NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
589257 |
2n0i   |
26538 | cing | 3-converted-DOCR | STAR | entry | full | 28 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2n0i
# This DOCR archive file contains, for PDB entry <2n0i>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2n0i
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2n0i"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2n0i"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2n0i "Master copy" rr_2n0i
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2n0i
_Assembly.ID 1
_Assembly.Name 2n0i
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1345.5066
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 "di sulfide 11mer peptide" 1 $di_sulfide_11mer_peptide A . no . . . . . . rr_2n0i 1
stop_
save_
save_di_sulfide_11mer_peptide
_Entity.Sf_category entity
_Entity.Sf_framecode di_sulfide_11mer_peptide
_Entity.Entry_ID rr_2n0i
_Entity.ID 1
_Entity.Name di_sulfide_11mer_peptide
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code HXEGXFTSDFXX
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 12
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1345.5066
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 . HIS . rr_2n0i 1
2 . . . rr_2n0i 1
3 . GLU . rr_2n0i 1
4 . GLY . rr_2n0i 1
5 . . . rr_2n0i 1
6 . PHE . rr_2n0i 1
7 . THR . rr_2n0i 1
8 . SER . rr_2n0i 1
9 . ASP . rr_2n0i 1
10 . PHE . rr_2n0i 1
11 . . . rr_2n0i 1
12 . NH2 . rr_2n0i 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
. HIS 1 1 rr_2n0i 1
. . 2 2 rr_2n0i 1
. GLU 3 3 rr_2n0i 1
. GLY 4 4 rr_2n0i 1
. . 5 5 rr_2n0i 1
. PHE 6 6 rr_2n0i 1
. THR 7 7 rr_2n0i 1
. SER 8 8 rr_2n0i 1
. ASP 9 9 rr_2n0i 1
. PHE 10 10 rr_2n0i 1
. . 11 11 rr_2n0i 1
. NH2 12 12 rr_2n0i 1
stop_
save_
save_chem_comp_KCY
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_KCY
_Chem_comp.Entry_ID rr_2n0i
_Chem_comp.ID 1
_Chem_comp.Name Kcy
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H6 N O S"
_Chem_comp.Formula_weight 116.1575
save_
save_chem_comp_HCS
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_HCS
_Chem_comp.Entry_ID rr_2n0i
_Chem_comp.ID 2
_Chem_comp.Name Hcs
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H6 N O S"
_Chem_comp.Formula_weight 116.1575
save_
save_chem_comp_PH8
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_PH8
_Chem_comp.Entry_ID rr_2n0i
_Chem_comp.ID 3
_Chem_comp.Name Ph8
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C11 H13 N O"
_Chem_comp.Formula_weight 175.2298
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_2n0i
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2n0i
_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 15
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_2n0i
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_2n0i 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_2n0i 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 HIS C C 3.463 19.592 5.584 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 1 . 2 . 1 1 1 HIS CA C 4.098 20.312 6.773 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 1 . 3 . 1 1 1 HIS CB C 3.713 21.795 6.761 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 1 . 4 . 1 1 1 HIS CD2 C 1.483 22.704 5.793 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 1 . 5 . 1 1 1 HIS CE1 C 0.122 21.910 7.316 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 1 . 6 . 1 1 1 HIS CG C 2.234 22.032 6.698 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 1 . 7 . 1 1 1 HIS H1 H 5.870 19.207 6.755 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 1 . 8 . 1 1 1 HIS H2 H 5.992 20.682 7.572 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 1 . 9 . 1 1 1 HIS H3 H 5.956 20.654 5.880 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 1 . 10 . 1 1 1 HIS HA H 3.742 19.861 7.688 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 1 . 11 . 1 1 1 HIS HB2 H 4.086 22.265 7.659 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 1 . 12 . 1 1 1 HIS HB3 H 4.163 22.269 5.901 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 1 . 13 . 1 1 1 HIS HD1 H 1.588 21.017 8.429 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 1 . 14 . 1 1 1 HIS HD2 H 1.847 23.219 4.914 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 1 . 15 . 1 1 1 HIS HE1 H -0.774 21.672 7.871 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 1 . 16 . 1 1 1 HIS HE2 H -0.595 23.004 5.739 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 1 . 17 . 1 1 1 HIS N N 5.582 20.207 6.743 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 1 . 18 . 1 1 1 HIS ND1 N 1.350 21.548 7.641 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 1 . 19 . 1 1 1 HIS NE2 N 0.176 22.612 6.201 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 1 . 20 . 1 1 1 HIS O O 3.881 19.782 4.439 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 1 . 21 . 1 1 2 . C C 0.736 18.924 4.096 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 1 . 22 . 1 1 2 . CA C 1.712 18.017 4.845 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 1 . 23 . 1 1 2 . CB C 2.682 17.352 3.860 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 1 . 24 . 1 1 2 . CG C 2.232 15.975 3.401 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 1 . 25 . 1 1 2 . HA H 1.140 17.253 5.345 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 1 . 26 . 1 1 2 . HB H 2.782 17.983 2.989 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 1 . 27 . 1 1 2 . HBA H 3.647 17.252 4.334 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 1 . 28 . 1 1 2 . HG H 1.173 15.874 3.579 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 1 . 29 . 1 1 2 . HGA H 2.765 15.227 3.969 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 1 . 30 . 1 1 2 . HN H 2.161 18.685 6.805 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 1 . 31 . 1 1 2 . N N 2.441 18.775 5.871 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 1 . 32 . 1 1 2 . O O -0.465 18.646 4.052 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 1 . 33 . 1 1 2 . SD S 2.551 15.674 1.632 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 1 . 34 . 1 1 3 GLU C C -0.354 20.319 1.668 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 1 . 35 . 1 1 3 GLU CA C 0.428 20.975 2.804 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 1 . 36 . 1 1 3 GLU CB C 1.291 22.125 2.266 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 1 . 37 . 1 1 3 GLU CD C 3.326 22.824 0.934 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 1 . 38 . 1 1 3 GLU CG C 2.431 21.676 1.361 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 1 . 39 . 1 1 3 GLU H H 2.214 20.183 3.612 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 1 . 40 . 1 1 3 GLU HA H -0.283 21.380 3.509 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 1 . 41 . 1 1 3 GLU HB2 H 0.660 22.797 1.703 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 1 . 42 . 1 1 3 GLU HB3 H 1.715 22.661 3.102 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 1 . 43 . 1 1 3 GLU HG2 H 3.031 20.951 1.891 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 1 . 44 . 1 1 3 GLU HG3 H 2.012 21.218 0.478 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 1 . 45 . 1 1 3 GLU N N 1.254 20.014 3.528 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 1 . 46 . 1 1 3 GLU O O 0.207 19.948 0.634 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 1 . 47 . 1 1 3 GLU OE1 O 3.958 23.447 1.815 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 1 . 48 . 1 1 3 GLU OE2 O 3.396 23.102 -0.282 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 1 . 49 . 1 1 4 GLY C C -2.299 18.111 0.699 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 1 . 50 . 1 1 4 GLY CA C -2.534 19.596 0.882 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 1 . 51 . 1 1 4 GLY H H -2.038 20.505 2.728 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 1 . 52 . 1 1 4 GLY HA2 H -3.560 19.750 1.182 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 1 . 53 . 1 1 4 GLY HA3 H -2.372 20.092 -0.062 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 1 . 54 . 1 1 4 GLY N N -1.661 20.191 1.879 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 1 . 55 . 1 1 4 GLY O O -2.255 17.621 -0.431 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 1 . 56 . 1 1 5 . C C -2.405 15.284 3.057 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 1 . 57 . 1 1 5 . CA C -1.925 15.951 1.763 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 1 . 58 . 1 1 5 . CB C -0.437 15.672 1.521 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 1 . 59 . 1 1 5 . CG C -0.103 14.207 1.276 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 1 . 60 . 1 1 5 . H H -2.195 17.846 2.682 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 1 . 61 . 1 1 5 . HB2 H -0.116 16.237 0.659 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 1 . 62 . 1 1 5 . HB3 H 0.117 16.006 2.381 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 1 . 63 . 1 1 5 . HCA H -2.498 15.555 0.940 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 1 . 64 . 1 1 5 . HG2 H -0.558 13.608 2.047 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 1 . 65 . 1 1 5 . HG3 H -0.497 13.915 0.313 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 1 . 66 . 1 1 5 . N N -2.152 17.394 1.810 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 1 . 67 . 1 1 5 . O O -1.786 14.344 3.562 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 1 . 68 . 1 1 5 . SD S 1.691 13.866 1.283 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 1 . 69 . 1 1 6 PHE C C -4.702 13.826 4.548 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 1 . 70 . 1 1 6 PHE CA C -4.113 15.216 4.803 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 1 . 71 . 1 1 6 PHE CB C -5.172 16.165 5.388 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 1 . 72 . 1 1 6 PHE CD1 C -7.272 15.597 4.122 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 1 . 73 . 1 1 6 PHE CD2 C -6.369 17.792 3.897 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 1 . 74 . 1 1 6 PHE CE1 C -8.305 15.932 3.266 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 1 . 75 . 1 1 6 PHE CE2 C -7.400 18.132 3.043 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 1 . 76 . 1 1 6 PHE CG C -6.292 16.521 4.446 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 1 . 77 . 1 1 6 PHE CZ C -8.368 17.201 2.726 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 1 . 78 . 1 1 6 PHE H H -3.986 16.508 3.122 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 1 . 79 . 1 1 6 PHE HA H -3.310 15.114 5.520 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 1 . 80 . 1 1 6 PHE HB2 H -5.613 15.702 6.258 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 1 . 81 . 1 1 6 PHE HB3 H -4.688 17.083 5.689 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 1 . 82 . 1 1 6 PHE HD1 H -7.225 14.603 4.543 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 1 . 83 . 1 1 6 PHE HD2 H -5.610 18.521 4.141 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 1 . 84 . 1 1 6 PHE HE1 H -9.062 15.201 3.020 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 1 . 85 . 1 1 6 PHE HE2 H -7.448 19.126 2.623 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 1 . 86 . 1 1 6 PHE HZ H -9.175 17.465 2.059 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 1 . 87 . 1 1 6 PHE N N -3.531 15.769 3.579 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 1 . 88 . 1 1 6 PHE O O -4.709 12.975 5.439 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 1 . 89 . 1 1 7 THR C C -4.724 11.188 2.910 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 1 . 90 . 1 1 7 THR CA C -5.765 12.316 2.933 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 1 . 91 . 1 1 7 THR CB C -6.438 12.390 1.545 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 1 . 92 . 1 1 7 THR CG2 C -7.639 13.326 1.566 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 1 . 93 . 1 1 7 THR H H -5.140 14.321 2.656 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 1 . 94 . 1 1 7 THR HA H -6.525 12.068 3.659 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 1 . 95 . 1 1 7 THR HB H -6.781 11.400 1.280 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 1 . 96 . 1 1 7 THR HG1 H -5.376 13.782 0.625 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 1 . 97 . 1 1 7 THR HG21 H -8.156 13.229 2.510 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 1 . 98 . 1 1 7 THR HG22 H -8.310 13.067 0.761 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 1 . 99 . 1 1 7 THR HG23 H -7.304 14.345 1.442 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 1 . 100 . 1 1 7 THR N N -5.183 13.602 3.321 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 1 . 101 . 1 1 7 THR O O -5.093 10.015 2.829 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 1 . 102 . 1 1 7 THR OG1 O -5.494 12.831 0.558 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 1 . 103 . 1 1 8 SER C C -2.672 9.324 3.796 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 1 . 104 . 1 1 8 SER CA C -2.344 10.549 2.940 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 1 . 105 . 1 1 8 SER CB C -1.030 11.176 3.418 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 1 . 106 . 1 1 8 SER H H -3.193 12.494 3.020 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 1 . 107 . 1 1 8 SER HA H -2.224 10.229 1.918 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 1 . 108 . 1 1 8 SER HB2 H -0.255 10.425 3.413 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 1 . 109 . 1 1 8 SER HB3 H -0.755 11.979 2.751 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 1 . 110 . 1 1 8 SER HG H -0.608 11.179 5.332 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 1 . 111 . 1 1 8 SER N N -3.428 11.543 2.968 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 1 . 112 . 1 1 8 SER O O -2.523 8.188 3.343 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 1 . 113 . 1 1 8 SER OG O -1.155 11.693 4.732 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 1 . 114 . 1 1 9 ASP C C -4.758 7.773 5.466 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 1 . 115 . 1 1 9 ASP CA C -3.485 8.477 5.937 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 1 . 116 . 1 1 9 ASP CB C -3.677 9.009 7.364 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 1 . 117 . 1 1 9 ASP CG C -2.404 9.589 7.970 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 1 . 118 . 1 1 9 ASP H H -3.230 10.490 5.323 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 1 . 119 . 1 1 9 ASP HA H -2.676 7.764 5.934 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 1 . 120 . 1 1 9 ASP HB2 H -4.428 9.784 7.352 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 1 . 121 . 1 1 9 ASP HB3 H -4.015 8.200 7.997 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 1 . 122 . 1 1 9 ASP N N -3.126 9.562 5.025 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 1 . 123 . 1 1 9 ASP O O -4.827 6.542 5.456 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 1 . 124 . 1 1 9 ASP OD1 O -1.345 9.558 7.303 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 1 . 125 . 1 1 9 ASP OD2 O -2.468 10.073 9.119 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 1 . 126 . 1 1 10 PHE C C -6.812 7.188 3.326 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 1 . 127 . 1 1 10 PHE CA C -7.029 8.033 4.585 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 1 . 128 . 1 1 10 PHE CB C -8.008 9.183 4.307 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 1 . 129 . 1 1 10 PHE CD1 C -10.082 7.815 4.690 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 1 . 130 . 1 1 10 PHE CD2 C -9.992 9.227 2.769 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 1 . 131 . 1 1 10 PHE CE1 C -11.350 7.402 4.330 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 1 . 132 . 1 1 10 PHE CE2 C -11.260 8.818 2.405 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 1 . 133 . 1 1 10 PHE CG C -9.388 8.731 3.914 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 1 . 134 . 1 1 10 PHE CZ C -11.940 7.904 3.186 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 1 . 135 . 1 1 10 PHE H H -5.627 9.538 5.094 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 1 . 136 . 1 1 10 PHE HA H -7.437 7.402 5.361 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 1 . 137 . 1 1 10 PHE HB2 H -8.100 9.787 5.197 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 1 . 138 . 1 1 10 PHE HB3 H -7.615 9.792 3.506 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 1 . 139 . 1 1 10 PHE HD1 H -9.622 7.422 5.584 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 1 . 140 . 1 1 10 PHE HD2 H -9.461 9.941 2.157 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 1 . 141 . 1 1 10 PHE HE1 H -11.880 6.687 4.942 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 1 . 142 . 1 1 10 PHE HE2 H -11.719 9.212 1.511 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 1 . 143 . 1 1 10 PHE HZ H -12.931 7.582 2.903 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 1 . 144 . 1 1 10 PHE N N -5.756 8.567 5.069 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 1 . 145 . 1 1 10 PHE O O -7.424 7.427 2.282 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 1 . 146 . 1 1 11 . C C -4.770 4.119 2.794 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 1 . 147 . 1 1 11 . CA C -5.599 5.316 2.321 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 1 . 148 . 1 1 11 . CB C -4.832 6.089 1.239 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 1 . 149 . 1 1 11 . CD1 C -4.984 2.455 -1.273 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 1 . 150 . 1 1 11 . CD2 C -7.044 2.727 -0.102 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 1 . 151 . 1 1 11 . CE1 C -5.151 1.083 -1.255 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 1 . 152 . 1 1 11 . CE2 C -7.216 1.356 -0.081 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 1 . 153 . 1 1 11 . CG C -5.928 3.292 -0.697 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 1 . 154 . 1 1 11 . CI C -4.492 5.262 0.006 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 1 . 155 . 1 1 11 . CJ C -5.744 4.784 -0.719 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 1 . 156 . 1 1 11 . CZ C -6.268 0.533 -0.658 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 1 . 157 . 1 1 11 . HA H -6.527 4.954 1.904 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 1 . 158 . 1 1 11 . HB H -5.430 6.931 0.924 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 1 . 159 . 1 1 11 . HBA H -3.909 6.456 1.664 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 1 . 160 . 1 1 11 . HD1 H -4.109 2.884 -1.740 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 1 . 161 . 1 1 11 . HD2 H -7.787 3.368 0.350 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 1 . 162 . 1 1 11 . HE1 H -4.409 0.442 -1.707 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 1 . 163 . 1 1 11 . HE2 H -8.091 0.927 0.387 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 1 . 164 . 1 1 11 . HI H -3.907 5.867 -0.670 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 1 . 165 . 1 1 11 . HIA H -3.915 4.402 0.312 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 1 . 166 . 1 1 11 . HJ H -5.687 5.100 -1.750 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 1 . 167 . 1 1 11 . HJA H -6.608 5.236 -0.254 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 1 . 168 . 1 1 11 . HN H -5.466 6.072 4.296 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 1 . 169 . 1 1 11 . HZ H -6.400 -0.539 -0.643 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 1 . 170 . 1 1 11 . N N -5.922 6.202 3.438 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 1 . 171 . 1 1 11 . O O -5.041 2.978 2.419 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 1 . 172 . 1 1 12 NH2 HN1 H -3.592 5.310 3.877 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 1 . 173 . 1 1 12 NH2 HN2 H -3.209 3.625 3.928 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 1 . 174 . 1 1 12 NH2 N N -3.754 4.378 3.616 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 2 . 175 . 1 1 1 HIS C C 3.206 18.046 6.171 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 2 . 176 . 1 1 1 HIS CA C 3.933 17.964 7.526 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 2 . 177 . 1 1 1 HIS CB C 3.059 17.288 8.598 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 2 . 178 . 1 1 1 HIS CD2 C 2.112 14.871 8.528 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 2 . 179 . 1 1 1 HIS CE1 C 4.011 13.781 8.609 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 2 . 180 . 1 1 1 HIS CG C 3.107 15.789 8.579 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 2 . 181 . 1 1 1 HIS H1 H 4.926 19.796 7.359 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 2 . 182 . 1 1 1 HIS H2 H 4.723 19.271 8.954 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 2 . 183 . 1 1 1 HIS H3 H 3.408 19.905 8.101 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 2 . 184 . 1 1 1 HIS HA H 4.849 17.405 7.404 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 2 . 185 . 1 1 1 HIS HB2 H 3.387 17.614 9.573 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 2 . 186 . 1 1 1 HIS HB3 H 2.032 17.590 8.453 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 2 . 187 . 1 1 1 HIS HD1 H 5.185 15.455 8.672 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 2 . 188 . 1 1 1 HIS HD2 H 1.052 15.077 8.478 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 2 . 189 . 1 1 1 HIS HE1 H 4.738 12.983 8.632 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 2 . 190 . 1 1 1 HIS HE2 H 2.227 12.784 8.689 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 2 . 191 . 1 1 1 HIS N N 4.271 19.329 8.019 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 2 . 192 . 1 1 1 HIS ND1 N 4.283 15.073 8.629 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 2 . 193 . 1 1 1 HIS NE2 N 2.700 13.630 8.549 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 2 . 194 . 1 1 1 HIS O O 3.340 19.045 5.462 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 2 . 195 . 1 1 2 . C C 0.461 17.855 4.561 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 2 . 196 . 1 1 2 . CA C 1.689 16.941 4.556 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 2 . 197 . 1 1 2 . CB C 2.584 17.273 3.355 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 2 . 198 . 1 1 2 . CG C 3.604 16.192 3.036 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 2 . 199 . 1 1 2 . HA H 1.341 15.925 4.444 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 2 . 200 . 1 1 2 . HB H 1.962 17.414 2.485 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 2 . 201 . 1 1 2 . HBA H 3.116 18.189 3.555 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 2 . 202 . 1 1 2 . HG H 4.249 16.053 3.892 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 2 . 203 . 1 1 2 . HGA H 4.192 16.503 2.186 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 2 . 204 . 1 1 2 . HN H 2.377 16.240 6.426 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 2 . 205 . 1 1 2 . N N 2.441 16.999 5.820 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 2 . 206 . 1 1 2 . O O -0.637 17.413 4.216 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 2 . 207 . 1 1 2 . SD S 2.834 14.588 2.635 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 2 . 208 . 1 1 3 GLU C C -0.961 20.331 3.541 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 2 . 209 . 1 1 3 GLU CA C -0.470 20.071 4.961 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 2 . 210 . 1 1 3 GLU CB C -0.056 21.382 5.644 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 2 . 211 . 1 1 3 GLU CD C -2.388 22.056 6.448 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 2 . 212 . 1 1 3 GLU CG C -1.146 22.451 5.657 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 2 . 213 . 1 1 3 GLU H H 1.536 19.430 5.191 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 2 . 214 . 1 1 3 GLU HA H -1.271 19.617 5.525 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 2 . 215 . 1 1 3 GLU HB2 H 0.215 21.167 6.667 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 2 . 216 . 1 1 3 GLU HB3 H 0.806 21.783 5.133 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 2 . 217 . 1 1 3 GLU HG2 H -0.739 23.350 6.095 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 2 . 218 . 1 1 3 GLU HG3 H -1.440 22.656 4.637 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 2 . 219 . 1 1 3 GLU N N 0.642 19.125 4.938 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 2 . 220 . 1 1 3 GLU O O -0.333 21.067 2.776 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 2 . 221 . 1 1 3 GLU OE1 O -2.394 20.970 7.070 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 2 . 222 . 1 1 3 GLU OE2 O -3.357 22.844 6.452 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 2 . 223 . 1 1 4 GLY C C -2.965 18.481 1.256 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 2 . 224 . 1 1 4 GLY CA C -2.640 19.832 1.864 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 2 . 225 . 1 1 4 GLY H H -2.515 19.109 3.848 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 2 . 226 . 1 1 4 GLY HA2 H -3.545 20.420 1.923 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 2 . 227 . 1 1 4 GLY HA3 H -1.929 20.341 1.230 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 2 . 228 . 1 1 4 GLY N N -2.077 19.695 3.195 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 2 . 229 . 1 1 4 GLY O O -4.012 18.309 0.630 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 2 . 230 . 1 1 5 . C C -2.875 15.250 1.995 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 2 . 231 . 1 1 5 . CA C -2.240 16.160 0.937 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 2 . 232 . 1 1 5 . CB C -0.894 15.585 0.466 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 2 . 233 . 1 1 5 . CG C 0.195 15.601 1.532 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 2 . 234 . 1 1 5 . H H -1.252 17.724 1.972 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 2 . 235 . 1 1 5 . HB2 H -1.044 14.563 0.154 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 2 . 236 . 1 1 5 . HB3 H -0.548 16.161 -0.379 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 2 . 237 . 1 1 5 . HCA H -2.909 16.219 0.091 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 2 . 238 . 1 1 5 . HG2 H 0.348 16.617 1.861 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 2 . 239 . 1 1 5 . HG3 H -0.122 14.994 2.367 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 2 . 240 . 1 1 5 . N N -2.060 17.517 1.454 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 2 . 241 . 1 1 5 . O O -2.434 14.119 2.203 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 2 . 242 . 1 1 5 . SD S 1.791 14.957 0.932 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 2 . 243 . 1 1 6 PHE C C -5.098 13.642 3.166 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 2 . 244 . 1 1 6 PHE CA C -4.613 14.992 3.699 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 2 . 245 . 1 1 6 PHE CB C -5.799 15.796 4.246 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 2 . 246 . 1 1 6 PHE CD1 C -5.693 14.792 6.549 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 2 . 247 . 1 1 6 PHE CD2 C -7.823 14.972 5.490 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 2 . 248 . 1 1 6 PHE CE1 C -6.289 14.224 7.659 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 2 . 249 . 1 1 6 PHE CE2 C -8.424 14.405 6.598 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 2 . 250 . 1 1 6 PHE CG C -6.452 15.173 5.452 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 2 . 251 . 1 1 6 PHE CZ C -7.656 14.029 7.683 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 2 . 252 . 1 1 6 PHE H H -4.224 16.659 2.450 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 2 . 253 . 1 1 6 PHE HA H -3.912 14.815 4.501 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 2 . 254 . 1 1 6 PHE HB2 H -5.457 16.780 4.527 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 2 . 255 . 1 1 6 PHE HB3 H -6.548 15.888 3.472 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 2 . 256 . 1 1 6 PHE HD1 H -4.624 14.943 6.531 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 2 . 257 . 1 1 6 PHE HD2 H -8.424 15.263 4.643 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 2 . 258 . 1 1 6 PHE HE1 H -5.687 13.932 8.506 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 2 . 259 . 1 1 6 PHE HE2 H -9.493 14.254 6.615 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 2 . 260 . 1 1 6 PHE HZ H -8.125 13.586 8.549 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 2 . 261 . 1 1 6 PHE N N -3.916 15.753 2.661 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 2 . 262 . 1 1 6 PHE O O -5.066 12.639 3.883 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 2 . 263 . 1 1 7 THR C C -4.981 11.303 1.241 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 2 . 264 . 1 1 7 THR CA C -6.046 12.403 1.278 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 2 . 265 . 1 1 7 THR CB C -6.564 12.665 -0.158 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 2 . 266 . 1 1 7 THR CG2 C -5.483 13.282 -1.042 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 2 . 267 . 1 1 7 THR H H -5.552 14.461 1.393 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 2 . 268 . 1 1 7 THR HA H -6.876 12.051 1.870 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 2 . 269 . 1 1 7 THR HB H -7.392 13.356 -0.099 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 2 . 270 . 1 1 7 THR HG1 H -6.277 10.906 -1.019 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 2 . 271 . 1 1 7 THR HG21 H -5.926 13.617 -1.968 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 2 . 272 . 1 1 7 THR HG22 H -4.724 12.543 -1.254 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 2 . 273 . 1 1 7 THR HG23 H -5.035 14.123 -0.534 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 2 . 274 . 1 1 7 THR N N -5.549 13.626 1.908 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 2 . 275 . 1 1 7 THR O O -5.279 10.140 1.522 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 2 . 276 . 1 1 7 THR OG1 O -7.027 11.441 -0.747 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 2 . 277 . 1 1 8 SER C C -2.412 10.043 2.191 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 2 . 278 . 1 1 8 SER CA C -2.649 10.694 0.830 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 2 . 279 . 1 1 8 SER CB C -1.355 11.347 0.327 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 2 . 280 . 1 1 8 SER H H -3.558 12.611 0.690 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 2 . 281 . 1 1 8 SER HA H -2.944 9.926 0.131 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 2 . 282 . 1 1 8 SER HB2 H -0.595 10.588 0.213 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 2 . 283 . 1 1 8 SER HB3 H -1.539 11.817 -0.628 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 2 . 284 . 1 1 8 SER HG H -0.154 11.966 1.747 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 2 . 285 . 1 1 8 SER N N -3.741 11.669 0.898 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 2 . 286 . 1 1 8 SER O O -2.112 8.851 2.273 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 2 . 287 . 1 1 8 SER OG O -0.880 12.327 1.234 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 2 . 288 . 1 1 9 ASP C C -3.643 9.785 5.216 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 2 . 289 . 1 1 9 ASP CA C -2.344 10.341 4.616 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 2 . 290 . 1 1 9 ASP CB C -1.794 11.467 5.505 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 2 . 291 . 1 1 9 ASP CG C -0.470 12.040 5.011 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 2 . 292 . 1 1 9 ASP H H -2.786 11.777 3.124 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 2 . 293 . 1 1 9 ASP HA H -1.616 9.546 4.573 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 2 . 294 . 1 1 9 ASP HB2 H -2.515 12.270 5.540 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 2 . 295 . 1 1 9 ASP HB3 H -1.645 11.084 6.504 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 2 . 296 . 1 1 9 ASP N N -2.546 10.836 3.256 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 2 . 297 . 1 1 9 ASP O O -3.871 9.902 6.423 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 2 . 298 . 1 1 9 ASP OD1 O 0.083 11.523 4.014 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 2 . 299 . 1 1 9 ASP OD2 O 0.017 13.010 5.629 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 2 . 300 . 1 1 10 PHE C C -5.503 7.474 5.858 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 2 . 301 . 1 1 10 PHE CA C -5.755 8.603 4.854 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 2 . 302 . 1 1 10 PHE CB C -6.615 8.105 3.678 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 2 . 303 . 1 1 10 PHE CD1 C -6.342 5.606 3.549 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 2 . 304 . 1 1 10 PHE CD2 C -5.405 6.936 1.806 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 2 . 305 . 1 1 10 PHE CE1 C -5.887 4.461 2.925 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 2 . 306 . 1 1 10 PHE CE2 C -4.946 5.794 1.179 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 2 . 307 . 1 1 10 PHE CG C -6.107 6.857 2.998 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 2 . 308 . 1 1 10 PHE CZ C -5.188 4.555 1.738 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 2 . 309 . 1 1 10 PHE H H -4.265 9.102 3.428 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 2 . 310 . 1 1 10 PHE HA H -6.290 9.391 5.361 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 2 . 311 . 1 1 10 PHE HB2 H -7.610 7.895 4.041 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 2 . 312 . 1 1 10 PHE HB3 H -6.674 8.887 2.935 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 2 . 313 . 1 1 10 PHE HD1 H -6.889 5.531 4.478 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 2 . 314 . 1 1 10 PHE HD2 H -5.213 7.903 1.367 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 2 . 315 . 1 1 10 PHE HE1 H -6.077 3.493 3.365 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 2 . 316 . 1 1 10 PHE HE2 H -4.400 5.870 0.251 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 2 . 317 . 1 1 10 PHE HZ H -4.833 3.661 1.248 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 2 . 318 . 1 1 10 PHE N N -4.492 9.173 4.379 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 2 . 319 . 1 1 10 PHE O O -6.250 7.321 6.825 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 2 . 320 . 1 1 11 . C C -2.774 5.895 7.259 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 2 . 321 . 1 1 11 . CA C -4.084 5.593 6.518 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 2 . 322 . 1 1 11 . CB C -3.961 4.290 5.717 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 2 . 323 . 1 1 11 . CD1 C -6.278 1.660 5.480 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 2 . 324 . 1 1 11 . CD2 C -7.586 3.055 6.906 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 2 . 325 . 1 1 11 . CE1 C -7.400 1.372 4.728 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 2 . 326 . 1 1 11 . CE2 C -8.712 2.770 6.156 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 2 . 327 . 1 1 11 . CG C -6.356 2.505 6.578 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 2 . 328 . 1 1 11 . CI C -3.868 3.036 6.578 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 2 . 329 . 1 1 11 . CJ C -5.133 2.819 7.400 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 2 . 330 . 1 1 11 . CZ C -8.619 1.927 5.066 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 2 . 331 . 1 1 11 . HA H -4.875 5.484 7.244 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 2 . 332 . 1 1 11 . HB H -4.824 4.194 5.078 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 2 . 333 . 1 1 11 . HBA H -3.074 4.343 5.102 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 2 . 334 . 1 1 11 . HD1 H -5.326 1.224 5.214 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 2 . 335 . 1 1 11 . HD2 H -7.661 3.714 7.758 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 2 . 336 . 1 1 11 . HE1 H -7.325 0.714 3.875 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 2 . 337 . 1 1 11 . HE2 H -9.663 3.204 6.423 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 2 . 338 . 1 1 11 . HI H -3.719 2.182 5.935 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 2 . 339 . 1 1 11 . HIA H -3.029 3.133 7.250 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 2 . 340 . 1 1 11 . HJ H -5.333 3.715 7.970 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 2 . 341 . 1 1 11 . HJA H -4.966 1.995 8.077 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 2 . 342 . 1 1 11 . HN H -3.880 6.874 4.844 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 2 . 343 . 1 1 11 . HZ H -9.497 1.703 4.478 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 2 . 344 . 1 1 11 . N N -4.441 6.696 5.627 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 2 . 345 . 1 1 11 . O O -1.996 4.991 7.566 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 2 . 346 . 1 1 12 NH2 HN1 H -3.180 7.848 7.279 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 2 . 347 . 1 1 12 NH2 HN2 H -1.690 7.383 8.017 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 2 . 348 . 1 1 12 NH2 N N -2.524 7.171 7.548 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 3 . 349 . 1 1 1 HIS C C 2.684 18.070 6.368 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 3 . 350 . 1 1 1 HIS CA C 3.067 17.868 7.835 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 3 . 351 . 1 1 1 HIS CB C 2.057 18.570 8.752 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 3 . 352 . 1 1 1 HIS CD2 C 3.037 17.360 10.838 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 3 . 353 . 1 1 1 HIS CE1 C 1.721 18.235 12.357 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 3 . 354 . 1 1 1 HIS CG C 2.191 18.209 10.203 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 3 . 355 . 1 1 1 HIS H1 H 4.406 19.442 8.162 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 3 . 356 . 1 1 1 HIS H2 H 5.091 18.115 7.368 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 3 . 357 . 1 1 1 HIS H3 H 4.778 18.037 9.027 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 3 . 358 . 1 1 1 HIS HA H 3.066 16.809 8.052 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 3 . 359 . 1 1 1 HIS HB2 H 2.189 19.637 8.666 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 3 . 360 . 1 1 1 HIS HB3 H 1.057 18.312 8.435 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 3 . 361 . 1 1 1 HIS HD1 H 0.661 19.390 11.043 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 3 . 362 . 1 1 1 HIS HD2 H 3.812 16.764 10.377 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 3 . 363 . 1 1 1 HIS HE1 H 1.258 18.469 13.304 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 3 . 364 . 1 1 1 HIS HE2 H 3.114 16.823 12.865 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 3 . 365 . 1 1 1 HIS N N 4.430 18.403 8.118 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 3 . 366 . 1 1 1 HIS ND1 N 1.381 18.741 11.185 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 3 . 367 . 1 1 1 HIS NE2 N 2.723 17.396 12.173 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 3 . 368 . 1 1 1 HIS O O 2.979 19.114 5.783 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 3 . 369 . 1 1 2 . C C 0.407 18.036 4.166 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 3 . 370 . 1 1 2 . CA C 1.590 17.083 4.382 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 3 . 371 . 1 1 2 . CB C 2.753 17.466 3.456 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 3 . 372 . 1 1 2 . CG C 2.439 17.301 1.976 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 3 . 373 . 1 1 2 . HA H 1.267 16.084 4.130 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 3 . 374 . 1 1 2 . HB H 3.012 18.499 3.631 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 3 . 375 . 1 1 2 . HBA H 3.605 16.846 3.691 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 3 . 376 . 1 1 2 . HG H 3.273 17.670 1.398 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 3 . 377 . 1 1 2 . HGA H 1.555 17.871 1.739 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 3 . 378 . 1 1 2 . HN H 1.832 16.259 6.318 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 3 . 379 . 1 1 2 . N N 2.027 17.057 5.786 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 3 . 380 . 1 1 2 . O O -0.619 17.634 3.611 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 3 . 381 . 1 1 2 . SD S 2.143 15.566 1.498 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 3 . 382 . 1 1 3 GLU C C -0.770 20.565 2.962 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 3 . 383 . 1 1 3 GLU CA C -0.505 20.294 4.443 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 3 . 384 . 1 1 3 GLU CB C -0.122 21.594 5.162 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 3 . 385 . 1 1 3 GLU CD C -0.756 23.966 5.772 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 3 . 386 . 1 1 3 GLU CG C -1.197 22.672 5.112 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 3 . 387 . 1 1 3 GLU H H 1.394 19.554 5.029 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 3 . 388 . 1 1 3 GLU HA H -1.404 19.896 4.889 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 3 . 389 . 1 1 3 GLU HB2 H 0.080 21.370 6.198 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 3 . 390 . 1 1 3 GLU HB3 H 0.775 21.991 4.708 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 3 . 391 . 1 1 3 GLU HG2 H -1.436 22.877 4.079 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 3 . 392 . 1 1 3 GLU HG3 H -2.080 22.307 5.618 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 3 . 393 . 1 1 3 GLU N N 0.553 19.293 4.599 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 3 . 394 . 1 1 3 GLU O O -0.029 21.305 2.311 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 3 . 395 . 1 1 3 GLU OE1 O -0.444 23.942 6.982 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 3 . 396 . 1 1 3 GLU OE2 O -0.722 25.004 5.077 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 3 . 397 . 1 1 4 GLY C C -2.816 18.855 0.467 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 3 . 398 . 1 1 4 GLY CA C -2.182 20.108 1.040 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 3 . 399 . 1 1 4 GLY H H -2.370 19.361 3.012 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 3 . 400 . 1 1 4 GLY HA2 H -2.879 20.929 0.948 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 3 . 401 . 1 1 4 GLY HA3 H -1.291 20.339 0.475 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 3 . 402 . 1 1 4 GLY N N -1.828 19.946 2.440 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 3 . 403 . 1 1 4 GLY O O -3.774 18.929 -0.305 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 3 . 404 . 1 1 5 . C C -3.069 15.489 1.590 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 3 . 405 . 1 1 5 . CA C -2.780 16.406 0.400 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 3 . 406 . 1 1 5 . CB C -1.791 15.750 -0.579 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 3 . 407 . 1 1 5 . CG C -0.319 15.951 -0.229 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 3 . 408 . 1 1 5 . H H -1.517 17.718 1.482 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 3 . 409 . 1 1 5 . HB2 H -1.985 14.689 -0.610 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 3 . 410 . 1 1 5 . HB3 H -1.960 16.162 -1.563 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 3 . 411 . 1 1 5 . HCA H -3.709 16.589 -0.118 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 3 . 412 . 1 1 5 . HG2 H 0.283 15.389 -0.927 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 3 . 413 . 1 1 5 . HG3 H -0.081 17.002 -0.315 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 3 . 414 . 1 1 5 . N N -2.276 17.700 0.858 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 3 . 415 . 1 1 5 . O O -2.549 14.378 1.680 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 3 . 416 . 1 1 5 . SD S 0.120 15.406 1.454 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 3 . 417 . 1 1 6 PHE C C -4.801 13.836 3.378 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 3 . 418 . 1 1 6 PHE CA C -4.284 15.238 3.714 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 3 . 419 . 1 1 6 PHE CB C -5.352 15.997 4.518 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 3 . 420 . 1 1 6 PHE CD1 C -5.443 18.399 3.774 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 3 . 421 . 1 1 6 PHE CD2 C -4.397 17.902 5.860 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 3 . 422 . 1 1 6 PHE CE1 C -5.174 19.741 3.953 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 3 . 423 . 1 1 6 PHE CE2 C -4.126 19.246 6.044 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 3 . 424 . 1 1 6 PHE CG C -5.058 17.462 4.724 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 3 . 425 . 1 1 6 PHE CZ C -4.515 20.166 5.090 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 3 . 426 . 1 1 6 PHE H H -4.277 16.875 2.365 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 3 . 427 . 1 1 6 PHE HA H -3.399 15.139 4.323 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 3 . 428 . 1 1 6 PHE HB2 H -6.298 15.919 4.005 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 3 . 429 . 1 1 6 PHE HB3 H -5.444 15.538 5.491 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 3 . 430 . 1 1 6 PHE HD1 H -5.959 18.069 2.884 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 3 . 431 . 1 1 6 PHE HD2 H -4.091 17.185 6.608 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 3 . 432 . 1 1 6 PHE HE1 H -5.479 20.457 3.206 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 3 . 433 . 1 1 6 PHE HE2 H -3.610 19.577 6.934 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 3 . 434 . 1 1 6 PHE HZ H -4.305 21.215 5.232 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 3 . 435 . 1 1 6 PHE N N -3.907 15.982 2.505 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 3 . 436 . 1 1 6 PHE O O -4.539 12.883 4.113 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 3 . 437 . 1 1 7 THR C C -5.054 11.332 1.757 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 3 . 438 . 1 1 7 THR CA C -6.112 12.441 1.842 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 3 . 439 . 1 1 7 THR CB C -6.837 12.565 0.480 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 3 . 440 . 1 1 7 THR CG2 C -5.883 13.002 -0.627 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 3 . 441 . 1 1 7 THR H H -5.727 14.523 1.738 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 3 . 442 . 1 1 7 THR HA H -6.844 12.153 2.579 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 3 . 443 . 1 1 7 THR HB H -7.616 13.308 0.574 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 3 . 444 . 1 1 7 THR HG1 H -8.204 11.156 0.680 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 3 . 445 . 1 1 7 THR HG21 H -5.401 13.927 -0.344 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 3 . 446 . 1 1 7 THR HG22 H -6.437 13.151 -1.542 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 3 . 447 . 1 1 7 THR HG23 H -5.135 12.238 -0.781 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 3 . 448 . 1 1 7 THR N N -5.546 13.723 2.273 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 3 . 449 . 1 1 7 THR O O -5.359 10.164 1.999 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 3 . 450 . 1 1 7 THR OG1 O -7.434 11.311 0.127 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 3 . 451 . 1 1 8 SER C C -2.571 9.863 2.531 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 3 . 452 . 1 1 8 SER CA C -2.733 10.724 1.273 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 3 . 453 . 1 1 8 SER CB C -1.412 11.432 0.957 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 3 . 454 . 1 1 8 SER H H -3.639 12.640 1.208 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 3 . 455 . 1 1 8 SER HA H -2.978 10.074 0.449 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 3 . 456 . 1 1 8 SER HB2 H -0.651 10.694 0.755 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 3 . 457 . 1 1 8 SER HB3 H -1.544 12.057 0.086 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 3 . 458 . 1 1 8 SER HG H -1.469 13.071 2.032 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 3 . 459 . 1 1 8 SER N N -3.821 11.697 1.401 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 3 . 460 . 1 1 8 SER O O -2.304 8.664 2.431 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 3 . 461 . 1 1 8 SER OG O -0.984 12.243 2.040 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 3 . 462 . 1 1 9 ASP C C -3.863 9.041 5.416 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 3 . 463 . 1 1 9 ASP CA C -2.561 9.739 4.975 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 3 . 464 . 1 1 9 ASP CB C -2.069 10.683 6.081 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 3 . 465 . 1 1 9 ASP CG C -1.673 9.945 7.350 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 3 . 466 . 1 1 9 ASP H H -2.916 11.433 3.737 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 3 . 467 . 1 1 9 ASP HA H -1.810 8.981 4.814 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 3 . 468 . 1 1 9 ASP HB2 H -1.207 11.228 5.723 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 3 . 469 . 1 1 9 ASP HB3 H -2.856 11.383 6.324 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 3 . 470 . 1 1 9 ASP N N -2.715 10.474 3.713 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 3 . 471 . 1 1 9 ASP O O -4.084 8.829 6.611 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 3 . 472 . 1 1 9 ASP OD1 O -0.724 9.134 7.295 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 3 . 473 . 1 1 9 ASP OD2 O -2.317 10.174 8.396 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 3 . 474 . 1 1 10 PHE C C -5.659 6.597 5.403 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 3 . 475 . 1 1 10 PHE CA C -5.957 7.956 4.782 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 3 . 476 . 1 1 10 PHE CB C -6.840 7.794 3.539 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 3 . 477 . 1 1 10 PHE CD1 C -7.641 10.173 3.775 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 3 . 478 . 1 1 10 PHE CD2 C -9.148 8.545 2.902 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 3 . 479 . 1 1 10 PHE CE1 C -8.616 11.145 3.652 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 3 . 480 . 1 1 10 PHE CE2 C -10.126 9.513 2.778 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 3 . 481 . 1 1 10 PHE CG C -7.895 8.861 3.401 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 3 . 482 . 1 1 10 PHE CZ C -9.859 10.815 3.152 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 3 . 483 . 1 1 10 PHE H H -4.487 8.818 3.520 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 3 . 484 . 1 1 10 PHE HA H -6.484 8.556 5.509 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 3 . 485 . 1 1 10 PHE HB2 H -6.218 7.827 2.657 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 3 . 486 . 1 1 10 PHE HB3 H -7.340 6.837 3.585 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 3 . 487 . 1 1 10 PHE HD1 H -6.668 10.434 4.165 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 3 . 488 . 1 1 10 PHE HD2 H -9.360 7.528 2.608 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 3 . 489 . 1 1 10 PHE HE1 H -8.404 12.163 3.945 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 3 . 490 . 1 1 10 PHE HE2 H -11.097 9.252 2.387 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 3 . 491 . 1 1 10 PHE HZ H -10.622 11.572 3.055 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 3 . 492 . 1 1 10 PHE N N -4.710 8.653 4.458 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 3 . 493 . 1 1 10 PHE O O -6.397 6.119 6.263 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 3 . 494 . 1 1 11 . C C -3.887 4.739 6.989 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 3 . 495 . 1 1 11 . CA C -4.146 4.683 5.478 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 3 . 496 . 1 1 11 . CB C -2.885 4.209 4.748 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 3 . 497 . 1 1 11 . CD1 C -0.453 0.278 3.413 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 3 . 498 . 1 1 11 . CD2 C -0.738 0.340 5.781 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 3 . 499 . 1 1 11 . CE1 C -0.134 -1.064 3.484 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 3 . 500 . 1 1 11 . CE2 C -0.420 -1.002 5.857 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 3 . 501 . 1 1 11 . CG C -0.759 0.997 4.560 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 3 . 502 . 1 1 11 . CI C -2.404 2.832 5.176 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 3 . 503 . 1 1 11 . CJ C -1.104 2.459 4.477 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 3 . 504 . 1 1 11 . CZ C -0.118 -1.705 4.707 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 3 . 505 . 1 1 11 . HA H -4.945 3.983 5.288 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 3 . 506 . 1 1 11 . HB H -3.090 4.179 3.688 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 3 . 507 . 1 1 11 . HBA H -2.090 4.917 4.931 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 3 . 508 . 1 1 11 . HD1 H -0.465 0.778 2.456 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 3 . 509 . 1 1 11 . HD2 H -0.975 0.888 6.681 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 3 . 510 . 1 1 11 . HE1 H 0.102 -1.612 2.584 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 3 . 511 . 1 1 11 . HE2 H -0.408 -1.502 6.814 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 3 . 512 . 1 1 11 . HI H -2.242 2.833 6.244 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 3 . 513 . 1 1 11 . HIA H -3.160 2.104 4.924 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 3 . 514 . 1 1 11 . HJ H -0.298 3.020 4.926 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 3 . 515 . 1 1 11 . HJA H -1.186 2.725 3.433 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 3 . 516 . 1 1 11 . HN H -4.012 6.427 4.282 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 3 . 517 . 1 1 11 . HZ H 0.131 -2.755 4.764 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 3 . 518 . 1 1 11 . N N -4.562 5.986 4.964 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 3 . 519 . 1 1 11 . O O -4.139 3.769 7.706 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 3 . 520 . 1 1 12 NH2 HN1 H -3.203 6.610 6.854 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 3 . 521 . 1 1 12 NH2 HN2 H -3.205 5.921 8.439 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 3 . 522 . 1 1 12 NH2 N N -3.380 5.872 7.476 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 4 . 523 . 1 1 1 HIS C C 3.693 18.201 5.711 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 4 . 524 . 1 1 1 HIS CA C 4.678 18.876 6.664 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 4 . 525 . 1 1 1 HIS CB C 4.006 20.068 7.358 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 4 . 526 . 1 1 1 HIS CD2 C 6.011 20.316 9.000 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 4 . 527 . 1 1 1 HIS CE1 C 5.295 22.065 10.110 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 4 . 528 . 1 1 1 HIS CG C 4.810 20.667 8.475 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 4 . 529 . 1 1 1 HIS H1 H 6.666 19.518 6.614 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 4 . 530 . 1 1 1 HIS H2 H 5.683 20.242 5.443 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 4 . 531 . 1 1 1 HIS H3 H 6.195 18.643 5.246 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 4 . 532 . 1 1 1 HIS HA H 4.986 18.160 7.412 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 4 . 533 . 1 1 1 HIS HB2 H 3.829 20.844 6.629 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 4 . 534 . 1 1 1 HIS HB3 H 3.059 19.746 7.767 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 4 . 535 . 1 1 1 HIS HD1 H 3.552 22.254 9.058 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 4 . 536 . 1 1 1 HIS HD2 H 6.634 19.491 8.682 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 4 . 537 . 1 1 1 HIS HE1 H 5.233 22.878 10.819 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 4 . 538 . 1 1 1 HIS HE2 H 7.114 21.226 10.538 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 4 . 539 . 1 1 1 HIS N N 5.890 19.353 5.942 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 4 . 540 . 1 1 1 HIS ND1 N 4.390 21.766 9.196 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 4 . 541 . 1 1 1 HIS NE2 N 6.287 21.200 10.013 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 4 . 542 . 1 1 1 HIS O O 3.453 18.690 4.603 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 4 . 543 . 1 1 2 . C C 0.938 17.179 5.004 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 4 . 544 . 1 1 2 . CA C 2.160 16.318 5.352 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 4 . 545 . 1 1 2 . CB C 2.834 15.800 4.073 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 4 . 546 . 1 1 2 . CG C 2.073 14.684 3.376 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 4 . 547 . 1 1 2 . HA H 1.826 15.478 5.937 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 4 . 548 . 1 1 2 . HB H 2.938 16.620 3.378 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 4 . 549 . 1 1 2 . HBA H 3.818 15.430 4.326 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 4 . 550 . 1 1 2 . HG H 1.032 14.958 3.306 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 4 . 551 . 1 1 2 . HGA H 2.171 13.778 3.954 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 4 . 552 . 1 1 2 . HN H 3.361 16.743 7.045 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 4 . 553 . 1 1 2 . N N 3.125 17.075 6.153 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 4 . 554 . 1 1 2 . O O 0.305 16.982 3.963 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 4 . 555 . 1 1 2 . SD S 2.693 14.354 1.692 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 4 . 556 . 1 1 3 GLU C C -0.576 19.583 4.280 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 4 . 557 . 1 1 3 GLU CA C -0.541 19.016 5.701 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 4 . 558 . 1 1 3 GLU CB C -0.512 20.153 6.732 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 4 . 559 . 1 1 3 GLU CD C 0.859 21.957 7.865 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 4 . 560 . 1 1 3 GLU CG C 0.771 20.973 6.712 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 4 . 561 . 1 1 3 GLU H H 1.147 18.222 6.709 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 4 . 562 . 1 1 3 GLU HA H -1.435 18.430 5.858 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 4 . 563 . 1 1 3 GLU HB2 H -1.340 20.818 6.538 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 4 . 564 . 1 1 3 GLU HB3 H -0.627 19.729 7.719 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 4 . 565 . 1 1 3 GLU HG2 H 1.613 20.300 6.768 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 4 . 566 . 1 1 3 GLU HG3 H 0.814 21.524 5.785 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 4 . 567 . 1 1 3 GLU N N 0.608 18.126 5.895 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 4 . 568 . 1 1 3 GLU O O 0.166 20.508 3.941 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 4 . 569 . 1 1 3 GLU OE1 O 0.852 21.509 9.032 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 4 . 570 . 1 1 3 GLU OE2 O 0.939 23.175 7.601 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 4 . 571 . 1 1 4 GLY C C -2.167 18.344 1.176 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 4 . 572 . 1 1 4 GLY CA C -1.568 19.424 2.066 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 4 . 573 . 1 1 4 GLY H H -1.984 18.255 3.787 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 4 . 574 . 1 1 4 GLY HA2 H -2.200 20.298 2.029 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 4 . 575 . 1 1 4 GLY HA3 H -0.590 19.684 1.687 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 4 . 576 . 1 1 4 GLY N N -1.438 18.998 3.452 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 4 . 577 . 1 1 4 GLY O O -2.834 18.648 0.185 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 4 . 578 . 1 1 5 . C C -3.338 15.096 1.684 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 4 . 579 . 1 1 5 . CA C -2.433 15.937 0.788 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 4 . 580 . 1 1 5 . CB C -1.266 15.094 0.255 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 4 . 581 . 1 1 5 . CG C -0.295 14.656 1.340 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 4 . 582 . 1 1 5 . H H -1.396 16.913 2.343 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 4 . 583 . 1 1 5 . HB2 H -1.663 14.211 -0.224 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 4 . 584 . 1 1 5 . HB3 H -0.721 15.675 -0.474 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 4 . 585 . 1 1 5 . HCA H -3.013 16.310 -0.044 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 4 . 586 . 1 1 5 . HG2 H 0.135 15.533 1.797 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 4 . 587 . 1 1 5 . HG3 H -0.835 14.089 2.085 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 4 . 588 . 1 1 5 . N N -1.926 17.082 1.537 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 4 . 589 . 1 1 5 . O O -3.058 13.927 1.955 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 4 . 590 . 1 1 5 . SD S 1.069 13.621 0.720 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 4 . 591 . 1 1 6 PHE C C -5.771 13.667 2.527 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 4 . 592 . 1 1 6 PHE CA C -5.366 15.052 3.049 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 4 . 593 . 1 1 6 PHE CB C -6.593 15.943 3.277 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 4 . 594 . 1 1 6 PHE CD1 C -8.094 15.296 1.359 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 4 . 595 . 1 1 6 PHE CD2 C -7.399 17.571 1.542 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 4 . 596 . 1 1 6 PHE CE1 C -8.816 15.604 0.223 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 4 . 597 . 1 1 6 PHE CE2 C -8.121 17.885 0.406 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 4 . 598 . 1 1 6 PHE CG C -7.375 16.274 2.032 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 4 . 599 . 1 1 6 PHE CZ C -8.829 16.900 -0.255 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 4 . 600 . 1 1 6 PHE H H -4.569 16.655 1.918 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 4 . 601 . 1 1 6 PHE HA H -4.867 14.916 3.997 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 4 . 602 . 1 1 6 PHE HB2 H -7.254 15.448 3.961 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 4 . 603 . 1 1 6 PHE HB3 H -6.267 16.875 3.719 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 4 . 604 . 1 1 6 PHE HD1 H -8.086 14.281 1.732 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 4 . 605 . 1 1 6 PHE HD2 H -6.844 18.342 2.056 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 4 . 606 . 1 1 6 PHE HE1 H -9.370 14.832 -0.292 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 4 . 607 . 1 1 6 PHE HE2 H -8.131 18.900 0.036 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 4 . 608 . 1 1 6 PHE HZ H -9.395 17.144 -1.142 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 4 . 609 . 1 1 6 PHE N N -4.416 15.717 2.160 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 4 . 610 . 1 1 6 PHE O O -6.003 12.752 3.318 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 4 . 611 . 1 1 7 THR C C -5.150 11.160 0.971 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 4 . 612 . 1 1 7 THR CA C -6.188 12.221 0.599 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 4 . 613 . 1 1 7 THR CB C -6.286 12.318 -0.941 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 4 . 614 . 1 1 7 THR CG2 C -6.669 10.975 -1.552 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 4 . 615 . 1 1 7 THR H H -5.628 14.267 0.615 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 4 . 616 . 1 1 7 THR HA H -7.150 11.922 0.986 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 4 . 617 . 1 1 7 THR HB H -5.320 12.611 -1.330 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 4 . 618 . 1 1 7 THR HG1 H -6.813 14.136 -1.496 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 4 . 619 . 1 1 7 THR HG21 H -7.255 11.139 -2.445 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 4 . 620 . 1 1 7 THR HG22 H -7.249 10.406 -0.840 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 4 . 621 . 1 1 7 THR HG23 H -5.774 10.427 -1.805 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 4 . 622 . 1 1 7 THR N N -5.836 13.508 1.199 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 4 . 623 . 1 1 7 THR O O -5.497 10.054 1.390 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 4 . 624 . 1 1 7 THR OG1 O -7.257 13.306 -1.309 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 4 . 625 . 1 1 8 SER C C -2.797 10.207 2.630 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 4 . 626 . 1 1 8 SER CA C -2.764 10.629 1.156 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 4 . 627 . 1 1 8 SER CB C -1.429 11.308 0.836 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 4 . 628 . 1 1 8 SER H H -3.674 12.425 0.501 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 4 . 629 . 1 1 8 SER HA H -2.861 9.745 0.542 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 4 . 630 . 1 1 8 SER HB2 H -1.401 11.566 -0.212 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 4 . 631 . 1 1 8 SER HB3 H -1.332 12.205 1.429 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 4 . 632 . 1 1 8 SER HG H 0.017 10.660 1.990 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 4 . 633 . 1 1 8 SER N N -3.875 11.522 0.828 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 4 . 634 . 1 1 8 SER O O -2.296 9.137 2.981 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 4 . 635 . 1 1 8 SER OG O -0.336 10.451 1.122 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 4 . 636 . 1 1 9 ASP C C -3.900 9.333 5.185 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 4 . 637 . 1 1 9 ASP CA C -3.485 10.783 4.924 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 4 . 638 . 1 1 9 ASP CB C -4.490 11.743 5.578 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 4 . 639 . 1 1 9 ASP CG C -4.456 11.725 7.102 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 4 . 640 . 1 1 9 ASP H H -3.756 11.896 3.141 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 4 . 641 . 1 1 9 ASP HA H -2.511 10.946 5.359 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 4 . 642 . 1 1 9 ASP HB2 H -4.276 12.748 5.249 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 4 . 643 . 1 1 9 ASP HB3 H -5.486 11.473 5.258 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 4 . 644 . 1 1 9 ASP N N -3.384 11.058 3.486 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 4 . 645 . 1 1 9 ASP O O -3.381 8.691 6.100 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 4 . 646 . 1 1 9 ASP OD1 O -3.585 11.042 7.685 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 4 . 647 . 1 1 9 ASP OD2 O -5.301 12.411 7.715 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 4 . 648 . 1 1 10 PHE C C -4.087 6.477 4.482 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 4 . 649 . 1 1 10 PHE CA C -5.286 7.435 4.510 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 4 . 650 . 1 1 10 PHE CB C -6.291 7.093 3.399 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 4 . 651 . 1 1 10 PHE CD1 C -7.280 5.193 4.726 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 4 . 652 . 1 1 10 PHE CD2 C -7.051 4.935 2.365 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 4 . 653 . 1 1 10 PHE CE1 C -7.827 3.927 4.814 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 4 . 654 . 1 1 10 PHE CE2 C -7.597 3.668 2.448 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 4 . 655 . 1 1 10 PHE CG C -6.885 5.712 3.501 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 4 . 656 . 1 1 10 PHE CZ C -7.986 3.164 3.673 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 4 . 657 . 1 1 10 PHE H H -5.192 9.373 3.646 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 4 . 658 . 1 1 10 PHE HA H -5.776 7.350 5.469 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 4 . 659 . 1 1 10 PHE HB2 H -7.105 7.802 3.432 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 4 . 660 . 1 1 10 PHE HB3 H -5.796 7.171 2.442 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 4 . 661 . 1 1 10 PHE HD1 H -7.155 5.788 5.620 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 4 . 662 . 1 1 10 PHE HD2 H -6.748 5.327 1.406 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 4 . 663 . 1 1 10 PHE HE1 H -8.130 3.534 5.773 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 4 . 664 . 1 1 10 PHE HE2 H -7.721 3.074 1.555 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 4 . 665 . 1 1 10 PHE HZ H -8.414 2.174 3.739 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 4 . 666 . 1 1 10 PHE N N -4.824 8.816 4.367 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 4 . 667 . 1 1 10 PHE O O -4.073 5.485 3.749 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 4 . 668 . 1 1 11 . C C -1.255 6.098 6.796 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 4 . 669 . 1 1 11 . CA C -1.858 6.005 5.394 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 4 . 670 . 1 1 11 . CB C -0.824 6.469 4.360 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 4 . 671 . 1 1 11 . CD1 C 1.570 4.247 2.796 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 4 . 672 . 1 1 11 . CD2 C 0.320 3.405 0.944 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 4 . 673 . 1 1 11 . CE1 C 2.746 3.846 2.189 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 4 . 674 . 1 1 11 . CE2 C 1.493 3.003 0.332 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 4 . 675 . 1 1 11 . CG C 0.344 4.031 2.182 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 4 . 676 . 1 1 11 . CI C -1.095 5.977 2.947 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 4 . 677 . 1 1 11 . CJ C -0.936 4.466 2.843 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 4 . 678 . 1 1 11 . CZ C 2.707 3.223 0.955 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 4 . 679 . 1 1 11 . HA H -2.117 4.976 5.194 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 4 . 680 . 1 1 11 . HB H -0.811 7.548 4.343 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 4 . 681 . 1 1 11 . HBA H 0.149 6.114 4.661 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 4 . 682 . 1 1 11 . HD1 H 1.603 4.733 3.760 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 4 . 683 . 1 1 11 . HD2 H -0.628 3.232 0.456 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 4 . 684 . 1 1 11 . HE1 H 3.693 4.020 2.677 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 4 . 685 . 1 1 11 . HE2 H 1.460 2.516 -0.632 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 4 . 686 . 1 1 11 . HI H -2.103 6.244 2.669 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 4 . 687 . 1 1 11 . HIA H -0.397 6.450 2.272 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 4 . 688 . 1 1 11 . HJ H -1.762 4.070 2.272 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 4 . 689 . 1 1 11 . HJA H -0.957 4.047 3.838 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 4 . 690 . 1 1 11 . HN H -3.160 7.608 5.847 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 4 . 691 . 1 1 11 . HZ H 3.624 2.909 0.479 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 4 . 692 . 1 1 11 . N N -3.080 6.802 5.296 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 4 . 693 . 1 1 11 . O O -1.025 5.081 7.451 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 4 . 694 . 1 1 12 NH2 HN1 H -1.202 8.089 6.684 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 4 . 695 . 1 1 12 NH2 HN2 H -0.604 7.403 8.152 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 4 . 696 . 1 1 12 NH2 N N -0.994 7.321 7.257 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 5 . 697 . 1 1 1 HIS C C 3.793 17.781 4.236 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 5 . 698 . 1 1 1 HIS CA C 5.210 18.163 4.658 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 5 . 699 . 1 1 1 HIS CB C 5.441 19.660 4.417 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 5 . 700 . 1 1 1 HIS CD2 C 7.799 20.721 4.197 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 5 . 701 . 1 1 1 HIS CE1 C 8.413 20.576 6.297 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 5 . 702 . 1 1 1 HIS CG C 6.780 20.148 4.881 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 5 . 703 . 1 1 1 HIS H1 H 6.230 17.685 2.897 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 5 . 704 . 1 1 1 HIS H2 H 6.017 16.374 3.943 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 5 . 705 . 1 1 1 HIS H3 H 7.176 17.553 4.294 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 5 . 706 . 1 1 1 HIS HA H 5.334 17.950 5.709 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 5 . 707 . 1 1 1 HIS HB2 H 5.364 19.863 3.360 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 5 . 708 . 1 1 1 HIS HB3 H 4.682 20.222 4.942 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 5 . 709 . 1 1 1 HIS HD1 H 6.679 19.700 6.938 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 5 . 710 . 1 1 1 HIS HD2 H 7.819 20.937 3.138 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 5 . 711 . 1 1 1 HIS HE1 H 8.992 20.649 7.206 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 5 . 712 . 1 1 1 HIS HE2 H 9.700 21.298 4.876 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 5 . 713 . 1 1 1 HIS N N 6.229 17.390 3.895 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 5 . 714 . 1 1 1 HIS ND1 N 7.197 20.071 6.193 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 5 . 715 . 1 1 1 HIS NE2 N 8.801 20.977 5.100 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 5 . 716 . 1 1 1 HIS O O 3.492 17.722 3.042 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 5 . 717 . 1 1 2 . C C 0.678 18.365 4.573 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 5 . 718 . 1 1 2 . CA C 1.526 17.158 4.993 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 5 . 719 . 1 1 2 . CB C 1.420 16.037 3.950 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 5 . 720 . 1 1 2 . CG C -0.004 15.569 3.683 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 5 . 721 . 1 1 2 . HA H 1.137 16.791 5.929 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 5 . 722 . 1 1 2 . HB H 1.837 16.387 3.018 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 5 . 723 . 1 1 2 . HBA H 1.995 15.189 4.292 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 5 . 724 . 1 1 2 . HG H 0.001 14.915 2.822 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 5 . 725 . 1 1 2 . HGA H -0.617 16.430 3.474 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 5 . 726 . 1 1 2 . HN H 3.243 17.606 6.154 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 5 . 727 . 1 1 2 . N N 2.929 17.532 5.228 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 5 . 728 . 1 1 2 . O O -0.415 18.568 5.105 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 5 . 729 . 1 1 2 . SD S -0.760 14.664 5.080 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 5 . 730 . 1 1 3 GLU C C -0.940 19.977 2.655 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 5 . 731 . 1 1 3 GLU CA C 0.452 20.347 3.163 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 5 . 732 . 1 1 3 GLU CB C 1.246 21.060 2.063 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 5 . 733 . 1 1 3 GLU CD C 3.420 22.223 1.416 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 5 . 734 . 1 1 3 GLU CG C 2.619 21.544 2.518 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 5 . 735 . 1 1 3 GLU H H 2.049 18.959 3.237 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 5 . 736 . 1 1 3 GLU HA H 0.346 21.016 4.004 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 5 . 737 . 1 1 3 GLU HB2 H 1.384 20.379 1.236 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 5 . 738 . 1 1 3 GLU HB3 H 0.681 21.915 1.724 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 5 . 739 . 1 1 3 GLU HG2 H 2.485 22.248 3.325 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 5 . 740 . 1 1 3 GLU HG3 H 3.181 20.694 2.877 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 5 . 741 . 1 1 3 GLU N N 1.176 19.165 3.628 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 5 . 742 . 1 1 3 GLU O O -1.091 19.451 1.550 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 5 . 743 . 1 1 3 GLU OE1 O 2.911 22.336 0.278 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 5 . 744 . 1 1 3 GLU OE2 O 4.563 22.644 1.694 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 5 . 745 . 1 1 4 GLY C C -3.766 18.546 3.523 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 5 . 746 . 1 1 4 GLY CA C -3.329 19.945 3.110 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 5 . 747 . 1 1 4 GLY H H -1.767 20.667 4.348 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 5 . 748 . 1 1 4 GLY HA2 H -3.983 20.664 3.581 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 5 . 749 . 1 1 4 GLY HA3 H -3.429 20.038 2.038 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 5 . 750 . 1 1 4 GLY N N -1.955 20.254 3.479 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 5 . 751 . 1 1 4 GLY O O -4.943 18.328 3.819 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 5 . 752 . 1 1 5 . C C -4.223 15.624 3.028 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 5 . 753 . 1 1 5 . CA C -3.113 16.208 3.907 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 5 . 754 . 1 1 5 . CB C -3.502 16.106 5.389 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 5 . 755 . 1 1 5 . CG C -2.562 16.835 6.342 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 5 . 756 . 1 1 5 . H H -1.905 17.836 3.291 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 5 . 757 . 1 1 5 . HB2 H -4.492 16.519 5.516 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 5 . 758 . 1 1 5 . HB3 H -3.522 15.063 5.669 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 5 . 759 . 1 1 5 . HCA H -2.219 15.635 3.741 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 5 . 760 . 1 1 5 . HG2 H -2.395 17.832 5.966 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 5 . 761 . 1 1 5 . HG3 H -3.036 16.897 7.312 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 5 . 762 . 1 1 5 . N N -2.823 17.597 3.537 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 5 . 763 . 1 1 5 . O O -5.161 14.996 3.525 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 5 . 764 . 1 1 5 . SD S -0.926 16.042 6.564 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 5 . 765 . 1 1 6 PHE C C -5.289 13.814 0.928 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 5 . 766 . 1 1 6 PHE CA C -5.102 15.324 0.770 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 5 . 767 . 1 1 6 PHE CB C -4.685 15.654 -0.668 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 5 . 768 . 1 1 6 PHE CD1 C -7.017 15.561 -1.603 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 5 . 769 . 1 1 6 PHE CD2 C -5.275 14.441 -2.787 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 5 . 770 . 1 1 6 PHE CE1 C -7.931 15.153 -2.556 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 5 . 771 . 1 1 6 PHE CE2 C -6.185 14.031 -3.742 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 5 . 772 . 1 1 6 PHE CG C -5.679 15.210 -1.707 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 5 . 773 . 1 1 6 PHE CZ C -7.514 14.387 -3.627 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 5 . 774 . 1 1 6 PHE H H -3.340 16.335 1.377 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 5 . 775 . 1 1 6 PHE HA H -6.041 15.813 0.984 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 5 . 776 . 1 1 6 PHE HB2 H -4.563 16.722 -0.763 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 5 . 777 . 1 1 6 PHE HB3 H -3.743 15.170 -0.880 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 5 . 778 . 1 1 6 PHE HD1 H -7.344 16.161 -0.766 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 5 . 779 . 1 1 6 PHE HD2 H -4.236 14.161 -2.879 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 5 . 780 . 1 1 6 PHE HE1 H -8.970 15.433 -2.462 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 5 . 781 . 1 1 6 PHE HE2 H -5.857 13.432 -4.579 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 5 . 782 . 1 1 6 PHE HZ H -8.227 14.067 -4.372 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 5 . 783 . 1 1 6 PHE N N -4.110 15.831 1.716 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 5 . 784 . 1 1 6 PHE O O -6.418 13.326 1.000 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 5 . 785 . 1 1 7 THR C C -4.143 11.202 2.606 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 5 . 786 . 1 1 7 THR CA C -4.209 11.630 1.133 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 5 . 787 . 1 1 7 THR CB C -3.061 10.957 0.349 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 5 . 788 . 1 1 7 THR CG2 C -3.192 11.228 -1.144 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 5 . 789 . 1 1 7 THR H H -3.305 13.532 0.923 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 5 . 790 . 1 1 7 THR HA H -5.144 11.282 0.718 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 5 . 791 . 1 1 7 THR HB H -3.113 9.890 0.510 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 5 . 792 . 1 1 7 THR HG1 H -1.210 10.694 0.978 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 5 . 793 . 1 1 7 THR HG21 H -2.418 10.694 -1.676 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 5 . 794 . 1 1 7 THR HG22 H -3.090 12.287 -1.328 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 5 . 795 . 1 1 7 THR HG23 H -4.160 10.894 -1.487 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 5 . 796 . 1 1 7 THR N N -4.174 13.083 0.982 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 5 . 797 . 1 1 7 THR O O -3.428 10.257 2.950 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 5 . 798 . 1 1 7 THR OG1 O -1.794 11.438 0.815 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 5 . 799 . 1 1 8 SER C C -5.168 10.073 5.131 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 5 . 800 . 1 1 8 SER CA C -4.917 11.564 4.905 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 5 . 801 . 1 1 8 SER CB C -5.989 12.380 5.634 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 5 . 802 . 1 1 8 SER H H -5.450 12.633 3.147 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 5 . 803 . 1 1 8 SER HA H -3.951 11.816 5.313 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 5 . 804 . 1 1 8 SER HB2 H -6.922 12.303 5.096 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 5 . 805 . 1 1 8 SER HB3 H -6.117 11.989 6.632 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 5 . 806 . 1 1 8 SER HG H -6.004 14.225 4.980 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 5 . 807 . 1 1 8 SER N N -4.896 11.892 3.474 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 5 . 808 . 1 1 8 SER O O -4.503 9.444 5.956 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 5 . 809 . 1 1 8 SER OG O -5.628 13.746 5.722 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 5 . 810 . 1 1 9 ASP C C -5.265 7.217 4.135 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 5 . 811 . 1 1 9 ASP CA C -6.462 8.096 4.499 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 5 . 812 . 1 1 9 ASP CB C -7.653 7.754 3.597 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 5 . 813 . 1 1 9 ASP CG C -8.910 8.519 3.975 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 5 . 814 . 1 1 9 ASP H H -6.614 10.072 3.746 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 5 . 815 . 1 1 9 ASP HA H -6.733 7.902 5.524 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 5 . 816 . 1 1 9 ASP HB2 H -7.403 7.995 2.575 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 5 . 817 . 1 1 9 ASP HB3 H -7.861 6.697 3.673 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 5 . 818 . 1 1 9 ASP N N -6.125 9.516 4.388 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 5 . 819 . 1 1 9 ASP O O -4.986 6.225 4.813 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 5 . 820 . 1 1 9 ASP OD1 O -9.399 8.336 5.110 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 5 . 821 . 1 1 9 ASP OD2 O -9.402 9.302 3.136 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 5 . 822 . 1 1 10 PHE C C -2.284 6.872 3.682 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 5 . 823 . 1 1 10 PHE CA C -3.387 6.841 2.616 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 5 . 824 . 1 1 10 PHE CB C -2.871 7.416 1.288 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 5 . 825 . 1 1 10 PHE CD1 C -1.889 5.237 0.505 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 5 . 826 . 1 1 10 PHE CD2 C -0.610 7.229 0.212 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 5 . 827 . 1 1 10 PHE CE1 C -0.876 4.498 -0.075 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 5 . 828 . 1 1 10 PHE CE2 C 0.406 6.494 -0.369 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 5 . 829 . 1 1 10 PHE CG C -1.768 6.610 0.656 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 5 . 830 . 1 1 10 PHE CZ C 0.273 5.127 -0.513 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 5 . 831 . 1 1 10 PHE H H -4.827 8.396 2.573 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 5 . 832 . 1 1 10 PHE HA H -3.691 5.816 2.462 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 5 . 833 . 1 1 10 PHE HB2 H -3.689 7.463 0.585 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 5 . 834 . 1 1 10 PHE HB3 H -2.496 8.414 1.461 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 5 . 835 . 1 1 10 PHE HD1 H -2.787 4.744 0.847 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 5 . 836 . 1 1 10 PHE HD2 H -0.504 8.298 0.323 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 5 . 837 . 1 1 10 PHE HE1 H -0.983 3.429 -0.186 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 5 . 838 . 1 1 10 PHE HE2 H 1.303 6.989 -0.711 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 5 . 839 . 1 1 10 PHE HZ H 1.066 4.551 -0.966 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 5 . 840 . 1 1 10 PHE N N -4.558 7.592 3.066 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 5 . 841 . 1 1 10 PHE O O -1.095 6.958 3.366 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 5 . 842 . 1 1 11 . C C -2.326 6.070 7.289 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 5 . 843 . 1 1 11 . CA C -1.756 6.815 6.074 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 5 . 844 . 1 1 11 . CB C -1.422 8.260 6.465 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 5 . 845 . 1 1 11 . CD1 C -0.050 11.522 3.542 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 5 . 846 . 1 1 11 . CD2 C 1.646 11.706 5.209 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 5 . 847 . 1 1 11 . CE1 C 0.743 12.223 2.654 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 5 . 848 . 1 1 11 . CE2 C 2.443 12.408 4.325 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 5 . 849 . 1 1 11 . CG C 0.392 11.255 4.829 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 5 . 850 . 1 1 11 . CI C -0.770 9.066 5.352 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 5 . 851 . 1 1 11 . CJ C -0.472 10.491 5.792 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 5 . 852 . 1 1 11 . CZ C 1.991 12.667 3.046 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 5 . 853 . 1 1 11 . HA H -0.851 6.319 5.757 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 5 . 854 . 1 1 11 . HB H -2.333 8.762 6.755 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 5 . 855 . 1 1 11 . HBA H -0.748 8.244 7.310 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 5 . 856 . 1 1 11 . HD1 H -1.026 11.176 3.235 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 5 . 857 . 1 1 11 . HD2 H 2.001 11.504 6.209 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 5 . 858 . 1 1 11 . HE1 H 0.388 12.424 1.654 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 5 . 859 . 1 1 11 . HE2 H 3.418 12.753 4.634 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 5 . 860 . 1 1 11 . HI H 0.156 8.587 5.069 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 5 . 861 . 1 1 11 . HIA H -1.437 9.096 4.504 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 5 . 862 . 1 1 11 . HJ H 0.034 10.460 6.746 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 5 . 863 . 1 1 11 . HJA H -1.407 11.022 5.899 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 5 . 864 . 1 1 11 . HN H -3.655 6.729 5.137 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 5 . 865 . 1 1 11 . HZ H 2.612 13.215 2.353 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 5 . 866 . 1 1 11 . N N -2.695 6.797 4.951 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 5 . 867 . 1 1 11 . O O -1.952 6.346 8.429 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 5 . 868 . 1 1 12 NH2 HN1 H -3.486 4.940 6.121 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 5 . 869 . 1 1 12 NH2 HN2 H -3.594 4.628 7.816 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 5 . 870 . 1 1 12 NH2 N N -3.227 5.116 7.050 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 6 . 871 . 1 1 1 HIS C C 3.601 18.108 5.605 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 6 . 872 . 1 1 1 HIS CA C 4.534 18.329 6.802 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 6 . 873 . 1 1 1 HIS CB C 5.899 18.856 6.329 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 6 . 874 . 1 1 1 HIS CD2 C 6.296 16.719 4.891 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 6 . 875 . 1 1 1 HIS CE1 C 8.286 17.219 4.123 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 6 . 876 . 1 1 1 HIS CG C 6.638 17.926 5.406 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 6 . 877 . 1 1 1 HIS H1 H 5.670 17.099 8.059 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 6 . 878 . 1 1 1 HIS H2 H 4.737 16.249 6.935 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 6 . 879 . 1 1 1 HIS H3 H 4.000 16.953 8.283 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 6 . 880 . 1 1 1 HIS HA H 4.085 19.057 7.461 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 6 . 881 . 1 1 1 HIS HB2 H 5.751 19.789 5.806 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 6 . 882 . 1 1 1 HIS HB3 H 6.523 19.032 7.193 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 6 . 883 . 1 1 1 HIS HD1 H 8.414 19.017 5.092 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 6 . 884 . 1 1 1 HIS HD2 H 5.374 16.184 5.070 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 6 . 885 . 1 1 1 HIS HE1 H 9.227 17.167 3.596 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 6 . 886 . 1 1 1 HIS HE2 H 7.404 15.432 3.658 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 6 . 887 . 1 1 1 HIS N N 4.751 17.070 7.572 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 6 . 888 . 1 1 1 HIS ND1 N 7.892 18.209 4.905 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 6 . 889 . 1 1 1 HIS NE2 N 7.337 16.304 4.100 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 6 . 890 . 1 1 1 HIS O O 3.814 18.679 4.536 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 6 . 891 . 1 1 2 . C C 0.571 18.089 4.560 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 6 . 892 . 1 1 2 . CA C 1.577 16.954 4.766 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 6 . 893 . 1 1 2 . CB C 2.256 16.570 3.432 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 6 . 894 . 1 1 2 . CG C 2.288 17.678 2.381 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 6 . 895 . 1 1 2 . HA H 1.025 16.097 5.119 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 6 . 896 . 1 1 2 . HB H 3.274 16.276 3.636 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 6 . 897 . 1 1 2 . HBA H 1.731 15.725 3.012 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 6 . 898 . 1 1 2 . HG H 2.896 18.492 2.742 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 6 . 899 . 1 1 2 . HGA H 1.282 18.028 2.212 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 6 . 900 . 1 1 2 . HN H 2.465 16.866 6.687 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 6 . 901 . 1 1 2 . N N 2.568 17.279 5.804 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 6 . 902 . 1 1 2 . O O -0.638 17.850 4.574 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 6 . 903 . 1 1 2 . SD S 2.967 17.129 0.782 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 6 . 904 . 1 1 3 GLU C C -0.623 20.291 2.867 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 6 . 905 . 1 1 3 GLU CA C 0.181 20.462 4.156 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 6 . 906 . 1 1 3 GLU CB C 0.993 21.760 4.098 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 6 . 907 . 1 1 3 GLU CD C 2.624 23.306 5.262 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 6 . 908 . 1 1 3 GLU CG C 1.808 22.030 5.354 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 6 . 909 . 1 1 3 GLU H H 2.030 19.452 4.362 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 6 . 910 . 1 1 3 GLU HA H -0.504 20.513 4.990 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 6 . 911 . 1 1 3 GLU HB2 H 1.672 21.708 3.260 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 6 . 912 . 1 1 3 GLU HB3 H 0.316 22.587 3.950 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 6 . 913 . 1 1 3 GLU HG2 H 1.134 22.113 6.193 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 6 . 914 . 1 1 3 GLU HG3 H 2.481 21.200 5.516 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 6 . 915 . 1 1 3 GLU N N 1.060 19.316 4.367 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 6 . 916 . 1 1 3 GLU O O -0.088 20.440 1.766 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 6 . 917 . 1 1 3 GLU OE1 O 2.020 24.392 5.130 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 6 . 918 . 1 1 3 GLU OE2 O 3.869 23.218 5.319 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 6 . 919 . 1 1 4 GLY C C -2.913 18.304 1.461 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 6 . 920 . 1 1 4 GLY CA C -2.769 19.768 1.857 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 6 . 921 . 1 1 4 GLY H H -2.273 19.850 3.918 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 6 . 922 . 1 1 4 GLY HA2 H -3.748 20.163 2.082 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 6 . 923 . 1 1 4 GLY HA3 H -2.359 20.316 1.021 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 6 . 924 . 1 1 4 GLY N N -1.909 19.966 3.015 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 6 . 925 . 1 1 4 GLY O O -3.833 17.951 0.721 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 6 . 926 . 1 1 5 . C C -2.816 15.268 2.750 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 6 . 927 . 1 1 5 . CA C -2.055 16.019 1.660 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 6 . 928 . 1 1 5 . CB C -0.635 15.459 1.527 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 6 . 929 . 1 1 5 . CG C 0.163 16.057 0.379 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 6 . 930 . 1 1 5 . H H -1.316 17.784 2.554 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 6 . 931 . 1 1 5 . HB2 H -0.100 15.650 2.445 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 6 . 932 . 1 1 5 . HB3 H -0.697 14.391 1.374 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 6 . 933 . 1 1 5 . HCA H -2.574 15.891 0.722 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 6 . 934 . 1 1 5 . HG2 H -0.305 15.785 -0.555 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 6 . 935 . 1 1 5 . HG3 H 0.175 17.132 0.481 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 6 . 936 . 1 1 5 . N N -2.014 17.449 1.959 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 6 . 937 . 1 1 5 . O O -2.375 14.219 3.227 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 6 . 938 . 1 1 5 . SD S 1.887 15.468 0.344 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 6 . 939 . 1 1 6 PHE C C -5.303 13.836 3.754 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 6 . 940 . 1 1 6 PHE CA C -4.796 15.220 4.178 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 6 . 941 . 1 1 6 PHE CB C -5.964 16.155 4.514 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 6 . 942 . 1 1 6 PHE CD1 C -7.800 15.375 2.977 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 6 . 943 . 1 1 6 PHE CD2 C -6.970 17.596 2.716 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 6 . 944 . 1 1 6 PHE CE1 C -8.685 15.580 1.936 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 6 . 945 . 1 1 6 PHE CE2 C -7.854 17.806 1.674 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 6 . 946 . 1 1 6 PHE CG C -6.933 16.379 3.380 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 6 . 947 . 1 1 6 PHE CZ C -8.712 16.797 1.284 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 6 . 948 . 1 1 6 PHE H H -4.256 16.654 2.724 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 6 . 949 . 1 1 6 PHE HA H -4.184 15.102 5.059 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 6 . 950 . 1 1 6 PHE HB2 H -6.512 15.743 5.340 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 6 . 951 . 1 1 6 PHE HB3 H -5.567 17.117 4.804 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 6 . 952 . 1 1 6 PHE HD1 H -7.782 14.423 3.486 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 6 . 953 . 1 1 6 PHE HD2 H -6.299 18.386 3.020 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 6 . 954 . 1 1 6 PHE HE1 H -9.355 14.790 1.632 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 6 . 955 . 1 1 6 PHE HE2 H -7.873 18.759 1.166 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 6 . 956 . 1 1 6 PHE HZ H -9.403 16.960 0.470 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 6 . 957 . 1 1 6 PHE N N -3.962 15.819 3.143 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 6 . 958 . 1 1 6 PHE O O -5.495 12.955 4.595 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 6 . 959 . 1 1 7 THR C C -5.046 11.230 2.255 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 6 . 960 . 1 1 7 THR CA C -5.988 12.386 1.898 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 6 . 961 . 1 1 7 THR CB C -6.137 12.461 0.363 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 6 . 962 . 1 1 7 THR CG2 C -6.661 11.149 -0.204 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 6 . 963 . 1 1 7 THR H H -5.335 14.398 1.831 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 6 . 964 . 1 1 7 THR HA H -6.961 12.186 2.323 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 6 . 965 . 1 1 7 THR HB H -5.166 12.660 -0.069 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 6 . 966 . 1 1 7 THR HG1 H -6.530 14.329 -0.142 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 6 . 967 . 1 1 7 THR HG21 H -7.286 10.662 0.531 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 6 . 968 . 1 1 7 THR HG22 H -5.829 10.506 -0.450 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 6 . 969 . 1 1 7 THR HG23 H -7.239 11.346 -1.094 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 6 . 970 . 1 1 7 THR N N -5.511 13.656 2.446 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 6 . 971 . 1 1 7 THR O O -5.494 10.099 2.439 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 6 . 972 . 1 1 7 THR OG1 O -7.032 13.524 0.009 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 6 . 973 . 1 1 8 SER C C -3.150 9.572 3.793 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 6 . 974 . 1 1 8 SER CA C -2.713 10.532 2.677 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 6 . 975 . 1 1 8 SER CB C -1.414 11.234 3.085 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 6 . 976 . 1 1 8 SER H H -3.461 12.455 2.184 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 6 . 977 . 1 1 8 SER HA H -2.524 9.954 1.785 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 6 . 978 . 1 1 8 SER HB2 H -1.608 11.882 3.927 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 6 . 979 . 1 1 8 SER HB3 H -0.681 10.494 3.363 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 6 . 980 . 1 1 8 SER HG H -0.093 12.456 2.312 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 6 . 981 . 1 1 8 SER N N -3.743 11.530 2.347 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 6 . 982 . 1 1 8 SER O O -2.724 8.416 3.818 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 6 . 983 . 1 1 8 SER OG O -0.895 12.014 2.022 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 6 . 984 . 1 1 9 ASP C C -5.025 7.884 5.380 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 6 . 985 . 1 1 9 ASP CA C -4.491 9.255 5.835 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 6 . 986 . 1 1 9 ASP CB C -5.598 10.023 6.574 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 6 . 987 . 1 1 9 ASP CG C -5.977 9.410 7.918 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 6 . 988 . 1 1 9 ASP H H -4.286 10.992 4.636 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 6 . 989 . 1 1 9 ASP HA H -3.667 9.096 6.515 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 6 . 990 . 1 1 9 ASP HB2 H -5.266 11.034 6.750 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 6 . 991 . 1 1 9 ASP HB3 H -6.481 10.047 5.952 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 6 . 992 . 1 1 9 ASP N N -3.992 10.060 4.712 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 6 . 993 . 1 1 9 ASP O O -5.069 6.942 6.173 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 6 . 994 . 1 1 9 ASP OD1 O -5.260 8.504 8.398 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 6 . 995 . 1 1 9 ASP OD2 O -6.986 9.857 8.503 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 6 . 996 . 1 1 10 PHE C C -5.038 5.335 3.828 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 6 . 997 . 1 1 10 PHE CA C -5.979 6.521 3.575 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 6 . 998 . 1 1 10 PHE CB C -6.285 6.653 2.070 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 6 . 999 . 1 1 10 PHE CD1 C -4.146 5.846 1.007 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 6 . 1000 . 1 1 10 PHE CD2 C -4.883 8.060 0.524 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 6 . 1001 . 1 1 10 PHE CE1 C -3.046 6.031 0.192 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 6 . 1002 . 1 1 10 PHE CE2 C -3.785 8.250 -0.293 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 6 . 1003 . 1 1 10 PHE CG C -5.077 6.858 1.187 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 6 . 1004 . 1 1 10 PHE CZ C -2.866 7.235 -0.459 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 6 . 1005 . 1 1 10 PHE H H -5.392 8.559 3.523 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 6 . 1006 . 1 1 10 PHE HA H -6.906 6.328 4.094 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 6 . 1007 . 1 1 10 PHE HB2 H -6.783 5.757 1.736 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 6 . 1008 . 1 1 10 PHE HB3 H -6.947 7.496 1.924 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 6 . 1009 . 1 1 10 PHE HD1 H -4.285 4.902 1.514 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 6 . 1010 . 1 1 10 PHE HD2 H -5.600 8.856 0.652 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 6 . 1011 . 1 1 10 PHE HE1 H -2.328 5.234 0.064 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 6 . 1012 . 1 1 10 PHE HE2 H -3.648 9.192 -0.804 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 6 . 1013 . 1 1 10 PHE HZ H -2.006 7.381 -1.097 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 6 . 1014 . 1 1 10 PHE N N -5.439 7.776 4.110 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 6 . 1015 . 1 1 10 PHE O O -5.499 4.206 4.006 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 6 . 1016 . 1 1 11 . C C -2.932 3.883 5.447 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 6 . 1017 . 1 1 11 . CA C -2.736 4.536 4.078 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 6 . 1018 . 1 1 11 . CB C -1.311 5.089 3.969 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 6 . 1019 . 1 1 11 . CD1 C 1.771 6.496 4.590 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 6 . 1020 . 1 1 11 . CD2 C 0.631 8.315 3.552 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 6 . 1021 . 1 1 11 . CE1 C 2.223 7.342 5.585 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 6 . 1022 . 1 1 11 . CE2 C 1.080 9.166 4.545 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 6 . 1023 . 1 1 11 . CG C 0.971 6.972 3.563 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 6 . 1024 . 1 1 11 . CI C -0.983 5.662 2.599 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 6 . 1025 . 1 1 11 . CJ C 0.485 6.050 2.480 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 6 . 1026 . 1 1 11 . CZ C 1.876 8.679 5.562 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 6 . 1027 . 1 1 11 . HA H -2.876 3.784 3.316 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 6 . 1028 . 1 1 11 . HB H -1.184 5.871 4.703 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 6 . 1029 . 1 1 11 . HBA H -0.612 4.292 4.179 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 6 . 1030 . 1 1 11 . HD1 H 2.043 5.451 4.609 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 6 . 1031 . 1 1 11 . HD2 H 0.008 8.697 2.757 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 6 . 1032 . 1 1 11 . HE1 H 2.845 6.959 6.380 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 6 . 1033 . 1 1 11 . HE2 H 0.808 10.211 4.524 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 6 . 1034 . 1 1 11 . HI H -1.209 4.919 1.849 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 6 . 1035 . 1 1 11 . HIA H -1.590 6.539 2.434 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 6 . 1036 . 1 1 11 . HJ H 0.632 6.544 1.531 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 6 . 1037 . 1 1 11 . HJA H 1.083 5.152 2.511 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 6 . 1038 . 1 1 11 . HN H -3.416 6.510 3.696 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 6 . 1039 . 1 1 11 . HZ H 2.228 9.342 6.338 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 6 . 1040 . 1 1 11 . N N -3.725 5.592 3.844 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 6 . 1041 . 1 1 11 . O O -2.909 2.658 5.568 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 6 . 1042 . 1 1 12 NH2 HN1 H -3.130 5.665 6.315 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 6 . 1043 . 1 1 12 NH2 HN2 H -3.246 4.299 7.365 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 6 . 1044 . 1 1 12 NH2 N N -3.122 4.698 6.480 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 7 . 1045 . 1 1 1 HIS C C 4.213 21.073 4.498 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 7 . 1046 . 1 1 1 HIS CA C 5.057 22.187 5.131 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 7 . 1047 . 1 1 1 HIS CB C 6.538 22.009 4.775 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 7 . 1048 . 1 1 1 HIS CD2 C 7.370 21.141 2.474 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 7 . 1049 . 1 1 1 HIS CE1 C 6.831 22.885 1.258 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 7 . 1050 . 1 1 1 HIS CG C 6.806 22.054 3.300 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 7 . 1051 . 1 1 1 HIS H1 H 5.248 23.134 6.984 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 7 . 1052 . 1 1 1 HIS H2 H 5.492 21.461 7.045 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 7 . 1053 . 1 1 1 HIS H3 H 3.926 22.082 6.887 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 7 . 1054 . 1 1 1 HIS HA H 4.717 23.137 4.746 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 7 . 1055 . 1 1 1 HIS HB2 H 7.110 22.799 5.242 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 7 . 1056 . 1 1 1 HIS HB3 H 6.881 21.056 5.147 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 7 . 1057 . 1 1 1 HIS HD1 H 6.055 23.964 2.814 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 7 . 1058 . 1 1 1 HIS HD2 H 7.748 20.169 2.757 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 7 . 1059 . 1 1 1 HIS HE1 H 6.697 23.550 0.417 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 7 . 1060 . 1 1 1 HIS HE2 H 7.776 21.272 0.418 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 7 . 1061 . 1 1 1 HIS N N 4.921 22.217 6.615 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 7 . 1062 . 1 1 1 HIS ND1 N 6.481 23.136 2.507 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 7 . 1063 . 1 1 1 HIS NE2 N 7.373 21.682 1.212 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 7 . 1064 . 1 1 1 HIS O O 3.684 21.244 3.396 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 7 . 1065 . 1 1 2 . C C 1.843 19.187 4.426 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 7 . 1066 . 1 1 2 . CA C 3.304 18.795 4.715 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 7 . 1067 . 1 1 2 . CB C 3.986 18.202 3.470 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 7 . 1068 . 1 1 2 . CG C 3.303 16.970 2.887 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 7 . 1069 . 1 1 2 . HA H 3.301 18.049 5.493 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 7 . 1070 . 1 1 2 . HB H 4.014 18.959 2.700 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 7 . 1071 . 1 1 2 . HBA H 4.998 17.933 3.728 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 7 . 1072 . 1 1 2 . HG H 3.987 16.490 2.200 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 7 . 1073 . 1 1 2 . HGA H 2.417 17.277 2.355 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 7 . 1074 . 1 1 2 . HN H 4.532 19.868 6.069 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 7 . 1075 . 1 1 2 . N N 4.087 19.939 5.200 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 7 . 1076 . 1 1 2 . O O 1.127 18.467 3.722 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 7 . 1077 . 1 1 2 . SD S 2.812 15.744 4.146 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 7 . 1078 . 1 1 3 GLU C C -0.462 20.622 3.417 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 7 . 1079 . 1 1 3 GLU CA C 0.032 20.809 4.846 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 7 . 1080 . 1 1 3 GLU CB C -0.054 22.288 5.241 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 7 . 1081 . 1 1 3 GLU CD C 0.255 24.033 7.047 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 7 . 1082 . 1 1 3 GLU CG C 0.295 22.556 6.697 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 7 . 1083 . 1 1 3 GLU H H 2.018 20.826 5.573 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 7 . 1084 . 1 1 3 GLU HA H -0.603 20.236 5.507 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 7 . 1085 . 1 1 3 GLU HB2 H 0.627 22.853 4.622 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 7 . 1086 . 1 1 3 GLU HB3 H -1.060 22.639 5.064 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 7 . 1087 . 1 1 3 GLU HG2 H -0.413 22.034 7.324 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 7 . 1088 . 1 1 3 GLU HG3 H 1.290 22.182 6.890 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 7 . 1089 . 1 1 3 GLU N N 1.404 20.317 5.007 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 7 . 1090 . 1 1 3 GLU O O -0.080 21.365 2.507 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 7 . 1091 . 1 1 3 GLU OE1 O 1.014 24.812 6.430 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 7 . 1092 . 1 1 3 GLU OE2 O -0.534 24.411 7.939 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 7 . 1093 . 1 1 4 GLY C C -2.259 17.848 1.786 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 7 . 1094 . 1 1 4 GLY CA C -1.839 19.302 1.922 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 7 . 1095 . 1 1 4 GLY H H -1.547 19.050 4.005 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 7 . 1096 . 1 1 4 GLY HA2 H -2.698 19.929 1.743 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 7 . 1097 . 1 1 4 GLY HA3 H -1.087 19.520 1.179 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 7 . 1098 . 1 1 4 GLY N N -1.301 19.608 3.235 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 7 . 1099 . 1 1 4 GLY O O -3.173 17.535 1.022 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 7 . 1100 . 1 1 5 . C C -3.157 15.190 3.241 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 7 . 1101 . 1 1 5 . CA C -1.867 15.524 2.480 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 7 . 1102 . 1 1 5 . CB C -0.682 14.739 3.054 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 7 . 1103 . 1 1 5 . CG C 0.594 14.898 2.240 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 7 . 1104 . 1 1 5 . H H -0.860 17.278 3.100 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 7 . 1105 . 1 1 5 . HB2 H -0.488 15.081 4.060 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 7 . 1106 . 1 1 5 . HB3 H -0.938 13.691 3.080 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 7 . 1107 . 1 1 5 . HCA H -2.000 15.246 1.444 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 7 . 1108 . 1 1 5 . HG2 H 0.467 14.394 1.293 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 7 . 1109 . 1 1 5 . HG3 H 0.771 15.950 2.067 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 7 . 1110 . 1 1 5 . N N -1.580 16.960 2.520 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 7 . 1111 . 1 1 5 . O O -3.140 14.444 4.223 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 7 . 1112 . 1 1 5 . SD S 2.069 14.197 3.055 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 7 . 1113 . 1 1 6 PHE C C -5.917 14.031 3.446 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 7 . 1114 . 1 1 6 PHE CA C -5.579 15.520 3.393 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 7 . 1115 . 1 1 6 PHE CB C -6.662 16.261 2.612 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 7 . 1116 . 1 1 6 PHE CD1 C -8.482 16.884 4.224 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 7 . 1117 . 1 1 6 PHE CD2 C -8.891 15.101 2.693 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 7 . 1118 . 1 1 6 PHE CE1 C -9.744 16.717 4.759 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 7 . 1119 . 1 1 6 PHE CE2 C -10.155 14.930 3.224 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 7 . 1120 . 1 1 6 PHE CG C -8.042 16.081 3.184 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 7 . 1121 . 1 1 6 PHE CZ C -10.582 15.739 4.259 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 7 . 1122 . 1 1 6 PHE H H -4.223 16.328 1.984 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 7 . 1123 . 1 1 6 PHE HA H -5.543 15.908 4.398 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 7 . 1124 . 1 1 6 PHE HB2 H -6.437 17.317 2.614 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 7 . 1125 . 1 1 6 PHE HB3 H -6.667 15.902 1.595 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 7 . 1126 . 1 1 6 PHE HD1 H -7.828 17.651 4.613 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 7 . 1127 . 1 1 6 PHE HD2 H -8.557 14.467 1.884 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 7 . 1128 . 1 1 6 PHE HE1 H -10.075 17.350 5.569 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 7 . 1129 . 1 1 6 PHE HE2 H -10.807 14.163 2.832 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 7 . 1130 . 1 1 6 PHE HZ H -11.569 15.607 4.677 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 7 . 1131 . 1 1 6 PHE N N -4.276 15.748 2.772 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 7 . 1132 . 1 1 6 PHE O O -6.264 13.504 4.505 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 7 . 1133 . 1 1 7 THR C C -4.868 11.087 2.560 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 7 . 1134 . 1 1 7 THR CA C -6.100 11.931 2.218 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 7 . 1135 . 1 1 7 THR CB C -6.607 11.538 0.813 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 7 . 1136 . 1 1 7 THR CG2 C -7.958 12.177 0.523 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 7 . 1137 . 1 1 7 THR H H -5.528 13.835 1.490 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 7 . 1138 . 1 1 7 THR HA H -6.881 11.708 2.931 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 7 . 1139 . 1 1 7 THR HB H -6.719 10.464 0.776 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 7 . 1140 . 1 1 7 THR HG1 H -5.989 11.726 -1.055 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 7 . 1141 . 1 1 7 THR HG21 H -8.707 11.750 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 7 . 1142 . 1 1 7 THR HG22 H -8.228 11.995 -0.507 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 7 . 1143 . 1 1 7 THR HG23 H -7.895 13.240 0.695 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 7 . 1144 . 1 1 7 THR N N -5.811 13.359 2.299 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 7 . 1145 . 1 1 7 THR O O -4.642 10.040 1.956 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 7 . 1146 . 1 1 7 THR OG1 O -5.655 11.941 -0.182 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 7 . 1147 . 1 1 8 SER C C -3.259 9.432 4.506 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 7 . 1148 . 1 1 8 SER CA C -2.878 10.800 3.943 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 7 . 1149 . 1 1 8 SER CB C -2.078 11.592 4.980 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 7 . 1150 . 1 1 8 SER H H -4.293 12.375 3.994 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 7 . 1151 . 1 1 8 SER HA H -2.267 10.655 3.065 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 7 . 1152 . 1 1 8 SER HB2 H -1.894 12.589 4.607 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 7 . 1153 . 1 1 8 SER HB3 H -2.640 11.650 5.900 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 7 . 1154 . 1 1 8 SER HG H -0.873 10.517 6.091 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 7 . 1155 . 1 1 8 SER N N -4.073 11.538 3.536 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 7 . 1156 . 1 1 8 SER O O -2.603 8.429 4.218 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 7 . 1157 . 1 1 8 SER OG O -0.832 10.970 5.247 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 7 . 1158 . 1 1 9 ASP C C -5.805 7.429 4.980 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 7 . 1159 . 1 1 9 ASP CA C -4.802 8.140 5.894 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 7 . 1160 . 1 1 9 ASP CB C -5.433 8.390 7.271 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 7 . 1161 . 1 1 9 ASP CG C -4.427 8.830 8.326 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 7 . 1162 . 1 1 9 ASP H H -4.819 10.223 5.490 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 7 . 1163 . 1 1 9 ASP HA H -3.943 7.497 6.018 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 7 . 1164 . 1 1 9 ASP HB2 H -6.182 9.161 7.177 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 7 . 1165 . 1 1 9 ASP HB3 H -5.905 7.478 7.609 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 7 . 1166 . 1 1 9 ASP N N -4.331 9.393 5.303 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 7 . 1167 . 1 1 9 ASP O O -6.683 6.707 5.458 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 7 . 1168 . 1 1 9 ASP OD1 O -3.227 8.965 8.001 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 7 . 1169 . 1 1 9 ASP OD2 O -4.845 9.040 9.484 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 7 . 1170 . 1 1 10 PHE C C -6.308 5.459 2.709 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 7 . 1171 . 1 1 10 PHE CA C -6.551 6.968 2.704 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 7 . 1172 . 1 1 10 PHE CB C -6.340 7.542 1.296 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 7 . 1173 . 1 1 10 PHE CD1 C -3.858 7.413 0.862 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 7 . 1174 . 1 1 10 PHE CD2 C -5.315 6.015 -0.408 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 7 . 1175 . 1 1 10 PHE CE1 C -2.768 6.888 0.192 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 7 . 1176 . 1 1 10 PHE CE2 C -4.230 5.488 -1.080 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 7 . 1177 . 1 1 10 PHE CG C -5.145 6.983 0.567 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 7 . 1178 . 1 1 10 PHE CZ C -2.955 5.925 -0.780 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 7 . 1179 . 1 1 10 PHE H H -4.940 8.187 3.335 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 7 . 1180 . 1 1 10 PHE HA H -7.569 7.156 3.015 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 7 . 1181 . 1 1 10 PHE HB2 H -7.215 7.333 0.700 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 7 . 1182 . 1 1 10 PHE HB3 H -6.215 8.612 1.370 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 7 . 1183 . 1 1 10 PHE HD1 H -3.710 8.163 1.622 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 7 . 1184 . 1 1 10 PHE HD2 H -6.312 5.674 -0.646 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 7 . 1185 . 1 1 10 PHE HE1 H -1.773 7.231 0.429 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 7 . 1186 . 1 1 10 PHE HE2 H -4.379 4.734 -1.839 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 7 . 1187 . 1 1 10 PHE HZ H -2.106 5.514 -1.304 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 7 . 1188 . 1 1 10 PHE N N -5.663 7.616 3.666 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 7 . 1189 . 1 1 10 PHE O O -7.244 4.666 2.603 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 7 . 1190 . 1 1 11 . C C -4.753 3.072 4.285 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 7 . 1191 . 1 1 11 . CA C -4.644 3.672 2.873 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 7 . 1192 . 1 1 11 . CB C -3.215 3.507 2.323 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 7 . 1193 . 1 1 11 . CD1 C 0.436 4.561 4.636 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 7 . 1194 . 1 1 11 . CD2 C -0.917 6.181 5.749 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 7 . 1195 . 1 1 11 . CE1 C 1.574 5.168 5.131 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 7 . 1196 . 1 1 11 . CE2 C 0.218 6.791 6.248 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 7 . 1197 . 1 1 11 . CG C -0.822 5.060 4.938 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 7 . 1198 . 1 1 11 . CI C -2.193 4.499 2.879 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 7 . 1199 . 1 1 11 . CJ C -2.059 4.400 4.393 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 7 . 1200 . 1 1 11 . CZ C 1.466 6.285 5.938 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 7 . 1201 . 1 1 11 . HA H -5.321 3.136 2.226 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 7 . 1202 . 1 1 11 . HB H -2.870 2.510 2.552 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 7 . 1203 . 1 1 11 . HBA H -3.245 3.624 1.250 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 7 . 1204 . 1 1 11 . HD1 H 0.523 3.689 4.006 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 7 . 1205 . 1 1 11 . HD2 H -1.892 6.578 5.992 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 7 . 1206 . 1 1 11 . HE1 H 2.549 4.769 4.890 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 7 . 1207 . 1 1 11 . HE2 H 0.131 7.663 6.879 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 7 . 1208 . 1 1 11 . HI H -1.232 4.293 2.432 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 7 . 1209 . 1 1 11 . HIA H -2.500 5.502 2.619 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 7 . 1210 . 1 1 11 . HJ H -2.033 3.357 4.670 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 7 . 1211 . 1 1 11 . HJA H -2.919 4.870 4.848 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 7 . 1212 . 1 1 11 . HN H -4.343 5.763 2.928 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 7 . 1213 . 1 1 11 . HZ H 2.354 6.761 6.325 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 7 . 1214 . 1 1 11 . N N -5.036 5.077 2.841 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 7 . 1215 . 1 1 11 . O O -4.181 2.018 4.564 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 7 . 1216 . 1 1 12 NH2 HN1 H -5.936 4.562 4.912 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 7 . 1217 . 1 1 12 NH2 HN2 H -5.588 3.337 6.078 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 7 . 1218 . 1 1 12 NH2 N N -5.501 3.726 5.181 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 8 . 1219 . 1 1 1 HIS C C 3.891 21.206 4.461 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 8 . 1220 . 1 1 1 HIS CA C 4.745 22.468 4.630 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 8 . 1221 . 1 1 1 HIS CB C 5.297 22.929 3.273 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 8 . 1222 . 1 1 1 HIS CD2 C 5.209 25.385 2.442 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 8 . 1223 . 1 1 1 HIS CE1 C 3.050 25.532 2.092 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 8 . 1224 . 1 1 1 HIS CG C 4.663 24.188 2.763 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 8 . 1225 . 1 1 1 HIS H1 H 6.382 21.343 5.282 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 8 . 1226 . 1 1 1 HIS H2 H 5.555 22.134 6.528 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 8 . 1227 . 1 1 1 HIS H3 H 6.567 23.012 5.498 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 8 . 1228 . 1 1 1 HIS HA H 4.135 23.253 5.051 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 8 . 1229 . 1 1 1 HIS HB2 H 6.358 23.106 3.363 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 8 . 1230 . 1 1 1 HIS HB3 H 5.129 22.153 2.539 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 8 . 1231 . 1 1 1 HIS HD1 H 2.636 23.613 2.670 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 8 . 1232 . 1 1 1 HIS HD2 H 6.256 25.649 2.502 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 8 . 1233 . 1 1 1 HIS HE1 H 2.075 25.917 1.831 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 8 . 1234 . 1 1 1 HIS HE2 H 4.268 27.156 1.821 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 8 . 1235 . 1 1 1 HIS N N 5.892 22.222 5.548 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 8 . 1236 . 1 1 1 HIS ND1 N 3.308 24.313 2.532 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 8 . 1237 . 1 1 1 HIS NE2 N 4.186 26.202 2.029 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 8 . 1238 . 1 1 1 HIS O O 3.579 20.799 3.339 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 8 . 1239 . 1 1 2 . C C 1.343 19.594 4.902 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 8 . 1240 . 1 1 2 . CA C 2.703 19.367 5.583 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 8 . 1241 . 1 1 2 . CB C 3.467 18.244 4.863 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 8 . 1242 . 1 1 2 . CG C 2.841 16.863 4.998 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 8 . 1243 . 1 1 2 . HA H 2.533 19.074 6.607 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 8 . 1244 . 1 1 2 . HB H 3.522 18.483 3.813 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 8 . 1245 . 1 1 2 . HBA H 4.469 18.200 5.263 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 8 . 1246 . 1 1 2 . HG H 1.773 16.941 4.876 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 8 . 1247 . 1 1 2 . HGA H 3.066 16.470 5.979 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 8 . 1248 . 1 1 2 . HN H 3.800 20.961 6.451 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 8 . 1249 . 1 1 2 . N N 3.518 20.588 5.590 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 8 . 1250 . 1 1 2 . O O 0.672 18.636 4.517 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 8 . 1251 . 1 1 2 . SD S 3.473 15.689 3.758 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 8 . 1252 . 1 1 3 GLU C C -0.419 20.558 2.731 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 8 . 1253 . 1 1 3 GLU CA C -0.334 21.194 4.117 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 8 . 1254 . 1 1 3 GLU CB C -0.499 22.714 4.011 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 8 . 1255 . 1 1 3 GLU CD C -0.506 24.946 5.245 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 8 . 1256 . 1 1 3 GLU CG C -0.471 23.428 5.359 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 8 . 1257 . 1 1 3 GLU H H 1.510 21.588 5.081 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 8 . 1258 . 1 1 3 GLU HA H -1.126 20.790 4.729 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 8 . 1259 . 1 1 3 GLU HB2 H 0.300 23.108 3.400 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 8 . 1260 . 1 1 3 GLU HB3 H -1.444 22.928 3.534 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 8 . 1261 . 1 1 3 GLU HG2 H -1.328 23.111 5.932 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 8 . 1262 . 1 1 3 GLU HG3 H 0.432 23.143 5.880 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 8 . 1263 . 1 1 3 GLU N N 0.940 20.862 4.756 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 8 . 1264 . 1 1 3 GLU O O 0.088 21.104 1.748 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 8 . 1265 . 1 1 3 GLU OE1 O -0.550 25.470 4.109 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 8 . 1266 . 1 1 3 GLU OE2 O -0.483 25.614 6.299 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 8 . 1267 . 1 1 4 GLY C C -1.582 17.219 1.613 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 8 . 1268 . 1 1 4 GLY CA C -1.188 18.673 1.418 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 8 . 1269 . 1 1 4 GLY H H -1.421 19.002 3.496 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 8 . 1270 . 1 1 4 GLY HA2 H -1.940 19.162 0.816 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 8 . 1271 . 1 1 4 GLY HA3 H -0.245 18.710 0.892 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 8 . 1272 . 1 1 4 GLY N N -1.053 19.389 2.672 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 8 . 1273 . 1 1 4 GLY O O -2.424 16.699 0.878 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 8 . 1274 . 1 1 5 . C C -2.455 14.984 3.844 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 8 . 1275 . 1 1 5 . CA C -1.264 15.148 2.890 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 8 . 1276 . 1 1 5 . CB C -0.033 14.432 3.469 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 8 . 1277 . 1 1 5 . CG C 1.120 14.268 2.488 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 8 . 1278 . 1 1 5 . H H -0.311 17.033 3.160 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 8 . 1279 . 1 1 5 . HB2 H 0.328 14.992 4.319 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 8 . 1280 . 1 1 5 . HB3 H -0.332 13.449 3.802 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 8 . 1281 . 1 1 5 . HCA H -1.522 14.680 1.953 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 8 . 1282 . 1 1 5 . HG2 H 1.782 13.496 2.852 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 8 . 1283 . 1 1 5 . HG3 H 0.722 13.978 1.526 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 8 . 1284 . 1 1 5 . N N -0.971 16.558 2.606 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 8 . 1285 . 1 1 5 . O O -2.419 14.161 4.761 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 8 . 1286 . 1 1 5 . SD S 2.100 15.787 2.263 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 8 . 1287 . 1 1 6 PHE C C -5.311 14.250 4.384 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 8 . 1288 . 1 1 6 PHE CA C -4.715 15.659 4.454 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 8 . 1289 . 1 1 6 PHE CB C -5.750 16.707 4.026 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 8 . 1290 . 1 1 6 PHE CD1 C -6.894 16.450 6.258 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 8 . 1291 . 1 1 6 PHE CD2 C -8.189 17.181 4.393 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 8 . 1292 . 1 1 6 PHE CE1 C -8.013 16.520 7.065 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 8 . 1293 . 1 1 6 PHE CE2 C -9.310 17.255 5.196 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 8 . 1294 . 1 1 6 PHE CG C -6.969 16.778 4.912 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 8 . 1295 . 1 1 6 PHE CZ C -9.222 16.924 6.535 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 8 . 1296 . 1 1 6 PHE H H -3.511 16.375 2.863 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 8 . 1297 . 1 1 6 PHE HA H -4.417 15.858 5.473 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 8 . 1298 . 1 1 6 PHE HB2 H -5.286 17.681 4.030 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 8 . 1299 . 1 1 6 PHE HB3 H -6.082 16.479 3.024 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 8 . 1300 . 1 1 6 PHE HD1 H -5.950 16.133 6.675 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 8 . 1301 . 1 1 6 PHE HD2 H -8.260 17.438 3.346 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 8 . 1302 . 1 1 6 PHE HE1 H -7.942 16.262 8.112 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 8 . 1303 . 1 1 6 PHE HE2 H -10.255 17.572 4.779 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 8 . 1304 . 1 1 6 PHE HZ H -10.098 16.982 7.165 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 8 . 1305 . 1 1 6 PHE N N -3.521 15.750 3.616 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 8 . 1306 . 1 1 6 PHE O O -5.740 13.700 5.401 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 8 . 1307 . 1 1 7 THR C C -4.774 11.242 3.129 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 8 . 1308 . 1 1 7 THR CA C -5.865 12.322 2.979 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 8 . 1309 . 1 1 7 THR CB C -6.537 12.191 1.589 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 8 . 1310 . 1 1 7 THR CG2 C -7.315 10.886 1.475 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 8 . 1311 . 1 1 7 THR H H -4.968 14.157 2.408 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 8 . 1312 . 1 1 7 THR HA H -6.621 12.156 3.732 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 8 . 1313 . 1 1 7 THR HB H -5.768 12.200 0.831 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 8 . 1314 . 1 1 7 THR HG1 H -8.022 13.390 2.111 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 8 . 1315 . 1 1 7 THR HG21 H -6.890 10.153 2.143 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 8 . 1316 . 1 1 7 THR HG22 H -7.257 10.523 0.461 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 8 . 1317 . 1 1 7 THR HG23 H -8.349 11.056 1.739 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 8 . 1318 . 1 1 7 THR N N -5.328 13.669 3.179 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 8 . 1319 . 1 1 7 THR O O -4.761 10.254 2.389 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 8 . 1320 . 1 1 7 THR OG1 O -7.430 13.292 1.361 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 8 . 1321 . 1 1 8 SER C C -3.378 9.031 4.512 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 8 . 1322 . 1 1 8 SER CA C -2.798 10.436 4.334 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 8 . 1323 . 1 1 8 SER CB C -1.980 10.806 5.575 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 8 . 1324 . 1 1 8 SER H H -3.916 12.215 4.672 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 8 . 1325 . 1 1 8 SER HA H -2.149 10.437 3.472 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 8 . 1326 . 1 1 8 SER HB2 H -2.648 10.952 6.411 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 8 . 1327 . 1 1 8 SER HB3 H -1.294 10.003 5.801 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 8 . 1328 . 1 1 8 SER HG H -0.300 11.797 5.419 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 8 . 1329 . 1 1 8 SER N N -3.865 11.418 4.100 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 8 . 1330 . 1 1 8 SER O O -2.914 8.074 3.890 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 8 . 1331 . 1 1 8 SER OG O -1.239 11.993 5.374 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 8 . 1332 . 1 1 9 ASP C C -5.898 7.174 4.443 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 8 . 1333 . 1 1 9 ASP CA C -5.050 7.638 5.636 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 8 . 1334 . 1 1 9 ASP CB C -5.917 7.738 6.901 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 8 . 1335 . 1 1 9 ASP CG C -7.038 8.757 6.775 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 8 . 1336 . 1 1 9 ASP H H -4.717 9.725 5.828 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 8 . 1337 . 1 1 9 ASP HA H -4.274 6.907 5.807 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 8 . 1338 . 1 1 9 ASP HB2 H -6.357 6.773 7.106 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 8 . 1339 . 1 1 9 ASP HB3 H -5.290 8.025 7.732 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 8 . 1340 . 1 1 9 ASP N N -4.397 8.921 5.367 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 8 . 1341 . 1 1 9 ASP O O -6.948 6.550 4.621 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 8 . 1342 . 1 1 9 ASP OD1 O -6.739 9.960 6.621 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 8 . 1343 . 1 1 9 ASP OD2 O -8.216 8.350 6.829 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 8 . 1344 . 1 1 10 PHE C C -6.374 5.556 1.984 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 8 . 1345 . 1 1 10 PHE CA C -6.137 7.070 2.008 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 8 . 1346 . 1 1 10 PHE CB C -5.349 7.498 0.765 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 8 . 1347 . 1 1 10 PHE CD1 C -7.390 7.556 -0.706 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 8 . 1348 . 1 1 10 PHE CD2 C -5.395 6.573 -1.570 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 8 . 1349 . 1 1 10 PHE CE1 C -8.042 7.283 -1.893 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 8 . 1350 . 1 1 10 PHE CE2 C -6.043 6.298 -2.759 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 8 . 1351 . 1 1 10 PHE CG C -6.058 7.205 -0.531 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 8 . 1352 . 1 1 10 PHE CZ C -7.368 6.652 -2.921 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 8 . 1353 . 1 1 10 PHE H H -4.584 7.962 3.144 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 8 . 1354 . 1 1 10 PHE HA H -7.094 7.571 2.004 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 8 . 1355 . 1 1 10 PHE HB2 H -5.167 8.561 0.811 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 8 . 1356 . 1 1 10 PHE HB3 H -4.403 6.977 0.752 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 8 . 1357 . 1 1 10 PHE HD1 H -7.918 8.050 0.096 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 8 . 1358 . 1 1 10 PHE HD2 H -4.359 6.295 -1.446 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 8 . 1359 . 1 1 10 PHE HE1 H -9.079 7.561 -2.017 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 8 . 1360 . 1 1 10 PHE HE2 H -5.514 5.805 -3.561 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 8 . 1361 . 1 1 10 PHE HZ H -7.877 6.437 -3.849 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 8 . 1362 . 1 1 10 PHE N N -5.429 7.469 3.225 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 8 . 1363 . 1 1 10 PHE O O -7.414 5.092 1.513 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 8 . 1364 . 1 1 11 . C C -6.777 2.888 3.261 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 8 . 1365 . 1 1 11 . CA C -5.495 3.336 2.550 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 8 . 1366 . 1 1 11 . CB C -4.271 2.748 3.266 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 8 . 1367 . 1 1 11 . CD1 C -4.816 -1.690 2.873 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 8 . 1368 . 1 1 11 . CD2 C -5.750 -0.993 0.791 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 8 . 1369 . 1 1 11 . CE1 C -5.493 -2.891 2.777 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 8 . 1370 . 1 1 11 . CE2 C -6.430 -2.192 0.691 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 8 . 1371 . 1 1 11 . CG C -4.936 -0.727 1.882 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 8 . 1372 . 1 1 11 . CI C -4.286 1.229 3.360 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 8 . 1373 . 1 1 11 . CJ C -4.195 0.577 1.988 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 8 . 1374 . 1 1 11 . CZ C -6.301 -3.142 1.686 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 8 . 1375 . 1 1 11 . HA H -5.516 2.969 1.534 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 8 . 1376 . 1 1 11 . HB H -3.380 3.045 2.733 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 8 . 1377 . 1 1 11 . HBA H -4.230 3.149 4.268 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 8 . 1378 . 1 1 11 . HD1 H -4.186 -1.495 3.727 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 8 . 1379 . 1 1 11 . HD2 H -5.852 -0.251 0.013 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 8 . 1380 . 1 1 11 . HE1 H -5.390 -3.632 3.556 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 8 . 1381 . 1 1 11 . HE2 H -7.060 -2.386 -0.164 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 8 . 1382 . 1 1 11 . HI H -3.446 0.907 3.958 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 8 . 1383 . 1 1 11 . HIA H -5.206 0.919 3.834 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 8 . 1384 . 1 1 11 . HJ H -3.155 0.390 1.763 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 8 . 1385 . 1 1 11 . HJA H -4.602 1.255 1.253 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 8 . 1386 . 1 1 11 . HN H -4.600 5.231 2.861 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 8 . 1387 . 1 1 11 . HZ H -6.830 -4.080 1.610 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 8 . 1388 . 1 1 11 . N N -5.402 4.796 2.501 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 8 . 1389 . 1 1 11 . O O -7.463 1.972 2.805 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 8 . 1390 . 1 1 12 NH2 HN1 H -6.510 4.251 4.690 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 8 . 1391 . 1 1 12 NH2 HN2 H -7.913 3.256 4.854 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 8 . 1392 . 1 1 12 NH2 N N -7.098 3.531 4.381 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 9 . 1393 . 1 1 1 HIS C C 3.114 17.688 5.586 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 9 . 1394 . 1 1 1 HIS CA C 4.381 17.967 6.396 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 9 . 1395 . 1 1 1 HIS CB C 4.660 19.475 6.459 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 9 . 1396 . 1 1 1 HIS CD2 C 4.152 20.922 8.551 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 9 . 1397 . 1 1 1 HIS CE1 C 1.970 21.000 8.375 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 9 . 1398 . 1 1 1 HIS CG C 3.809 20.215 7.448 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 9 . 1399 . 1 1 1 HIS H1 H 6.408 17.465 6.352 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 9 . 1400 . 1 1 1 HIS H2 H 5.720 17.667 4.820 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 9 . 1401 . 1 1 1 HIS H3 H 5.392 16.271 5.717 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 9 . 1402 . 1 1 1 HIS HA H 4.252 17.585 7.398 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 9 . 1403 . 1 1 1 HIS HB2 H 5.693 19.630 6.733 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 9 . 1404 . 1 1 1 HIS HB3 H 4.486 19.905 5.483 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 9 . 1405 . 1 1 1 HIS HD1 H 1.881 19.870 6.676 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 9 . 1406 . 1 1 1 HIS HD2 H 5.154 21.082 8.924 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 9 . 1407 . 1 1 1 HIS HE1 H 0.930 21.222 8.567 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 9 . 1408 . 1 1 1 HIS HE2 H 2.922 21.858 9.971 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 9 . 1409 . 1 1 1 HIS N N 5.557 17.296 5.778 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 9 . 1410 . 1 1 1 HIS ND1 N 2.434 20.283 7.367 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 9 . 1411 . 1 1 1 HIS NE2 N 2.992 21.399 9.108 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 9 . 1412 . 1 1 1 HIS O O 3.136 17.743 4.354 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 9 . 1413 . 1 1 2 . C C 0.013 18.334 5.115 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 9 . 1414 . 1 1 2 . CA C 0.722 17.078 5.652 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 9 . 1415 . 1 1 2 . CB C 0.882 16.037 4.536 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 9 . 1416 . 1 1 2 . CG C 1.681 14.806 4.937 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 9 . 1417 . 1 1 2 . HA H 0.089 16.656 6.416 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 9 . 1418 . 1 1 2 . HB H -0.100 15.707 4.236 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 9 . 1419 . 1 1 2 . HBA H 1.371 16.500 3.692 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 9 . 1420 . 1 1 2 . HG H 1.279 14.413 5.860 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 9 . 1421 . 1 1 2 . HGA H 2.712 15.090 5.084 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 9 . 1422 . 1 1 2 . HN H 2.076 17.353 7.265 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 9 . 1423 . 1 1 2 . N N 2.016 17.382 6.287 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 9 . 1424 . 1 1 2 . O O -1.220 18.393 5.119 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 9 . 1425 . 1 1 2 . SD S 1.633 13.475 3.684 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 9 . 1426 . 1 1 3 GLU C C -0.621 20.325 2.876 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 9 . 1427 . 1 1 3 GLU CA C 0.198 20.573 4.141 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 9 . 1428 . 1 1 3 GLU CB C 1.296 21.613 3.879 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 9 . 1429 . 1 1 3 GLU CD C 3.516 22.151 2.788 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 9 . 1430 . 1 1 3 GLU CG C 2.407 21.130 2.954 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 9 . 1431 . 1 1 3 GLU H H 1.748 19.240 4.677 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 9 . 1432 . 1 1 3 GLU HA H -0.465 20.958 4.902 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 9 . 1433 . 1 1 3 GLU HB2 H 0.846 22.488 3.434 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 9 . 1434 . 1 1 3 GLU HB3 H 1.741 21.892 4.823 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 9 . 1435 . 1 1 3 GLU HG2 H 2.831 20.225 3.363 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 9 . 1436 . 1 1 3 GLU HG3 H 1.983 20.920 1.983 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 9 . 1437 . 1 1 3 GLU N N 0.778 19.333 4.659 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 9 . 1438 . 1 1 3 GLU O O -0.070 20.111 1.794 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 9 . 1439 . 1 1 3 GLU OE1 O 3.238 23.256 2.275 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 9 . 1440 . 1 1 3 GLU OE2 O 4.665 21.846 3.172 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 9 . 1441 . 1 1 4 GLY C C -2.572 18.793 1.226 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 9 . 1442 . 1 1 4 GLY CA C -2.843 20.118 1.906 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 9 . 1443 . 1 1 4 GLY H H -2.319 20.511 3.924 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 9 . 1444 . 1 1 4 GLY HA2 H -3.862 20.128 2.262 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 9 . 1445 . 1 1 4 GLY HA3 H -2.715 20.911 1.186 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 9 . 1446 . 1 1 4 GLY N N -1.947 20.348 3.031 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 9 . 1447 . 1 1 4 GLY O O -2.585 18.700 -0.003 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 9 . 1448 . 1 1 5 . C C -2.936 15.411 2.197 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 9 . 1449 . 1 1 5 . CA C -2.014 16.438 1.535 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 9 . 1450 . 1 1 5 . CB C -0.534 16.137 1.789 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 9 . 1451 . 1 1 5 . CG C -0.094 14.711 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 9 . 1452 . 1 1 5 . H H -2.305 17.924 3.008 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 9 . 1453 . 1 1 5 . HB2 H 0.058 16.797 1.172 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 9 . 1454 . 1 1 5 . HB3 H -0.320 16.353 2.818 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 9 . 1455 . 1 1 5 . HCA H -2.197 16.433 0.470 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 9 . 1456 . 1 1 5 . HG2 H -0.683 14.028 2.089 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 9 . 1457 . 1 1 5 . HG3 H -0.240 14.505 0.447 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 9 . 1458 . 1 1 5 . N N -2.311 17.772 2.036 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 9 . 1459 . 1 1 5 . O O -2.511 14.611 3.035 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 9 . 1460 . 1 1 5 . SD S 1.666 14.438 1.894 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 9 . 1461 . 1 1 6 PHE C C -4.839 13.096 2.230 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 9 . 1462 . 1 1 6 PHE CA C -5.241 14.569 2.358 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 9 . 1463 . 1 1 6 PHE CB C -6.580 14.809 1.649 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 9 . 1464 . 1 1 6 PHE CD1 C -7.935 13.974 3.595 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 9 . 1465 . 1 1 6 PHE CD2 C -8.594 13.330 1.395 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 9 . 1466 . 1 1 6 PHE CE1 C -8.987 13.254 4.126 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 9 . 1467 . 1 1 6 PHE CE2 C -9.649 12.608 1.921 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 9 . 1468 . 1 1 6 PHE CG C -7.726 14.021 2.225 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 9 . 1469 . 1 1 6 PHE CZ C -9.845 12.570 3.287 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 9 . 1470 . 1 1 6 PHE H H -4.481 16.143 1.156 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 9 . 1471 . 1 1 6 PHE HA H -5.359 14.803 3.405 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 9 . 1472 . 1 1 6 PHE HB2 H -6.832 15.856 1.717 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 9 . 1473 . 1 1 6 PHE HB3 H -6.479 14.537 0.608 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 9 . 1474 . 1 1 6 PHE HD1 H -7.265 14.509 4.252 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 9 . 1475 . 1 1 6 PHE HD2 H -8.442 13.359 0.326 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 9 . 1476 . 1 1 6 PHE HE1 H -9.139 13.225 5.195 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 9 . 1477 . 1 1 6 PHE HE2 H -10.318 12.073 1.263 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 9 . 1478 . 1 1 6 PHE HZ H -10.669 12.005 3.700 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 9 . 1479 . 1 1 6 PHE N N -4.215 15.466 1.816 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 9 . 1480 . 1 1 6 PHE O O -5.226 12.274 3.062 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 9 . 1481 . 1 1 7 THR C C -3.043 10.762 2.229 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 9 . 1482 . 1 1 7 THR CA C -3.611 11.395 0.955 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 9 . 1483 . 1 1 7 THR CB C -2.540 11.331 -0.155 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 9 . 1484 . 1 1 7 THR CG2 C -3.121 11.754 -1.497 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 9 . 1485 . 1 1 7 THR H H -3.793 13.471 0.559 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 9 . 1486 . 1 1 7 THR HA H -4.464 10.817 0.633 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 9 . 1487 . 1 1 7 THR HB H -2.192 10.311 -0.238 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 9 . 1488 . 1 1 7 THR HG1 H -0.760 11.661 0.631 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 9 . 1489 . 1 1 7 THR HG21 H -2.403 11.554 -2.279 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 9 . 1490 . 1 1 7 THR HG22 H -3.345 12.810 -1.476 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 9 . 1491 . 1 1 7 THR HG23 H -4.026 11.197 -1.689 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 9 . 1492 . 1 1 7 THR N N -4.065 12.770 1.188 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 9 . 1493 . 1 1 7 THR O O -3.253 9.574 2.481 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 9 . 1494 . 1 1 7 THR OG1 O -1.431 12.176 0.178 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 9 . 1495 . 1 1 8 SER C C -2.743 10.314 5.118 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 9 . 1496 . 1 1 8 SER CA C -1.732 11.097 4.280 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 9 . 1497 . 1 1 8 SER CB C -1.201 12.285 5.088 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 9 . 1498 . 1 1 8 SER H H -2.205 12.503 2.764 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 9 . 1499 . 1 1 8 SER HA H -0.909 10.447 4.030 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 9 . 1500 . 1 1 8 SER HB2 H -0.484 12.829 4.494 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 9 . 1501 . 1 1 8 SER HB3 H -2.022 12.937 5.347 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 9 . 1502 . 1 1 8 SER HG H 0.094 12.494 6.544 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 9 . 1503 . 1 1 8 SER N N -2.330 11.566 3.026 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 9 . 1504 . 1 1 8 SER O O -2.420 9.256 5.662 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 9 . 1505 . 1 1 8 SER OG O -0.569 11.852 6.281 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 9 . 1506 . 1 1 9 ASP C C -5.272 8.767 5.469 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 9 . 1507 . 1 1 9 ASP CA C -5.034 10.192 5.969 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 9 . 1508 . 1 1 9 ASP CB C -6.327 11.009 5.865 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 9 . 1509 . 1 1 9 ASP CG C -7.490 10.366 6.599 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 9 . 1510 . 1 1 9 ASP H H -4.156 11.681 4.744 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 9 . 1511 . 1 1 9 ASP HA H -4.726 10.151 7.001 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 9 . 1512 . 1 1 9 ASP HB2 H -6.160 11.989 6.287 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 9 . 1513 . 1 1 9 ASP HB3 H -6.596 11.114 4.824 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 9 . 1514 . 1 1 9 ASP N N -3.966 10.839 5.208 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 9 . 1515 . 1 1 9 ASP O O -5.319 7.826 6.264 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 9 . 1516 . 1 1 9 ASP OD1 O -7.395 10.195 7.833 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 9 . 1517 . 1 1 9 ASP OD2 O -8.496 10.033 5.938 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 9 . 1518 . 1 1 10 PHE C C -4.354 6.472 3.575 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 9 . 1519 . 1 1 10 PHE CA C -5.626 7.317 3.521 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 9 . 1520 . 1 1 10 PHE CB C -6.100 7.486 2.071 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 9 . 1521 . 1 1 10 PHE CD1 C -8.048 8.936 2.747 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 9 . 1522 . 1 1 10 PHE CD2 C -8.372 7.329 1.015 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 9 . 1523 . 1 1 10 PHE CE1 C -9.364 9.335 2.627 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 9 . 1524 . 1 1 10 PHE CE2 C -9.690 7.725 0.891 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 9 . 1525 . 1 1 10 PHE CG C -7.535 7.928 1.943 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 9 . 1526 . 1 1 10 PHE CZ C -10.187 8.728 1.699 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 9 . 1527 . 1 1 10 PHE H H -5.343 9.417 3.576 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 9 . 1528 . 1 1 10 PHE HA H -6.397 6.811 4.083 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 9 . 1529 . 1 1 10 PHE HB2 H -5.482 8.224 1.582 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 9 . 1530 . 1 1 10 PHE HB3 H -5.996 6.542 1.555 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 9 . 1531 . 1 1 10 PHE HD1 H -7.408 9.413 3.473 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 9 . 1532 . 1 1 10 PHE HD2 H -7.986 6.543 0.383 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 9 . 1533 . 1 1 10 PHE HE1 H -9.751 10.119 3.260 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 9 . 1534 . 1 1 10 PHE HE2 H -10.331 7.249 0.164 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 9 . 1535 . 1 1 10 PHE HZ H -11.217 9.039 1.604 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 9 . 1536 . 1 1 10 PHE N N -5.406 8.622 4.147 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 9 . 1537 . 1 1 10 PHE O O -3.722 6.199 2.553 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 9 . 1538 . 1 1 11 . C C -2.479 5.155 6.496 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 9 . 1539 . 1 1 11 . CA C -2.781 5.279 5.000 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 9 . 1540 . 1 1 11 . CB C -1.597 5.909 4.252 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 9 . 1541 . 1 1 11 . CD1 C 0.305 7.596 6.879 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 9 . 1542 . 1 1 11 . CD2 C 1.723 7.466 4.965 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 9 . 1543 . 1 1 11 . CE1 C 0.653 8.922 7.049 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 9 . 1544 . 1 1 11 . CE2 C 2.074 8.791 5.131 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 9 . 1545 . 1 1 11 . CG C 0.835 6.853 5.836 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 9 . 1546 . 1 1 11 . CI C -0.291 5.127 4.353 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 9 . 1547 . 1 1 11 . CJ C 0.454 5.409 5.652 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 9 . 1548 . 1 1 11 . CZ C 1.539 9.521 6.174 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 9 . 1549 . 1 1 11 . HA H -2.965 4.293 4.600 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 9 . 1550 . 1 1 11 . HB H -1.856 5.993 3.207 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 9 . 1551 . 1 1 11 . HBA H -1.427 6.900 4.648 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 9 . 1552 . 1 1 11 . HD1 H -0.386 7.129 7.564 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 9 . 1553 . 1 1 11 . HD2 H 2.142 6.896 4.149 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 9 . 1554 . 1 1 11 . HE1 H 0.233 9.491 7.866 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 9 . 1555 . 1 1 11 . HE2 H 2.767 9.257 4.445 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 9 . 1556 . 1 1 11 . HI H -0.514 4.071 4.303 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 9 . 1557 . 1 1 11 . HIA H 0.342 5.400 3.522 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 9 . 1558 . 1 1 11 . HJ H 1.359 4.821 5.664 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 9 . 1559 . 1 1 11 . HJA H -0.170 5.119 6.482 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 9 . 1560 . 1 1 11 . HN H -4.524 6.338 5.556 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 9 . 1561 . 1 1 11 . HZ H 1.812 10.557 6.306 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 9 . 1562 . 1 1 11 . N N -3.980 6.077 4.785 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 9 . 1563 . 1 1 11 . O O -2.035 4.106 6.963 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 9 . 1564 . 1 1 12 NH2 HN1 H -3.080 7.033 6.819 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 9 . 1565 . 1 1 12 NH2 HN2 H -2.539 6.164 8.213 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 9 . 1566 . 1 1 12 NH2 N N -2.724 6.226 7.253 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 10 . 1567 . 1 1 1 HIS C C 3.108 18.052 6.257 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 10 . 1568 . 1 1 1 HIS CA C 3.599 17.737 7.672 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 10 . 1569 . 1 1 1 HIS CB C 2.709 18.431 8.720 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 10 . 1570 . 1 1 1 HIS CD2 C 3.590 20.796 8.050 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 10 . 1571 . 1 1 1 HIS CE1 C 2.401 21.983 9.456 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 10 . 1572 . 1 1 1 HIS CG C 2.825 19.931 8.763 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 10 . 1573 . 1 1 1 HIS H1 H 5.281 18.884 7.182 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 10 . 1574 . 1 1 1 HIS H2 H 5.649 17.337 7.752 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 10 . 1575 . 1 1 1 HIS H3 H 5.150 18.537 8.833 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 10 . 1576 . 1 1 1 HIS HA H 3.543 16.668 7.823 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 10 . 1577 . 1 1 1 HIS HB2 H 1.677 18.191 8.512 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 10 . 1578 . 1 1 1 HIS HB3 H 2.965 18.051 9.698 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 10 . 1579 . 1 1 1 HIS HD1 H 1.441 20.381 10.290 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 10 . 1580 . 1 1 1 HIS HD2 H 4.293 20.537 7.271 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 10 . 1581 . 1 1 1 HIS HE1 H 1.984 22.818 10.000 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 10 . 1582 . 1 1 1 HIS HE2 H 3.762 22.881 8.217 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 10 . 1583 . 1 1 1 HIS N N 5.018 18.154 7.874 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 10 . 1584 . 1 1 1 HIS ND1 N 2.092 20.711 9.636 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 10 . 1585 . 1 1 1 HIS NE2 N 3.307 22.060 8.500 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 10 . 1586 . 1 1 1 HIS O O 3.276 19.170 5.768 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 10 . 1587 . 1 1 2 . C C 0.650 17.964 4.233 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 10 . 1588 . 1 1 2 . CA C 1.961 17.177 4.254 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 10 . 1589 . 1 1 2 . CB C 2.985 17.832 3.313 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 10 . 1590 . 1 1 2 . CG C 2.435 18.164 1.932 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 10 . 1591 . 1 1 2 . HA H 1.759 16.178 3.895 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 10 . 1592 . 1 1 2 . HB H 3.335 18.749 3.760 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 10 . 1593 . 1 1 2 . HBA H 3.822 17.161 3.190 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 10 . 1594 . 1 1 2 . HG H 3.197 18.682 1.368 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 10 . 1595 . 1 1 2 . HGA H 1.572 18.803 2.043 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 10 . 1596 . 1 1 2 . HN H 2.399 16.192 6.075 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 10 . 1597 . 1 1 2 . N N 2.497 17.049 5.615 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 10 . 1598 . 1 1 2 . O O -0.362 17.466 3.739 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 10 . 1599 . 1 1 2 . SD S 1.927 16.693 0.982 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 10 . 1600 . 1 1 3 GLU C C -1.044 20.257 3.366 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 10 . 1601 . 1 1 3 GLU CA C -0.516 20.044 4.787 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 10 . 1602 . 1 1 3 GLU CB C -0.187 21.393 5.443 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 10 . 1603 . 1 1 3 GLU CD C -2.477 21.889 6.458 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 10 . 1604 . 1 1 3 GLU CG C -1.370 22.354 5.520 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 10 . 1605 . 1 1 3 GLU H H 1.513 19.534 5.134 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 10 . 1606 . 1 1 3 GLU HA H -1.273 19.541 5.370 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 10 . 1607 . 1 1 3 GLU HB2 H 0.165 21.212 6.448 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 10 . 1608 . 1 1 3 GLU HB3 H 0.600 21.871 4.879 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 10 . 1609 . 1 1 3 GLU HG2 H -1.012 23.311 5.867 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 10 . 1610 . 1 1 3 GLU HG3 H -1.784 22.468 4.528 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 10 . 1611 . 1 1 3 GLU N N 0.674 19.192 4.761 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 10 . 1612 . 1 1 3 GLU O O -0.529 21.092 2.619 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 10 . 1613 . 1 1 3 GLU OE1 O -2.311 20.842 7.124 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 10 . 1614 . 1 1 3 GLU OE2 O -3.513 22.583 6.532 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 10 . 1615 . 1 1 4 GLY C C -3.008 18.197 1.110 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 10 . 1616 . 1 1 4 GLY CA C -2.631 19.562 1.664 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 10 . 1617 . 1 1 4 GLY H H -2.411 18.817 3.634 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 10 . 1618 . 1 1 4 GLY HA2 H -3.515 20.181 1.702 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 10 . 1619 . 1 1 4 GLY HA3 H -1.911 20.020 1.002 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 10 . 1620 . 1 1 4 GLY N N -2.058 19.474 2.998 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 10 . 1621 . 1 1 4 GLY O O -4.001 18.065 0.391 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 10 . 1622 . 1 1 5 . C C -3.072 14.997 2.148 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 10 . 1623 . 1 1 5 . CA C -2.462 15.808 1.011 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 10 . 1624 . 1 1 5 . CB C -1.164 15.142 0.530 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 10 . 1625 . 1 1 5 . CG C -0.494 15.845 -0.641 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 10 . 1626 . 1 1 5 . H H -1.455 17.347 2.047 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 10 . 1627 . 1 1 5 . HB2 H -0.463 15.117 1.351 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 10 . 1628 . 1 1 5 . HB3 H -1.386 14.128 0.231 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 10 . 1629 . 1 1 5 . HCA H -3.165 15.846 0.192 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 10 . 1630 . 1 1 5 . HG2 H 0.222 15.173 -1.090 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 10 . 1631 . 1 1 5 . HG3 H -1.248 16.108 -1.369 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 10 . 1632 . 1 1 5 . N N -2.215 17.177 1.458 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 10 . 1633 . 1 1 5 . O O -2.616 13.894 2.460 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 10 . 1634 . 1 1 5 . SD S 0.387 17.367 -0.159 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 10 . 1635 . 1 1 6 PHE C C -5.241 13.499 3.512 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 10 . 1636 . 1 1 6 PHE CA C -4.788 14.912 3.884 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 10 . 1637 . 1 1 6 PHE CB C -5.991 15.742 4.343 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 10 . 1638 . 1 1 6 PHE CD1 C -5.253 18.138 4.068 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 10 . 1639 . 1 1 6 PHE CD2 C -5.711 17.332 6.266 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 10 . 1640 . 1 1 6 PHE CE1 C -4.939 19.380 4.587 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 10 . 1641 . 1 1 6 PHE CE2 C -5.397 18.572 6.788 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 10 . 1642 . 1 1 6 PHE CG C -5.644 17.099 4.901 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 10 . 1643 . 1 1 6 PHE CZ C -5.011 19.596 5.948 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 10 . 1644 . 1 1 6 PHE H H -4.413 16.439 2.472 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 10 . 1645 . 1 1 6 PHE HA H -4.085 14.842 4.701 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 10 . 1646 . 1 1 6 PHE HB2 H -6.657 15.889 3.507 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 10 . 1647 . 1 1 6 PHE HB3 H -6.507 15.195 5.109 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 10 . 1648 . 1 1 6 PHE HD1 H -5.199 17.974 3.003 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 10 . 1649 . 1 1 6 PHE HD2 H -6.013 16.532 6.925 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 10 . 1650 . 1 1 6 PHE HE1 H -4.636 20.181 3.928 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 10 . 1651 . 1 1 6 PHE HE2 H -5.454 18.739 7.854 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 10 . 1652 . 1 1 6 PHE HZ H -4.766 20.565 6.355 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 10 . 1653 . 1 1 6 PHE N N -4.105 15.561 2.770 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 10 . 1654 . 1 1 6 PHE O O -5.150 12.580 4.326 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 10 . 1655 . 1 1 7 THR C C -5.084 10.974 1.928 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 10 . 1656 . 1 1 7 THR CA C -6.181 12.032 1.791 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 10 . 1657 . 1 1 7 THR CB C -6.627 12.107 0.315 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 10 . 1658 . 1 1 7 THR CG2 C -7.151 10.762 -0.169 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 10 . 1659 . 1 1 7 THR H H -5.763 14.106 1.673 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 10 . 1660 . 1 1 7 THR HA H -7.029 11.735 2.388 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 10 . 1661 . 1 1 7 THR HB H -5.774 12.382 -0.289 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 10 . 1662 . 1 1 7 THR HG1 H -7.541 13.538 -0.688 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 10 . 1663 . 1 1 7 THR HG21 H -6.319 10.100 -0.360 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 10 . 1664 . 1 1 7 THR HG22 H -7.716 10.902 -1.079 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 10 . 1665 . 1 1 7 THR HG23 H -7.788 10.330 0.588 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 10 . 1666 . 1 1 7 THR N N -5.721 13.334 2.276 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 10 . 1667 . 1 1 7 THR O O -5.346 9.854 2.372 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 10 . 1668 . 1 1 7 THR OG1 O -7.647 13.100 0.160 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 10 . 1669 . 1 1 8 SER C C -2.587 9.841 3.038 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 10 . 1670 . 1 1 8 SER CA C -2.711 10.432 1.635 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 10 . 1671 . 1 1 8 SER CB C -1.418 11.164 1.262 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 10 . 1672 . 1 1 8 SER H H -3.715 12.252 1.213 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 10 . 1673 . 1 1 8 SER HA H -2.875 9.629 0.934 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 10 . 1674 . 1 1 8 SER HB2 H -1.515 11.577 0.268 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 10 . 1675 . 1 1 8 SER HB3 H -1.243 11.962 1.968 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 10 . 1676 . 1 1 8 SER HG H 0.257 10.458 0.526 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 10 . 1677 . 1 1 8 SER N N -3.855 11.342 1.551 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 10 . 1678 . 1 1 8 SER O O -2.340 8.644 3.197 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 10 . 1679 . 1 1 8 SER OG O -0.306 10.284 1.284 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 10 . 1680 . 1 1 9 ASP C C -3.726 9.172 5.735 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 10 . 1681 . 1 1 9 ASP CA C -2.691 10.258 5.445 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 10 . 1682 . 1 1 9 ASP CB C -2.905 11.446 6.392 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 10 . 1683 . 1 1 9 ASP CG C -1.849 12.527 6.233 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 10 . 1684 . 1 1 9 ASP H H -2.970 11.629 3.854 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 10 . 1685 . 1 1 9 ASP HA H -1.706 9.851 5.610 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 10 . 1686 . 1 1 9 ASP HB2 H -3.871 11.886 6.194 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 10 . 1687 . 1 1 9 ASP HB3 H -2.881 11.092 7.412 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 10 . 1688 . 1 1 9 ASP N N -2.770 10.690 4.051 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 10 . 1689 . 1 1 9 ASP O O -3.418 8.168 6.379 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 10 . 1690 . 1 1 9 ASP OD1 O -1.791 13.150 5.152 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 10 . 1691 . 1 1 9 ASP OD2 O -1.079 12.748 7.191 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 10 . 1692 . 1 1 10 PHE C C -5.680 7.078 4.780 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 10 . 1693 . 1 1 10 PHE CA C -6.035 8.414 5.428 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 10 . 1694 . 1 1 10 PHE CB C -7.351 8.960 4.851 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 10 . 1695 . 1 1 10 PHE CD1 C -7.221 11.133 6.128 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 10 . 1696 . 1 1 10 PHE CD2 C -9.328 10.027 5.972 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 10 . 1697 . 1 1 10 PHE CE1 C -7.802 12.140 6.875 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 10 . 1698 . 1 1 10 PHE CE2 C -9.914 11.032 6.718 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 10 . 1699 . 1 1 10 PHE CG C -7.976 10.064 5.667 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 10 . 1700 . 1 1 10 PHE CZ C -9.150 12.089 7.170 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 10 . 1701 . 1 1 10 PHE H H -5.122 10.191 4.719 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 10 . 1702 . 1 1 10 PHE HA H -6.155 8.261 6.491 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 10 . 1703 . 1 1 10 PHE HB2 H -7.165 9.348 3.861 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 10 . 1704 . 1 1 10 PHE HB3 H -8.065 8.152 4.783 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 10 . 1705 . 1 1 10 PHE HD1 H -6.168 11.177 5.900 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 10 . 1706 . 1 1 10 PHE HD2 H -9.928 9.201 5.621 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 10 . 1707 . 1 1 10 PHE HE1 H -7.203 12.966 7.227 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 10 . 1708 . 1 1 10 PHE HE2 H -10.968 10.990 6.948 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 10 . 1709 . 1 1 10 PHE HZ H -9.606 12.876 7.754 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 10 . 1710 . 1 1 10 PHE N N -4.950 9.377 5.238 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 10 . 1711 . 1 1 10 PHE O O -6.466 6.501 4.026 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 10 . 1712 . 1 1 11 . C C -2.610 4.990 5.083 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 10 . 1713 . 1 1 11 . CA C -3.997 5.334 4.531 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 10 . 1714 . 1 1 11 . CB C -3.951 5.408 3.001 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 10 . 1715 . 1 1 11 . CD1 C -1.232 5.272 0.406 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 10 . 1716 . 1 1 11 . CD2 C -1.659 3.092 -0.464 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 10 . 1717 . 1 1 11 . CE1 C 0.045 5.236 -0.122 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 10 . 1718 . 1 1 11 . CE2 C -0.383 3.051 -0.995 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 10 . 1719 . 1 1 11 . CG C -2.098 4.202 0.242 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 10 . 1720 . 1 1 11 . CI C -3.526 4.108 2.334 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 10 . 1721 . 1 1 11 . CJ C -3.486 4.243 0.819 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 10 . 1722 . 1 1 11 . CZ C 0.470 4.124 -0.823 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 10 . 1723 . 1 1 11 . HA H -4.689 4.559 4.825 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 10 . 1724 . 1 1 11 . HB H -4.934 5.668 2.637 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 10 . 1725 . 1 1 11 . HBA H -3.254 6.180 2.711 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 10 . 1726 . 1 1 11 . HD1 H -1.562 6.142 0.954 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 10 . 1727 . 1 1 11 . HD2 H -2.325 2.253 -0.599 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 10 . 1728 . 1 1 11 . HE1 H 0.710 6.076 0.013 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 10 . 1729 . 1 1 11 . HE2 H -0.054 2.181 -1.543 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 10 . 1730 . 1 1 11 . HI H -2.542 3.838 2.688 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 10 . 1731 . 1 1 11 . HIA H -4.231 3.332 2.598 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 10 . 1732 . 1 1 11 . HJ H -3.937 5.185 0.543 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 10 . 1733 . 1 1 11 . HJA H -4.054 3.434 0.385 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 10 . 1734 . 1 1 11 . HN H -3.903 7.108 5.684 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 10 . 1735 . 1 1 11 . HZ H 1.467 4.094 -1.237 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 10 . 1736 . 1 1 11 . N N -4.480 6.597 5.080 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 10 . 1737 . 1 1 11 . O O -2.331 3.837 5.409 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 10 . 1738 . 1 1 12 NH2 HN1 H -2.023 6.889 4.906 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 10 . 1739 . 1 1 12 NH2 HN2 H -0.843 5.792 5.529 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 10 . 1740 . 1 1 12 NH2 N N -1.737 5.992 5.183 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 11 . 1741 . 1 1 1 HIS C C 3.837 20.567 5.306 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 11 . 1742 . 1 1 1 HIS CA C 4.398 21.563 6.322 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 11 . 1743 . 1 1 1 HIS CB C 3.832 22.962 6.053 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 11 . 1744 . 1 1 1 HIS CD2 C 5.051 25.080 6.928 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 11 . 1745 . 1 1 1 HIS CE1 C 4.412 24.978 9.021 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 11 . 1746 . 1 1 1 HIS CG C 4.258 23.990 7.058 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 11 . 1747 . 1 1 1 HIS H1 H 6.273 21.938 7.163 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 11 . 1748 . 1 1 1 HIS H2 H 6.178 22.309 5.516 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 11 . 1749 . 1 1 1 HIS H3 H 6.275 20.695 6.015 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 11 . 1750 . 1 1 1 HIS HA H 4.116 21.250 7.317 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 11 . 1751 . 1 1 1 HIS HB2 H 4.162 23.294 5.080 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 11 . 1752 . 1 1 1 HIS HB3 H 2.753 22.913 6.064 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 11 . 1753 . 1 1 1 HIS HD1 H 3.291 23.283 8.791 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 11 . 1754 . 1 1 1 HIS HD2 H 5.532 25.418 6.021 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 11 . 1755 . 1 1 1 HIS HE1 H 4.285 25.205 10.069 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 11 . 1756 . 1 1 1 HIS HE2 H 5.761 26.387 8.406 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 11 . 1757 . 1 1 1 HIS N N 5.884 21.631 6.248 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 11 . 1758 . 1 1 1 HIS ND1 N 3.874 23.955 8.382 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 11 . 1759 . 1 1 1 HIS NE2 N 5.132 25.676 8.162 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 11 . 1760 . 1 1 1 HIS O O 3.924 20.792 4.098 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 11 . 1761 . 1 1 2 . C C 1.204 18.732 4.610 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 11 . 1762 . 1 1 2 . CA C 2.660 18.413 4.982 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 11 . 1763 . 1 1 2 . CB C 3.494 18.166 3.716 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 11 . 1764 . 1 1 2 . CG C 3.126 16.886 2.980 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 11 . 1765 . 1 1 2 . HA H 2.661 17.508 5.571 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 11 . 1766 . 1 1 2 . HB H 3.352 18.995 3.038 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 11 . 1767 . 1 1 2 . HBA H 4.537 18.111 3.991 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 11 . 1768 . 1 1 2 . HG H 3.784 16.767 2.132 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 11 . 1769 . 1 1 2 . HGA H 2.104 16.956 2.641 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 11 . 1770 . 1 1 2 . HN H 3.223 19.369 6.791 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 11 . 1771 . 1 1 2 . N N 3.256 19.470 5.817 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 11 . 1772 . 1 1 2 . O O 0.442 17.828 4.248 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 11 . 1773 . 1 1 2 . SD S 3.276 15.402 4.031 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 11 . 1774 . 1 1 3 GLU C C -0.860 20.179 2.914 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 11 . 1775 . 1 1 3 GLU CA C -0.544 20.431 4.384 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 11 . 1776 . 1 1 3 GLU CB C -0.744 21.914 4.722 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 11 . 1777 . 1 1 3 GLU CD C -0.697 23.720 6.496 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 11 . 1778 . 1 1 3 GLU CG C -0.514 22.244 6.190 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 11 . 1779 . 1 1 3 GLU H H 1.464 20.686 4.998 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 11 . 1780 . 1 1 3 GLU HA H -1.218 19.841 4.986 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 11 . 1781 . 1 1 3 GLU HB2 H -0.057 22.503 4.132 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 11 . 1782 . 1 1 3 GLU HB3 H -1.756 22.195 4.467 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 11 . 1783 . 1 1 3 GLU HG2 H -1.215 21.680 6.786 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 11 . 1784 . 1 1 3 GLU HG3 H 0.493 21.959 6.455 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 11 . 1785 . 1 1 3 GLU N N 0.819 20.012 4.703 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 11 . 1786 . 1 1 3 GLU O O -0.497 20.970 2.041 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 11 . 1787 . 1 1 3 GLU OE1 O -1.822 24.232 6.311 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 11 . 1788 . 1 1 3 GLU OE2 O 0.286 24.364 6.920 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 11 . 1789 . 1 1 4 GLY C C -2.176 17.229 1.126 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 11 . 1790 . 1 1 4 GLY CA C -1.892 18.710 1.292 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 11 . 1791 . 1 1 4 GLY H H -1.793 18.472 3.393 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 11 . 1792 . 1 1 4 GLY HA2 H -2.773 19.267 1.007 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 11 . 1793 . 1 1 4 GLY HA3 H -1.079 18.984 0.636 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 11 . 1794 . 1 1 4 GLY N N -1.537 19.063 2.653 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 11 . 1795 . 1 1 4 GLY O O -3.074 16.848 0.373 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 11 . 1796 . 1 1 5 . C C -2.516 14.405 2.828 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 11 . 1797 . 1 1 5 . CA C -1.579 14.937 1.735 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 11 . 1798 . 1 1 5 . CB C -0.215 14.236 1.799 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 11 . 1799 . 1 1 5 . CG C 0.550 14.487 3.090 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 11 . 1800 . 1 1 5 . H H -0.701 16.755 2.406 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 11 . 1801 . 1 1 5 . HB2 H -0.366 13.172 1.699 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 11 . 1802 . 1 1 5 . HB3 H 0.391 14.582 0.974 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 11 . 1803 . 1 1 5 . HCA H -2.030 14.725 0.777 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 11 . 1804 . 1 1 5 . HG2 H 0.528 15.543 3.313 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 11 . 1805 . 1 1 5 . HG3 H 0.077 13.937 3.890 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 11 . 1806 . 1 1 5 . N N -1.405 16.389 1.823 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 11 . 1807 . 1 1 5 . O O -2.262 13.355 3.422 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 11 . 1808 . 1 1 5 . SD S 2.291 13.965 2.990 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 11 . 1809 . 1 1 6 PHE C C -5.196 13.365 3.747 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 11 . 1810 . 1 1 6 PHE CA C -4.594 14.732 4.081 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 11 . 1811 . 1 1 6 PHE CB C -5.701 15.789 4.183 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 11 . 1812 . 1 1 6 PHE CD1 C -6.448 14.939 6.431 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 11 . 1813 . 1 1 6 PHE CD2 C -8.106 15.700 4.894 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 11 . 1814 . 1 1 6 PHE CE1 C -7.433 14.647 7.353 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 11 . 1815 . 1 1 6 PHE CE2 C -9.095 15.410 5.813 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 11 . 1816 . 1 1 6 PHE CG C -6.772 15.469 5.190 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 11 . 1817 . 1 1 6 PHE CZ C -8.758 14.883 7.044 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 11 . 1818 . 1 1 6 PHE H H -3.764 15.947 2.557 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 11 . 1819 . 1 1 6 PHE HA H -4.086 14.665 5.031 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 11 . 1820 . 1 1 6 PHE HB2 H -5.260 16.734 4.463 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 11 . 1821 . 1 1 6 PHE HB3 H -6.175 15.895 3.217 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 11 . 1822 . 1 1 6 PHE HD1 H -5.412 14.754 6.674 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 11 . 1823 . 1 1 6 PHE HD2 H -8.371 16.112 3.931 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 11 . 1824 . 1 1 6 PHE HE1 H -7.168 14.235 8.315 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 11 . 1825 . 1 1 6 PHE HE2 H -10.131 15.595 5.569 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 11 . 1826 . 1 1 6 PHE HZ H -9.530 14.655 7.764 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 11 . 1827 . 1 1 6 PHE N N -3.609 15.130 3.074 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 11 . 1828 . 1 1 6 PHE O O -5.351 12.516 4.627 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 11 . 1829 . 1 1 7 THR C C -5.155 10.723 2.257 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 11 . 1830 . 1 1 7 THR CA C -6.106 11.898 2.013 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 11 . 1831 . 1 1 7 THR CB C -6.466 11.955 0.513 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 11 . 1832 . 1 1 7 THR CG2 C -7.093 10.648 0.045 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 11 . 1833 . 1 1 7 THR H H -5.375 13.877 1.819 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 11 . 1834 . 1 1 7 THR HA H -7.014 11.730 2.571 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 11 . 1835 . 1 1 7 THR HB H -5.561 12.127 -0.053 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 11 . 1836 . 1 1 7 THR HG1 H -6.927 13.737 -0.196 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 11 . 1837 . 1 1 7 THR HG21 H -7.249 10.686 -1.024 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 11 . 1838 . 1 1 7 THR HG22 H -8.042 10.505 0.543 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 11 . 1839 . 1 1 7 THR HG23 H -6.433 9.825 0.282 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 11 . 1840 . 1 1 7 THR N N -5.527 13.161 2.471 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 11 . 1841 . 1 1 7 THR O O -5.603 9.603 2.511 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 11 . 1842 . 1 1 7 THR OG1 O -7.380 13.032 0.272 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 11 . 1843 . 1 1 8 SER C C -3.079 9.183 3.691 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 11 . 1844 . 1 1 8 SER CA C -2.831 9.945 2.388 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 11 . 1845 . 1 1 8 SER CB C -1.428 10.560 2.399 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 11 . 1846 . 1 1 8 SER H H -3.549 11.899 1.974 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 11 . 1847 . 1 1 8 SER HA H -2.900 9.251 1.565 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 11 . 1848 . 1 1 8 SER HB2 H -1.270 11.106 1.481 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 11 . 1849 . 1 1 8 SER HB3 H -1.339 11.233 3.238 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 11 . 1850 . 1 1 8 SER HG H 0.378 9.863 2.094 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 11 . 1851 . 1 1 8 SER N N -3.843 10.984 2.178 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 11 . 1852 . 1 1 8 SER O O -2.933 7.961 3.736 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 11 . 1853 . 1 1 8 SER OG O -0.431 9.559 2.511 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 11 . 1854 . 1 1 9 ASP C C -4.875 8.276 5.930 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 11 . 1855 . 1 1 9 ASP CA C -3.746 9.303 6.040 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 11 . 1856 . 1 1 9 ASP CB C -4.119 10.386 7.060 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 11 . 1857 . 1 1 9 ASP CG C -4.535 9.811 8.402 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 11 . 1858 . 1 1 9 ASP H H -3.568 10.879 4.636 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 11 . 1859 . 1 1 9 ASP HA H -2.851 8.801 6.372 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 11 . 1860 . 1 1 9 ASP HB2 H -3.265 11.030 7.217 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 11 . 1861 . 1 1 9 ASP HB3 H -4.938 10.972 6.670 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 11 . 1862 . 1 1 9 ASP N N -3.463 9.910 4.741 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 11 . 1863 . 1 1 9 ASP O O -4.768 7.165 6.455 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 11 . 1864 . 1 1 9 ASP OD1 O -3.695 9.157 9.057 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 11 . 1865 . 1 1 9 ASP OD2 O -5.703 10.012 8.796 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 11 . 1866 . 1 1 10 PHE C C -6.698 6.510 4.301 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 11 . 1867 . 1 1 10 PHE CA C -7.103 7.773 5.049 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 11 . 1868 . 1 1 10 PHE CB C -8.213 8.497 4.279 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 11 . 1869 . 1 1 10 PHE CD1 C -8.643 9.878 6.341 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 11 . 1870 . 1 1 10 PHE CD2 C -9.303 10.756 4.223 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 11 . 1871 . 1 1 10 PHE CE1 C -9.122 11.013 6.964 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 11 . 1872 . 1 1 10 PHE CE2 C -9.785 11.892 4.842 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 11 . 1873 . 1 1 10 PHE CG C -8.727 9.736 4.963 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 11 . 1874 . 1 1 10 PHE CZ C -9.694 12.021 6.213 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 11 . 1875 . 1 1 10 PHE H H -5.968 9.551 4.838 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 11 . 1876 . 1 1 10 PHE HA H -7.473 7.496 6.024 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 11 . 1877 . 1 1 10 PHE HB2 H -7.836 8.787 3.310 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 11 . 1878 . 1 1 10 PHE HB3 H -9.046 7.822 4.147 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 11 . 1879 . 1 1 10 PHE HD1 H -8.196 9.090 6.929 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 11 . 1880 . 1 1 10 PHE HD2 H -9.374 10.656 3.150 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 11 . 1881 . 1 1 10 PHE HE1 H -9.050 11.113 8.037 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 11 . 1882 . 1 1 10 PHE HE2 H -10.230 12.680 4.253 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 11 . 1883 . 1 1 10 PHE HZ H -10.071 12.908 6.699 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 11 . 1884 . 1 1 10 PHE N N -5.951 8.655 5.237 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 11 . 1885 . 1 1 10 PHE O O -7.059 5.400 4.690 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 11 . 1886 . 1 1 11 . C C -4.056 5.150 2.835 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 11 . 1887 . 1 1 11 . CA C -5.474 5.572 2.419 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 11 . 1888 . 1 1 11 . CB C -5.520 5.957 0.934 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 11 . 1889 . 1 1 11 . CD1 C -6.884 3.749 -3.013 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 11 . 1890 . 1 1 11 . CD2 C -8.053 5.186 -1.510 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 11 . 1891 . 1 1 11 . CE1 C -8.087 3.286 -3.511 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 11 . 1892 . 1 1 11 . CE2 C -9.258 4.727 -2.005 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 11 . 1893 . 1 1 11 . CG C -6.852 4.704 -2.008 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 11 . 1894 . 1 1 11 . CI C -5.278 4.797 -0.022 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 11 . 1895 . 1 1 11 . CJ C -5.541 5.204 -1.466 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 11 . 1896 . 1 1 11 . CZ C -9.276 3.776 -3.006 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 11 . 1897 . 1 1 11 . HA H -6.145 4.743 2.586 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 11 . 1898 . 1 1 11 . HB H -6.491 6.375 0.715 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 11 . 1899 . 1 1 11 . HBA H -4.767 6.709 0.748 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 11 . 1900 . 1 1 11 . HD1 H -5.955 3.365 -3.409 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 11 . 1901 . 1 1 11 . HD2 H -8.041 5.931 -0.728 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 11 . 1902 . 1 1 11 . HE1 H -8.098 2.543 -4.294 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 11 . 1903 . 1 1 11 . HE2 H -10.186 5.111 -1.608 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 11 . 1904 . 1 1 11 . HI H -4.252 4.476 0.068 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 11 . 1905 . 1 1 11 . HIA H -5.937 3.983 0.240 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 11 . 1906 . 1 1 11 . HJ H -4.749 4.811 -2.086 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 11 . 1907 . 1 1 11 . HJA H -5.542 6.282 -1.528 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 11 . 1908 . 1 1 11 . HN H -5.684 7.604 2.975 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 11 . 1909 . 1 1 11 . HZ H -10.217 3.415 -3.393 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 11 . 1910 . 1 1 11 . N N -5.940 6.692 3.227 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 11 . 1911 . 1 1 11 . O O -3.237 4.772 1.996 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 11 . 1912 . 1 1 12 NH2 HN1 H -4.455 5.515 4.759 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 11 . 1913 . 1 1 12 NH2 HN2 H -2.866 4.932 4.417 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 11 . 1914 . 1 1 12 NH2 N N -3.764 5.205 4.135 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 12 . 1915 . 1 1 1 HIS C C 3.169 17.632 6.088 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 12 . 1916 . 1 1 1 HIS CA C 3.847 17.449 7.445 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 12 . 1917 . 1 1 1 HIS CB C 2.917 17.925 8.568 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 12 . 1918 . 1 1 1 HIS CD2 C 0.331 17.719 8.434 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 12 . 1919 . 1 1 1 HIS CE1 C 0.168 15.546 8.676 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 12 . 1920 . 1 1 1 HIS CG C 1.587 17.232 8.576 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 12 . 1921 . 1 1 1 HIS H1 H 5.591 18.032 8.437 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 12 . 1922 . 1 1 1 HIS H2 H 4.945 19.227 7.428 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 12 . 1923 . 1 1 1 HIS H3 H 5.764 17.907 6.758 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 12 . 1924 . 1 1 1 HIS HA H 4.064 16.401 7.589 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 12 . 1925 . 1 1 1 HIS HB2 H 3.392 17.745 9.521 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 12 . 1926 . 1 1 1 HIS HB3 H 2.741 18.985 8.454 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 12 . 1927 . 1 1 1 HIS HD1 H 2.181 15.228 8.855 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 12 . 1928 . 1 1 1 HIS HD2 H 0.057 18.756 8.294 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 12 . 1929 . 1 1 1 HIS HE1 H -0.238 14.549 8.761 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 12 . 1930 . 1 1 1 HIS HE2 H -1.504 16.695 8.400 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 12 . 1931 . 1 1 1 HIS N N 5.125 18.207 7.522 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 12 . 1932 . 1 1 1 HIS ND1 N 1.449 15.867 8.728 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 12 . 1933 . 1 1 1 HIS NE2 N -0.530 16.651 8.500 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 12 . 1934 . 1 1 1 HIS O O 3.229 18.712 5.497 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 12 . 1935 . 1 1 2 . C C 0.511 17.378 4.420 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 12 . 1936 . 1 1 2 . CA C 1.806 16.564 4.329 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 12 . 1937 . 1 1 2 . CB C 2.702 17.104 3.201 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 12 . 1938 . 1 1 2 . CG C 2.154 16.863 1.797 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 12 . 1939 . 1 1 2 . HA H 1.545 15.541 4.104 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 12 . 1940 . 1 1 2 . HB H 2.825 18.168 3.333 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 12 . 1941 . 1 1 2 . HBA H 3.671 16.630 3.270 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 12 . 1942 . 1 1 2 . HG H 2.071 15.798 1.632 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 12 . 1943 . 1 1 2 . HGA H 2.836 17.289 1.077 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 12 . 1944 . 1 1 2 . HN H 2.514 15.745 6.146 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 12 . 1945 . 1 1 2 . N N 2.520 16.563 5.611 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 12 . 1946 . 1 1 2 . O O -0.570 16.857 4.140 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 12 . 1947 . 1 1 2 . SD S 0.514 17.612 1.533 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 12 . 1948 . 1 1 3 GLU C C -1.127 19.814 3.546 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 12 . 1949 . 1 1 3 GLU CA C -0.541 19.525 4.928 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 12 . 1950 . 1 1 3 GLU CB C -0.156 20.834 5.628 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 12 . 1951 . 1 1 3 GLU CD C -0.912 23.083 6.505 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 12 . 1952 . 1 1 3 GLU CG C -1.330 21.771 5.868 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 12 . 1953 . 1 1 3 GLU H H 1.512 19.007 5.018 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 12 . 1954 . 1 1 3 GLU HA H -1.282 19.011 5.522 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 12 . 1955 . 1 1 3 GLU HB2 H 0.289 20.599 6.583 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 12 . 1956 . 1 1 3 GLU HB3 H 0.572 21.352 5.021 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 12 . 1957 . 1 1 3 GLU HG2 H -1.804 21.984 4.921 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 12 . 1958 . 1 1 3 GLU HG3 H -2.038 21.280 6.520 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 12 . 1959 . 1 1 3 GLU N N 0.625 18.650 4.810 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 12 . 1960 . 1 1 3 GLU O O -0.589 20.626 2.789 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 12 . 1961 . 1 1 3 GLU OE1 O -0.151 23.841 5.864 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 12 . 1962 . 1 1 3 GLU OE2 O -1.342 23.353 7.646 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 12 . 1963 . 1 1 4 GLY C C -3.106 17.970 1.221 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 12 . 1964 . 1 1 4 GLY CA C -2.860 19.298 1.924 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 12 . 1965 . 1 1 4 GLY H H -2.590 18.482 3.862 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 12 . 1966 . 1 1 4 GLY HA2 H -3.806 19.800 2.064 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 12 . 1967 . 1 1 4 GLY HA3 H -2.227 19.911 1.299 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 12 . 1968 . 1 1 4 GLY N N -2.221 19.126 3.221 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 12 . 1969 . 1 1 4 GLY O O -3.973 17.873 0.352 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 12 . 1970 . 1 1 5 . C C -3.216 14.707 2.042 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 12 . 1971 . 1 1 5 . CA C -2.475 15.605 1.054 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 12 . 1972 . 1 1 5 . CB C -1.090 15.016 0.736 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 12 . 1973 . 1 1 5 . CG C -0.443 15.555 -0.536 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 12 . 1974 . 1 1 5 . H H -1.696 17.086 2.331 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 12 . 1975 . 1 1 5 . HB2 H -0.428 15.225 1.562 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 12 . 1976 . 1 1 5 . HB3 H -1.187 13.944 0.634 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 12 . 1977 . 1 1 5 . HCA H -3.051 15.677 0.144 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 12 . 1978 . 1 1 5 . HG2 H 0.423 14.952 -0.765 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 12 . 1979 . 1 1 5 . HG3 H -1.155 15.476 -1.344 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 12 . 1980 . 1 1 5 . N N -2.347 16.944 1.618 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 12 . 1981 . 1 1 5 . O O -2.807 13.573 2.303 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 12 . 1982 . 1 1 5 . SD S 0.105 17.297 -0.431 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 12 . 1983 . 1 1 6 PHE C C -5.446 13.107 3.132 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 12 . 1984 . 1 1 6 PHE CA C -5.115 14.531 3.583 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 12 . 1985 . 1 1 6 PHE CB C -6.408 15.300 3.874 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 12 . 1986 . 1 1 6 PHE CD1 C -5.663 17.709 3.970 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 12 . 1987 . 1 1 6 PHE CD2 C -6.563 16.716 5.944 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 12 . 1988 . 1 1 6 PHE CE1 C -5.481 18.899 4.649 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 12 . 1989 . 1 1 6 PHE CE2 C -6.382 17.904 6.626 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 12 . 1990 . 1 1 6 PHE CG C -6.207 16.603 4.608 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 12 . 1991 . 1 1 6 PHE CZ C -5.840 18.996 5.978 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 12 . 1992 . 1 1 6 PHE H H -4.559 16.152 2.348 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 12 . 1993 . 1 1 6 PHE HA H -4.539 14.472 4.495 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 12 . 1994 . 1 1 6 PHE HB2 H -6.903 15.521 2.940 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 12 . 1995 . 1 1 6 PHE HB3 H -7.048 14.680 4.472 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 12 . 1996 . 1 1 6 PHE HD1 H -5.384 17.637 2.930 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 12 . 1997 . 1 1 6 PHE HD2 H -6.987 15.863 6.453 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 12 . 1998 . 1 1 6 PHE HE1 H -5.056 19.751 4.140 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 12 . 1999 . 1 1 6 PHE HE2 H -6.664 17.979 7.666 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 12 . 2000 . 1 1 6 PHE HZ H -5.698 19.926 6.510 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 12 . 2001 . 1 1 6 PHE N N -4.303 15.243 2.600 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 12 . 2002 . 1 1 6 PHE O O -5.378 12.172 3.932 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 12 . 2003 . 1 1 7 THR C C -4.973 10.644 1.500 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 12 . 2004 . 1 1 7 THR CA C -6.133 11.626 1.317 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 12 . 2005 . 1 1 7 THR CB C -6.530 11.694 -0.178 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 12 . 2006 . 1 1 7 THR CG2 C -5.421 12.309 -1.024 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 12 . 2007 . 1 1 7 THR H H -5.835 13.726 1.263 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 12 . 2008 . 1 1 7 THR HA H -6.981 11.256 1.871 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 12 . 2009 . 1 1 7 THR HB H -7.413 12.311 -0.269 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 12 . 2010 . 1 1 7 THR HG1 H -7.777 10.301 -0.816 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 12 . 2011 . 1 1 7 THR HG21 H -4.675 11.559 -1.242 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 12 . 2012 . 1 1 7 THR HG22 H -4.965 13.124 -0.483 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 12 . 2013 . 1 1 7 THR HG23 H -5.838 12.680 -1.949 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 12 . 2014 . 1 1 7 THR N N -5.799 12.945 1.854 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 12 . 2015 . 1 1 7 THR O O -5.167 9.536 2.004 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 12 . 2016 . 1 1 7 THR OG1 O -6.832 10.380 -0.667 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 12 . 2017 . 1 1 8 SER C C -2.264 9.998 2.738 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 12 . 2018 . 1 1 8 SER CA C -2.579 10.219 1.260 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 12 . 2019 . 1 1 8 SER CB C -1.376 10.853 0.554 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 12 . 2020 . 1 1 8 SER H H -3.667 11.964 0.744 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 12 . 2021 . 1 1 8 SER HA H -2.793 9.264 0.804 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 12 . 2022 . 1 1 8 SER HB2 H -1.611 10.999 -0.490 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 12 . 2023 . 1 1 8 SER HB3 H -1.156 11.807 1.010 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 12 . 2024 . 1 1 8 SER HG H 0.399 10.416 1.259 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 12 . 2025 . 1 1 8 SER N N -3.765 11.062 1.115 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 12 . 2026 . 1 1 8 SER O O -1.918 8.890 3.152 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 12 . 2027 . 1 1 8 SER OG O -0.230 10.023 0.650 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 12 . 2028 . 1 1 9 ASP C C -3.118 10.063 5.670 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 12 . 2029 . 1 1 9 ASP CA C -2.149 11.017 4.962 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 12 . 2030 . 1 1 9 ASP CB C -2.264 12.421 5.566 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 12 . 2031 . 1 1 9 ASP CG C -1.955 12.447 7.053 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 12 . 2032 . 1 1 9 ASP H H -2.687 11.914 3.125 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 12 . 2033 . 1 1 9 ASP HA H -1.141 10.656 5.108 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 12 . 2034 . 1 1 9 ASP HB2 H -1.571 13.079 5.064 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 12 . 2035 . 1 1 9 ASP HB3 H -3.270 12.785 5.420 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 12 . 2036 . 1 1 9 ASP N N -2.400 11.066 3.525 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 12 . 2037 . 1 1 9 ASP O O -2.795 9.531 6.735 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 12 . 2038 . 1 1 9 ASP OD1 O -0.810 12.118 7.429 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 12 . 2039 . 1 1 9 ASP OD2 O -2.860 12.794 7.840 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 12 . 2040 . 1 1 10 PHE C C -4.702 7.616 6.048 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 12 . 2041 . 1 1 10 PHE CA C -5.313 8.965 5.662 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 12 . 2042 . 1 1 10 PHE CB C -6.472 8.758 4.680 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 12 . 2043 . 1 1 10 PHE CD1 C -8.188 8.183 6.428 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 12 . 2044 . 1 1 10 PHE CD2 C -8.018 6.786 4.502 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 12 . 2045 . 1 1 10 PHE CE1 C -9.207 7.388 6.918 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 12 . 2046 . 1 1 10 PHE CE2 C -9.036 5.988 4.988 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 12 . 2047 . 1 1 10 PHE CG C -7.581 7.891 5.215 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 12 . 2048 . 1 1 10 PHE CZ C -9.631 6.289 6.197 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 12 . 2049 . 1 1 10 PHE H H -4.502 10.300 4.225 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 12 . 2050 . 1 1 10 PHE HA H -5.690 9.442 6.554 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 12 . 2051 . 1 1 10 PHE HB2 H -6.897 9.719 4.432 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 12 . 2052 . 1 1 10 PHE HB3 H -6.093 8.296 3.780 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 12 . 2053 . 1 1 10 PHE HD1 H -7.857 9.042 6.992 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 12 . 2054 . 1 1 10 PHE HD2 H -7.553 6.548 3.556 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 12 . 2055 . 1 1 10 PHE HE1 H -9.671 7.626 7.863 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 12 . 2056 . 1 1 10 PHE HE2 H -9.367 5.129 4.422 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 12 . 2057 . 1 1 10 PHE HZ H -10.427 5.667 6.578 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 12 . 2058 . 1 1 10 PHE N N -4.302 9.849 5.075 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 12 . 2059 . 1 1 10 PHE O O -5.111 7.002 7.035 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 12 . 2060 . 1 1 11 . C C -1.571 6.002 5.077 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 12 . 2061 . 1 1 11 . CA C -3.024 5.918 5.550 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 12 . 2062 . 1 1 11 . CB C -3.760 4.754 4.873 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 12 . 2063 . 1 1 11 . CD1 C -5.030 0.835 6.536 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 12 . 2064 . 1 1 11 . CD2 C -6.461 2.463 5.540 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 12 . 2065 . 1 1 11 . CE1 C -6.055 0.445 7.378 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 12 . 2066 . 1 1 11 . CE2 C -7.489 2.077 6.379 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 12 . 2067 . 1 1 11 . CG C -5.221 1.847 5.608 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 12 . 2068 . 1 1 11 . CI C -3.235 3.381 5.265 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 12 . 2069 . 1 1 11 . CJ C -4.103 2.269 4.694 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 12 . 2070 . 1 1 11 . CZ C -7.286 1.067 7.300 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 12 . 2071 . 1 1 11 . HA H -3.029 5.764 6.619 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 12 . 2072 . 1 1 11 . HB H -4.805 4.804 5.140 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 12 . 2073 . 1 1 11 . HBA H -3.667 4.859 3.803 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 12 . 2074 . 1 1 11 . HD1 H -4.068 0.348 6.599 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 12 . 2075 . 1 1 11 . HD2 H -6.622 3.253 4.820 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 12 . 2076 . 1 1 11 . HE1 H -5.893 -0.345 8.097 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 12 . 2077 . 1 1 11 . HE2 H -8.451 2.565 6.316 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 12 . 2078 . 1 1 11 . HI H -2.230 3.268 4.888 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 12 . 2079 . 1 1 11 . HIA H -3.229 3.302 6.343 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 12 . 2080 . 1 1 11 . HJ H -3.480 1.408 4.503 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 12 . 2081 . 1 1 11 . HJA H -4.537 2.611 3.766 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 12 . 2082 . 1 1 11 . HN H -3.418 7.719 4.516 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 12 . 2083 . 1 1 11 . HZ H -8.088 0.765 7.957 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 12 . 2084 . 1 1 11 . N N -3.708 7.176 5.279 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 12 . 2085 . 1 1 11 . O O -1.073 5.112 4.385 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 12 . 2086 . 1 1 12 NH2 HN1 H -1.351 7.754 6.007 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 12 . 2087 . 1 1 12 NH2 HN2 H 0.043 7.165 5.168 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 12 . 2088 . 1 1 12 NH2 N N -0.890 7.083 5.455 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 13 . 2089 . 1 1 1 HIS C C 2.423 17.334 6.236 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 13 . 2090 . 1 1 1 HIS CA C 2.476 17.271 7.762 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 13 . 2091 . 1 1 1 HIS CB C 3.512 16.239 8.220 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 13 . 2092 . 1 1 1 HIS CD2 C 3.473 15.093 10.548 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 13 . 2093 . 1 1 1 HIS CE1 C 4.013 16.832 11.768 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 13 . 2094 . 1 1 1 HIS CG C 3.643 16.143 9.709 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 13 . 2095 . 1 1 1 HIS H1 H 0.999 15.880 8.267 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 13 . 2096 . 1 1 1 HIS H2 H 0.389 17.390 7.817 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 13 . 2097 . 1 1 1 HIS H3 H 1.103 17.187 9.335 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 13 . 2098 . 1 1 1 HIS HA H 2.754 18.242 8.141 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 13 . 2099 . 1 1 1 HIS HB2 H 3.228 15.265 7.848 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 13 . 2100 . 1 1 1 HIS HB3 H 4.478 16.505 7.817 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 13 . 2101 . 1 1 1 HIS HD1 H 4.169 18.126 10.191 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 13 . 2102 . 1 1 1 HIS HD2 H 3.205 14.084 10.267 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 13 . 2103 . 1 1 1 HIS HE1 H 4.248 17.461 12.614 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 13 . 2104 . 1 1 1 HIS HE2 H 3.566 15.036 12.645 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 13 . 2105 . 1 1 1 HIS N N 1.149 16.906 8.335 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 13 . 2106 . 1 1 1 HIS ND1 N 3.980 17.216 10.506 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 13 . 2107 . 1 1 1 HIS NE2 N 3.708 15.549 11.822 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 13 . 2108 . 1 1 1 HIS O O 2.900 18.296 5.632 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 13 . 2109 . 1 1 2 . C C 0.851 17.406 3.672 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 13 . 2110 . 1 1 2 . CA C 1.685 16.233 4.170 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 13 . 2111 . 1 1 2 . CB C 3.064 16.225 3.492 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 13 . 2112 . 1 1 2 . CG C 3.041 15.795 2.030 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 13 . 2113 . 1 1 2 . HA H 1.164 15.320 3.930 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 13 . 2114 . 1 1 2 . HB H 3.480 17.220 3.541 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 13 . 2115 . 1 1 2 . HBA H 3.711 15.550 4.032 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 13 . 2116 . 1 1 2 . HG H 3.995 16.029 1.581 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 13 . 2117 . 1 1 2 . HGA H 2.258 16.333 1.518 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 13 . 2118 . 1 1 2 . HN H 1.460 15.583 6.169 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 13 . 2119 . 1 1 2 . N N 1.826 16.306 5.624 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 13 . 2120 . 1 1 2 . O O -0.207 17.211 3.077 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 13 . 2121 . 1 1 2 . SD S 2.732 14.009 1.817 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 13 . 2122 . 1 1 3 GLU C C 0.086 19.755 2.125 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 13 . 2123 . 1 1 3 GLU CA C 0.625 19.844 3.556 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 13 . 2124 . 1 1 3 GLU CB C 1.553 21.060 3.706 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 13 . 2125 . 1 1 3 GLU CD C 3.762 22.152 3.111 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 13 . 2126 . 1 1 3 GLU CG C 2.860 20.944 2.930 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 13 . 2127 . 1 1 3 GLU H H 2.166 18.695 4.449 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 13 . 2128 . 1 1 3 GLU HA H -0.212 19.966 4.226 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 13 . 2129 . 1 1 3 GLU HB2 H 1.032 21.939 3.359 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 13 . 2130 . 1 1 3 GLU HB3 H 1.792 21.184 4.752 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 13 . 2131 . 1 1 3 GLU HG2 H 3.389 20.067 3.270 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 13 . 2132 . 1 1 3 GLU HG3 H 2.632 20.840 1.880 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 13 . 2133 . 1 1 3 GLU N N 1.327 18.621 3.949 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 13 . 2134 . 1 1 3 GLU O O 0.838 19.847 1.152 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 13 . 2135 . 1 1 3 GLU OE1 O 3.351 23.266 2.721 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 13 . 2136 . 1 1 3 GLU OE2 O 4.880 21.983 3.641 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 13 . 2137 . 1 1 4 GLY C C -2.559 18.108 0.523 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 13 . 2138 . 1 1 4 GLY CA C -1.878 19.452 0.719 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 13 . 2139 . 1 1 4 GLY H H -1.767 19.483 2.834 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 13 . 2140 . 1 1 4 GLY HA2 H -2.619 20.234 0.631 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 13 . 2141 . 1 1 4 GLY HA3 H -1.137 19.584 -0.056 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 13 . 2142 . 1 1 4 GLY N N -1.231 19.563 2.018 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 13 . 2143 . 1 1 4 GLY O O -3.656 18.036 -0.032 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 13 . 2144 . 1 1 5 . C C -2.852 15.146 2.241 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 13 . 2145 . 1 1 5 . CA C -2.429 15.685 0.871 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 13 . 2146 . 1 1 5 . CB C -1.347 14.782 0.268 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 13 . 2147 . 1 1 5 . CG C -0.142 14.625 1.183 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 13 . 2148 . 1 1 5 . H H -1.031 17.179 1.417 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 13 . 2149 . 1 1 5 . HB2 H -1.766 13.806 0.081 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 13 . 2150 . 1 1 5 . HB3 H -1.012 15.210 -0.665 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 13 . 2151 . 1 1 5 . HCA H -3.286 15.708 0.222 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 13 . 2152 . 1 1 5 . HG2 H 0.129 15.593 1.571 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 13 . 2153 . 1 1 5 . HG3 H -0.410 13.973 2.003 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 13 . 2154 . 1 1 5 . N N -1.901 17.045 0.984 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 13 . 2155 . 1 1 5 . O O -2.813 13.937 2.481 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 13 . 2156 . 1 1 5 . SD S 1.321 13.926 0.360 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 13 . 2157 . 1 1 6 PHE C C -4.613 14.495 4.497 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 13 . 2158 . 1 1 6 PHE CA C -3.664 15.694 4.492 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 13 . 2159 . 1 1 6 PHE CB C -4.323 16.896 5.179 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 13 . 2160 . 1 1 6 PHE CD1 C -3.741 16.175 7.516 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 13 . 2161 . 1 1 6 PHE CD2 C -5.969 16.904 7.076 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 13 . 2162 . 1 1 6 PHE CE1 C -4.072 15.951 8.839 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 13 . 2163 . 1 1 6 PHE CE2 C -6.305 16.683 8.398 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 13 . 2164 . 1 1 6 PHE CG C -4.684 16.654 6.620 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 13 . 2165 . 1 1 6 PHE CZ C -5.356 16.205 9.281 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 13 . 2166 . 1 1 6 PHE H H -3.255 16.997 2.870 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 13 . 2167 . 1 1 6 PHE HA H -2.773 15.428 5.042 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 13 . 2168 . 1 1 6 PHE HB2 H -3.644 17.735 5.146 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 13 . 2169 . 1 1 6 PHE HB3 H -5.228 17.153 4.647 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 13 . 2170 . 1 1 6 PHE HD1 H -2.735 15.977 7.173 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 13 . 2171 . 1 1 6 PHE HD2 H -6.712 17.278 6.387 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 13 . 2172 . 1 1 6 PHE HE1 H -3.328 15.578 9.527 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 13 . 2173 . 1 1 6 PHE HE2 H -7.310 16.883 8.741 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 13 . 2174 . 1 1 6 PHE HZ H -5.618 16.031 10.314 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 13 . 2175 . 1 1 6 PHE N N -3.249 16.055 3.132 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 13 . 2176 . 1 1 6 PHE O O -4.375 13.513 5.203 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 13 . 2177 . 1 1 7 THR C C -6.113 12.323 2.785 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 13 . 2178 . 1 1 7 THR CA C -6.652 13.490 3.616 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 13 . 2179 . 1 1 7 THR CB C -7.985 13.973 3.002 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 13 . 2180 . 1 1 7 THR CG2 C -9.011 12.847 2.975 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 13 . 2181 . 1 1 7 THR H H -5.810 15.381 3.160 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 13 . 2182 . 1 1 7 THR HA H -6.850 13.141 4.618 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 13 . 2183 . 1 1 7 THR HB H -7.801 14.297 1.988 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 13 . 2184 . 1 1 7 THR HG1 H -8.560 14.832 4.686 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 13 . 2185 . 1 1 7 THR HG21 H -9.981 13.250 2.723 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 13 . 2186 . 1 1 7 THR HG22 H -9.056 12.379 3.947 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 13 . 2187 . 1 1 7 THR HG23 H -8.722 12.114 2.235 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 13 . 2188 . 1 1 7 THR N N -5.678 14.575 3.704 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 13 . 2189 . 1 1 7 THR O O -6.398 11.160 3.080 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 13 . 2190 . 1 1 7 THR OG1 O -8.505 15.075 3.758 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 13 . 2191 . 1 1 8 SER C C -3.942 10.603 1.650 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 13 . 2192 . 1 1 8 SER CA C -4.767 11.619 0.866 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 13 . 2193 . 1 1 8 SER CB C -3.904 12.269 -0.218 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 13 . 2194 . 1 1 8 SER H H -5.140 13.585 1.565 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 13 . 2195 . 1 1 8 SER HA H -5.586 11.102 0.392 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 13 . 2196 . 1 1 8 SER HB2 H -3.098 12.813 0.248 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 13 . 2197 . 1 1 8 SER HB3 H -3.495 11.502 -0.859 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 13 . 2198 . 1 1 8 SER HG H -4.125 13.926 -1.240 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 13 . 2199 . 1 1 8 SER N N -5.336 12.640 1.746 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 13 . 2200 . 1 1 8 SER O O -4.010 9.402 1.383 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 13 . 2201 . 1 1 8 SER OG O -4.664 13.166 -1.007 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 13 . 2202 . 1 1 9 ASP C C -3.120 9.654 4.634 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 13 . 2203 . 1 1 9 ASP CA C -2.333 10.221 3.443 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 13 . 2204 . 1 1 9 ASP CB C -1.094 10.987 3.927 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 13 . 2205 . 1 1 9 ASP CG C -0.090 10.096 4.640 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 13 . 2206 . 1 1 9 ASP H H -3.158 12.056 2.784 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 13 . 2207 . 1 1 9 ASP HA H -2.010 9.396 2.824 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 13 . 2208 . 1 1 9 ASP HB2 H -0.604 11.438 3.077 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 13 . 2209 . 1 1 9 ASP HB3 H -1.406 11.766 4.609 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 13 . 2210 . 1 1 9 ASP N N -3.167 11.090 2.619 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 13 . 2211 . 1 1 9 ASP O O -2.586 9.528 5.738 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 13 . 2212 . 1 1 9 ASP OD1 O 0.400 9.132 4.015 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 13 . 2213 . 1 1 9 ASP OD2 O 0.207 10.366 5.823 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 13 . 2214 . 1 1 10 PHE C C -4.614 7.451 6.028 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 13 . 2215 . 1 1 10 PHE CA C -5.231 8.733 5.462 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 13 . 2216 . 1 1 10 PHE CB C -6.657 8.469 4.947 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 13 . 2217 . 1 1 10 PHE CD1 C -6.389 6.324 3.647 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 13 . 2218 . 1 1 10 PHE CD2 C -7.152 8.266 2.492 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 13 . 2219 . 1 1 10 PHE CE1 C -6.464 5.595 2.474 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 13 . 2220 . 1 1 10 PHE CE2 C -7.229 7.542 1.318 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 13 . 2221 . 1 1 10 PHE CG C -6.730 7.668 3.670 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 13 . 2222 . 1 1 10 PHE CZ C -6.884 6.205 1.309 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 13 . 2223 . 1 1 10 PHE H H -4.768 9.414 3.509 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 13 . 2224 . 1 1 10 PHE HA H -5.281 9.463 6.257 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 13 . 2225 . 1 1 10 PHE HB2 H -7.206 7.928 5.703 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 13 . 2226 . 1 1 10 PHE HB3 H -7.146 9.417 4.772 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 13 . 2227 . 1 1 10 PHE HD1 H -6.062 5.844 4.557 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 13 . 2228 . 1 1 10 PHE HD2 H -7.421 9.310 2.496 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 13 . 2229 . 1 1 10 PHE HE1 H -6.193 4.549 2.470 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 13 . 2230 . 1 1 10 PHE HE2 H -7.560 8.021 0.409 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 13 . 2231 . 1 1 10 PHE HZ H -6.943 5.637 0.392 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 13 . 2232 . 1 1 10 PHE N N -4.391 9.300 4.406 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 13 . 2233 . 1 1 10 PHE O O -4.717 7.183 7.226 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 13 . 2234 . 1 1 11 . C C -1.991 5.671 6.277 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 13 . 2235 . 1 1 11 . CA C -3.329 5.417 5.574 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 13 . 2236 . 1 1 11 . CB C -3.142 4.482 4.368 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 13 . 2237 . 1 1 11 . CD1 C 0.358 3.257 2.409 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 13 . 2238 . 1 1 11 . CD2 C 0.501 5.426 1.426 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 13 . 2239 . 1 1 11 . CE1 C 1.159 2.747 1.406 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 13 . 2240 . 1 1 11 . CE2 C 1.303 4.921 0.421 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 13 . 2241 . 1 1 11 . CG C 0.020 4.602 2.431 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 13 . 2242 . 1 1 11 . CI C -2.340 5.078 3.213 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 13 . 2243 . 1 1 11 . CJ C -0.853 5.154 3.524 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 13 . 2244 . 1 1 11 . CZ C 1.632 3.579 0.410 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 13 . 2245 . 1 1 11 . HA H -3.993 4.937 6.278 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 13 . 2246 . 1 1 11 . HB H -2.635 3.589 4.700 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 13 . 2247 . 1 1 11 . HBA H -4.117 4.207 3.992 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 13 . 2248 . 1 1 11 . HD1 H -0.013 2.605 3.186 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 13 . 2249 . 1 1 11 . HD2 H 0.244 6.475 1.433 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 13 . 2250 . 1 1 11 . HE1 H 1.415 1.697 1.400 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 13 . 2251 . 1 1 11 . HE2 H 1.672 5.574 -0.357 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 13 . 2252 . 1 1 11 . HI H -2.481 4.461 2.338 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 13 . 2253 . 1 1 11 . HIA H -2.705 6.074 3.012 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 13 . 2254 . 1 1 11 . HJ H -0.656 4.593 4.426 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 13 . 2255 . 1 1 11 . HJA H -0.584 6.188 3.678 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 13 . 2256 . 1 1 11 . HN H -3.917 6.939 4.221 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 13 . 2257 . 1 1 11 . HZ H 2.259 3.182 -0.375 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 13 . 2258 . 1 1 11 . N N -3.968 6.667 5.161 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 13 . 2259 . 1 1 11 . O O -1.539 4.854 7.079 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 13 . 2260 . 1 1 12 NH2 HN1 H -1.764 7.415 5.336 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 13 . 2261 . 1 1 12 NH2 HN2 H -0.500 6.981 6.428 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 13 . 2262 . 1 1 12 NH2 N N -1.354 6.804 5.983 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 14 . 2263 . 1 1 1 HIS C C 2.693 18.937 6.124 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 14 . 2264 . 1 1 1 HIS CA C 3.317 19.051 7.520 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 14 . 2265 . 1 1 1 HIS CB C 4.105 20.363 7.643 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 14 . 2266 . 1 1 1 HIS CD2 C 4.317 21.603 9.913 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 14 . 2267 . 1 1 1 HIS CE1 C 5.864 20.348 10.827 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 14 . 2268 . 1 1 1 HIS CG C 4.634 20.635 9.020 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 14 . 2269 . 1 1 1 HIS H1 H 3.864 17.033 7.389 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 14 . 2270 . 1 1 1 HIS H2 H 4.320 17.773 8.836 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 14 . 2271 . 1 1 1 HIS H3 H 5.178 18.098 7.415 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 14 . 2272 . 1 1 1 HIS HA H 2.526 19.045 8.256 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 14 . 2273 . 1 1 1 HIS HB2 H 4.947 20.332 6.969 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 14 . 2274 . 1 1 1 HIS HB3 H 3.462 21.186 7.366 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 14 . 2275 . 1 1 1 HIS HD1 H 6.048 19.084 9.229 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 14 . 2276 . 1 1 1 HIS HD2 H 3.586 22.388 9.775 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 14 . 2277 . 1 1 1 HIS HE1 H 6.583 19.949 11.527 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 14 . 2278 . 1 1 1 HIS HE2 H 5.135 21.991 11.807 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 14 . 2279 . 1 1 1 HIS N N 4.233 17.909 7.809 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 14 . 2280 . 1 1 1 HIS ND1 N 5.608 19.866 9.624 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 14 . 2281 . 1 1 1 HIS NE2 N 5.095 21.401 11.025 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 14 . 2282 . 1 1 1 HIS O O 2.741 19.884 5.334 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 14 . 2283 . 1 1 2 . C C 0.310 18.491 4.289 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 14 . 2284 . 1 1 2 . CA C 1.461 17.528 4.536 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 14 . 2285 . 1 1 2 . CB C 2.479 17.636 3.395 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 14 . 2286 . 1 1 2 . CG C 3.198 16.334 3.088 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 14 . 2287 . 1 1 2 . HA H 1.066 16.524 4.552 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 14 . 2288 . 1 1 2 . HB H 1.967 17.957 2.500 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 14 . 2289 . 1 1 2 . HBA H 3.220 18.376 3.658 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 14 . 2290 . 1 1 2 . HG H 3.576 15.916 4.009 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 14 . 2291 . 1 1 2 . HGA H 4.019 16.536 2.417 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 14 . 2292 . 1 1 2 . HN H 2.090 17.065 6.500 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 14 . 2293 . 1 1 2 . N N 2.101 17.774 5.829 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 14 . 2294 . 1 1 2 . O O -0.819 18.062 4.050 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 14 . 2295 . 1 1 2 . SD S 2.113 15.098 2.302 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 14 . 2296 . 1 1 3 GLU C C -1.089 20.563 2.764 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 14 . 2297 . 1 1 3 GLU CA C -0.414 20.815 4.111 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 14 . 2298 . 1 1 3 GLU CB C 0.225 22.212 4.148 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 14 . 2299 . 1 1 3 GLU CD C -1.661 23.640 3.184 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 14 . 2300 . 1 1 3 GLU CG C -0.755 23.362 4.373 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 14 . 2301 . 1 1 3 GLU H H 1.525 20.064 4.536 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 14 . 2302 . 1 1 3 GLU HA H -1.152 20.736 4.895 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 14 . 2303 . 1 1 3 GLU HB2 H 0.953 22.236 4.945 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 14 . 2304 . 1 1 3 GLU HB3 H 0.733 22.383 3.210 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 14 . 2305 . 1 1 3 GLU HG2 H -1.375 23.122 5.224 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 14 . 2306 . 1 1 3 GLU HG3 H -0.188 24.257 4.590 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 14 . 2307 . 1 1 3 GLU N N 0.603 19.791 4.343 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 14 . 2308 . 1 1 3 GLU O O -0.517 20.836 1.707 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 14 . 2309 . 1 1 3 GLU OE1 O -2.644 22.894 2.991 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 14 . 2310 . 1 1 3 GLU OE2 O -1.385 24.607 2.444 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 14 . 2311 . 1 1 4 GLY C C -2.749 18.307 1.098 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 14 . 2312 . 1 1 4 GLY CA C -3.044 19.707 1.610 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 14 . 2313 . 1 1 4 GLY H H -2.694 19.808 3.694 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 14 . 2314 . 1 1 4 GLY HA2 H -4.101 19.789 1.817 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 14 . 2315 . 1 1 4 GLY HA3 H -2.782 20.420 0.845 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 14 . 2316 . 1 1 4 GLY N N -2.304 20.018 2.819 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 14 . 2317 . 1 1 4 GLY O O -2.615 18.096 -0.108 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 14 . 2318 . 1 1 5 . C C -3.079 15.012 2.671 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 14 . 2319 . 1 1 5 . CA C -2.383 15.951 1.683 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 14 . 2320 . 1 1 5 . CB C -0.873 15.666 1.683 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 14 . 2321 . 1 1 5 . CG C -0.074 16.510 0.704 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 14 . 2322 . 1 1 5 . H H -2.778 17.588 2.969 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 14 . 2323 . 1 1 5 . HB2 H -0.488 15.849 2.674 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 14 . 2324 . 1 1 5 . HB3 H -0.718 14.626 1.436 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 14 . 2325 . 1 1 5 . HCA H -2.778 15.768 0.695 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 14 . 2326 . 1 1 5 . HG2 H -0.553 16.474 -0.264 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 14 . 2327 . 1 1 5 . HG3 H -0.050 17.531 1.058 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 14 . 2328 . 1 1 5 . N N -2.656 17.348 2.026 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 14 . 2329 . 1 1 5 . O O -2.491 14.034 3.136 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 14 . 2330 . 1 1 5 . SD S 1.647 15.934 0.508 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 14 . 2331 . 1 1 6 PHE C C -5.203 13.047 3.465 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 14 . 2332 . 1 1 6 PHE CA C -5.120 14.506 3.922 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 14 . 2333 . 1 1 6 PHE CB C -6.528 15.095 4.101 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 14 . 2334 . 1 1 6 PHE CD1 C -7.942 13.979 2.343 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 14 . 2335 . 1 1 6 PHE CD2 C -7.534 16.321 2.152 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 14 . 2336 . 1 1 6 PHE CE1 C -8.694 14.012 1.185 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 14 . 2337 . 1 1 6 PHE CE2 C -8.285 16.360 0.993 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 14 . 2338 . 1 1 6 PHE CG C -7.353 15.132 2.841 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 14 . 2339 . 1 1 6 PHE CZ C -8.866 15.204 0.509 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 14 . 2340 . 1 1 6 PHE H H -4.750 16.110 2.581 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 14 . 2341 . 1 1 6 PHE HA H -4.611 14.534 4.874 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 14 . 2342 . 1 1 6 PHE HB2 H -7.065 14.504 4.827 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 14 . 2343 . 1 1 6 PHE HB3 H -6.439 16.108 4.469 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 14 . 2344 . 1 1 6 PHE HD1 H -7.809 13.047 2.871 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 14 . 2345 . 1 1 6 PHE HD2 H -7.080 17.226 2.529 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 14 . 2346 . 1 1 6 PHE HE1 H -9.147 13.107 0.809 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 14 . 2347 . 1 1 6 PHE HE2 H -8.419 17.293 0.466 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 14 . 2348 . 1 1 6 PHE HZ H -9.453 15.232 -0.397 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 14 . 2349 . 1 1 6 PHE N N -4.337 15.318 2.986 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 14 . 2350 . 1 1 6 PHE O O -5.204 12.134 4.288 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 14 . 2351 . 1 1 7 THR C C -4.228 10.583 2.058 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 14 . 2352 . 1 1 7 THR CA C -5.365 11.492 1.581 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 14 . 2353 . 1 1 7 THR CB C -5.374 11.531 0.036 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 14 . 2354 . 1 1 7 THR CG2 C -4.104 12.171 -0.511 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 14 . 2355 . 1 1 7 THR H H -5.272 13.608 1.543 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 14 . 2356 . 1 1 7 THR HA H -6.302 11.067 1.907 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 14 . 2357 . 1 1 7 THR HB H -6.221 12.120 -0.286 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 14 . 2358 . 1 1 7 THR HG1 H -6.266 10.165 -1.075 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 14 . 2359 . 1 1 7 THR HG21 H -3.885 13.070 0.046 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 14 . 2360 . 1 1 7 THR HG22 H -4.245 12.419 -1.552 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 14 . 2361 . 1 1 7 THR HG23 H -3.280 11.478 -0.414 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 14 . 2362 . 1 1 7 THR N N -5.275 12.837 2.149 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 14 . 2363 . 1 1 7 THR O O -4.455 9.404 2.339 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 14 . 2364 . 1 1 7 THR OG1 O -5.506 10.204 -0.490 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 14 . 2365 . 1 1 8 SER C C -2.117 9.625 3.894 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 14 . 2366 . 1 1 8 SER CA C -1.847 10.348 2.574 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 14 . 2367 . 1 1 8 SER CB C -0.608 11.243 2.708 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 14 . 2368 . 1 1 8 SER H H -2.891 12.072 1.902 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 14 . 2369 . 1 1 8 SER HA H -1.656 9.606 1.814 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 14 . 2370 . 1 1 8 SER HB2 H 0.255 10.629 2.917 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 14 . 2371 . 1 1 8 SER HB3 H -0.453 11.775 1.781 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 14 . 2372 . 1 1 8 SER HG H -0.800 13.071 3.386 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 14 . 2373 . 1 1 8 SER N N -3.010 11.128 2.142 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 14 . 2374 . 1 1 8 SER O O -1.862 8.425 4.013 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 14 . 2375 . 1 1 8 SER OG O -0.758 12.185 3.755 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 14 . 2376 . 1 1 9 ASP C C -4.244 8.955 6.140 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 14 . 2377 . 1 1 9 ASP CA C -2.949 9.777 6.183 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 14 . 2378 . 1 1 9 ASP CB C -3.014 10.865 7.267 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 14 . 2379 . 1 1 9 ASP CG C -4.100 11.897 7.030 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 14 . 2380 . 1 1 9 ASP H H -2.825 11.307 4.719 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 14 . 2381 . 1 1 9 ASP HA H -2.139 9.105 6.428 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 14 . 2382 . 1 1 9 ASP HB2 H -3.199 10.397 8.221 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 14 . 2383 . 1 1 9 ASP HB3 H -2.063 11.375 7.305 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 14 . 2384 . 1 1 9 ASP N N -2.640 10.358 4.877 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 14 . 2385 . 1 1 9 ASP O O -4.402 8.011 6.916 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 14 . 2386 . 1 1 9 ASP OD1 O -5.287 11.568 7.225 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 14 . 2387 . 1 1 9 ASP OD2 O -3.761 13.037 6.646 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 14 . 2388 . 1 1 10 PHE C C -6.168 7.091 4.814 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 14 . 2389 . 1 1 10 PHE CA C -6.426 8.571 5.085 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 14 . 2390 . 1 1 10 PHE CB C -7.285 9.158 3.954 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 14 . 2391 . 1 1 10 PHE CD1 C -7.719 11.261 5.266 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 14 . 2392 . 1 1 10 PHE CD2 C -9.448 10.429 3.854 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 14 . 2393 . 1 1 10 PHE CE1 C -8.530 12.314 5.644 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 14 . 2394 . 1 1 10 PHE CE2 C -10.264 11.479 4.228 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 14 . 2395 . 1 1 10 PHE CG C -8.166 10.307 4.368 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 14 . 2396 . 1 1 10 PHE CZ C -9.804 12.423 5.125 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 14 . 2397 . 1 1 10 PHE H H -4.977 10.054 4.619 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 14 . 2398 . 1 1 10 PHE HA H -6.963 8.663 6.017 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 14 . 2399 . 1 1 10 PHE HB2 H -6.635 9.511 3.168 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 14 . 2400 . 1 1 10 PHE HB3 H -7.921 8.378 3.559 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 14 . 2401 . 1 1 10 PHE HD1 H -6.726 11.177 5.671 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 14 . 2402 . 1 1 10 PHE HD2 H -9.809 9.690 3.153 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 14 . 2403 . 1 1 10 PHE HE1 H -8.166 13.050 6.345 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 14 . 2404 . 1 1 10 PHE HE2 H -11.260 11.562 3.820 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 14 . 2405 . 1 1 10 PHE HZ H -10.439 13.245 5.419 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 14 . 2406 . 1 1 10 PHE N N -5.161 9.303 5.223 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 14 . 2407 . 1 1 10 PHE O O -6.809 6.222 5.407 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 14 . 2408 . 1 1 11 . C C -3.457 5.100 4.033 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 14 . 2409 . 1 1 11 . CA C -4.871 5.446 3.555 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 14 . 2410 . 1 1 11 . CB C -4.983 5.256 2.039 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 14 . 2411 . 1 1 11 . CD1 C -7.682 7.388 -0.861 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 14 . 2412 . 1 1 11 . CD2 C -8.737 5.253 -0.999 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 14 . 2413 . 1 1 11 . CE1 C -8.793 7.978 -1.432 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 14 . 2414 . 1 1 11 . CE2 C -9.851 5.838 -1.570 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 14 . 2415 . 1 1 11 . CG C -7.641 6.020 -0.638 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 14 . 2416 . 1 1 11 . CI C -6.379 5.524 1.498 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 14 . 2417 . 1 1 11 . CJ C -6.431 5.382 -0.015 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 14 . 2418 . 1 1 11 . CZ C -9.880 7.201 -1.787 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 14 . 2419 . 1 1 11 . HA H -5.572 4.785 4.043 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 14 . 2420 . 1 1 11 . HB H -4.296 5.931 1.551 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 14 . 2421 . 1 1 11 . HBA H -4.713 4.240 1.793 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 14 . 2422 . 1 1 11 . HD1 H -6.833 7.996 -0.585 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 14 . 2423 . 1 1 11 . HD2 H -8.716 4.187 -0.830 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 14 . 2424 . 1 1 11 . HE1 H -8.813 9.044 -1.600 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 14 . 2425 . 1 1 11 . HE2 H -10.700 5.229 -1.847 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 14 . 2426 . 1 1 11 . HI H -7.067 4.818 1.940 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 14 . 2427 . 1 1 11 . HIA H -6.671 6.529 1.765 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 14 . 2428 . 1 1 11 . HJ H -6.438 4.331 -0.264 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 14 . 2429 . 1 1 11 . HJA H -5.551 5.845 -0.436 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 14 . 2430 . 1 1 11 . HN H -4.751 7.558 3.480 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 14 . 2431 . 1 1 11 . HZ H -10.749 7.660 -2.233 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 14 . 2432 . 1 1 11 . N N -5.224 6.817 3.914 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 14 . 2433 . 1 1 11 . O O -2.702 4.419 3.337 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 14 . 2434 . 1 1 12 NH2 HN1 H -3.743 6.104 5.733 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 14 . 2435 . 1 1 12 NH2 HN2 H -2.196 5.357 5.552 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 14 . 2436 . 1 1 12 NH2 N N -3.096 5.568 5.227 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
. 15 . 2437 . 1 1 1 HIS C C 3.265 18.360 5.207 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . rr_2n0i 1
. 15 . 2438 . 1 1 1 HIS CA C 4.705 18.794 5.496 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . rr_2n0i 1
. 15 . 2439 . 1 1 1 HIS CB C 4.813 20.323 5.520 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . rr_2n0i 1
. 15 . 2440 . 1 1 1 HIS CD2 C 3.122 21.995 6.562 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . rr_2n0i 1
. 15 . 2441 . 1 1 1 HIS CE1 C 3.276 21.352 8.653 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . rr_2n0i 1
. 15 . 2442 . 1 1 1 HIS CG C 4.010 20.973 6.608 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . rr_2n0i 1
. 15 . 2443 . 1 1 1 HIS H1 H 5.423 18.679 3.537 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . rr_2n0i 1
. 15 . 2444 . 1 1 1 HIS H2 H 5.565 17.235 4.406 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . rr_2n0i 1
. 15 . 2445 . 1 1 1 HIS H3 H 6.623 18.516 4.719 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . rr_2n0i 1
. 15 . 2446 . 1 1 1 HIS HA H 5.001 18.403 6.457 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . rr_2n0i 1
. 15 . 2447 . 1 1 1 HIS HB2 H 5.846 20.602 5.659 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . rr_2n0i 1
. 15 . 2448 . 1 1 1 HIS HB3 H 4.466 20.713 4.574 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . rr_2n0i 1
. 15 . 2449 . 1 1 1 HIS HD1 H 4.641 19.871 8.292 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . rr_2n0i 1
. 15 . 2450 . 1 1 1 HIS HD2 H 2.820 22.541 5.681 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . rr_2n0i 1
. 15 . 2451 . 1 1 1 HIS HE1 H 3.127 21.282 9.721 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . rr_2n0i 1
. 15 . 2452 . 1 1 1 HIS HE2 H 2.014 22.872 8.114 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . rr_2n0i 1
. 15 . 2453 . 1 1 1 HIS N N 5.644 18.269 4.468 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . rr_2n0i 1
. 15 . 2454 . 1 1 1 HIS ND1 N 4.084 20.593 7.933 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . rr_2n0i 1
. 15 . 2455 . 1 1 1 HIS NE2 N 2.682 22.209 7.844 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . rr_2n0i 1
. 15 . 2456 . 1 1 1 HIS O O 2.888 18.156 4.052 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . rr_2n0i 1
. 15 . 2457 . 1 1 2 . C C 0.296 18.681 5.164 . . . 1.0 . . . . . . . . . . . . A . 2 KCY C . . . . . . . . . rr_2n0i 1
. 15 . 2458 . 1 1 2 . CA C 1.065 17.808 6.165 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CA . . . . . . . . . rr_2n0i 1
. 15 . 2459 . 1 1 2 . CB C 0.986 16.321 5.785 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CB . . . . . . . . . rr_2n0i 1
. 15 . 2460 . 1 1 2 . CG C -0.208 15.595 6.387 . . . 1.0 . . . . . . . . . . . . A . 2 KCY CG . . . . . . . . . rr_2n0i 1
. 15 . 2461 . 1 1 2 . HA H 0.608 17.943 7.129 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HA . . . . . . . . . rr_2n0i 1
. 15 . 2462 . 1 1 2 . HB H 0.921 16.240 4.710 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HB . . . . . . . . . rr_2n0i 1
. 15 . 2463 . 1 1 2 . HBA H 1.886 15.827 6.120 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HBA . . . . . . . . . rr_2n0i 1
. 15 . 2464 . 1 1 2 . HG H -1.112 15.959 5.922 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HG . . . . . . . . . rr_2n0i 1
. 15 . 2465 . 1 1 2 . HGA H -0.241 15.799 7.447 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HGA . . . . . . . . . rr_2n0i 1
. 15 . 2466 . 1 1 2 . HN H 2.840 18.397 7.164 . . . 1.0 . . . . . . . . . . . . A . 2 KCY HN . . . . . . . . . rr_2n0i 1
. 15 . 2467 . 1 1 2 . N N 2.470 18.220 6.273 . . . 1.0 . . . . . . . . . . . . A . 2 KCY N . . . . . . . . . rr_2n0i 1
. 15 . 2468 . 1 1 2 . O O -0.678 18.232 4.549 . . . 1.0 . . . . . . . . . . . . A . 2 KCY O . . . . . . . . . rr_2n0i 1
. 15 . 2469 . 1 1 2 . SD S -0.143 13.783 6.164 . . . 1.0 . . . . . . . . . . . . A . 2 KCY SD . . . . . . . . . rr_2n0i 1
. 15 . 2470 . 1 1 3 GLU C C -0.260 20.305 2.793 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_2n0i 1
. 15 . 2471 . 1 1 3 GLU CA C 0.094 20.914 4.147 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_2n0i 1
. 15 . 2472 . 1 1 3 GLU CB C 1.005 22.130 3.947 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_2n0i 1
. 15 . 2473 . 1 1 3 GLU CD C 1.330 24.389 2.816 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_2n0i 1
. 15 . 2474 . 1 1 3 GLU CG C 0.410 23.196 3.036 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_2n0i 1
. 15 . 2475 . 1 1 3 GLU H H 1.494 20.236 5.576 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_2n0i 1
. 15 . 2476 . 1 1 3 GLU HA H -0.817 21.242 4.623 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_2n0i 1
. 15 . 2477 . 1 1 3 GLU HB2 H 1.199 22.580 4.910 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_2n0i 1
. 15 . 2478 . 1 1 3 GLU HB3 H 1.940 21.801 3.518 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_2n0i 1
. 15 . 2479 . 1 1 3 GLU HG2 H 0.198 22.749 2.077 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_2n0i 1
. 15 . 2480 . 1 1 3 GLU HG3 H -0.512 23.549 3.476 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_2n0i 1
. 15 . 2481 . 1 1 3 GLU N N 0.731 19.944 5.037 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_2n0i 1
. 15 . 2482 . 1 1 3 GLU O O 0.613 20.029 1.967 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_2n0i 1
. 15 . 2483 . 1 1 3 GLU OE1 O 2.461 24.392 3.354 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_2n0i 1
. 15 . 2484 . 1 1 3 GLU OE2 O 0.915 25.325 2.102 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_2n0i 1
. 15 . 2485 . 1 1 4 GLY C C -2.039 18.025 1.349 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_2n0i 1
. 15 . 2486 . 1 1 4 GLY CA C -2.051 19.540 1.342 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_2n0i 1
. 15 . 2487 . 1 1 4 GLY H H -2.190 20.348 3.297 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_2n0i 1
. 15 . 2488 . 1 1 4 GLY HA2 H -3.064 19.879 1.183 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_2n0i 1
. 15 . 2489 . 1 1 4 GLY HA3 H -1.435 19.890 0.528 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_2n0i 1
. 15 . 2490 . 1 1 4 GLY N N -1.557 20.108 2.586 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_2n0i 1
. 15 . 2491 . 1 1 4 GLY O O -1.651 17.396 0.364 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_2n0i 1
. 15 . 2492 . 1 1 5 . C C -3.678 15.583 3.513 . . . 1.0 . . . . . . . . . . . . A . 5 HCS C . . . . . . . . . rr_2n0i 1
. 15 . 2493 . 1 1 5 . CA C -2.501 15.991 2.618 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CA . . . . . . . . . rr_2n0i 1
. 15 . 2494 . 1 1 5 . CB C -1.172 15.509 3.205 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CB . . . . . . . . . rr_2n0i 1
. 15 . 2495 . 1 1 5 . CG C -1.011 14.000 3.270 . . . 1.0 . . . . . . . . . . . . A . 5 HCS CG . . . . . . . . . rr_2n0i 1
. 15 . 2496 . 1 1 5 . H H -2.748 18.004 3.220 . . . 1.0 . . . . . . . . . . . . A . 5 HCS H . . . . . . . . . rr_2n0i 1
. 15 . 2497 . 1 1 5 . HB2 H -0.367 15.903 2.602 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB2 . . . . . . . . . rr_2n0i 1
. 15 . 2498 . 1 1 5 . HB3 H -1.078 15.900 4.205 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HB3 . . . . . . . . . rr_2n0i 1
. 15 . 2499 . 1 1 5 . HCA H -2.637 15.556 1.638 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HCA . . . . . . . . . rr_2n0i 1
. 15 . 2500 . 1 1 5 . HG2 H -1.885 13.567 3.733 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG2 . . . . . . . . . rr_2n0i 1
. 15 . 2501 . 1 1 5 . HG3 H -0.897 13.613 2.268 . . . 1.0 . . . . . . . . . . . . A . 5 HCS HG3 . . . . . . . . . rr_2n0i 1
. 15 . 2502 . 1 1 5 . N N -2.462 17.441 2.468 . . . 1.0 . . . . . . . . . . . . A . 5 HCS N . . . . . . . . . rr_2n0i 1
. 15 . 2503 . 1 1 5 . O O -3.535 14.768 4.430 . . . 1.0 . . . . . . . . . . . . A . 5 HCS O . . . . . . . . . rr_2n0i 1
. 15 . 2504 . 1 1 5 . SD S 0.452 13.515 4.239 . . . 1.0 . . . . . . . . . . . . A . 5 HCS SD . . . . . . . . . rr_2n0i 1
. 15 . 2505 . 1 1 6 PHE C C -6.378 14.372 3.961 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2n0i 1
. 15 . 2506 . 1 1 6 PHE CA C -6.065 15.866 3.990 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2n0i 1
. 15 . 2507 . 1 1 6 PHE CB C -7.257 16.669 3.450 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2n0i 1
. 15 . 2508 . 1 1 6 PHE CD1 C -6.077 18.900 3.531 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2n0i 1
. 15 . 2509 . 1 1 6 PHE CD2 C -8.314 18.763 4.349 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2n0i 1
. 15 . 2510 . 1 1 6 PHE CE1 C -6.043 20.246 3.839 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2n0i 1
. 15 . 2511 . 1 1 6 PHE CE2 C -8.284 20.110 4.660 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2n0i 1
. 15 . 2512 . 1 1 6 PHE CG C -7.212 18.140 3.782 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2n0i 1
. 15 . 2513 . 1 1 6 PHE CZ C -7.147 20.851 4.404 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2n0i 1
. 15 . 2514 . 1 1 6 PHE H H -4.896 16.790 2.480 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2n0i 1
. 15 . 2515 . 1 1 6 PHE HA H -5.884 16.158 5.014 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2n0i 1
. 15 . 2516 . 1 1 6 PHE HB2 H -7.286 16.574 2.375 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2n0i 1
. 15 . 2517 . 1 1 6 PHE HB3 H -8.169 16.263 3.865 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2n0i 1
. 15 . 2518 . 1 1 6 PHE HD1 H -5.213 18.431 3.089 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2n0i 1
. 15 . 2519 . 1 1 6 PHE HD2 H -9.203 18.185 4.551 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2n0i 1
. 15 . 2520 . 1 1 6 PHE HE1 H -5.153 20.824 3.638 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2n0i 1
. 15 . 2521 . 1 1 6 PHE HE2 H -9.149 20.583 5.101 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2n0i 1
. 15 . 2522 . 1 1 6 PHE HZ H -7.122 21.904 4.647 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2n0i 1
. 15 . 2523 . 1 1 6 PHE N N -4.849 16.158 3.227 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2n0i 1
. 15 . 2524 . 1 1 6 PHE O O -6.842 13.810 4.954 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2n0i 1
. 15 . 2525 . 1 1 7 THR C C -5.123 11.486 3.125 . . . 1.0 . . . . . . . . . . . . A . 7 THR C . . . . . . . . . rr_2n0i 1
. 15 . 2526 . 1 1 7 THR CA C -6.345 12.299 2.665 . . . 1.0 . . . . . . . . . . . . A . 7 THR CA . . . . . . . . . rr_2n0i 1
. 15 . 2527 . 1 1 7 THR CB C -6.687 11.950 1.196 . . . 1.0 . . . . . . . . . . . . A . 7 THR CB . . . . . . . . . rr_2n0i 1
. 15 . 2528 . 1 1 7 THR CG2 C -7.146 10.503 1.062 . . . 1.0 . . . . . . . . . . . . A . 7 THR CG2 . . . . . . . . . rr_2n0i 1
. 15 . 2529 . 1 1 7 THR H H -5.728 14.233 2.067 . . . 1.0 . . . . . . . . . . . . A . 7 THR H . . . . . . . . . rr_2n0i 1
. 15 . 2530 . 1 1 7 THR HA H -7.192 12.034 3.281 . . . 1.0 . . . . . . . . . . . . A . 7 THR HA . . . . . . . . . rr_2n0i 1
. 15 . 2531 . 1 1 7 THR HB H -5.804 12.092 0.590 . . . 1.0 . . . . . . . . . . . . A . 7 THR HB . . . . . . . . . rr_2n0i 1
. 15 . 2532 . 1 1 7 THR HG1 H -7.340 13.530 0.210 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG1 . . . . . . . . . rr_2n0i 1
. 15 . 2533 . 1 1 7 THR HG21 H -8.179 10.480 0.749 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG21 . . . . . . . . . rr_2n0i 1
. 15 . 2534 . 1 1 7 THR HG22 H -7.048 10.002 2.014 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG22 . . . . . . . . . rr_2n0i 1
. 15 . 2535 . 1 1 7 THR HG23 H -6.537 10.000 0.326 . . . 1.0 . . . . . . . . . . . . A . 7 THR HG23 . . . . . . . . . rr_2n0i 1
. 15 . 2536 . 1 1 7 THR N N -6.107 13.731 2.820 . . . 1.0 . . . . . . . . . . . . A . 7 THR N . . . . . . . . . rr_2n0i 1
. 15 . 2537 . 1 1 7 THR O O -4.756 10.487 2.500 . . . 1.0 . . . . . . . . . . . . A . 7 THR O . . . . . . . . . rr_2n0i 1
. 15 . 2538 . 1 1 7 THR OG1 O -7.726 12.814 0.720 . . . 1.0 . . . . . . . . . . . . A . 7 THR OG1 . . . . . . . . . rr_2n0i 1
. 15 . 2539 . 1 1 8 SER C C -3.625 9.767 5.076 . . . 1.0 . . . . . . . . . . . . A . 8 SER C . . . . . . . . . rr_2n0i 1
. 15 . 2540 . 1 1 8 SER CA C -3.324 11.238 4.779 . . . 1.0 . . . . . . . . . . . . A . 8 SER CA . . . . . . . . . rr_2n0i 1
. 15 . 2541 . 1 1 8 SER CB C -2.855 11.940 6.059 . . . 1.0 . . . . . . . . . . . . A . 8 SER CB . . . . . . . . . rr_2n0i 1
. 15 . 2542 . 1 1 8 SER H H -4.833 12.721 4.681 . . . 1.0 . . . . . . . . . . . . A . 8 SER H . . . . . . . . . rr_2n0i 1
. 15 . 2543 . 1 1 8 SER HA H -2.536 11.290 4.043 . . . 1.0 . . . . . . . . . . . . A . 8 SER HA . . . . . . . . . rr_2n0i 1
. 15 . 2544 . 1 1 8 SER HB2 H -1.978 11.439 6.441 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB2 . . . . . . . . . rr_2n0i 1
. 15 . 2545 . 1 1 8 SER HB3 H -2.614 12.969 5.834 . . . 1.0 . . . . . . . . . . . . A . 8 SER HB3 . . . . . . . . . rr_2n0i 1
. 15 . 2546 . 1 1 8 SER HG H -4.280 12.780 7.115 . . . 1.0 . . . . . . . . . . . . A . 8 SER HG . . . . . . . . . rr_2n0i 1
. 15 . 2547 . 1 1 8 SER N N -4.498 11.920 4.227 . . . 1.0 . . . . . . . . . . . . A . 8 SER N . . . . . . . . . rr_2n0i 1
. 15 . 2548 . 1 1 8 SER O O -2.778 8.897 4.860 . . . 1.0 . . . . . . . . . . . . A . 8 SER O . . . . . . . . . rr_2n0i 1
. 15 . 2549 . 1 1 8 SER OG O -3.864 11.916 7.058 . . . 1.0 . . . . . . . . . . . . A . 8 SER OG . . . . . . . . . rr_2n0i 1
. 15 . 2550 . 1 1 9 ASP C C -5.052 7.177 4.749 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_2n0i 1
. 15 . 2551 . 1 1 9 ASP CA C -5.270 8.147 5.914 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_2n0i 1
. 15 . 2552 . 1 1 9 ASP CB C -6.749 8.149 6.320 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_2n0i 1
. 15 . 2553 . 1 1 9 ASP CG C -7.013 8.984 7.562 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_2n0i 1
. 15 . 2554 . 1 1 9 ASP H H -5.456 10.248 5.726 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_2n0i 1
. 15 . 2555 . 1 1 9 ASP HA H -4.680 7.814 6.753 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_2n0i 1
. 15 . 2556 . 1 1 9 ASP HB2 H -7.338 8.549 5.509 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_2n0i 1
. 15 . 2557 . 1 1 9 ASP HB3 H -7.062 7.134 6.518 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_2n0i 1
. 15 . 2558 . 1 1 9 ASP N N -4.836 9.504 5.576 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_2n0i 1
. 15 . 2559 . 1 1 9 ASP O O -4.645 6.033 4.957 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_2n0i 1
. 15 . 2560 . 1 1 9 ASP OD1 O -6.464 8.646 8.633 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_2n0i 1
. 15 . 2561 . 1 1 9 ASP OD2 O -7.765 9.976 7.462 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_2n0i 1
. 15 . 2562 . 1 1 10 PHE C C -3.739 6.240 2.246 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . rr_2n0i 1
. 15 . 2563 . 1 1 10 PHE CA C -5.154 6.817 2.329 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . rr_2n0i 1
. 15 . 2564 . 1 1 10 PHE CB C -5.461 7.636 1.069 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . rr_2n0i 1
. 15 . 2565 . 1 1 10 PHE CD1 C -5.794 5.589 -0.357 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . rr_2n0i 1
. 15 . 2566 . 1 1 10 PHE CD2 C -4.614 7.443 -1.287 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . rr_2n0i 1
. 15 . 2567 . 1 1 10 PHE CE1 C -5.631 4.889 -1.538 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . rr_2n0i 1
. 15 . 2568 . 1 1 10 PHE CE2 C -4.449 6.747 -2.471 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . rr_2n0i 1
. 15 . 2569 . 1 1 10 PHE CG C -5.287 6.873 -0.218 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . rr_2n0i 1
. 15 . 2570 . 1 1 10 PHE CZ C -4.957 5.469 -2.596 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . rr_2n0i 1
. 15 . 2571 . 1 1 10 PHE H H -5.642 8.564 3.429 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . rr_2n0i 1
. 15 . 2572 . 1 1 10 PHE HA H -5.856 6.000 2.393 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . rr_2n0i 1
. 15 . 2573 . 1 1 10 PHE HB2 H -6.483 7.978 1.113 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB2 . . . . . . . . . rr_2n0i 1
. 15 . 2574 . 1 1 10 PHE HB3 H -4.803 8.492 1.039 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . rr_2n0i 1
. 15 . 2575 . 1 1 10 PHE HD1 H -6.321 5.136 0.470 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . rr_2n0i 1
. 15 . 2576 . 1 1 10 PHE HD2 H -4.216 8.442 -1.190 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . rr_2n0i 1
. 15 . 2577 . 1 1 10 PHE HE1 H -6.030 3.890 -1.633 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . rr_2n0i 1
. 15 . 2578 . 1 1 10 PHE HE2 H -3.921 7.203 -3.296 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . rr_2n0i 1
. 15 . 2579 . 1 1 10 PHE HZ H -4.828 4.923 -3.519 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . rr_2n0i 1
. 15 . 2580 . 1 1 10 PHE N N -5.323 7.642 3.527 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . rr_2n0i 1
. 15 . 2581 . 1 1 10 PHE O O -3.555 5.087 1.851 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . rr_2n0i 1
. 15 . 2582 . 1 1 11 . C C -1.101 5.470 3.567 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 C . . . . . . . . . rr_2n0i 1
. 15 . 2583 . 1 1 11 . CA C -1.348 6.622 2.588 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CA . . . . . . . . . rr_2n0i 1
. 15 . 2584 . 1 1 11 . CB C -0.423 7.797 2.922 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CB . . . . . . . . . rr_2n0i 1
. 15 . 2585 . 1 1 11 . CD1 C 2.736 5.978 -0.409 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD1 . . . . . . . . . rr_2n0i 1
. 15 . 2586 . 1 1 11 . CD2 C 3.636 6.607 1.709 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CD2 . . . . . . . . . rr_2n0i 1
. 15 . 2587 . 1 1 11 . CE1 C 3.919 5.337 -0.724 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE1 . . . . . . . . . rr_2n0i 1
. 15 . 2588 . 1 1 11 . CE2 C 4.821 5.966 1.399 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CE2 . . . . . . . . . rr_2n0i 1
. 15 . 2589 . 1 1 11 . CG C 2.580 6.621 0.809 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CG . . . . . . . . . rr_2n0i 1
. 15 . 2590 . 1 1 11 . CI C 1.045 7.525 2.628 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CI . . . . . . . . . rr_2n0i 1
. 15 . 2591 . 1 1 11 . CJ C 1.287 7.320 1.139 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CJ . . . . . . . . . rr_2n0i 1
. 15 . 2592 . 1 1 11 . CZ C 4.962 5.330 0.181 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 CZ . . . . . . . . . rr_2n0i 1
. 15 . 2593 . 1 1 11 . HA H -1.131 6.279 1.588 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HA . . . . . . . . . rr_2n0i 1
. 15 . 2594 . 1 1 11 . HB H -0.730 8.657 2.345 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HB . . . . . . . . . rr_2n0i 1
. 15 . 2595 . 1 1 11 . HBA H -0.520 8.028 3.973 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HBA . . . . . . . . . rr_2n0i 1
. 15 . 2596 . 1 1 11 . HD1 H 1.922 5.982 -1.119 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD1 . . . . . . . . . rr_2n0i 1
. 15 . 2597 . 1 1 11 . HD2 H 3.527 7.103 2.662 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HD2 . . . . . . . . . rr_2n0i 1
. 15 . 2598 . 1 1 11 . HE1 H 4.028 4.840 -1.677 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE1 . . . . . . . . . rr_2n0i 1
. 15 . 2599 . 1 1 11 . HE2 H 5.634 5.962 2.109 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HE2 . . . . . . . . . rr_2n0i 1
. 15 . 2600 . 1 1 11 . HI H 1.632 8.366 2.966 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HI . . . . . . . . . rr_2n0i 1
. 15 . 2601 . 1 1 11 . HIA H 1.349 6.635 3.160 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HIA . . . . . . . . . rr_2n0i 1
. 15 . 2602 . 1 1 11 . HJ H 1.298 8.285 0.656 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJ . . . . . . . . . rr_2n0i 1
. 15 . 2603 . 1 1 11 . HJA H 0.477 6.730 0.736 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HJA . . . . . . . . . rr_2n0i 1
. 15 . 2604 . 1 1 11 . HN H -2.960 7.955 2.923 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HN . . . . . . . . . rr_2n0i 1
. 15 . 2605 . 1 1 11 . HZ H 5.887 4.830 -0.063 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 HZ . . . . . . . . . rr_2n0i 1
. 15 . 2606 . 1 1 11 . N N -2.746 7.049 2.619 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 N . . . . . . . . . rr_2n0i 1
. 15 . 2607 . 1 1 11 . O O -0.355 4.539 3.266 . . . 1.0 . . . . . . . . . . . . A . 11 PH8 O . . . . . . . . . rr_2n0i 1
. 15 . 2608 . 1 1 12 NH2 HN1 H -2.309 6.302 4.921 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . rr_2n0i 1
. 15 . 2609 . 1 1 12 NH2 HN2 H -1.581 4.805 5.382 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . rr_2n0i 1
. 15 . 2610 . 1 1 12 NH2 N N -1.727 5.533 4.742 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . rr_2n0i 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_2n0i
_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 2n0i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2n0i 1
1 2n0i.mr . . XPLOR/CNS 2 distance NOE simple 62 rr_2n0i 1
1 2n0i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 8 rr_2n0i 1
1 2n0i.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2n0i 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_2n0i
_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 "From CCPN project: '2n0i'" . . . . distance "general distance" . 26 rr_2n0i 1
2 "From CCPN project: '2n0i'" . . . . distance "hydrogen bond" . 2 rr_2n0i 1
stop_
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 2n0i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2n0i 1
1 2n0i.mr . . XPLOR/CNS 2 distance NOE simple 62 rr_2n0i 1
1 2n0i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 8 rr_2n0i 1
1 2n0i.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2n0i 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_2n0i
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2n0i 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 1 1 HIS HA H . . . 1 1 3 3 GLU H H . . . . . 0.0 0.0 5.0 . . . . . A . 1 HIS HA . . A . 3 GLU H . . . 1 . HA . . . . . 3 . HN . . rr_2n0i 1
2 1 . . 1 1 4 4 GLY H H . . . 1 1 3 3 GLU HA H . . . . . 0.0 0.0 2.7 . . . . . A . 4 GLY H . . A . 3 GLU HA . . . 4 . HN . . . . . 3 . HA . . rr_2n0i 1
3 1 . . 1 1 3 3 GLU H H . . . 1 1 4 4 GLY H H . . . . . 0.0 0.0 5.0 . . . . . A . 3 GLU H . . A . 4 GLY H . . . 3 . HN . . . . . 4 . HN . . rr_2n0i 1
4 1 . . 1 1 4 4 GLY H H . . . 1 1 3 3 GLU HB3 H . . . . . 0.0 0.0 5.0 . . . . . A . 4 GLY H . . A . 3 GLU HB3 . . . 4 . HN . . . . . 3 . HB1 . . rr_2n0i 1
5 1 . . 1 1 4 4 GLY H H . . . 1 1 3 3 GLU HB2 H . . . . . 0.0 0.0 5.0 . . . . . A . 4 GLY H . . A . 3 GLU HB2 . . . 4 . HN . . . . . 3 . HB2 . . rr_2n0i 1
6 1 . . 1 1 4 4 GLY HA3 H . . . 1 1 6 6 PHE H H . . . . . 0.0 0.0 5.0 . . . . . A . 4 GLY HA3 . . A . 6 PHE H . . . 4 . HA1 . . . . . 6 . HN . . rr_2n0i 1
7 1 . . 1 1 4 4 GLY H H . . . 1 1 6 6 PHE H H . . . . . 0.0 0.0 6.0 . . . . . A . 4 GLY H . . A . 6 PHE H . . . 4 . HN . . . . . 6 . HN . . rr_2n0i 1
8 1 . . 1 1 6 6 PHE H H . . . 1 1 7 7 THR H H . . . . . 0.0 0.0 3.5 . . . . . A . 6 PHE H . . A . 7 THR H . . . 6 . HN . . . . . 7 . HN . . rr_2n0i 1
9 1 . . 1 1 7 7 THR H H . . . 1 1 6 6 PHE HB3 H . . . . . 0.0 0.0 6.0 . . . . . A . 7 THR H . . A . 6 PHE HB3 . . . 7 . HN . . . . . 6 . HB1 . . rr_2n0i 1
10 1 . . 1 1 7 7 THR H H . . . 1 1 6 6 PHE HB2 H . . . . . 0.0 0.0 6.0 . . . . . A . 7 THR H . . A . 6 PHE HB2 . . . 7 . HN . . . . . 6 . HB2 . . rr_2n0i 1
11 1 . . 1 1 6 6 PHE H H . . . 1 1 8 8 SER H H . . . . . 0.0 0.0 6.0 . . . . . A . 6 PHE H . . A . 8 SER H . . . 6 . HN . . . . . 8 . HN . . rr_2n0i 1
12 1 . . 1 1 8 8 SER H H . . . 1 1 7 7 THR HA H . . . . . 0.0 0.0 3.5 . . . . . A . 8 SER H . . A . 7 THR HA . . . 8 . HN . . . . . 7 . HA . . rr_2n0i 1
13 1 . . 1 1 7 7 THR HA H . . . 1 1 9 9 ASP H H . . . . . 0.0 0.0 6.0 . . . . . A . 7 THR HA . . A . 9 ASP H . . . 7 . HA . . . . . 9 . HN . . rr_2n0i 1
14 1 . . 1 1 7 7 THR HA H . . . 1 1 10 10 PHE H H . . . . . 0.0 0.0 5.0 . . . . . A . 7 THR HA . . A . 10 PHE H . . . 7 . HA . . . . . 10 . HN . . rr_2n0i 1
15 1 . . 1 1 7 7 THR H H . . . 1 1 8 8 SER H H . . . . . 0.0 0.0 3.5 . . . . . A . 7 THR H . . A . 8 SER H . . . 7 . HN . . . . . 8 . HN . . rr_2n0i 1
16 1 . . 1 1 8 8 SER H H . . . 1 1 7 7 THR HB H . . . . . 0.0 0.0 6.0 . . . . . A . 8 SER H . . A . 7 THR HB . . . 8 . HN . . . . . 7 . HB . . rr_2n0i 1
17 1 OR . 1 1 7 7 THR HA H . . . 1 1 10 10 PHE HB3 H . . . . . 0.0 0.0 6.0 . . . . . A . 7 THR HA . . A . 10 PHE HB3 . . . 7 . HA . . . . . 10 . HB* . . rr_2n0i 1
17 2 OR . 1 1 7 7 THR HA H . . . 1 1 10 10 PHE HB2 H . . . . . 0.0 0.0 6.0 . . . . . A . 7 THR HA . . A . 10 PHE HB2 . . . 7 . HA . . . . . 10 . HB* . . rr_2n0i 1
18 1 . . 1 1 9 9 ASP H H . . . 1 1 8 8 SER HA H . . . . . 0.0 0.0 3.5 . . . . . A . 9 ASP H . . A . 8 SER HA . . . 9 . HN . . . . . 8 . HA . . rr_2n0i 1
19 1 . . 1 1 10 10 PHE H H . . . 1 1 8 8 SER HA H . . . . . 0.0 0.0 5.0 . . . . . A . 10 PHE H . . A . 8 SER HA . . . 10 . HN . . . . . 8 . HA . . rr_2n0i 1
20 1 . . 1 1 8 8 SER H H . . . 1 1 9 9 ASP H H . . . . . 0.0 0.0 3.5 . . . . . A . 8 SER H . . A . 9 ASP H . . . 8 . HN . . . . . 9 . HN . . rr_2n0i 1
21 1 OR . 1 1 9 9 ASP H H . . . 1 1 8 8 SER HB2 H . . . . . 0.0 0.0 6.0 . . . . . A . 9 ASP H . . A . 8 SER HB2 . . . 9 . HN . . . . . 8 . HB* . . rr_2n0i 1
21 2 OR . 1 1 9 9 ASP H H . . . 1 1 8 8 SER HB3 H . . . . . 0.0 0.0 6.0 . . . . . A . 9 ASP H . . A . 8 SER HB3 . . . 9 . HN . . . . . 8 . HB* . . rr_2n0i 1
22 1 OR . 1 1 7 7 THR H H . . . 1 1 8 8 SER HB2 H . . . . . 0.0 0.0 6.0 . . . . . A . 7 THR H . . A . 8 SER HB2 . . . 7 . HN . . . . . 8 . HB* . . rr_2n0i 1
22 2 OR . 1 1 7 7 THR H H . . . 1 1 8 8 SER HB3 H . . . . . 0.0 0.0 6.0 . . . . . A . 7 THR H . . A . 8 SER HB3 . . . 7 . HN . . . . . 8 . HB* . . rr_2n0i 1
23 1 . . 1 1 10 10 PHE H H . . . 1 1 9 9 ASP HA H . . . . . 0.0 0.0 3.5 . . . . . A . 10 PHE H . . A . 9 ASP HA . . . 10 . HN . . . . . 9 . HA . . rr_2n0i 1
24 1 . . 1 1 9 9 ASP H H . . . 1 1 10 10 PHE H H . . . . . 0.0 0.0 3.5 . . . . . A . 9 ASP H . . A . 10 PHE H . . . 9 . HN . . . . . 10 . HN . . rr_2n0i 1
25 1 . . 1 1 10 10 PHE H H . . . 1 1 9 9 ASP HB3 H . . . . . 0.0 0.0 6.0 . . . . . A . 10 PHE H . . A . 9 ASP HB3 . . . 10 . HN . . . . . 9 . HB1 . . rr_2n0i 1
26 1 . . 1 1 10 10 PHE H H . . . 1 1 9 9 ASP HB2 H . . . . . 0.0 0.0 6.0 . . . . . A . 10 PHE H . . A . 9 ASP HB2 . . . 10 . HN . . . . . 9 . HB2 . . rr_2n0i 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
;DapARA-NH2 cyclic NOE Assignment Table (from visual inspection)
H A E G T F T S D F F NH2 10-9(S) 8-6(M) 5-3 (W) and 2-1 (vW)
H1
;
1 1 5 4 rr_2n0i 1
2 m 6 74 6 77 rr_2n0i 1
3
;(2)vw
assi(resi 1 and name HA )(resi 4 and name HN ) 0.0 0.0 6.0 ! (2)vw, ov
;
7 74 8 86 rr_2n0i 1
4 (6)m 9 74 9 80 rr_2n0i 1
5 (5)w 10 74 10 80 rr_2n0i 1
6
;(7)m + 1.5 corr
hC2
;
11 75 13 5 rr_2n0i 1
7 (5)w 14 75 14 81 rr_2n0i 1
8 (5)w 15 75 15 81 rr_2n0i 1
9 (5)w 16 75 16 81 rr_2n0i 1
10 (2)vw 17 75 17 82 rr_2n0i 1
11
;(9)s + 1.5 corr
assi(resi 2 and name HB* )(resi 4 and name HN ) 0.0 0.0 6.0 ! (5)w + 1.0 corr
assi(resi 2 and name HB* )(resi 5 and name HN ) 0.0 0.0 6.0 ! (2)vw + no corr
E3
;
18 75 22 4 rr_2n0i 1
12 (8)m 23 76 23 82 rr_2n0i 1
13 "(ov correted" 24 76 24 90 rr_2n0i 1
14
;(6)m
assi(resi 3 and name HN )(resi 5 and name HN ) 0.0 0.0 6.0 ! (1)vw
;
27 76 30 84 rr_2n0i 1
15 (4)w 31 76 31 82 rr_2n0i 1
16
;(4)w
assi(resi 3 and name HA )(resi 2 and name HB* ) 0.0 0.0 6.0 ! (2 vw no corr
G4
;
32 76 35 4 rr_2n0i 1
17 (6)m 36 80 36 86 rr_2n0i 1
18
;(1)vw
assi(resi 4 and name HA1 )(resi 8 and name HN ) 0.0 0.0 6.0 ! (1)vw, ov
;
37 80 38 92 rr_2n0i 1
19 (6)m 39 80 39 86 rr_2n0i 1
20
;(2 vw
assi(resi 4 and name HA1 )(resi 7 and name HB ) 0.0 0.0 6.0 ! (2 vw
;
40 80 41 88 rr_2n0i 1
21
;(2)vw
T5
;
42 79 43 4 rr_2n0i 1
22 (5)w 44 79 44 85 rr_2n0i 1
23 (3)w 45 79 45 85 rr_2n0i 1
24
;(3)w
assi(resi 5 and name HA )(resi 4 and name HN ) 0.0 0.0 6.0 ! (2)w
;
46 79 47 86 rr_2n0i 1
25
;(4)w
assi(resi 5 and name HN )(resi 7 and name HN ) 0.0 0.0 5.0 ! (3)w
assi(resi 5 and name HB )(resi 6 and name HN ) 0.0 0.0 5.0 ! (4)w
assi(resi 5 and name HB )(resi 7 and name HN ) 0.0 0.0 6.0 ! (2)vw
assi(resi 5 and name HB )(resi 8 and name HN ) 0.0 0.0 6.0 ! (2)vw
assi(resi 5 and name HB )(resi 4 and name HN ) 0.0 0.0 6.0 ! (1)vw
assi(resi 5 and name HA )(resi 7 and name HB ) 0.0 0.0 5.0 ! (3)w
assi(resi 5 and name HA )(resi 6 and name HB* ) 0.0 0.0 6.0 ! (1 vw no corr
F6
;
48 79 59 4 rr_2n0i 1
26 (4)w 60 79 60 85 rr_2n0i 1
27 (6)m 61 79 61 85 rr_2n0i 1
28 "(2 vw" 62 79 62 86 rr_2n0i 1
29 "(5 w" 63 79 63 85 rr_2n0i 1
30 "(2 vw" 64 79 64 86 rr_2n0i 1
31
;(1)vw
T7
;
65 79 66 4 rr_2n0i 1
32 (6)m 67 79 67 85 rr_2n0i 1
33 (3)w 68 79 68 85 rr_2n0i 1
34
;(3)w
assi(resi 7 and name HA )(resi 11 and name HN ) 0.0 0.0 6.0 ! (1)vw ov
assi(resi 7 and name HA )(resi 6 and name HN ) 0.0 0.0 6.0 ! (1)vw
;
69 79 71 88 rr_2n0i 1
35
;(6)m, ov
assi(resi 7 and name HN )(resi 9 and name HN ) 0.0 0.0 6.0 ! (2)vw
;
72 79 73 87 rr_2n0i 1
36 (6)m 74 79 74 85 rr_2n0i 1
37
;(1 vw no corr
assi(resi 7 and name HA )(resi 5 and name HB ) 0.0 0.0 6.0 ! (2 vw
S8
;
75 80 78 4 rr_2n0i 1
38 (5)w 79 79 79 85 rr_2n0i 1
39 (2)vw 80 79 80 86 rr_2n0i 1
40
;(2)vw ov
assi(resi 8 and name HA )(resi 7 and name HN ) 0.0 0.0 6.0 ! (2)vw
assi(resi 8 and name HA )(resi 11 and name H1 ) 0.0 0.0 5.0 ! (3)w
assi(resi 8 and name HA )(resi 11 and name H2 ) 0.0 0.0 6.0 ! (1)vw
;
81 79 84 88 rr_2n0i 1
41 (7)m 85 79 85 85 rr_2n0i 1
42 "(4 w + 1 corr" 86 79 86 94 rr_2n0i 1
43
;(1 v w + no corr
D9
;
87 79 89 4 rr_2n0i 1
44 "(1)vw ov" 90 79 90 89 rr_2n0i 1
45 (7)m 91 79 91 85 rr_2n0i 1
46 (4)w 92 80 92 86 rr_2n0i 1
47 (3)w 93 80 93 86 rr_2n0i 1
48 "(2 vw" 94 80 94 87 rr_2n0i 1
49
;(2 vw
F10
;
95 80 97 5 rr_2n0i 1
50 (6)m 98 79 98 85 rr_2n0i 1
51 "(1)vw ov" 99 79 99 89 rr_2n0i 1
52 (6)m 100 79 100 85 rr_2n0i 1
53 (1)vw 101 79 101 87 rr_2n0i 1
54 "(4 w" 102 80 102 86 rr_2n0i 1
55
;(4 w
F11
assi(resi 11 and name HA )(resi 10 and name HN ) 0.0 0.0 6.0 ! (2)vw
;
103 80 106 87 rr_2n0i 1
56 (4)w 107 79 107 86 rr_2n0i 1
57 (3)w 108 79 108 85 rr_2n0i 1
58 (6)m 109 79 109 86 rr_2n0i 1
59 (4)w 110 79 110 85 rr_2n0i 1
60 "(2 vw" 111 80 111 87 rr_2n0i 1
61 "(2 vw" 112 80 112 87 rr_2n0i 1
62 (3w 113 79 113 84 rr_2n0i 1
63 "(1 vw" 114 80 114 87 rr_2n0i 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) ' .2.HN' (nmrStar names) not linked" rr_2n0i 1
2 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" rr_2n0i 1
3 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" rr_2n0i 1
4 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .2.HB*' (nmrStar names) not linked" rr_2n0i 1
5 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" rr_2n0i 1
6 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .2.HA' (nmrStar names) not linked" rr_2n0i 1
7 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .2.HA' (nmrStar names) not linked" rr_2n0i 1
8 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .2.HA' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_2n0i 1
9 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .2.HB*' (nmrStar names) not linked" rr_2n0i 1
10 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
11 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
12 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
13 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .5.HB' (nmrStar names) not linked" rr_2n0i 1
14 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" rr_2n0i 1
15 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" rr_2n0i 1
16 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" rr_2n0i 1
17 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
18 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
19 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
20 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
21 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
22 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
23 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
24 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .11.H1' (nmrStar names) not linked" rr_2n0i 1
25 2 51 1 "Distance restraint (original ID 51) deleted - no constraint items left." rr_2n0i 1
26 2 51 1 "Not handling item from distance restraint (original ID 51) - duplicate resonances" rr_2n0i 1
27 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .11.H1' (nmrStar names) not linked" rr_2n0i 1
28 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
29 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
30 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .11.H1' (nmrStar names),' .11.HA' (nmrStar names) not linked" rr_2n0i 1
31 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .11.HA' (nmrStar names),' .11.H2' (nmrStar names) not linked" rr_2n0i 1
32 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.H1' (nmrStar names) not linked" rr_2n0i 1
33 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.H2' (nmrStar names) not linked" rr_2n0i 1
34 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .11.H1' (nmrStar names),' .11.HB1' (nmrStar names) not linked" rr_2n0i 1
35 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .11.H2' (nmrStar names),' .11.HB1' (nmrStar names) not linked" rr_2n0i 1
36 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .11.H1' (nmrStar names),' .11.HB2' (nmrStar names) not linked" rr_2n0i 1
37 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .11.H2' (nmrStar names),' .11.HB2' (nmrStar names) not linked" rr_2n0i 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_2n0i
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2n0i 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 10 10 PHE H H . . . 1 1 7 7 THR O O . . . . . 1.88 1.58 2.3 . . . . . A . 10 PHE H . . A . 7 THR O . . . 10 . HN . . . . . 7 . O . . rr_2n0i 2
2 1 . . 1 1 7 7 THR O O . . . 1 1 10 10 PHE N N . . . . . 2.88 2.58 3.3 . . . . . A . 7 THR O . . A . 10 PHE N . . . 7 . O . . . . . 10 . N . . rr_2n0i 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 H-Bonds 1 1 1 9 rr_2n0i 2
2
;assign (resid 1 and name O )(resid 4 and name HN ) 1.88 0.3 0.42
assign (resid 1 and name O )(resid 4 and name N ) 2.88 0.3 0.42
assign (resid 5 and name O )(resid 9 and name HN ) 1.88 0.3 0.42
assign (resid 5 and name O )(resid 9 and name N ) 2.88 0.3 0.42
;
12 1 16 75 rr_2n0i 2
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HN' (nmrStar names),' .2.O' (nmrStar names) not linked" rr_2n0i 2
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .2.O' (nmrStar names),' .5.N' (nmrStar names) not linked" rr_2n0i 2
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_2n0i 2
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_2n0i 2
5 3 7 1 "Not handling restraint 7, item 1, resonance(s) ' .11.H1' (nmrStar names) not linked" rr_2n0i 2
6 3 8 1 "Not handling restraint 8, item 1, resonance(s) ' .11.NT' (nmrStar names) not linked" rr_2n0i 2
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_2n0i
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2n0i 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2n0i 1
2 1 . . . rr_2n0i 1
3 1 . . . rr_2n0i 1
4 1 . . . rr_2n0i 1
5 1 . . . rr_2n0i 1
6 1 . . . rr_2n0i 1
7 1 . . . rr_2n0i 1
8 1 . . . rr_2n0i 1
9 1 . . . rr_2n0i 1
10 1 . . . rr_2n0i 1
11 1 . . . rr_2n0i 1
12 1 . . . rr_2n0i 1
13 1 . . . rr_2n0i 1
14 1 . . . rr_2n0i 1
15 1 . . . rr_2n0i 1
16 1 . . . rr_2n0i 1
17 1 2 . OR rr_2n0i 1
17 2 . 3 . rr_2n0i 1
17 3 . . . rr_2n0i 1
18 1 . . . rr_2n0i 1
19 1 . . . rr_2n0i 1
20 1 . . . rr_2n0i 1
21 1 2 . OR rr_2n0i 1
21 2 . 3 . rr_2n0i 1
21 3 . . . rr_2n0i 1
22 1 2 . OR rr_2n0i 1
22 2 . 3 . rr_2n0i 1
22 3 . . . rr_2n0i 1
23 1 . . . rr_2n0i 1
24 1 . . . rr_2n0i 1
25 1 . . . rr_2n0i 1
26 1 . . . rr_2n0i 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 1 1 HIS HA H . . . . 1 . HA rr_2n0i 1
1 1 . 2 . 1 1 3 3 GLU H H . . . . 3 . HN rr_2n0i 1
2 1 . 1 . 1 1 3 3 GLU HA H . . . . 3 . HA rr_2n0i 1
2 1 . 2 . 1 1 4 4 GLY H H . . . . 4 . HN rr_2n0i 1
3 1 . 1 . 1 1 3 3 GLU H H . . . . 3 . HN rr_2n0i 1
3 1 . 2 . 1 1 4 4 GLY H H . . . . 4 . HN rr_2n0i 1
4 1 . 1 . 1 1 3 3 GLU HB3 H . . . . 3 . HB1 rr_2n0i 1
4 1 . 2 . 1 1 4 4 GLY H H . . . . 4 . HN rr_2n0i 1
5 1 . 1 . 1 1 3 3 GLU HB2 H . . . . 3 . HB2 rr_2n0i 1
5 1 . 2 . 1 1 4 4 GLY H H . . . . 4 . HN rr_2n0i 1
6 1 . 1 . 1 1 4 4 GLY HA3 H . . . . 4 . HA1 rr_2n0i 1
6 1 . 2 . 1 1 6 6 PHE H H . . . . 6 . HN rr_2n0i 1
7 1 . 1 . 1 1 4 4 GLY H H . . . . 4 . HN rr_2n0i 1
7 1 . 2 . 1 1 6 6 PHE H H . . . . 6 . HN rr_2n0i 1
8 1 . 1 . 1 1 6 6 PHE H H . . . . 6 . HN rr_2n0i 1
8 1 . 2 . 1 1 7 7 THR H H . . . . 7 . HN rr_2n0i 1
9 1 . 1 . 1 1 6 6 PHE HB3 H . . . . 6 . HB1 rr_2n0i 1
9 1 . 2 . 1 1 7 7 THR H H . . . . 7 . HN rr_2n0i 1
10 1 . 1 . 1 1 6 6 PHE HB2 H . . . . 6 . HB2 rr_2n0i 1
10 1 . 2 . 1 1 7 7 THR H H . . . . 7 . HN rr_2n0i 1
11 1 . 1 . 1 1 6 6 PHE H H . . . . 6 . HN rr_2n0i 1
11 1 . 2 . 1 1 8 8 SER H H . . . . 8 . HN rr_2n0i 1
12 1 . 1 . 1 1 7 7 THR HA H . . . . 7 . HA rr_2n0i 1
12 1 . 2 . 1 1 8 8 SER H H . . . . 8 . HN rr_2n0i 1
13 1 . 1 . 1 1 7 7 THR HA H . . . . 7 . HA rr_2n0i 1
13 1 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_2n0i 1
14 1 . 1 . 1 1 7 7 THR HA H . . . . 7 . HA rr_2n0i 1
14 1 . 2 . 1 1 10 10 PHE H H . . . . 10 . HN rr_2n0i 1
15 1 . 1 . 1 1 7 7 THR H H . . . . 7 . HN rr_2n0i 1
15 1 . 2 . 1 1 8 8 SER H H . . . . 8 . HN rr_2n0i 1
16 1 . 1 . 1 1 7 7 THR HB H . . . . 7 . HB rr_2n0i 1
16 1 . 2 . 1 1 8 8 SER H H . . . . 8 . HN rr_2n0i 1
17 2 . 1 . 1 1 7 7 THR HA H . . . . 7 . HA rr_2n0i 1
17 2 . 2 . 1 1 10 10 PHE HB3 H . . . . 10 . HB* rr_2n0i 1
17 3 . 1 . 1 1 7 7 THR HA H . . . . 7 . HA rr_2n0i 1
17 3 . 2 . 1 1 10 10 PHE HB2 H . . . . 10 . HB* rr_2n0i 1
18 1 . 1 . 1 1 8 8 SER HA H . . . . 8 . HA rr_2n0i 1
18 1 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_2n0i 1
19 1 . 1 . 1 1 8 8 SER HA H . . . . 8 . HA rr_2n0i 1
19 1 . 2 . 1 1 10 10 PHE H H . . . . 10 . HN rr_2n0i 1
20 1 . 1 . 1 1 8 8 SER H H . . . . 8 . HN rr_2n0i 1
20 1 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_2n0i 1
21 2 . 1 . 1 1 8 8 SER HB2 H . . . . 8 . HB* rr_2n0i 1
21 2 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_2n0i 1
21 3 . 1 . 1 1 8 8 SER HB3 H . . . . 8 . HB* rr_2n0i 1
21 3 . 2 . 1 1 9 9 ASP H H . . . . 9 . HN rr_2n0i 1
22 2 . 1 . 1 1 8 8 SER HB2 H . . . . 8 . HB* rr_2n0i 1
22 2 . 2 . 1 1 7 7 THR H H . . . . 7 . HN rr_2n0i 1
22 3 . 1 . 1 1 8 8 SER HB3 H . . . . 8 . HB* rr_2n0i 1
22 3 . 2 . 1 1 7 7 THR H H . . . . 7 . HN rr_2n0i 1
23 1 . 1 . 1 1 9 9 ASP HA H . . . . 9 . HA rr_2n0i 1
23 1 . 2 . 1 1 10 10 PHE H H . . . . 10 . HN rr_2n0i 1
24 1 . 1 . 1 1 9 9 ASP H H . . . . 9 . HN rr_2n0i 1
24 1 . 2 . 1 1 10 10 PHE H H . . . . 10 . HN rr_2n0i 1
25 1 . 1 . 1 1 9 9 ASP HB3 H . . . . 9 . HB1 rr_2n0i 1
25 1 . 2 . 1 1 10 10 PHE H H . . . . 10 . HN rr_2n0i 1
26 1 . 1 . 1 1 9 9 ASP HB2 H . . . . 9 . HB2 rr_2n0i 1
26 1 . 2 . 1 1 10 10 PHE H H . . . . 10 . HN rr_2n0i 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 0.0 0.0 5.0 rr_2n0i 1
2 1 . . . . . . 0.0 0.0 2.7 rr_2n0i 1
3 1 . . . . . . 0.0 0.0 5.0 rr_2n0i 1
4 1 . . . . . . 0.0 0.0 5.0 rr_2n0i 1
5 1 . . . . . . 0.0 0.0 5.0 rr_2n0i 1
6 1 . . . . . . 0.0 0.0 5.0 rr_2n0i 1
7 1 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
8 1 . . . . . . 0.0 0.0 3.5 rr_2n0i 1
9 1 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
10 1 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
11 1 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
12 1 . . . . . . 0.0 0.0 3.5 rr_2n0i 1
13 1 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
14 1 . . . . . . 0.0 0.0 5.0 rr_2n0i 1
15 1 . . . . . . 0.0 0.0 3.5 rr_2n0i 1
16 1 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
17 2 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
17 3 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
18 1 . . . . . . 0.0 0.0 3.5 rr_2n0i 1
19 1 . . . . . . 0.0 0.0 5.0 rr_2n0i 1
20 1 . . . . . . 0.0 0.0 3.5 rr_2n0i 1
21 2 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
21 3 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
22 2 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
22 3 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
23 1 . . . . . . 0.0 0.0 3.5 rr_2n0i 1
24 1 . . . . . . 0.0 0.0 3.5 rr_2n0i 1
25 1 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
26 1 . . . . . . 0.0 0.0 6.0 rr_2n0i 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;DapARA-NH2 cyclic NOE Assignment Table (from visual inspection)
H A E G T F T S D F F NH2 10-9(S) 8-6(M) 5-3 (W) and 2-1 (vW)
H1
;
1 1 5 4 rr_2n0i 1
2 m 6 74 6 77 rr_2n0i 1
3
;(2)vw
assi(resi 1 and name HA )(resi 4 and name HN ) 0.0 0.0 6.0 ! (2)vw, ov
;
7 74 8 86 rr_2n0i 1
4 (6)m 9 74 9 80 rr_2n0i 1
5 (5)w 10 74 10 80 rr_2n0i 1
6
;(7)m + 1.5 corr
hC2
;
11 75 13 5 rr_2n0i 1
7 (5)w 14 75 14 81 rr_2n0i 1
8 (5)w 15 75 15 81 rr_2n0i 1
9 (5)w 16 75 16 81 rr_2n0i 1
10 (2)vw 17 75 17 82 rr_2n0i 1
11
;(9)s + 1.5 corr
assi(resi 2 and name HB* )(resi 4 and name HN ) 0.0 0.0 6.0 ! (5)w + 1.0 corr
assi(resi 2 and name HB* )(resi 5 and name HN ) 0.0 0.0 6.0 ! (2)vw + no corr
E3
;
18 75 22 4 rr_2n0i 1
12 (8)m 23 76 23 82 rr_2n0i 1
13 "(ov correted" 24 76 24 90 rr_2n0i 1
14
;(6)m
assi(resi 3 and name HN )(resi 5 and name HN ) 0.0 0.0 6.0 ! (1)vw
;
27 76 30 84 rr_2n0i 1
15 (4)w 31 76 31 82 rr_2n0i 1
16
;(4)w
assi(resi 3 and name HA )(resi 2 and name HB* ) 0.0 0.0 6.0 ! (2 vw no corr
G4
;
32 76 35 4 rr_2n0i 1
17 (6)m 36 80 36 86 rr_2n0i 1
18
;(1)vw
assi(resi 4 and name HA1 )(resi 8 and name HN ) 0.0 0.0 6.0 ! (1)vw, ov
;
37 80 38 92 rr_2n0i 1
19 (6)m 39 80 39 86 rr_2n0i 1
20
;(2 vw
assi(resi 4 and name HA1 )(resi 7 and name HB ) 0.0 0.0 6.0 ! (2 vw
;
40 80 41 88 rr_2n0i 1
21
;(2)vw
T5
;
42 79 43 4 rr_2n0i 1
22 (5)w 44 79 44 85 rr_2n0i 1
23 (3)w 45 79 45 85 rr_2n0i 1
24
;(3)w
assi(resi 5 and name HA )(resi 4 and name HN ) 0.0 0.0 6.0 ! (2)w
;
46 79 47 86 rr_2n0i 1
25
;(4)w
assi(resi 5 and name HN )(resi 7 and name HN ) 0.0 0.0 5.0 ! (3)w
assi(resi 5 and name HB )(resi 6 and name HN ) 0.0 0.0 5.0 ! (4)w
assi(resi 5 and name HB )(resi 7 and name HN ) 0.0 0.0 6.0 ! (2)vw
assi(resi 5 and name HB )(resi 8 and name HN ) 0.0 0.0 6.0 ! (2)vw
assi(resi 5 and name HB )(resi 4 and name HN ) 0.0 0.0 6.0 ! (1)vw
assi(resi 5 and name HA )(resi 7 and name HB ) 0.0 0.0 5.0 ! (3)w
assi(resi 5 and name HA )(resi 6 and name HB* ) 0.0 0.0 6.0 ! (1 vw no corr
F6
;
48 79 59 4 rr_2n0i 1
26 (4)w 60 79 60 85 rr_2n0i 1
27 (6)m 61 79 61 85 rr_2n0i 1
28 "(2 vw" 62 79 62 86 rr_2n0i 1
29 "(5 w" 63 79 63 85 rr_2n0i 1
30 "(2 vw" 64 79 64 86 rr_2n0i 1
31
;(1)vw
T7
;
65 79 66 4 rr_2n0i 1
32 (6)m 67 79 67 85 rr_2n0i 1
33 (3)w 68 79 68 85 rr_2n0i 1
34
;(3)w
assi(resi 7 and name HA )(resi 11 and name HN ) 0.0 0.0 6.0 ! (1)vw ov
assi(resi 7 and name HA )(resi 6 and name HN ) 0.0 0.0 6.0 ! (1)vw
;
69 79 71 88 rr_2n0i 1
35
;(6)m, ov
assi(resi 7 and name HN )(resi 9 and name HN ) 0.0 0.0 6.0 ! (2)vw
;
72 79 73 87 rr_2n0i 1
36 (6)m 74 79 74 85 rr_2n0i 1
37
;(1 vw no corr
assi(resi 7 and name HA )(resi 5 and name HB ) 0.0 0.0 6.0 ! (2 vw
S8
;
75 80 78 4 rr_2n0i 1
38 (5)w 79 79 79 85 rr_2n0i 1
39 (2)vw 80 79 80 86 rr_2n0i 1
40
;(2)vw ov
assi(resi 8 and name HA )(resi 7 and name HN ) 0.0 0.0 6.0 ! (2)vw
assi(resi 8 and name HA )(resi 11 and name H1 ) 0.0 0.0 5.0 ! (3)w
assi(resi 8 and name HA )(resi 11 and name H2 ) 0.0 0.0 6.0 ! (1)vw
;
81 79 84 88 rr_2n0i 1
41 (7)m 85 79 85 85 rr_2n0i 1
42 "(4 w + 1 corr" 86 79 86 94 rr_2n0i 1
43
;(1 v w + no corr
D9
;
87 79 89 4 rr_2n0i 1
44 "(1)vw ov" 90 79 90 89 rr_2n0i 1
45 (7)m 91 79 91 85 rr_2n0i 1
46 (4)w 92 80 92 86 rr_2n0i 1
47 (3)w 93 80 93 86 rr_2n0i 1
48 "(2 vw" 94 80 94 87 rr_2n0i 1
49
;(2 vw
F10
;
95 80 97 5 rr_2n0i 1
50 (6)m 98 79 98 85 rr_2n0i 1
51 "(1)vw ov" 99 79 99 89 rr_2n0i 1
52 (6)m 100 79 100 85 rr_2n0i 1
53 (1)vw 101 79 101 87 rr_2n0i 1
54 "(4 w" 102 80 102 86 rr_2n0i 1
55
;(4 w
F11
assi(resi 11 and name HA )(resi 10 and name HN ) 0.0 0.0 6.0 ! (2)vw
;
103 80 106 87 rr_2n0i 1
56 (4)w 107 79 107 86 rr_2n0i 1
57 (3)w 108 79 108 85 rr_2n0i 1
58 (6)m 109 79 109 86 rr_2n0i 1
59 (4)w 110 79 110 85 rr_2n0i 1
60 "(2 vw" 111 80 111 87 rr_2n0i 1
61 "(2 vw" 112 80 112 87 rr_2n0i 1
62 (3w 113 79 113 84 rr_2n0i 1
63 "(1 vw" 114 80 114 87 rr_2n0i 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" rr_2n0i 1
2 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" rr_2n0i 1
3 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" rr_2n0i 1
4 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .2.HB*' (nmrStar names) not linked" rr_2n0i 1
5 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" rr_2n0i 1
6 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .2.HA' (nmrStar names) not linked" rr_2n0i 1
7 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .2.HA' (nmrStar names) not linked" rr_2n0i 1
8 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .2.HA' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_2n0i 1
9 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .2.HB*' (nmrStar names) not linked" rr_2n0i 1
10 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
11 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
12 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
13 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .5.HB' (nmrStar names) not linked" rr_2n0i 1
14 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" rr_2n0i 1
15 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" rr_2n0i 1
16 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" rr_2n0i 1
17 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
18 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
19 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .5.HN' (nmrStar names) not linked" rr_2n0i 1
20 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
21 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
22 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
23 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
24 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .11.H1' (nmrStar names) not linked" rr_2n0i 1
25 2 51 1 "Distance restraint (original ID 51) deleted - no constraint items left." rr_2n0i 1
26 2 51 1 "Not handling item from distance restraint (original ID 51) - duplicate resonances" rr_2n0i 1
27 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .11.H1' (nmrStar names) not linked" rr_2n0i 1
28 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
29 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" rr_2n0i 1
30 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .11.H1' (nmrStar names),' .11.HA' (nmrStar names) not linked" rr_2n0i 1
31 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .11.HA' (nmrStar names),' .11.H2' (nmrStar names) not linked" rr_2n0i 1
32 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.H1' (nmrStar names) not linked" rr_2n0i 1
33 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.H2' (nmrStar names) not linked" rr_2n0i 1
34 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .11.H1' (nmrStar names),' .11.HB1' (nmrStar names) not linked" rr_2n0i 1
35 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .11.H2' (nmrStar names),' .11.HB1' (nmrStar names) not linked" rr_2n0i 1
36 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .11.H1' (nmrStar names),' .11.HB2' (nmrStar names) not linked" rr_2n0i 1
37 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .11.H2' (nmrStar names),' .11.HB2' (nmrStar names) not linked" rr_2n0i 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_2n0i
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2n0i 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2n0i 2
2 1 . . . rr_2n0i 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 7 7 THR O O . . . . 7 . O rr_2n0i 2
1 1 . 2 . 1 1 10 10 PHE H H . . . . 10 . HN rr_2n0i 2
2 1 . 1 . 1 1 7 7 THR O O . . . . 7 . O rr_2n0i 2
2 1 . 2 . 1 1 10 10 PHE N N . . . . 10 . N rr_2n0i 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 1.88 1.58 2.3 rr_2n0i 2
2 1 . . . . . . 2.88 2.58 3.3 rr_2n0i 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 H-Bonds 1 1 1 9 rr_2n0i 2
2
;assign (resid 1 and name O )(resid 4 and name HN ) 1.88 0.3 0.42
assign (resid 1 and name O )(resid 4 and name N ) 2.88 0.3 0.42
assign (resid 5 and name O )(resid 9 and name HN ) 1.88 0.3 0.42
assign (resid 5 and name O )(resid 9 and name N ) 2.88 0.3 0.42
;
12 1 16 75 rr_2n0i 2
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .5.HN' (nmrStar names),' .2.O' (nmrStar names) not linked" rr_2n0i 2
2 3 2 1 "Not handling restraint 2, item 1, resonance(s) ' .2.O' (nmrStar names),' .5.N' (nmrStar names) not linked" rr_2n0i 2
3 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_2n0i 2
4 3 4 1 "Not handling restraint 4, item 1, resonance(s) ' .5.O' (nmrStar names) not linked" rr_2n0i 2
5 3 7 1 "Not handling restraint 7, item 1, resonance(s) ' .11.H1' (nmrStar names) not linked" rr_2n0i 2
6 3 8 1 "Not handling restraint 8, item 1, resonance(s) ' .11.NT' (nmrStar names) not linked" rr_2n0i 2
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_2n0i
_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 09-MAR-15 2N0I *TITLE NMR SOLUTION STRUCTURE FOR DI-SULFIDE 11MER PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DI-SULFIDE 11MER PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 15 *AUTHOR H.N.HOANG, K.SONG, T.A.HILL, D.R.DERKSEN, D.J.EDMONDS, W.M.KOK, *AUTHOR 2 C.LIMBERAKIS, S.LIRAS, P.M.LORIA, V.MASCITTI, A.M.MATHIOWETZ, *AUTHOR 3 J.M.MITCHELL, D.W.PIOTROWSKI, D.A.PRICE, R.V.STANTON, J.Y.SUEN, *AUTHOR 4 J.M.WITHKA, D.A.GRIFFITH, D.P.FAIRLIE *REVDAT 1 15-APR-15 2N0I 0"
save_
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