . 1 1 5 ARG HB3 H 30.024 37.920 25.673 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 18 . 2497 . 1 1 5 ARG HD2 H 31.506 38.660 27.450 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 18 . 2498 . 1 1 5 ARG HD3 H 32.349 40.325 27.270 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 18 . 2499 . 1 1 5 ARG HE H 29.608 39.940 28.137 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 18 . 2500 . 1 1 5 ARG HG2 H 32.123 38.754 25.435 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 18 . 2501 . 1 1 5 ARG HG3 H 31.474 40.469 25.081 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 18 . 2502 . 1 1 5 ARG HH11 H 28.210 41.456 28.335 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 18 . 2503 . 1 1 5 ARG HH12 H 28.643 43.128 27.942 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 18 . 2504 . 1 1 5 ARG HH21 H 31.798 42.446 26.787 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 18 . 2505 . 1 1 5 ARG HH22 H 30.431 43.580 26.948 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 18 . 2506 . 1 1 5 ARG N N 29.667 39.810 22.862 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 18 . 2507 . 1 1 5 ARG NE N 30.369 40.416 27.688 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 18 . 2508 . 1 1 5 ARG NH1 N 28.872 42.143 27.997 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 18 . 2509 . 1 1 5 ARG NH2 N 30.858 42.672 27.082 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 18 . 2510 . 1 1 5 ARG O O 27.772 37.542 24.307 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 18 . 2511 . 1 1 6 . C C 26.566 35.587 22.885 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 18 . 2512 . 1 1 6 . CA C 27.574 36.054 21.839 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 18 . 2513 . 1 1 6 . CB C 26.917 36.836 20.710 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 18 . 2514 . 1 1 6 . CD C 25.871 38.923 19.770 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 18 . 2515 . 1 1 6 . CG C 26.706 38.331 20.893 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 18 . 2516 . 1 1 6 . H H 29.511 36.855 21.899 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 18 . 2517 . 1 1 6 . HA H 28.034 35.200 21.355 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 18 . 2518 . 1 1 6 . HB2 H 26.036 36.289 20.363 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 18 . 2519 . 1 1 6 . HB3 H 27.592 36.798 19.852 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 18 . 2520 . 1 1 6 . HG2 H 27.603 38.956 20.903 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 18 . 2521 . 1 1 6 . HG3 H 26.199 38.544 21.838 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 18 . 2522 . 1 1 6 . N N 28.663 36.799 22.448 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 18 . 2523 . 1 1 6 . O O 25.447 36.089 22.988 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 18 . 2524 . 1 1 6 . OE1 O 25.359 40.053 19.902 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 18 . 2525 . 1 1 6 . OE2 O 25.679 38.316 18.695 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 18 . 2526 . 1 1 7 PRO C C 25.082 34.587 25.574 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 18 . 2527 . 1 1 7 PRO CA C 25.852 33.857 24.484 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 18 . 2528 . 1 1 7 PRO CB C 26.560 32.676 25.143 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 18 . 2529 . 1 1 7 PRO CD C 28.156 33.981 23.930 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 18 . 2530 . 1 1 7 PRO CG C 27.881 32.554 24.396 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 18 . 2531 . 1 1 7 PRO HA H 25.100 33.478 23.796 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 18 . 2532 . 1 1 7 PRO HB2 H 26.773 32.951 26.173 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 18 . 2533 . 1 1 7 PRO HB3 H 25.987 31.765 24.977 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 18 . 2534 . 1 1 7 PRO HD2 H 28.575 34.555 24.756 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 18 . 2535 . 1 1 7 PRO HD3 H 28.788 33.933 23.045 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 18 . 2536 . 1 1 7 PRO HG2 H 28.662 32.208 25.078 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 18 . 2537 . 1 1 7 PRO HG3 H 27.764 31.892 23.537 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 18 . 2538 . 1 1 7 PRO N N 26.848 34.553 23.690 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 18 . 2539 . 1 1 7 PRO O O 24.284 33.936 26.250 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 18 . 2540 . 1 1 8 GLN C C 23.752 37.785 25.937 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 18 . 2541 . 1 1 8 GLN CA C 24.588 36.775 26.696 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 18 . 2542 . 1 1 8 GLN CB C 25.585 37.484 27.603 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 18 . 2543 . 1 1 8 GLN CD C 27.459 35.814 28.204 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 18 . 2544 . 1 1 8 GLN CG C 26.264 36.628 28.667 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 18 . 2545 . 1 1 8 GLN H H 25.869 36.376 25.144 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 18 . 2546 . 1 1 8 GLN HA H 23.876 36.194 27.284 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 18 . 2547 . 1 1 8 GLN HB2 H 26.335 37.980 26.980 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 18 . 2548 . 1 1 8 GLN HB3 H 25.060 38.284 28.131 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 18 . 2549 . 1 1 8 GLN HE21 H 28.081 37.366 27.001 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 18 . 2550 . 1 1 8 GLN HE22 H 29.150 35.946 27.222 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 18 . 2551 . 1 1 8 GLN HG2 H 26.663 37.327 29.415 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 18 . 2552 . 1 1 8 GLN HG3 H 25.527 35.941 29.073 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 18 . 2553 . 1 1 8 GLN N N 25.329 35.875 25.830 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 18 . 2554 . 1 1 8 GLN NE2 N 28.289 36.449 27.370 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 18 . 2555 . 1 1 8 GLN O O 22.960 38.488 26.565 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 18 . 2556 . 1 1 8 GLN OE1 O 27.646 34.649 28.554 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 19 . 2557 . 1 1 1 . C C 23.774 40.357 23.990 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 19 . 2558 . 1 1 1 . CA C 23.314 38.900 23.959 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 19 . 2559 . 1 1 1 . CB C 23.040 38.292 22.581 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 19 . 2560 . 1 1 1 . CD C 21.504 38.213 20.611 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 19 . 2561 . 1 1 1 . CG C 21.918 39.015 21.841 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 19 . 2562 . 1 1 1 . CZ C 22.653 37.308 18.573 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 19 . 2563 . 1 1 1 . H1 H 24.813 37.372 24.263 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 19 . 2564 . 1 1 1 . HA H 22.373 38.892 24.501 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 19 . 2565 . 1 1 1 . HB2 H 22.790 37.242 22.686 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 19 . 2566 . 1 1 1 . HB3 H 23.973 38.314 22.013 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 19 . 2567 . 1 1 1 . HD2 H 20.636 38.624 20.108 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 19 . 2568 . 1 1 1 . HD3 H 21.269 37.177 20.883 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 19 . 2569 . 1 1 1 . HE H 23.379 38.735 19.744 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 19 . 2570 . 1 1 1 . HG2 H 22.338 39.991 21.589 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 19 . 2571 . 1 1 1 . HG3 H 21.040 39.237 22.454 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 19 . 2572 . 1 1 1 . HH11 H 24.599 37.841 18.103 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 19 . 2573 . 1 1 1 . HH12 H 23.835 36.713 17.073 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 19 . 2574 . 1 1 1 . HH21 H 20.810 36.463 18.862 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 19 . 2575 . 1 1 1 . HH22 H 21.662 35.875 17.512 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 19 . 2576 . 1 1 1 . N N 24.126 37.975 24.710 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 19 . 2577 . 1 1 1 . NE N 22.590 38.111 19.646 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 19 . 2578 . 1 1 1 . NH1 N 23.738 37.405 17.803 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 19 . 2579 . 1 1 1 . NH2 N 21.703 36.376 18.389 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 19 . 2580 . 1 1 1 . O O 23.004 41.221 23.583 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 19 . 2581 . 1 1 2 GLN C C 27.024 42.156 24.453 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 19 . 2582 . 1 1 2 GLN CA C 25.532 41.980 24.691 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 19 . 2583 . 1 1 2 GLN CB C 25.179 42.494 26.089 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 19 . 2584 . 1 1 2 GLN CD C 23.063 43.737 25.562 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 19 . 2585 . 1 1 2 GLN CG C 23.725 42.729 26.485 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 19 . 2586 . 1 1 2 GLN H H 25.702 39.947 24.543 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 19 . 2587 . 1 1 2 GLN HA H 25.035 42.626 23.965 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 19 . 2588 . 1 1 2 GLN HB2 H 25.618 41.837 26.841 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 19 . 2589 . 1 1 2 GLN HB3 H 25.775 43.377 26.320 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 19 . 2590 . 1 1 2 GLN HE21 H 21.151 43.027 25.832 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 19 . 2591 . 1 1 2 GLN HE22 H 21.291 44.350 24.744 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 19 . 2592 . 1 1 2 GLN HG2 H 23.237 41.759 26.398 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 19 . 2593 . 1 1 2 GLN HG3 H 23.615 43.042 27.521 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 19 . 2594 . 1 1 2 GLN N N 24.983 40.653 24.473 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 19 . 2595 . 1 1 2 GLN NE2 N 21.727 43.732 25.404 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 19 . 2596 . 1 1 2 GLN O O 27.725 41.181 24.721 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 19 . 2597 . 1 1 2 GLN OE1 O 23.678 44.640 24.993 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 19 . 2598 . 1 1 3 DPR C C 29.844 43.028 23.280 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 19 . 2599 . 1 1 3 DPR CA C 28.903 43.768 24.226 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 19 . 2600 . 1 1 3 DPR CB C 28.867 45.295 24.186 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 19 . 2601 . 1 1 3 DPR CD C 26.730 44.437 23.609 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 19 . 2602 . 1 1 3 DPR CG C 27.689 45.575 23.261 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 19 . 2603 . 1 1 3 DPR HA H 29.204 43.613 25.266 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 19 . 2604 . 1 1 3 DPR HB2 H 29.763 45.825 23.884 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 19 . 2605 . 1 1 3 DPR HB3 H 28.620 45.720 25.161 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 19 . 2606 . 1 1 3 DPR HD2 H 26.281 44.230 22.632 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 19 . 2607 . 1 1 3 DPR HD3 H 26.025 44.783 24.357 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 19 . 2608 . 1 1 3 DPR HG2 H 27.966 45.436 22.221 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 19 . 2609 . 1 1 3 DPR HG3 H 27.300 46.583 23.421 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 19 . 2610 . 1 1 3 DPR N N 27.538 43.319 24.054 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 19 . 2611 . 1 1 3 DPR O O 31.055 43.031 23.496 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 19 . 2612 . 1 1 4 . C C 30.331 40.129 21.858 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 19 . 2613 . 1 1 4 . CA C 30.087 41.520 21.279 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 19 . 2614 . 1 1 4 . CB C 29.358 41.398 19.942 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 19 . 2615 . 1 1 4 . CD C 28.870 43.866 19.828 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 19 . 2616 . 1 1 4 . CG C 29.479 42.665 19.099 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 19 . 2617 . 1 1 4 . H H 28.405 42.437 21.986 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 19 . 2618 . 1 1 4 . HA H 31.050 42.009 21.123 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 19 . 2619 . 1 1 4 . HB2 H 28.346 41.122 20.232 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 19 . 2620 . 1 1 4 . HB3 H 29.773 40.582 19.351 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 19 . 2621 . 1 1 4 . HE21 H 26.905 43.606 19.351 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 19 . 2622 . 1 1 4 . HE22 H 27.244 44.981 20.347 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 19 . 2623 . 1 1 4 . HG2 H 28.990 42.545 18.128 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 19 . 2624 . 1 1 4 . HG3 H 30.544 42.809 18.938 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 19 . 2625 . 1 1 4 . N N 29.389 42.406 22.184 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 19 . 2626 . 1 1 4 . NE2 N 27.567 44.150 19.867 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 19 . 2627 . 1 1 4 . O O 31.238 39.434 21.404 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 19 . 2628 . 1 1 4 . OE1 O 29.599 44.666 20.405 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 19 . 2629 . 1 1 5 ARG C C 28.402 37.596 23.292 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 19 . 2630 . 1 1 5 ARG CA C 29.696 38.381 23.443 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 19 . 2631 . 1 1 5 ARG CB C 30.054 38.567 24.917 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 19 . 2632 . 1 1 5 ARG CD C 31.878 39.467 26.460 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 19 . 2633 . 1 1 5 ARG CG C 31.488 39.057 25.049 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 19 . 2634 . 1 1 5 ARG CZ C 31.524 41.732 27.483 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 19 . 2635 . 1 1 5 ARG H H 28.763 40.237 23.169 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 19 . 2636 . 1 1 5 ARG HA H 30.431 37.771 22.925 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 19 . 2637 . 1 1 5 ARG HB2 H 29.380 39.180 25.521 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 19 . 2638 . 1 1 5 ARG HB3 H 30.041 37.549 25.312 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 19 . 2639 . 1 1 5 ARG HD2 H 31.786 38.631 27.160 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 19 . 2640 . 1 1 5 ARG HD3 H 32.861 39.930 26.397 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 19 . 2641 . 1 1 5 ARG HE H 30.083 40.446 27.088 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 19 . 2642 . 1 1 5 ARG HG2 H 32.148 38.251 24.732 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 19 . 2643 . 1 1 5 ARG HG3 H 31.728 39.849 24.336 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 19 . 2644 . 1 1 5 ARG HH11 H 29.702 42.461 28.008 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 19 . 2645 . 1 1 5 ARG HH12 H 31.089 43.540 28.243 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 19 . 2646 . 1 1 5 ARG HH21 H 33.599 41.515 27.394 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 19 . 2647 . 1 1 5 ARG HH22 H 33.031 42.949 28.121 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 19 . 2648 . 1 1 5 ARG N N 29.520 39.671 22.815 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 19 . 2649 . 1 1 5 ARG NE N 31.079 40.568 26.994 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 19 . 2650 . 1 1 5 ARG NH1 N 30.675 42.698 27.883 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 19 . 2651 . 1 1 5 ARG NH2 N 32.803 42.089 27.643 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 19 . 2652 . 1 1 5 ARG O O 27.477 37.726 24.093 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 19 . 2653 . 1 1 6 . C C 26.231 35.500 22.697 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 19 . 2654 . 1 1 6 . CA C 27.186 36.116 21.692 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 19 . 2655 . 1 1 6 . CB C 26.498 36.999 20.649 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 19 . 2656 . 1 1 6 . CD C 25.868 39.203 19.684 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 19 . 2657 . 1 1 6 . CG C 26.731 38.500 20.719 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 19 . 2658 . 1 1 6 . H H 29.208 36.644 21.691 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 19 . 2659 . 1 1 6 . HA H 27.498 35.245 21.133 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 19 . 2660 . 1 1 6 . HB2 H 25.414 36.930 20.708 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 19 . 2661 . 1 1 6 . HB3 H 26.880 36.653 19.692 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 19 . 2662 . 1 1 6 . HG2 H 27.770 38.714 20.459 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 19 . 2663 . 1 1 6 . HG3 H 26.454 38.834 21.726 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 19 . 2664 . 1 1 6 . N N 28.357 36.800 22.215 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 19 . 2665 . 1 1 6 . O O 25.015 35.662 22.701 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 19 . 2666 . 1 1 6 . OE1 O 24.932 39.909 20.117 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 19 . 2667 . 1 1 6 . OE2 O 26.091 39.155 18.454 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 19 . 2668 . 1 1 7 PRO C C 25.145 34.767 25.634 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 19 . 2669 . 1 1 7 PRO CA C 25.950 33.972 24.617 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 19 . 2670 . 1 1 7 PRO CB C 26.931 32.996 25.277 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 19 . 2671 . 1 1 7 PRO CD C 28.015 34.033 23.577 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 19 . 2672 . 1 1 7 PRO CG C 27.995 32.655 24.236 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 19 . 2673 . 1 1 7 PRO HA H 25.270 33.317 24.071 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 19 . 2674 . 1 1 7 PRO HB2 H 27.375 33.443 26.160 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 19 . 2675 . 1 1 7 PRO HB3 H 26.437 32.074 25.555 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 19 . 2676 . 1 1 7 PRO HD2 H 28.739 34.682 24.072 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 19 . 2677 . 1 1 7 PRO HD3 H 28.473 33.930 22.596 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 19 . 2678 . 1 1 7 PRO HG2 H 28.950 32.327 24.656 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 19 . 2679 . 1 1 7 PRO HG3 H 27.635 31.830 23.628 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 19 . 2680 . 1 1 7 PRO N N 26.734 34.714 23.662 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 19 . 2681 . 1 1 7 PRO O O 24.107 34.300 26.103 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 19 . 2682 . 1 1 8 GLN C C 24.125 37.947 26.045 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 19 . 2683 . 1 1 8 GLN CA C 25.002 36.972 26.813 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 19 . 2684 . 1 1 8 GLN CB C 25.978 37.738 27.693 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 19 . 2685 . 1 1 8 GLN CD C 27.977 36.127 28.259 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 19 . 2686 . 1 1 8 GLN CG C 26.731 36.872 28.706 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 19 . 2687 . 1 1 8 GLN H H 26.452 36.295 25.510 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 19 . 2688 . 1 1 8 GLN HA H 24.327 36.381 27.434 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 19 . 2689 . 1 1 8 GLN HB2 H 26.693 38.350 27.132 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 19 . 2690 . 1 1 8 GLN HB3 H 25.397 38.393 28.337 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 19 . 2691 . 1 1 8 GLN HE21 H 28.762 37.891 27.731 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 19 . 2692 . 1 1 8 GLN HE22 H 29.724 36.422 27.321 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 19 . 2693 . 1 1 8 GLN HG2 H 27.142 37.426 29.552 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 19 . 2694 . 1 1 8 GLN HG3 H 26.045 36.212 29.236 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 19 . 2695 . 1 1 8 GLN N N 25.624 35.960 25.984 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 19 . 2696 . 1 1 8 GLN NE2 N 28.893 36.889 27.653 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 19 . 2697 . 1 1 8 GLN O O 23.388 38.688 26.687 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 19 . 2698 . 1 1 8 GLN OE1 O 28.125 34.910 28.394 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 1 . 20 . 2699 . 1 1 1 . C C 24.278 40.406 23.776 . . . 1.0 . . . . . . . . . . . . A . 1 DAR C . . . . . . . . . c30357_6ben 1 . 20 . 2700 . 1 1 1 . CA C 23.787 38.977 23.600 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CA . . . . . . . . . c30357_6ben 1 . 20 . 2701 . 1 1 1 . CB C 23.867 38.485 22.159 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CB . . . . . . . . . c30357_6ben 1 . 20 . 2702 . 1 1 1 . CD C 22.752 38.521 19.861 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CD . . . . . . . . . c30357_6ben 1 . 20 . 2703 . 1 1 1 . CG C 23.101 39.307 21.127 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CG . . . . . . . . . c30357_6ben 1 . 20 . 2704 . 1 1 1 . CZ C 24.563 38.783 18.203 . . . 1.0 . . . . . . . . . . . . A . 1 DAR CZ . . . . . . . . . c30357_6ben 1 . 20 . 2705 . 1 1 1 . H1 H 24.937 37.292 24.080 . . . 1.0 . . . . . . . . . . . . A . 1 DAR H1 . . . . . . . . . c30357_6ben 1 . 20 . 2706 . 1 1 1 . HA H 22.719 39.039 23.817 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HA . . . . . . . . . c30357_6ben 1 . 20 . 2707 . 1 1 1 . HB2 H 23.363 37.530 22.188 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB2 . . . . . . . . . c30357_6ben 1 . 20 . 2708 . 1 1 1 . HB3 H 24.874 38.147 21.882 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HB3 . . . . . . . . . c30357_6ben 1 . 20 . 2709 . 1 1 1 . HD2 H 22.189 39.164 19.188 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD2 . . . . . . . . . c30357_6ben 1 . 20 . 2710 . 1 1 1 . HD3 H 22.187 37.632 20.106 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HD3 . . . . . . . . . c30357_6ben 1 . 20 . 2711 . 1 1 1 . HE H 24.366 37.234 19.566 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HE . . . . . . . . . c30357_6ben 1 . 20 . 2712 . 1 1 1 . HG2 H 23.758 40.102 20.789 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG2 . . . . . . . . . c30357_6ben 1 . 20 . 2713 . 1 1 1 . HG3 H 22.239 39.792 21.602 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HG3 . . . . . . . . . c30357_6ben 1 . 20 . 2714 . 1 1 1 . HH11 H 25.981 37.355 17.742 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH11 . . . . . . . . . c30357_6ben 1 . 20 . 2715 . 1 1 1 . HH12 H 26.200 38.972 17.079 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH12 . . . . . . . . . c30357_6ben 1 . 20 . 2716 . 1 1 1 . HH21 H 23.515 40.585 18.224 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH21 . . . . . . . . . c30357_6ben 1 . 20 . 2717 . 1 1 1 . HH22 H 24.771 40.416 17.053 . . . 1.0 . . . . . . . . . . . . A . 1 DAR HH22 . . . . . . . . . c30357_6ben 1 . 20 . 2718 . 1 1 1 . N N 24.369 38.002 24.508 . . . 1.0 . . . . . . . . . . . . A . 1 DAR N . . . . . . . . . c30357_6ben 1 . 20 . 2719 . 1 1 1 . NE N 23.980 38.082 19.180 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NE . . . . . . . . . c30357_6ben 1 . 20 . 2720 . 1 1 1 . NH1 N 25.703 38.326 17.675 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH1 . . . . . . . . . c30357_6ben 1 . 20 . 2721 . 1 1 1 . NH2 N 24.175 39.982 17.748 . . . 1.0 . . . . . . . . . . . . A . 1 DAR NH2 . . . . . . . . . c30357_6ben 1 . 20 . 2722 . 1 1 1 . O O 23.621 41.300 23.238 . . . 1.0 . . . . . . . . . . . . A . 1 DAR O . . . . . . . . . c30357_6ben 1 . 20 . 2723 . 1 1 2 GLN C C 27.208 42.341 24.922 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . c30357_6ben 1 . 20 . 2724 . 1 1 2 GLN CA C 25.726 41.988 25.049 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . c30357_6ben 1 . 20 . 2725 . 1 1 2 GLN CB C 25.247 42.149 26.492 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . c30357_6ben 1 . 20 . 2726 . 1 1 2 GLN CD C 22.810 43.143 25.985 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . c30357_6ben 1 . 20 . 2727 . 1 1 2 GLN CG C 23.727 42.169 26.697 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . c30357_6ben 1 . 20 . 2728 . 1 1 2 GLN H H 25.961 39.913 24.652 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . c30357_6ben 1 . 20 . 2729 . 1 1 2 GLN HA H 25.111 42.703 24.499 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . c30357_6ben 1 . 20 . 2730 . 1 1 2 GLN HB2 H 25.614 41.297 27.054 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . c30357_6ben 1 . 20 . 2731 . 1 1 2 GLN HB3 H 25.748 43.038 26.864 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . c30357_6ben 1 . 20 . 2732 . 1 1 2 GLN HE21 H 23.981 44.675 26.470 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . c30357_6ben 1 . 20 . 2733 . 1 1 2 GLN HE22 H 22.543 45.047 25.427 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . c30357_6ben 1 . 20 . 2734 . 1 1 2 GLN HG2 H 23.423 41.155 26.435 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . c30357_6ben 1 . 20 . 2735 . 1 1 2 GLN HG3 H 23.535 42.305 27.759 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . c30357_6ben 1 . 20 . 2736 . 1 1 2 GLN N N 25.336 40.695 24.528 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . c30357_6ben 1 . 20 . 2737 . 1 1 2 GLN NE2 N 23.184 44.422 25.895 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . c30357_6ben 1 . 20 . 2738 . 1 1 2 GLN O O 28.051 41.486 25.171 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . c30357_6ben 1 . 20 . 2739 . 1 1 2 GLN OE1 O 21.826 42.804 25.342 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . c30357_6ben 1 . 20 . 2740 . 1 1 3 DPR C C 29.624 43.108 23.064 . . . 1.0 . . . . . . . . . . . . A . 3 DPR C . . . . . . . . . c30357_6ben 1 . 20 . 2741 . 1 1 3 DPR CA C 28.922 43.851 24.190 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CA . . . . . . . . . c30357_6ben 1 . 20 . 2742 . 1 1 3 DPR CB C 28.977 45.322 23.780 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CB . . . . . . . . . c30357_6ben 1 . 20 . 2743 . 1 1 3 DPR CD C 26.668 44.675 24.150 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CD . . . . . . . . . c30357_6ben 1 . 20 . 2744 . 1 1 3 DPR CG C 27.638 45.854 24.285 . . . 1.0 . . . . . . . . . . . . A . 3 DPR CG . . . . . . . . . c30357_6ben 1 . 20 . 2745 . 1 1 3 DPR HA H 29.462 43.673 25.107 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HA . . . . . . . . . c30357_6ben 1 . 20 . 2746 . 1 1 3 DPR HB2 H 28.854 45.390 22.704 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB2 . . . . . . . . . c30357_6ben 1 . 20 . 2747 . 1 1 3 DPR HB3 H 29.834 45.924 24.082 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HB3 . . . . . . . . . c30357_6ben 1 . 20 . 2748 . 1 1 3 DPR HD2 H 26.436 44.694 23.087 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD2 . . . . . . . . . c30357_6ben 1 . 20 . 2749 . 1 1 3 DPR HD3 H 25.777 44.792 24.766 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HD3 . . . . . . . . . c30357_6ben 1 . 20 . 2750 . 1 1 3 DPR HG2 H 27.359 46.706 23.661 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG2 . . . . . . . . . c30357_6ben 1 . 20 . 2751 . 1 1 3 DPR HG3 H 27.635 46.150 25.336 . . . 1.0 . . . . . . . . . . . . A . 3 DPR HG3 . . . . . . . . . c30357_6ben 1 . 20 . 2752 . 1 1 3 DPR N N 27.523 43.549 24.460 . . . 1.0 . . . . . . . . . . . . A . 3 DPR N . . . . . . . . . c30357_6ben 1 . 20 . 2753 . 1 1 3 DPR O O 30.846 42.987 23.021 . . . 1.0 . . . . . . . . . . . . A . 3 DPR O . . . . . . . . . c30357_6ben 1 . 20 . 2754 . 1 1 4 . C C 29.957 40.301 21.833 . . . 1.0 . . . . . . . . . . . . A . 4 DGN C . . . . . . . . . c30357_6ben 1 . 20 . 2755 . 1 1 4 . CA C 29.375 41.568 21.211 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CA . . . . . . . . . c30357_6ben 1 . 20 . 2756 . 1 1 4 . CB C 28.221 41.377 20.232 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CB . . . . . . . . . c30357_6ben 1 . 20 . 2757 . 1 1 4 . CD C 29.532 41.704 18.112 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CD . . . . . . . . . c30357_6ben 1 . 20 . 2758 . 1 1 4 . CG C 28.633 40.755 18.906 . . . 1.0 . . . . . . . . . . . . A . 4 DGN CG . . . . . . . . . c30357_6ben 1 . 20 . 2759 . 1 1 4 . H H 27.827 42.463 22.372 . . . 1.0 . . . . . . . . . . . . A . 4 DGN H . . . . . . . . . c30357_6ben 1 . 20 . 2760 . 1 1 4 . HA H 30.158 42.102 20.682 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HA . . . . . . . . . c30357_6ben 1 . 20 . 2761 . 1 1 4 . HB2 H 27.795 42.352 19.986 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB2 . . . . . . . . . c30357_6ben 1 . 20 . 2762 . 1 1 4 . HB3 H 27.505 40.663 20.639 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HB3 . . . . . . . . . c30357_6ben 1 . 20 . 2763 . 1 1 4 . HE21 H 28.029 42.953 17.631 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE21 . . . . . . . . . c30357_6ben 1 . 20 . 2764 . 1 1 4 . HE22 H 29.405 43.439 16.864 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HE22 . . . . . . . . . c30357_6ben 1 . 20 . 2765 . 1 1 4 . HG2 H 27.841 40.451 18.215 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG2 . . . . . . . . . c30357_6ben 1 . 20 . 2766 . 1 1 4 . HG3 H 29.236 39.882 19.154 . . . 1.0 . . . . . . . . . . . . A . 4 DGN HG3 . . . . . . . . . c30357_6ben 1 . 20 . 2767 . 1 1 4 . N N 28.826 42.435 22.237 . . . 1.0 . . . . . . . . . . . . A . 4 DGN N . . . . . . . . . c30357_6ben 1 . 20 . 2768 . 1 1 4 . NE2 N 29.009 42.759 17.487 . . . 1.0 . . . . . . . . . . . . A . 4 DGN NE2 . . . . . . . . . c30357_6ben 1 . 20 . 2769 . 1 1 4 . O O 30.987 39.815 21.360 . . . 1.0 . . . . . . . . . . . . A . 4 DGN O . . . . . . . . . c30357_6ben 1 . 20 . 2770 . 1 1 4 . OE1 O 30.725 41.419 18.065 . . . 1.0 . . . . . . . . . . . . A . 4 DGN OE1 . . . . . . . . . c30357_6ben 1 . 20 . 2771 . 1 1 5 ARG C C 28.467 37.650 23.372 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30357_6ben 1 . 20 . 2772 . 1 1 5 ARG CA C 29.707 38.528 23.479 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30357_6ben 1 . 20 . 2773 . 1 1 5 ARG CB C 30.045 38.636 24.961 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30357_6ben 1 . 20 . 2774 . 1 1 5 ARG CD C 31.913 40.435 24.789 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30357_6ben 1 . 20 . 2775 . 1 1 5 ARG CG C 31.509 39.012 25.160 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30357_6ben 1 . 20 . 2776 . 1 1 5 ARG CZ C 33.798 42.063 25.369 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30357_6ben 1 . 20 . 2777 . 1 1 5 ARG H H 28.627 40.313 23.406 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30357_6ben 1 . 20 . 2778 . 1 1 5 ARG HA H 30.578 38.108 22.978 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30357_6ben 1 . 20 . 2779 . 1 1 5 ARG HB2 H 29.320 39.271 25.472 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30357_6ben 1 . 20 . 2780 . 1 1 5 ARG HB3 H 29.974 37.612 25.339 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30357_6ben 1 . 20 . 2781 . 1 1 5 ARG HD2 H 32.210 40.491 23.737 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30357_6ben 1 . 20 . 2782 . 1 1 5 ARG HD3 H 31.105 41.170 24.799 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30357_6ben 1 . 20 . 2783 . 1 1 5 ARG HE H 33.439 40.390 26.282 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30357_6ben 1 . 20 . 2784 . 1 1 5 ARG HG2 H 31.786 38.929 26.214 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30357_6ben 1 . 20 . 2785 . 1 1 5 ARG HG3 H 32.154 38.323 24.628 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30357_6ben 1 . 20 . 2786 . 1 1 5 ARG HH11 H 34.656 41.894 27.151 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30357_6ben 1 . 20 . 2787 . 1 1 5 ARG HH12 H 35.216 43.295 26.269 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30357_6ben 1 . 20 . 2788 . 1 1 5 ARG HH21 H 32.801 42.754 23.720 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30357_6ben 1 . 20 . 2789 . 1 1 5 ARG HH22 H 33.845 43.835 24.524 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30357_6ben 1 . 20 . 2790 . 1 1 5 ARG N N 29.361 39.819 22.924 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30357_6ben 1 . 20 . 2791 . 1 1 5 ARG NE N 33.064 40.944 25.529 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30357_6ben 1 . 20 . 2792 . 1 1 5 ARG NH1 N 34.649 42.465 26.328 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30357_6ben 1 . 20 . 2793 . 1 1 5 ARG NH2 N 33.588 42.881 24.331 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30357_6ben 1 . 20 . 2794 . 1 1 5 ARG O O 27.362 38.019 23.743 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30357_6ben 1 . 20 . 2795 . 1 1 6 . C C 26.466 35.353 22.799 . . . 1.0 . . . . . . . . . . . . A . 6 DGL C . . . . . . . . . c30357_6ben 1 . 20 . 2796 . 1 1 6 . CA C 27.643 35.766 21.923 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CA . . . . . . . . . c30357_6ben 1 . 20 . 2797 . 1 1 6 . CB C 27.294 36.620 20.710 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CB . . . . . . . . . c30357_6ben 1 . 20 . 2798 . 1 1 6 . CD C 28.178 35.766 18.533 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CD . . . . . . . . . c30357_6ben 1 . 20 . 2799 . 1 1 6 . CG C 28.340 36.823 19.606 . . . 1.0 . . . . . . . . . . . . A . 6 DGL CG . . . . . . . . . c30357_6ben 1 . 20 . 2800 . 1 1 6 . H H 29.619 36.483 22.368 . . . 1.0 . . . . . . . . . . . . A . 6 DGL H . . . . . . . . . c30357_6ben 1 . 20 . 2801 . 1 1 6 . HA H 28.183 34.848 21.687 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HA . . . . . . . . . c30357_6ben 1 . 20 . 2802 . 1 1 6 . HB2 H 27.067 37.641 21.010 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB2 . . . . . . . . . c30357_6ben 1 . 20 . 2803 . 1 1 6 . HB3 H 26.389 36.154 20.329 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HB3 . . . . . . . . . c30357_6ben 1 . 20 . 2804 . 1 1 6 . HG2 H 29.325 36.737 20.063 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG2 . . . . . . . . . c30357_6ben 1 . 20 . 2805 . 1 1 6 . HG3 H 28.339 37.827 19.175 . . . 1.0 . . . . . . . . . . . . A . 6 DGL HG3 . . . . . . . . . c30357_6ben 1 . 20 . 2806 . 1 1 6 . N N 28.643 36.581 22.592 . . . 1.0 . . . . . . . . . . . . A . 6 DGL N . . . . . . . . . c30357_6ben 1 . 20 . 2807 . 1 1 6 . O O 25.353 35.776 22.499 . . . 1.0 . . . . . . . . . . . . A . 6 DGL O . . . . . . . . . c30357_6ben 1 . 20 . 2808 . 1 1 6 . OE1 O 27.689 36.131 17.440 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE1 . . . . . . . . . c30357_6ben 1 . 20 . 2809 . 1 1 6 . OE2 O 28.519 34.586 18.772 . . . 1.0 . . . . . . . . . . . . A . 6 DGL OE2 . . . . . . . . . c30357_6ben 1 . 20 . 2810 . 1 1 7 PRO C C 24.802 35.053 25.295 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30357_6ben 1 . 20 . 2811 . 1 1 7 PRO CA C 25.502 33.925 24.555 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30357_6ben 1 . 20 . 2812 . 1 1 7 PRO CB C 26.088 32.839 25.445 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30357_6ben 1 . 20 . 2813 . 1 1 7 PRO CD C 27.852 33.943 24.303 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30357_6ben 1 . 20 . 2814 . 1 1 7 PRO CG C 27.572 32.679 25.113 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30357_6ben 1 . 20 . 2815 . 1 1 7 PRO HA H 24.812 33.487 23.829 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30357_6ben 1 . 20 . 2816 . 1 1 7 PRO HB2 H 25.891 33.047 26.498 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c30357_6ben 1 . 20 . 2817 . 1 1 7 PRO HB3 H 25.525 31.931 25.238 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30357_6ben 1 . 20 . 2818 . 1 1 7 PRO HD2 H 28.292 34.693 24.957 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c30357_6ben 1 . 20 . 2819 . 1 1 7 PRO HD3 H 28.503 33.700 23.461 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30357_6ben 1 . 20 . 2820 . 1 1 7 PRO HG2 H 28.281 32.799 25.927 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c30357_6ben 1 . 20 . 2821 . 1 1 7 PRO HG3 H 27.738 31.839 24.444 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30357_6ben 1 . 20 . 2822 . 1 1 7 PRO N N 26.609 34.498 23.807 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30357_6ben 1 . 20 . 2823 . 1 1 7 PRO O O 23.574 35.142 25.291 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30357_6ben 1 . 20 . 2824 . 1 1 8 GLN C C 24.133 37.874 25.821 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c30357_6ben 1 . 20 . 2825 . 1 1 8 GLN CA C 25.008 37.006 26.712 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c30357_6ben 1 . 20 . 2826 . 1 1 8 GLN CB C 26.124 37.871 27.298 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c30357_6ben 1 . 20 . 2827 . 1 1 8 GLN CD C 27.728 36.142 28.079 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c30357_6ben 1 . 20 . 2828 . 1 1 8 GLN CG C 26.833 37.285 28.517 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c30357_6ben 1 . 20 . 2829 . 1 1 8 GLN H H 26.566 35.730 25.964 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c30357_6ben 1 . 20 . 2830 . 1 1 8 GLN HA H 24.277 36.718 27.466 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c30357_6ben 1 . 20 . 2831 . 1 1 8 GLN HB2 H 26.863 37.930 26.512 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c30357_6ben 1 . 20 . 2832 . 1 1 8 GLN HB3 H 25.808 38.863 27.621 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c30357_6ben 1 . 20 . 2833 . 1 1 8 GLN HE21 H 28.881 37.362 26.971 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c30357_6ben 1 . 20 . 2834 . 1 1 8 GLN HE22 H 29.360 35.723 26.913 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c30357_6ben 1 . 20 . 2835 . 1 1 8 GLN HG2 H 27.368 38.092 29.008 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c30357_6ben 1 . 20 . 2836 . 1 1 8 GLN HG3 H 26.095 36.915 29.231 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c30357_6ben 1 . 20 . 2837 . 1 1 8 GLN N N 25.567 35.855 26.028 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c30357_6ben 1 . 20 . 2838 . 1 1 8 GLN NE2 N 28.637 36.389 27.130 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c30357_6ben 1 . 20 . 2839 . 1 1 8 GLN O O 23.281 38.572 26.357 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c30357_6ben 1 . 20 . 2840 . 1 1 8 GLN OE1 O 27.682 34.982 28.479 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c30357_6ben 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 c30357_6ben _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 6ben.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30357_6ben 1 1 6ben.mr . . XPLOR/CNS 2 distance NOE simple 88 c30357_6ben 1 1 6ben.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30357_6ben 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 c30357_6ben _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 . . . . c30357_6ben 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HA H . . . . . 3.5 2.3 4.7 . . . . . A . 2 GLN H . . A . 2 GLN HA . . . 2 . HN . . . . . 2 . HA . . c30357_6ben 1 2 1 . . 1 1 2 2 GLN HE22 H . . . 1 1 2 2 GLN HE21 H . . . . . 2.5 1.8 3.2 . . . . . A . 2 GLN HE22 . . A . 2 GLN HE21 . . . 2 . HE22 . . . . . 2 . HE21 . . c30357_6ben 1 3 1 . . 1 1 2 2 GLN HA H . . . 1 1 5 5 ARG H H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN HA . . A . 5 ARG H . . . 2 . HA . . . . . 5 . HN . . c30357_6ben 1 4 1 OR . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN H . . A . 2 GLN HB2 . . . 2 . HN . . . . . 2 . HB# . . c30357_6ben 1 4 2 OR . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN H . . A . 2 GLN HB3 . . . 2 . HN . . . . . 2 . HB# . . c30357_6ben 1 5 1 . . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN H . . A . 2 GLN HG2 . . . 2 . HN . . . . . 2 . HG2 . . c30357_6ben 1 6 1 . . 1 1 2 2 GLN HG2 H . . . 1 1 8 8 GLN HE21 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN HG2 . . A . 8 GLN HE21 . . . 2 . HG2 . . . . . 8 . HE21 . . c30357_6ben 1 7 1 . . 1 1 2 2 GLN HE21 H . . . 1 1 2 2 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN HE21 . . A . 2 GLN HG3 . . . 2 . HE21 . . . . . 2 . HG1 . . c30357_6ben 1 8 1 . . 1 1 2 2 GLN H H . . . 1 1 2 2 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN H . . A . 2 GLN HG3 . . . 2 . HN . . . . . 2 . HG1 . . c30357_6ben 1 9 1 . . 1 1 2 2 GLN H H . . . 1 1 8 8 GLN H H . . . . . 4.5 2.9 6.1 . . . . . A . 2 GLN H . . A . 8 GLN H . . . 2 . HN . . . . . 8 . HN . . c30357_6ben 1 10 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HA H . . . . . 3.5 2.3 4.7 . . . . . A . 5 ARG H . . A . 5 ARG HA . . . 5 . HN . . . . . 5 . HA . . c30357_6ben 1 11 1 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB2 H . . . . . 3.5 2.3 4.7 . . . . . A . 5 ARG H . . A . 5 ARG HB2 . . . 5 . HN . . . . . 5 . HB# . . c30357_6ben 1 11 2 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB3 H . . . . . 3.5 2.3 4.7 . . . . . A . 5 ARG H . . A . 5 ARG HB3 . . . 5 . HN . . . . . 5 . HB# . . c30357_6ben 1 12 1 OR . 1 1 8 8 GLN HE21 H . . . 1 1 5 5 ARG HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN HE21 . . A . 5 ARG HB2 . . . 8 . HE21 . . . . . 5 . HB# . . c30357_6ben 1 12 2 OR . 1 1 8 8 GLN HE21 H . . . 1 1 5 5 ARG HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN HE21 . . A . 5 ARG HB3 . . . 8 . HE21 . . . . . 5 . HB# . . c30357_6ben 1 13 1 OR . 1 1 8 8 GLN H H . . . 1 1 5 5 ARG HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 5 ARG HB2 . . . 8 . HN . . . . . 5 . HB# . . c30357_6ben 1 13 2 OR . 1 1 8 8 GLN H H . . . 1 1 5 5 ARG HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 5 ARG HB3 . . . 8 . HN . . . . . 5 . HB# . . c30357_6ben 1 14 1 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 5 ARG H . . A . 5 ARG HD2 . . . 5 . HN . . . . . 5 . HD# . . c30357_6ben 1 14 2 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HD3 H . . . . . 4.5 2.9 6.1 . . . . . A . 5 ARG H . . A . 5 ARG HD3 . . . 5 . HN . . . . . 5 . HD# . . c30357_6ben 1 15 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HE H . . . . . 4.5 2.9 6.1 . . . . . A . 5 ARG H . . A . 5 ARG HE . . . 5 . HN . . . . . 5 . HE . . c30357_6ben 1 16 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 5 ARG H . . A . 5 ARG HG2 . . . 5 . HN . . . . . 5 . HG2 . . c30357_6ben 1 17 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 5 ARG H . . A . 5 ARG HG3 . . . 5 . HN . . . . . 5 . HG1 . . c30357_6ben 1 18 1 . . 1 1 8 8 GLN HE21 H . . . 1 1 5 5 ARG HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN HE21 . . A . 5 ARG HG3 . . . 8 . HE21 . . . . . 5 . HG1 . . c30357_6ben 1 19 1 OR . 1 1 7 7 PRO HD2 H . . . 1 1 7 7 PRO HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 7 PRO HD2 . . A . 7 PRO HG2 . . . 7 . HD# . . . . . 7 . HG# . . c30357_6ben 1 19 2 OR . 1 1 7 7 PRO HD3 H . . . 1 1 7 7 PRO HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 7 PRO HD3 . . A . 7 PRO HG2 . . . 7 . HD# . . . . . 7 . HG# . . c30357_6ben 1 19 3 OR . 1 1 7 7 PRO HG3 H . . . 1 1 7 7 PRO HD2 H . . . . . 3.5 2.3 4.7 . . . . . A . 7 PRO HG3 . . A . 7 PRO HD2 . . . 7 . HG# . . . . . 7 . HD# . . c30357_6ben 1 19 4 OR . 1 1 7 7 PRO HD3 H . . . 1 1 7 7 PRO HG3 H . . . . . 3.5 2.3 4.7 . . . . . A . 7 PRO HD3 . . A . 7 PRO HG3 . . . 7 . HD# . . . . . 7 . HG# . . c30357_6ben 1 20 1 . . 1 1 8 8 GLN HE21 H . . . 1 1 7 7 PRO HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN HE21 . . A . 7 PRO HB2 . . . 8 . HE21 . . . . . 7 . HB2 . . c30357_6ben 1 21 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 PRO HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 7 PRO HB2 . . . 8 . HN . . . . . 7 . HB2 . . c30357_6ben 1 22 1 OR . 1 1 7 7 PRO HA H . . . 1 1 7 7 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 PRO HA . . A . 7 PRO HD2 . . . 7 . HA . . . . . 7 . HD# . . c30357_6ben 1 22 2 OR . 1 1 7 7 PRO HD3 H . . . 1 1 7 7 PRO HA H . . . . . 4.5 2.9 6.1 . . . . . A . 7 PRO HD3 . . A . 7 PRO HA . . . 7 . HD# . . . . . 7 . HA . . c30357_6ben 1 23 1 OR . 1 1 7 7 PRO HB2 H . . . 1 1 7 7 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 PRO HB2 . . A . 7 PRO HD2 . . . 7 . HB2 . . . . . 7 . HD# . . c30357_6ben 1 23 2 OR . 1 1 7 7 PRO HD3 H . . . 1 1 7 7 PRO HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 PRO HD3 . . A . 7 PRO HB2 . . . 7 . HD# . . . . . 7 . HB2 . . c30357_6ben 1 24 1 OR . 1 1 7 7 PRO HB3 H . . . 1 1 7 7 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 PRO HB3 . . A . 7 PRO HD2 . . . 7 . HB1 . . . . . 7 . HD# . . c30357_6ben 1 24 2 OR . 1 1 7 7 PRO HD3 H . . . 1 1 7 7 PRO HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 PRO HD3 . . A . 7 PRO HB3 . . . 7 . HD# . . . . . 7 . HB1 . . c30357_6ben 1 25 1 OR . 1 1 8 8 GLN H H . . . 1 1 7 7 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 7 PRO HD2 . . . 8 . HN . . . . . 7 . HD# . . c30357_6ben 1 25 2 OR . 1 1 8 8 GLN H H . . . 1 1 7 7 PRO HD3 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 7 PRO HD3 . . . 8 . HN . . . . . 7 . HD# . . c30357_6ben 1 26 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HA H . . . . . 3.5 2.3 4.7 . . . . . A . 8 GLN H . . A . 8 GLN HA . . . 8 . HN . . . . . 8 . HA . . c30357_6ben 1 27 1 . . 1 1 8 8 GLN HE21 H . . . 1 1 8 8 GLN HA H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN HE21 . . A . 8 GLN HA . . . 8 . HE21 . . . . . 8 . HA . . c30357_6ben 1 28 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 8 GLN HB2 . . . 8 . HN . . . . . 8 . HB2 . . c30357_6ben 1 29 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 8 GLN HB3 . . . 8 . HN . . . . . 8 . HB1 . . c30357_6ben 1 30 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HE21 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 8 GLN HE21 . . . 8 . HN . . . . . 8 . HE21 . . c30357_6ben 1 31 1 . . 1 1 8 8 GLN HE21 H . . . 1 1 8 8 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN HE21 . . A . 8 GLN HG2 . . . 8 . HE21 . . . . . 8 . HG2 . . c30357_6ben 1 32 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 8 GLN HG2 . . . 8 . HN . . . . . 8 . HG2 . . c30357_6ben 1 33 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 8 GLN H . . A . 8 GLN HG3 . . . 8 . HN . . . . . 8 . HG1 . . c30357_6ben 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 '# Restraints file 1: dsym_noe.tbl' 1 1 1 33 c30357_6ben 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; -------------------------------------------------------------------------! NOE Table for D_Symmetric Hug peptide ! Updated 111516 mds D_Symmetric Hug, 8mer arg GLN pro gln ARG glu PRO GLN Upper case L-Amino Acid Lower case D-Amino Acid ! NOE binning !! strong 2.5 0.7 0.7 medium 3.5 1.2 1.2 weak 4.5 1.6 1.6 very weak 5.0 2.0 2.0 TOTAL NOES = 88 long range (j-i >6) = 5 short range (2 > j-i < 5) = 14 sequential (i to j) = 23 intraresidue (i to i) = 46 ------------------------------------------------------------------------! *** Bacbone NOE***! HN-HA HN-HN HA-HA arg 1 ; 2 1 30 8 c30357_6ben 1 2 'GLN 2' 46 1 46 8 c30357_6ben 1 3 'pro 3' 60 1 60 8 c30357_6ben 1 4 ; gln 4 assign ( resid 4 and name HE22 ) ( resid 4 and name HE21 ) 3.5 1.2 1.2 ; 72 1 73 75 c30357_6ben 1 5 'ARG 5' 83 1 83 8 c30357_6ben 1 6 'glu 6' 100 1 100 8 c30357_6ben 1 7 'PRO 7' 116 1 116 8 c30357_6ben 1 8 'GLN 8' 128 1 128 8 c30357_6ben 1 9 'assign ( resid 8 and name HE22 ) ( resid 8 and name HE21 ) 3.5 1.2 1.2' 130 1 130 75 c30357_6ben 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) ' .1.HA' (nmrStar names),' .1.HN' (nmrStar names) not linked" c30357_6ben 1 2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" c30357_6ben 1 3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .1.HN' (nmrStar names),' .1.HB#' (nmrStar names) not linked" c30357_6ben 1 4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30357_6ben 1 5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.HA' (nmrStar names) not linked" c30357_6ben 1 6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.HB#' (nmrStar names),' .4.HE21' (nmrStar names) not linked" c30357_6ben 1 7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .1.HN' (nmrStar names),' .1.HD#' (nmrStar names) not linked" c30357_6ben 1 8 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .1.HN' (nmrStar names),' .1.HE' (nmrStar names) not linked" c30357_6ben 1 9 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .1.HN' (nmrStar names),' .1.HG2' (nmrStar names) not linked" c30357_6ben 1 10 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .1.HG2' (nmrStar names) not linked" c30357_6ben 1 11 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .1.HN' (nmrStar names),' .1.HG1' (nmrStar names) not linked" c30357_6ben 1 12 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HG1' (nmrStar names) not linked" c30357_6ben 1 13 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30357_6ben 1 14 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30357_6ben 1 15 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30357_6ben 1 16 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .3.HD#' (nmrStar names),' .3.HG#' (nmrStar names) not linked" c30357_6ben 1 17 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .4.HE21' (nmrStar names) not linked" c30357_6ben 1 18 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30357_6ben 1 19 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .3.HD#' (nmrStar names) not linked" c30357_6ben 1 20 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .3.HD#' (nmrStar names) not linked" c30357_6ben 1 21 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .3.HD#' (nmrStar names) not linked" c30357_6ben 1 22 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .3.HD#' (nmrStar names) not linked" c30357_6ben 1 23 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .3.HD#' (nmrStar names),' .3.HB1' (nmrStar names) not linked" c30357_6ben 1 24 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .4.HN' (nmrStar names),' .3.HD#' (nmrStar names) not linked" c30357_6ben 1 25 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .3.HD#' (nmrStar names) not linked" c30357_6ben 1 26 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .4.HE21' (nmrStar names),' .4.HA' (nmrStar names) not linked" c30357_6ben 1 27 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HA' (nmrStar names) not linked" c30357_6ben 1 28 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB#' (nmrStar names) not linked" c30357_6ben 1 29 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .4.HE21' (nmrStar names),' .4.HN' (nmrStar names) not linked" c30357_6ben 1 30 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .4.HE21' (nmrStar names),' .4.HG2' (nmrStar names) not linked" c30357_6ben 1 31 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HG2' (nmrStar names) not linked" c30357_6ben 1 32 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .4.HE21' (nmrStar names),' .4.HG1' (nmrStar names) not linked" c30357_6ben 1 33 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HG1' (nmrStar names) not linked" c30357_6ben 1 34 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30357_6ben 1 35 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30357_6ben 1 36 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30357_6ben 1 37 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30357_6ben 1 38 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30357_6ben 1 39 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30357_6ben 1 40 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HA' (nmrStar names) not linked" c30357_6ben 1 41 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .1.HN' (nmrStar names),' .6.HA' (nmrStar names) not linked" c30357_6ben 1 42 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30357_6ben 1 43 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30357_6ben 1 44 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30357_6ben 1 45 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HB#' (nmrStar names) not linked" c30357_6ben 1 46 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .1.HE' (nmrStar names),' .6.HG2' (nmrStar names) not linked" c30357_6ben 1 47 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .6.HG2' (nmrStar names) not linked" c30357_6ben 1 48 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HG2' (nmrStar names) not linked" c30357_6ben 1 49 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .1.HE' (nmrStar names),' .6.HG1' (nmrStar names) not linked" c30357_6ben 1 50 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HG1' (nmrStar names) not linked" c30357_6ben 1 51 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .6.HG1' (nmrStar names) not linked" c30357_6ben 1 52 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30357_6ben 1 53 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30357_6ben 1 54 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30357_6ben 1 55 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30357_6ben 1 56 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30357_6ben 1 57 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30357_6ben 1 58 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30357_6ben 1 59 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30357_6ben 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c30357_6ben _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 DE NOVO PROTEIN 25-OCT-17 6BEN *TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN8.2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: (DAR)Q(DPR)(DGN)R(DGL)PQ; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS MACROCYCLE, DE NOVO, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,B.BAKER *REVDAT 1 27-DEC-17 6BEN 0' save_