NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
321141 |
1xxz   |
6421 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1xxz
# This DOCR archive file contains, for PDB entry <1xxz>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1xxz
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1xxz"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1xxz"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1xxz
_Assembly.ID 1
_Assembly.Name 1xxz
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 1355.6083
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 "SST1 selective somatosatin analog 5" 1 $SST1_selective_somatosatin__analog_5_ A . no . . . . . . rr_1xxz 1
stop_
save_
save_SST1_selective_somatosatin__analog_5_
_Entity.Sf_category entity
_Entity.Sf_framecode SST1_selective_somatosatin__analog_5_
_Entity.Entry_ID rr_1xxz
_Entity.ID 1
_Entity.Name SST1_selective_somatosatin__analog_5_
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Nonpolymer_comp_ID CYS
_Entity.Nonpolymer_comp_label $chem_comp_CYS
_Entity.Number_of_monomers 10
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
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 . CYS . rr_1xxz 1
2 . LYS . rr_1xxz 1
3 . PHE . rr_1xxz 1
4 . PHE . rr_1xxz 1
5 . DTR . rr_1xxz 1
6 . IAM . rr_1xxz 1
7 . THR . rr_1xxz 1
8 . THR . rr_1xxz 1
9 . SER . rr_1xxz 1
10 . CYS . rr_1xxz 1
stop_
save_
save_chem_comp_DTR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DTR
_Chem_comp.Entry_ID rr_1xxz
_Chem_comp.ID DTR
_Chem_comp.Name D-tryptophan
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DTR
_Chem_comp.Std_deriv_one_letter_code W
_Chem_comp.Std_deriv_three_letter_code Trp
_Chem_comp.Std_deriv_PDB_code TRP
_Chem_comp.Std_deriv_chem_comp_name TRYPTOPHAN
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C11 H10 N2 O"
_Chem_comp.Formula_weight 186.2128
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
D-tryptophan name rr_1xxz DTR
stop_
save_
save_chem_comp_IAM
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_IAM
_Chem_comp.Entry_ID rr_1xxz
_Chem_comp.ID IAM
_Chem_comp.Name 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code IAM
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C13 H20 N2 O2"
_Chem_comp.Formula_weight 236.3132
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1xxz
_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 10
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_1xxz
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . rr_1xxz 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_1xxz 1
stop_
loop_
_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_atom_name
_Atom_site.PDB_ins_code
_Atom_site.PDB_model_num
_Atom_site.PDB_residue_name
_Atom_site.PDB_residue_no
_Atom_site.PDB_strand_id
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_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 CYS C C 3.534 -5.414 -3.180 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
1 . 2 . 1 1 1 CYS CA C 3.532 -6.858 -3.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
1 . 3 . 1 1 1 CYS CB C 3.188 -7.851 -2.571 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
1 . 4 . 1 1 1 CYS H1 H 5.528 -7.262 -3.522 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
1 . 5 . 1 1 1 CYS H2 H 4.777 -8.001 -4.833 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
1 . 6 . 1 1 1 CYS HA H 2.796 -6.991 -4.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
1 . 7 . 1 1 1 CYS HB2 H 3.971 -8.608 -2.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
1 . 8 . 1 1 1 CYS HB3 H 3.198 -7.324 -1.618 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
1 . 9 . 1 1 1 CYS N N 4.831 -7.139 -4.271 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
1 . 10 . 1 1 1 CYS O O 4.327 -4.593 -3.640 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
1 . 11 . 1 1 1 CYS SG S 1.571 -8.688 -2.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
1 . 12 . 1 1 2 LYS C C 2.296 -3.931 -0.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
1 . 13 . 1 1 2 LYS CA C 2.525 -3.817 -1.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
1 . 14 . 1 1 2 LYS CB C 1.446 -3.011 -2.398 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
1 . 15 . 1 1 2 LYS CD C 2.706 -1.115 -3.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
1 . 16 . 1 1 2 LYS CE C 2.514 -0.171 -4.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
1 . 17 . 1 1 2 LYS CG C 1.979 -2.441 -3.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
1 . 18 . 1 1 2 LYS H H 1.996 -5.821 -1.874 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
1 . 19 . 1 1 2 LYS HA H 3.474 -3.308 -1.841 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
1 . 20 . 1 1 2 LYS HB2 H 0.583 -3.647 -2.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
1 . 21 . 1 1 2 LYS HB3 H 1.102 -2.197 -1.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
1 . 22 . 1 1 2 LYS HD2 H 2.331 -0.643 -2.576 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
1 . 23 . 1 1 2 LYS HD3 H 3.769 -1.301 -3.331 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
1 . 24 . 1 1 2 LYS HE2 H 1.918 -0.662 -5.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
1 . 25 . 1 1 2 LYS HE3 H 1.962 0.714 -4.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
1 . 26 . 1 1 2 LYS HG2 H 2.656 -3.157 -4.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
1 . 27 . 1 1 2 LYS HG3 H 1.152 -2.290 -4.409 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
1 . 28 . 1 1 2 LYS HZ1 H 3.765 1.096 -5.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
1 . 29 . 1 1 2 LYS HZ2 H 4.520 0.371 -4.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
1 . 30 . 1 1 2 LYS N N 2.637 -5.147 -2.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
1 . 31 . 1 1 2 LYS NZ N 3.825 0.229 -5.232 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
1 . 32 . 1 1 2 LYS O O 1.208 -3.635 0.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
1 . 33 . 1 1 3 PHE C C 2.578 -3.316 2.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
1 . 34 . 1 1 3 PHE CA C 3.267 -4.517 1.973 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
1 . 35 . 1 1 3 PHE CB C 4.706 -4.603 2.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
1 . 36 . 1 1 3 PHE CD1 C 5.450 -2.402 3.417 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
1 . 37 . 1 1 3 PHE CD2 C 6.203 -3.007 1.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
1 . 38 . 1 1 3 PHE CE1 C 6.172 -1.181 3.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
1 . 39 . 1 1 3 PHE CE2 C 6.924 -1.788 1.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
1 . 40 . 1 1 3 PHE CG C 5.482 -3.288 2.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
1 . 41 . 1 1 3 PHE CZ C 6.893 -0.900 2.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
1 . 42 . 1 1 3 PHE H H 4.222 -4.599 0.123 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
1 . 43 . 1 1 3 PHE HA H 2.685 -5.418 2.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
1 . 44 . 1 1 3 PHE HB2 H 4.691 -4.927 3.528 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
1 . 45 . 1 1 3 PHE HB3 H 5.237 -5.370 1.922 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
1 . 46 . 1 1 3 PHE HD1 H 4.872 -2.627 4.313 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
1 . 47 . 1 1 3 PHE HD2 H 6.227 -3.718 0.443 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
1 . 48 . 1 1 3 PHE HE1 H 6.146 -0.470 4.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
1 . 49 . 1 1 3 PHE HE2 H 7.503 -1.562 0.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
1 . 50 . 1 1 3 PHE HZ H 7.445 0.037 2.137 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
1 . 51 . 1 1 3 PHE N N 3.341 -4.359 0.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
1 . 52 . 1 1 3 PHE O O 1.696 -3.480 3.462 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
1 . 53 . 1 1 4 PHE C C 3.243 0.314 2.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
1 . 54 . 1 1 4 PHE CA C 2.439 -0.903 2.735 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
1 . 55 . 1 1 4 PHE CB C 2.512 -0.999 4.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
1 . 56 . 1 1 4 PHE CD1 C 0.259 0.036 4.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
1 . 57 . 1 1 4 PHE CD2 C 0.831 -1.841 5.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
1 . 58 . 1 1 4 PHE CE1 C -1.006 0.098 5.253 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
1 . 59 . 1 1 4 PHE CE2 C -0.433 -1.779 6.558 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
1 . 60 . 1 1 4 PHE CG C 1.150 -0.932 4.954 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
1 . 61 . 1 1 4 PHE CZ C -1.324 -0.810 6.214 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
1 . 62 . 1 1 4 PHE H H 3.723 -2.007 1.520 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
1 . 63 . 1 1 4 PHE HA H 1.419 -0.827 2.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
1 . 64 . 1 1 4 PHE HB2 H 3.002 -1.934 4.532 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
1 . 65 . 1 1 4 PHE HB3 H 3.140 -0.190 4.635 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
1 . 66 . 1 1 4 PHE HD1 H 0.515 0.764 3.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
1 . 67 . 1 1 4 PHE HD2 H 1.546 -2.616 6.191 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
1 . 68 . 1 1 4 PHE HE1 H -1.720 0.873 4.978 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
1 . 69 . 1 1 4 PHE HE2 H -0.689 -2.507 7.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
1 . 70 . 1 1 4 PHE HZ H -2.295 -0.762 6.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
1 . 71 . 1 1 4 PHE N N 3.006 -2.132 2.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
1 . 72 . 1 1 4 PHE O O 3.992 0.234 1.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
1 . 73 . 1 1 5 DTR C C 2.946 3.381 1.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
1 . 74 . 1 1 5 DTR CA C 3.758 2.644 2.667 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
1 . 75 . 1 1 5 DTR CB C 3.881 3.428 3.975 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
1 . 76 . 1 1 5 DTR CD1 C 4.970 1.773 5.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
1 . 77 . 1 1 5 DTR CD2 C 6.228 3.548 5.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
1 . 78 . 1 1 5 DTR CE2 C 6.919 2.753 6.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
1 . 79 . 1 1 5 DTR CE3 C 6.764 4.762 4.744 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
1 . 80 . 1 1 5 DTR CG C 4.970 2.906 4.914 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
1 . 81 . 1 1 5 DTR CH2 C 8.739 4.285 6.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
1 . 82 . 1 1 5 DTR CZ2 C 8.185 3.083 6.603 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
1 . 83 . 1 1 5 DTR CZ3 C 8.029 5.076 5.255 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
1 . 84 . 1 1 5 DTR H H 2.449 1.468 3.781 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
1 . 85 . 1 1 5 DTR HA H 4.728 2.351 2.266 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
1 . 86 . 1 1 5 DTR HB2 H 4.086 4.473 3.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
1 . 87 . 1 1 5 DTR HB3 H 2.923 3.399 4.495 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
1 . 88 . 1 1 5 DTR HD1 H 4.155 1.049 5.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
1 . 89 . 1 1 5 DTR HE1 H 6.380 0.812 7.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
1 . 90 . 1 1 5 DTR HE3 H 6.236 5.405 4.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
1 . 91 . 1 1 5 DTR HH2 H 9.721 4.602 6.502 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
1 . 92 . 1 1 5 DTR HZ2 H 8.710 2.436 7.307 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
1 . 93 . 1 1 5 DTR HZ3 H 8.491 6.007 4.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
1 . 94 . 1 1 5 DTR N N 3.060 1.412 2.991 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
1 . 95 . 1 1 5 DTR NE1 N 6.129 1.638 6.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
1 . 96 . 1 1 5 DTR O O 1.924 2.879 1.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
1 . 97 . 1 1 6 IAM C C 1.323 5.680 0.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
1 . 98 . 1 1 6 IAM CA C 2.763 5.372 0.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
1 . 99 . 1 1 6 IAM CB C 2.745 4.557 -1.055 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
1 . 100 . 1 1 6 IAM CD1 C 1.328 6.359 -2.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
1 . 101 . 1 1 6 IAM CD2 C 1.275 4.224 -3.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
1 . 102 . 1 1 6 IAM CE1 C 0.400 6.831 -3.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
1 . 103 . 1 1 6 IAM CE2 C 0.347 4.695 -4.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
1 . 104 . 1 1 6 IAM CG C 1.745 5.065 -2.096 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
1 . 105 . 1 1 6 IAM CI C 0.374 6.291 -7.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
1 . 106 . 1 1 6 IAM CK1 C 1.674 6.993 -7.571 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
1 . 107 . 1 1 6 IAM CK2 C -0.525 6.070 -8.368 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
1 . 108 . 1 1 6 IAM CT C -1.074 6.501 -5.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
1 . 109 . 1 1 6 IAM CZ C -0.071 5.989 -3.987 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
1 . 110 . 1 1 6 IAM H H 4.264 4.963 1.624 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
1 . 111 . 1 1 6 IAM HA H 3.322 6.303 0.153 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
1 . 112 . 1 1 6 IAM HB H 2.510 3.520 -0.818 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
1 . 113 . 1 1 6 IAM HB1 H 3.743 4.565 -1.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
1 . 114 . 1 1 6 IAM HD1 H 1.704 7.033 -1.294 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
1 . 115 . 1 1 6 IAM HD2 H 1.610 3.186 -3.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
1 . 116 . 1 1 6 IAM HE1 H 0.066 7.869 -3.003 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
1 . 117 . 1 1 6 IAM HE2 H -0.029 4.020 -4.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
1 . 118 . 1 1 6 IAM HH H -0.322 8.158 -6.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
1 . 119 . 1 1 6 IAM HI H 0.611 5.346 -6.695 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
1 . 120 . 1 1 6 IAM HK11 H 1.437 7.939 -8.015 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
1 . 121 . 1 1 6 IAM HK12 H 2.298 7.148 -6.716 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
1 . 122 . 1 1 6 IAM HK13 H 2.189 6.385 -8.285 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
1 . 123 . 1 1 6 IAM HK21 H -1.428 5.581 -8.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
1 . 124 . 1 1 6 IAM HK22 H -0.763 7.014 -8.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
1 . 125 . 1 1 6 IAM HK23 H -0.011 5.461 -9.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
1 . 126 . 1 1 6 IAM HT1 H -1.726 7.220 -4.584 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
1 . 127 . 1 1 6 IAM HT2 H -1.652 5.680 -5.410 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
1 . 128 . 1 1 6 IAM N N 3.432 4.561 1.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
1 . 129 . 1 1 6 IAM NH N -0.338 7.132 -6.153 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
1 . 130 . 1 1 6 IAM O O 1.040 6.761 1.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
1 . 131 . 1 1 7 THR C C -1.594 3.499 1.001 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
1 . 132 . 1 1 7 THR CA C -0.952 4.866 0.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
1 . 133 . 1 1 7 THR CB C -1.627 5.662 -0.363 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
1 . 134 . 1 1 7 THR CG2 C -1.770 4.851 -1.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
1 . 135 . 1 1 7 THR H H 0.690 3.835 -0.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
1 . 136 . 1 1 7 THR HA H -1.020 5.423 1.690 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
1 . 137 . 1 1 7 THR HB H -1.099 6.597 -0.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
1 . 138 . 1 1 7 THR HG1 H -3.377 4.942 0.286 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
1 . 139 . 1 1 7 THR HG21 H -2.642 5.203 -2.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
1 . 140 . 1 1 7 THR HG22 H -0.877 4.979 -2.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
1 . 141 . 1 1 7 THR HG23 H -1.897 3.797 -1.408 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
1 . 142 . 1 1 7 THR N N 0.452 4.711 0.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
1 . 143 . 1 1 7 THR O O -0.922 2.559 1.421 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
1 . 144 . 1 1 7 THR OG1 O -2.966 5.832 0.090 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
1 . 145 . 1 1 8 THR C C -2.871 1.006 0.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
1 . 146 . 1 1 8 THR CA C -3.630 2.196 0.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
1 . 147 . 1 1 8 THR CB C -4.963 2.356 0.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
1 . 148 . 1 1 8 THR H H -3.430 4.201 0.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
1 . 149 . 1 1 8 THR HA H -3.841 1.969 1.978 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
1 . 150 . 1 1 8 THR N N -2.889 3.432 0.729 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
1 . 151 . 1 1 8 THR O O -2.284 1.115 -0.752 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
1 . 152 . 1 1 9 SER C C -2.919 -2.545 1.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
1 . 153 . 1 1 9 SER CA C -2.230 -1.308 0.611 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
1 . 154 . 1 1 9 SER CB C -0.756 -1.193 1.005 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
1 . 155 . 1 1 9 SER H H -3.387 -0.179 1.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
1 . 156 . 1 1 9 SER HA H -2.312 -1.374 -0.474 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
1 . 157 . 1 1 9 SER N N -2.908 -0.100 1.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
1 . 158 . 1 1 9 SER O O -3.489 -2.492 2.278 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
1 . 159 . 1 1 10 CYS C C -2.378 -5.840 1.371 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
1 . 160 . 1 1 10 CYS CA C -3.453 -4.881 0.858 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
1 . 161 . 1 1 10 CYS CB C -4.266 -5.505 -0.304 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
1 . 162 . 1 1 10 CYS H H -2.379 -3.666 -0.451 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
1 . 163 . 1 1 10 CYS HA H -4.141 -4.688 1.701 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
1 . 164 . 1 1 10 CYS HB2 H -4.214 -6.610 -0.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
1 . 165 . 1 1 10 CYS HB3 H -5.344 -5.266 -0.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
1 . 166 . 1 1 10 CYS N N -2.844 -3.632 0.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
1 . 167 . 1 1 10 CYS O O -2.098 -5.882 2.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 1
2 . 168 . 1 1 1 CYS C C 2.073 -4.491 -2.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
2 . 169 . 1 1 1 CYS CA C 1.945 -5.792 -3.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
2 . 170 . 1 1 1 CYS CB C 3.295 -6.488 -3.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
2 . 171 . 1 1 1 CYS H1 H 0.947 -4.528 -4.582 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
2 . 172 . 1 1 1 CYS H2 H 2.030 -5.558 -5.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
2 . 173 . 1 1 1 CYS HA H 1.283 -6.492 -2.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
2 . 174 . 1 1 1 CYS HB2 H 3.304 -6.992 -4.471 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
2 . 175 . 1 1 1 CYS HB3 H 4.079 -5.730 -3.533 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
2 . 176 . 1 1 1 CYS N N 1.326 -5.485 -4.605 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
2 . 177 . 1 1 1 CYS O O 1.316 -3.548 -2.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
2 . 178 . 1 1 1 CYS SG S 3.709 -7.707 -2.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
2 . 179 . 1 1 2 LYS C C 2.204 -3.241 0.297 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
2 . 180 . 1 1 2 LYS CA C 3.275 -3.314 -0.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
2 . 181 . 1 1 2 LYS CB C 3.363 -2.053 -1.656 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
2 . 182 . 1 1 2 LYS CD C 5.722 -2.096 -2.547 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
2 . 183 . 1 1 2 LYS CE C 6.100 -1.144 -3.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
2 . 184 . 1 1 2 LYS CG C 4.754 -1.424 -1.570 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
2 . 185 . 1 1 2 LYS H H 3.649 -5.255 -1.450 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
2 . 186 . 1 1 2 LYS HA H 4.246 -3.444 -0.316 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
2 . 187 . 1 1 2 LYS HB2 H 3.135 -2.302 -2.693 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
2 . 188 . 1 1 2 LYS HB3 H 2.613 -1.333 -1.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
2 . 189 . 1 1 2 LYS HD2 H 6.620 -2.410 -2.017 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
2 . 190 . 1 1 2 LYS HD3 H 5.263 -2.994 -2.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
2 . 191 . 1 1 2 LYS HE2 H 5.490 -1.356 -4.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
2 . 192 . 1 1 2 LYS HE3 H 5.890 -0.116 -3.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
2 . 193 . 1 1 2 LYS HG2 H 4.690 -0.358 -1.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
2 . 194 . 1 1 2 LYS HG3 H 5.137 -1.517 -0.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
2 . 195 . 1 1 2 LYS HZ1 H 7.898 -0.462 -4.489 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
2 . 196 . 1 1 2 LYS HZ2 H 8.106 -1.434 -3.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
2 . 197 . 1 1 2 LYS N N 3.038 -4.483 -1.622 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
2 . 198 . 1 1 2 LYS NZ N 7.532 -1.286 -4.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
2 . 199 . 1 1 2 LYS O O 1.187 -2.569 0.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
2 . 200 . 1 1 3 PHE C C 1.678 -2.701 3.362 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
2 . 201 . 1 1 3 PHE CA C 1.539 -3.962 2.507 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
2 . 202 . 1 1 3 PHE CB C 1.892 -5.182 3.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
2 . 203 . 1 1 3 PHE CD1 C -0.348 -6.220 2.940 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
2 . 204 . 1 1 3 PHE CD2 C 0.632 -6.518 5.062 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
2 . 205 . 1 1 3 PHE CE1 C -1.473 -6.984 3.352 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
2 . 206 . 1 1 3 PHE CE2 C -0.492 -7.281 5.474 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
2 . 207 . 1 1 3 PHE CG C 0.680 -6.005 3.803 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
2 . 208 . 1 1 3 PHE CZ C -1.522 -7.497 4.611 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
2 . 209 . 1 1 3 PHE H H 3.298 -4.482 1.520 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
2 . 210 . 1 1 3 PHE HA H 0.532 -4.006 2.090 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
2 . 211 . 1 1 3 PHE HB2 H 2.565 -5.826 2.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
2 . 212 . 1 1 3 PHE HB3 H 2.438 -4.852 4.242 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
2 . 213 . 1 1 3 PHE HD1 H -0.309 -5.808 1.931 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
2 . 214 . 1 1 3 PHE HD2 H 1.456 -6.344 5.753 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
2 . 215 . 1 1 3 PHE HE1 H -2.297 -7.157 2.661 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
2 . 216 . 1 1 3 PHE HE2 H -0.531 -7.693 6.482 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
2 . 217 . 1 1 3 PHE HZ H -2.385 -8.081 4.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
2 . 218 . 1 1 3 PHE N N 2.468 -3.940 1.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
2 . 219 . 1 1 3 PHE O O 1.043 -2.582 4.408 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
2 . 220 . 1 1 4 PHE C C 3.412 0.489 2.681 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
2 . 221 . 1 1 4 PHE CA C 2.748 -0.544 3.593 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
2 . 222 . 1 1 4 PHE CB C 3.688 -0.859 4.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
2 . 223 . 1 1 4 PHE CD1 C 5.865 -1.520 3.710 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
2 . 224 . 1 1 4 PHE CD2 C 4.632 -3.176 4.844 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
2 . 225 . 1 1 4 PHE CE1 C 6.867 -2.476 3.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
2 . 226 . 1 1 4 PHE CE2 C 5.635 -4.134 4.535 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
2 . 227 . 1 1 4 PHE CG C 4.769 -1.890 4.425 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
2 . 228 . 1 1 4 PHE CZ C 6.731 -3.763 3.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
2 . 229 . 1 1 4 PHE H H 3.030 -1.896 2.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
2 . 230 . 1 1 4 PHE HA H 1.776 -0.169 3.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
2 . 231 . 1 1 4 PHE HB2 H 4.170 0.066 5.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
2 . 232 . 1 1 4 PHE HB3 H 3.099 -1.223 5.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
2 . 233 . 1 1 4 PHE HD1 H 5.974 -0.488 3.374 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
2 . 234 . 1 1 4 PHE HD2 H 3.753 -3.472 5.418 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
2 . 235 . 1 1 4 PHE HE1 H 7.745 -2.181 2.826 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
2 . 236 . 1 1 4 PHE HE2 H 5.527 -5.165 4.872 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
2 . 237 . 1 1 4 PHE HZ H 7.500 -4.497 3.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
2 . 238 . 1 1 4 PHE N N 2.516 -1.792 2.885 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
2 . 239 . 1 1 4 PHE O O 3.896 0.149 1.602 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
2 . 240 . 1 1 5 DTR C C 3.139 3.065 1.156 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
2 . 241 . 1 1 5 DTR CA C 4.012 2.813 2.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
2 . 242 . 1 1 5 DTR CB C 4.079 4.017 3.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
2 . 243 . 1 1 5 DTR CD1 C 5.309 2.885 5.298 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
2 . 244 . 1 1 5 DTR CD2 C 6.176 4.845 4.735 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
2 . 245 . 1 1 5 DTR CE2 C 6.918 4.352 5.788 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
2 . 246 . 1 1 5 DTR CE3 C 6.476 6.084 4.142 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
2 . 247 . 1 1 5 DTR CG C 5.138 3.889 4.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
2 . 248 . 1 1 5 DTR CH2 C 8.328 6.269 5.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
2 . 249 . 1 1 5 DTR CZ2 C 8.010 5.033 6.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
2 . 250 . 1 1 5 DTR CZ3 C 7.570 6.751 4.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
2 . 251 . 1 1 5 DTR H H 3.019 1.997 4.026 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
2 . 252 . 1 1 5 DTR HA H 5.000 2.468 2.085 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
2 . 253 . 1 1 5 DTR HB2 H 4.282 4.913 2.745 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
2 . 254 . 1 1 5 DTR HB3 H 3.104 4.154 3.797 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
2 . 255 . 1 1 5 DTR HD1 H 4.683 1.994 5.336 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
2 . 256 . 1 1 5 DTR HE1 H 6.725 2.467 6.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
2 . 257 . 1 1 5 DTR HE3 H 5.904 6.492 3.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
2 . 258 . 1 1 5 DTR HH2 H 9.166 6.851 6.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
2 . 259 . 1 1 5 DTR HZ2 H 8.581 4.622 7.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
2 . 260 . 1 1 5 DTR HZ3 H 7.846 7.718 4.286 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
2 . 261 . 1 1 5 DTR N N 3.415 1.729 3.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
2 . 262 . 1 1 5 DTR NE1 N 6.374 3.122 6.143 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
2 . 263 . 1 1 5 DTR O O 2.125 2.396 0.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
2 . 264 . 1 1 6 IAM C C 1.393 4.782 -0.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
2 . 265 . 1 1 6 IAM CA C 2.833 4.380 -0.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
2 . 266 . 1 1 6 IAM CB C 2.813 3.133 -1.736 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
2 . 267 . 1 1 6 IAM CD1 C 1.430 4.431 -3.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
2 . 268 . 1 1 6 IAM CD2 C 1.357 2.079 -3.479 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
2 . 269 . 1 1 6 IAM CE1 C 0.517 4.510 -4.457 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
2 . 270 . 1 1 6 IAM CE2 C 0.444 2.157 -4.565 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
2 . 271 . 1 1 6 IAM CG C 1.830 3.217 -2.906 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
2 . 272 . 1 1 6 IAM CI C 0.069 4.066 -8.480 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
2 . 273 . 1 1 6 IAM CK1 C 0.976 5.147 -7.863 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
2 . 274 . 1 1 6 IAM CK2 C -1.229 4.713 -8.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
2 . 275 . 1 1 6 IAM CT C -0.944 3.455 -6.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
2 . 276 . 1 1 6 IAM CZ C 0.043 3.371 -5.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
2 . 277 . 1 1 6 IAM H H 4.390 4.571 0.521 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
2 . 278 . 1 1 6 IAM HA H 3.349 5.224 -1.307 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
2 . 279 . 1 1 6 IAM HB H 2.560 2.268 -1.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
2 . 280 . 1 1 6 IAM HB1 H 3.814 2.963 -2.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
2 . 281 . 1 1 6 IAM HD1 H 1.810 5.343 -2.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
2 . 282 . 1 1 6 IAM HD2 H 1.677 1.107 -3.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
2 . 283 . 1 1 6 IAM HE1 H 0.197 5.482 -4.832 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
2 . 284 . 1 1 6 IAM HE2 H 0.065 1.244 -5.026 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
2 . 285 . 1 1 6 IAM HH H -0.006 2.064 -7.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
2 . 286 . 1 1 6 IAM HI H 0.579 3.595 -9.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
2 . 287 . 1 1 6 IAM HK11 H 0.466 5.618 -7.048 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
2 . 288 . 1 1 6 IAM HK12 H 1.878 4.697 -7.507 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
2 . 289 . 1 1 6 IAM HK13 H 1.213 5.880 -8.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
2 . 290 . 1 1 6 IAM HK21 H -1.858 3.961 -9.421 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
2 . 291 . 1 1 6 IAM HK22 H -1.740 5.184 -8.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
2 . 292 . 1 1 6 IAM HK23 H -0.994 5.446 -9.736 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
2 . 293 . 1 1 6 IAM HT1 H -1.300 4.461 -6.303 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
2 . 294 . 1 1 6 IAM HT2 H -1.773 2.799 -6.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
2 . 295 . 1 1 6 IAM N N 3.564 4.032 0.356 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
2 . 296 . 1 1 6 IAM NH N -0.258 3.052 -7.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
2 . 297 . 1 1 6 IAM O O 1.075 5.969 -0.460 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
2 . 298 . 1 1 7 THR C C -1.382 2.869 0.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
2 . 299 . 1 1 7 THR CA C -0.837 4.003 -0.005 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
2 . 300 . 1 1 7 THR CB C -1.600 4.180 -1.319 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
2 . 301 . 1 1 7 THR CG2 C -1.746 2.868 -2.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
2 . 302 . 1 1 7 THR H H 0.827 2.808 -0.377 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
2 . 303 . 1 1 7 THR HA H -0.908 4.920 0.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
2 . 304 . 1 1 7 THR HB H -1.134 4.947 -1.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
2 . 305 . 1 1 7 THR HG1 H -3.278 3.778 -0.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
2 . 306 . 1 1 7 THR HG21 H -2.657 2.900 -2.691 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
2 . 307 . 1 1 7 THR HG22 H -0.887 2.734 -2.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
2 . 308 . 1 1 7 THR HG23 H -1.803 2.037 -1.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
2 . 309 . 1 1 7 THR N N 0.562 3.770 -0.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
2 . 310 . 1 1 7 THR O O -0.630 2.230 1.601 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
2 . 311 . 1 1 7 THR OG1 O -2.928 4.495 -0.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
2 . 312 . 1 1 8 THR C C -2.603 0.273 1.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
2 . 313 . 1 1 8 THR CA C -3.338 1.606 1.521 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
2 . 314 . 1 1 8 THR CB C -4.764 1.441 0.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
2 . 315 . 1 1 8 THR H H -3.288 3.176 0.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
2 . 316 . 1 1 8 THR HA H -3.405 1.833 2.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
2 . 317 . 1 1 8 THR N N -2.684 2.653 0.753 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
2 . 318 . 1 1 8 THR O O -1.762 0.122 0.482 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
2 . 319 . 1 1 9 SER C C -2.878 -2.796 1.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
2 . 320 . 1 1 9 SER CA C -2.331 -1.976 2.214 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
2 . 321 . 1 1 9 SER CB C -2.560 -2.634 3.576 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
2 . 322 . 1 1 9 SER H H -3.633 -0.530 2.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
2 . 323 . 1 1 9 SER HA H -1.261 -1.851 2.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
2 . 324 . 1 1 9 SER N N -2.947 -0.661 2.241 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
2 . 325 . 1 1 9 SER O O -4.056 -2.691 0.703 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
2 . 326 . 1 1 10 CYS C C -1.992 -5.890 -0.386 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
2 . 327 . 1 1 10 CYS CA C -2.379 -4.437 -0.663 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
2 . 328 . 1 1 10 CYS CB C -1.732 -3.913 -1.970 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
2 . 329 . 1 1 10 CYS H H -1.042 -3.678 0.745 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
2 . 330 . 1 1 10 CYS HA H -3.477 -4.415 -0.784 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
2 . 331 . 1 1 10 CYS HB2 H -2.109 -2.895 -2.192 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
2 . 332 . 1 1 10 CYS HB3 H -0.638 -3.792 -1.854 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
2 . 333 . 1 1 10 CYS N N -1.999 -3.598 0.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
2 . 334 . 1 1 10 CYS O O -2.828 -6.693 0.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 1
3 . 335 . 1 1 1 CYS C C 4.778 -6.198 -1.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
3 . 336 . 1 1 1 CYS CA C 4.439 -7.618 -1.620 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
3 . 337 . 1 1 1 CYS CB C 2.973 -7.747 -2.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
3 . 338 . 1 1 1 CYS H1 H 5.258 -9.357 -0.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
3 . 339 . 1 1 1 CYS H2 H 5.387 -8.062 0.133 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
3 . 340 . 1 1 1 CYS HA H 5.048 -7.904 -2.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
3 . 341 . 1 1 1 CYS HB2 H 2.428 -6.873 -1.680 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
3 . 342 . 1 1 1 CYS HB3 H 2.917 -7.731 -3.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
3 . 343 . 1 1 1 CYS N N 4.773 -8.536 -0.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
3 . 344 . 1 1 1 CYS O O 5.623 -6.009 -0.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
3 . 345 . 1 1 1 CYS SG S 2.129 -9.254 -1.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
3 . 346 . 1 1 2 LYS C C 3.031 -3.245 -0.874 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
3 . 347 . 1 1 2 LYS CA C 4.322 -3.838 -1.440 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
3 . 348 . 1 1 2 LYS CB C 4.870 -3.078 -2.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
3 . 349 . 1 1 2 LYS CD C 7.216 -2.171 -2.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
3 . 350 . 1 1 2 LYS CE C 8.416 -2.035 -3.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
3 . 351 . 1 1 2 LYS CG C 6.355 -3.377 -2.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
3 . 352 . 1 1 2 LYS H H 3.417 -5.398 -2.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
3 . 353 . 1 1 2 LYS HA H 5.088 -3.805 -0.666 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
3 . 354 . 1 1 2 LYS HB2 H 4.310 -3.356 -3.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
3 . 355 . 1 1 2 LYS HB3 H 4.728 -2.008 -2.507 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
3 . 356 . 1 1 2 LYS HD2 H 6.614 -1.264 -2.518 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
3 . 357 . 1 1 2 LYS HD3 H 7.564 -2.278 -1.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
3 . 358 . 1 1 2 LYS HE2 H 8.699 -3.016 -3.799 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
3 . 359 . 1 1 2 LYS HE3 H 8.143 -1.425 -4.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
3 . 360 . 1 1 2 LYS HG2 H 6.645 -4.239 -2.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
3 . 361 . 1 1 2 LYS HG3 H 6.533 -3.639 -3.903 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
3 . 362 . 1 1 2 LYS HZ1 H 10.220 -0.994 -3.353 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
3 . 363 . 1 1 2 LYS HZ2 H 9.265 -0.695 -2.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
3 . 364 . 1 1 2 LYS N N 4.102 -5.236 -1.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
3 . 365 . 1 1 2 LYS NZ N 9.560 -1.421 -2.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
3 . 366 . 1 1 2 LYS O O 2.509 -2.265 -1.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
3 . 367 . 1 1 3 PHE C C 1.540 -2.048 1.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
3 . 368 . 1 1 3 PHE CA C 1.332 -3.407 0.840 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
3 . 369 . 1 1 3 PHE CB C 0.978 -4.442 1.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
3 . 370 . 1 1 3 PHE CD1 C 1.680 -3.429 4.090 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
3 . 371 . 1 1 3 PHE CD2 C 2.872 -5.302 3.304 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
3 . 372 . 1 1 3 PHE CE1 C 2.514 -3.380 5.238 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
3 . 373 . 1 1 3 PHE CE2 C 3.706 -5.255 4.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
3 . 374 . 1 1 3 PHE CG C 1.877 -4.389 3.147 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
3 . 375 . 1 1 3 PHE CZ C 3.509 -4.294 5.395 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
3 . 376 . 1 1 3 PHE H H 2.983 -4.659 0.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
3 . 377 . 1 1 3 PHE HA H 0.572 -3.316 0.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
3 . 378 . 1 1 3 PHE HB2 H -0.057 -4.291 2.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
3 . 379 . 1 1 3 PHE HB3 H 1.038 -5.438 1.473 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
3 . 380 . 1 1 3 PHE HD1 H 0.882 -2.696 3.964 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
3 . 381 . 1 1 3 PHE HD2 H 3.029 -6.072 2.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
3 . 382 . 1 1 3 PHE HE1 H 2.357 -2.609 5.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
3 . 383 . 1 1 3 PHE HE2 H 4.504 -5.987 4.578 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
3 . 384 . 1 1 3 PHE HZ H 4.149 -4.257 6.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
3 . 385 . 1 1 3 PHE N N 2.552 -3.863 0.196 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
3 . 386 . 1 1 3 PHE O O 0.681 -1.171 1.423 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
3 . 387 . 1 1 4 PHE C C 3.316 0.441 1.847 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
3 . 388 . 1 1 4 PHE CA C 3.016 -0.677 2.848 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
3 . 389 . 1 1 4 PHE CB C 4.270 -0.949 3.680 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
3 . 390 . 1 1 4 PHE CD1 C 6.162 -0.816 2.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
3 . 391 . 1 1 4 PHE CD2 C 5.695 -2.903 3.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
3 . 392 . 1 1 4 PHE CE1 C 7.227 -1.401 1.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
3 . 393 . 1 1 4 PHE CE2 C 6.761 -3.489 2.298 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
3 . 394 . 1 1 4 PHE CG C 5.419 -1.579 2.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
3 . 395 . 1 1 4 PHE CZ C 7.505 -2.724 1.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
3 . 396 . 1 1 4 PHE H H 3.378 -2.632 2.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
3 . 397 . 1 1 4 PHE HA H 2.152 -0.399 3.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
3 . 398 . 1 1 4 PHE HB2 H 4.615 -0.010 4.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
3 . 399 . 1 1 4 PHE HB3 H 4.009 -1.608 4.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
3 . 400 . 1 1 4 PHE HD1 H 5.940 0.245 1.930 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
3 . 401 . 1 1 4 PHE HD2 H 5.100 -3.515 3.710 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
3 . 402 . 1 1 4 PHE HE1 H 7.822 -0.790 0.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
3 . 403 . 1 1 4 PHE HE2 H 6.984 -4.550 2.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
3 . 404 . 1 1 4 PHE HZ H 8.323 -3.174 0.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
3 . 405 . 1 1 4 PHE N N 2.684 -1.915 2.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
3 . 406 . 1 1 4 PHE O O 3.075 0.287 0.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
3 . 407 . 1 1 5 DTR C C 2.923 3.065 0.742 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
3 . 408 . 1 1 5 DTR CA C 4.172 2.681 1.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
3 . 409 . 1 1 5 DTR CB C 4.637 3.787 2.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
3 . 410 . 1 1 5 DTR CD1 C 6.159 2.605 4.209 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
3 . 411 . 1 1 5 DTR CD2 C 7.240 4.067 2.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
3 . 412 . 1 1 5 DTR CE2 C 8.159 3.513 3.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
3 . 413 . 1 1 5 DTR CE3 C 7.615 5.041 2.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
3 . 414 . 1 1 5 DTR CG C 5.950 3.474 3.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
3 . 415 . 1 1 5 DTR CH2 C 9.911 4.834 2.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
3 . 416 . 1 1 5 DTR CZ2 C 9.514 3.866 3.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
3 . 417 . 1 1 5 DTR CZ3 C 8.972 5.384 2.024 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
3 . 418 . 1 1 5 DTR H H 4.030 1.655 3.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
3 . 419 . 1 1 5 DTR HA H 4.963 2.350 0.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
3 . 420 . 1 1 5 DTR HB2 H 4.755 4.711 1.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
3 . 421 . 1 1 5 DTR HB3 H 3.861 3.963 3.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
3 . 422 . 1 1 5 DTR HD1 H 5.382 1.984 4.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
3 . 423 . 1 1 5 DTR HE1 H 7.915 1.979 5.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
3 . 424 . 1 1 5 DTR HE3 H 6.905 5.493 1.308 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
3 . 425 . 1 1 5 DTR HH2 H 10.952 5.156 2.844 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
3 . 426 . 1 1 5 DTR HZ2 H 10.221 3.413 4.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
3 . 427 . 1 1 5 DTR HZ3 H 9.317 6.136 1.315 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
3 . 428 . 1 1 5 DTR N N 3.836 1.539 2.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
3 . 429 . 1 1 5 DTR NE1 N 7.482 2.594 4.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
3 . 430 . 1 1 5 DTR O O 1.866 2.460 0.906 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
3 . 431 . 1 1 6 IAM C C 0.797 4.960 -0.069 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
3 . 432 . 1 1 6 IAM CA C 1.991 4.541 -0.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
3 . 433 . 1 1 6 IAM CB C 1.572 3.375 -1.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
3 . 434 . 1 1 6 IAM CD1 C -0.455 2.527 -3.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
3 . 435 . 1 1 6 IAM CD2 C -0.244 4.851 -2.718 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
3 . 436 . 1 1 6 IAM CE1 C -1.691 2.729 -3.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
3 . 437 . 1 1 6 IAM CE2 C -1.480 5.054 -3.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
3 . 438 . 1 1 6 IAM CG C 0.242 3.593 -2.553 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
3 . 439 . 1 1 6 IAM CI C -5.719 2.907 -4.710 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
3 . 440 . 1 1 6 IAM CK1 C -6.531 4.096 -5.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
3 . 441 . 1 1 6 IAM CK2 C -6.615 2.044 -3.805 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
3 . 442 . 1 1 6 IAM CT C -3.514 4.207 -4.593 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
3 . 443 . 1 1 6 IAM CZ C -2.175 3.988 -3.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
3 . 444 . 1 1 6 IAM H H 3.953 4.556 -0.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
3 . 445 . 1 1 6 IAM HA H 2.353 5.405 -1.490 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
3 . 446 . 1 1 6 IAM HB H 1.500 2.472 -1.224 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
3 . 447 . 1 1 6 IAM HB1 H 2.351 3.201 -2.570 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
3 . 448 . 1 1 6 IAM HD1 H -0.065 1.518 -2.899 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
3 . 449 . 1 1 6 IAM HD2 H 0.314 5.706 -2.335 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
3 . 450 . 1 1 6 IAM HE1 H -2.249 1.874 -4.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
3 . 451 . 1 1 6 IAM HE2 H -1.870 6.064 -3.520 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
3 . 452 . 1 1 6 IAM HH H -4.502 3.207 -2.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
3 . 453 . 1 1 6 IAM HI H -5.362 2.315 -5.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
3 . 454 . 1 1 6 IAM HK11 H -6.888 4.688 -4.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
3 . 455 . 1 1 6 IAM HK12 H -5.907 4.696 -5.884 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
3 . 456 . 1 1 6 IAM HK13 H -7.363 3.731 -5.821 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
3 . 457 . 1 1 6 IAM HK21 H -6.050 1.217 -3.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
3 . 458 . 1 1 6 IAM HK22 H -6.973 2.634 -2.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
3 . 459 . 1 1 6 IAM HK23 H -7.448 1.677 -4.369 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
3 . 460 . 1 1 6 IAM HT1 H -3.423 3.897 -5.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
3 . 461 . 1 1 6 IAM HT2 H -3.777 5.246 -4.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
3 . 462 . 1 1 6 IAM N N 3.090 4.069 -0.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
3 . 463 . 1 1 6 IAM NH N -4.569 3.411 -3.929 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
3 . 464 . 1 1 6 IAM O O 0.623 6.142 0.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
3 . 465 . 1 1 7 THR C C -1.545 2.958 1.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
3 . 466 . 1 1 7 THR CA C -1.162 4.218 1.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
3 . 467 . 1 1 7 THR CB C -2.281 4.731 0.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
3 . 468 . 1 1 7 THR CG2 C -2.919 3.614 -0.603 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
3 . 469 . 1 1 7 THR H H 0.157 3.008 0.071 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
3 . 470 . 1 1 7 THR HA H -0.910 4.985 1.869 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
3 . 471 . 1 1 7 THR HB H -1.921 5.535 -0.417 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
3 . 472 . 1 1 7 THR HG1 H -3.560 4.359 1.718 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
3 . 473 . 1 1 7 THR HG21 H -3.957 3.870 -0.818 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
3 . 474 . 1 1 7 THR HG22 H -2.373 3.498 -1.539 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
3 . 475 . 1 1 7 THR HG23 H -2.884 2.680 -0.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
3 . 476 . 1 1 7 THR N N 0.008 3.967 0.313 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
3 . 477 . 1 1 7 THR O O -0.687 2.136 2.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
3 . 478 . 1 1 7 THR OG1 O -3.310 5.126 1.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
3 . 479 . 1 1 8 THR C C -2.774 0.396 2.383 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
3 . 480 . 1 1 8 THR CA C -3.339 1.703 2.943 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
3 . 481 . 1 1 8 THR CB C -4.882 1.689 2.734 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
3 . 482 . 1 1 8 THR H H -3.524 3.521 1.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
3 . 483 . 1 1 8 THR HA H -3.102 1.739 4.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
3 . 484 . 1 1 8 THR N N -2.833 2.847 2.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
3 . 485 . 1 1 8 THR O O -2.089 0.400 1.361 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
3 . 486 . 1 1 9 SER C C -3.397 -2.485 1.437 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
3 . 487 . 1 1 9 SER CA C -2.615 -2.002 2.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
3 . 488 . 1 1 9 SER CB C -2.721 -2.946 3.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
3 . 489 . 1 1 9 SER H H -3.641 -0.685 3.904 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
3 . 490 . 1 1 9 SER HA H -1.571 -1.915 2.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
3 . 491 . 1 1 9 SER N N -3.083 -0.690 3.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
3 . 492 . 1 1 9 SER O O -4.625 -2.404 1.409 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
3 . 493 . 1 1 10 CYS C C -3.142 -4.994 -0.832 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
3 . 494 . 1 1 10 CYS CA C -3.264 -3.472 -0.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
3 . 495 . 1 1 10 CYS CB C -2.622 -2.795 -2.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
3 . 496 . 1 1 10 CYS H H -1.657 -3.036 0.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
3 . 497 . 1 1 10 CYS HA H -4.344 -3.237 -0.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
3 . 498 . 1 1 10 CYS HB2 H -2.464 -1.718 -1.800 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
3 . 499 . 1 1 10 CYS HB3 H -1.609 -3.199 -2.200 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
3 . 500 . 1 1 10 CYS N N -2.654 -2.975 0.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
3 . 501 . 1 1 10 CYS O O -4.143 -5.705 -0.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 1
4 . 502 . 1 1 1 CYS C C 2.057 -3.414 -2.488 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
4 . 503 . 1 1 1 CYS CA C 1.690 -4.472 -3.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
4 . 504 . 1 1 1 CYS CB C 2.827 -5.472 -3.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
4 . 505 . 1 1 1 CYS H1 H 2.169 -3.592 -5.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
4 . 506 . 1 1 1 CYS H2 H 0.693 -4.398 -5.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
4 . 507 . 1 1 1 CYS HA H 0.815 -5.040 -3.214 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
4 . 508 . 1 1 1 CYS HB2 H 3.006 -5.563 -4.825 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
4 . 509 . 1 1 1 CYS HB3 H 3.739 -5.068 -3.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
4 . 510 . 1 1 1 CYS N N 1.321 -3.794 -4.761 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
4 . 511 . 1 1 1 CYS O O 1.609 -2.271 -2.576 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
4 . 512 . 1 1 1 CYS SG S 2.530 -7.140 -3.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
4 . 513 . 1 1 2 LYS C C 2.287 -2.984 0.681 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
4 . 514 . 1 1 2 LYS CA C 3.296 -2.933 -0.468 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
4 . 515 . 1 1 2 LYS CB C 3.527 -1.525 -1.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
4 . 516 . 1 1 2 LYS CD C 6.043 -1.367 -1.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
4 . 517 . 1 1 2 LYS CE C 7.268 -1.176 -0.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
4 . 518 . 1 1 2 LYS CG C 4.771 -0.888 -0.399 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
4 . 519 . 1 1 2 LYS H H 3.224 -4.763 -1.462 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
4 . 520 . 1 1 2 LYS HA H 4.256 -3.297 -0.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
4 . 521 . 1 1 2 LYS HB2 H 3.640 -1.571 -2.105 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
4 . 522 . 1 1 2 LYS HB3 H 2.655 -0.903 -0.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
4 . 523 . 1 1 2 LYS HD2 H 5.942 -2.420 -1.367 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
4 . 524 . 1 1 2 LYS HD3 H 6.178 -0.817 -2.033 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
4 . 525 . 1 1 2 LYS HE2 H 8.130 -0.900 -0.814 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
4 . 526 . 1 1 2 LYS HE3 H 7.092 -0.355 0.490 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
4 . 527 . 1 1 2 LYS HG2 H 4.700 0.197 -0.467 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
4 . 528 . 1 1 2 LYS HG3 H 4.820 -1.139 0.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
4 . 529 . 1 1 2 LYS HZ1 H 8.104 -2.236 1.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
4 . 530 . 1 1 2 LYS HZ2 H 6.713 -2.888 0.842 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
4 . 531 . 1 1 2 LYS N N 2.865 -3.831 -1.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
4 . 532 . 1 1 2 LYS NZ N 7.559 -2.417 0.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
4 . 533 . 1 1 2 LYS O O 1.233 -2.354 0.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
4 . 534 . 1 1 3 PHE C C 1.779 -2.600 3.707 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
4 . 535 . 1 1 3 PHE CA C 1.787 -3.882 2.870 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
4 . 536 . 1 1 3 PHE CB C 2.357 -5.024 3.712 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
4 . 537 . 1 1 3 PHE CD1 C 0.233 -6.346 3.597 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
4 . 538 . 1 1 3 PHE CD2 C 1.405 -6.308 5.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
4 . 539 . 1 1 3 PHE CE1 C -0.756 -7.182 4.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
4 . 540 . 1 1 3 PHE CE2 C 0.417 -7.145 6.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
4 . 541 . 1 1 3 PHE CG C 1.292 -5.927 4.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
4 . 542 . 1 1 3 PHE CZ C -0.644 -7.564 5.480 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
4 . 543 . 1 1 3 PHE H H 3.506 -4.250 1.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
4 . 544 . 1 1 3 PHE HA H 0.778 -4.079 2.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
4 . 545 . 1 1 3 PHE HB2 H 3.011 -5.632 3.087 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
4 . 546 . 1 1 3 PHE HB3 H 2.975 -4.604 4.505 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
4 . 547 . 1 1 3 PHE HD1 H 0.143 -6.039 2.555 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
4 . 548 . 1 1 3 PHE HD2 H 2.254 -5.972 6.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
4 . 549 . 1 1 3 PHE HE1 H -1.606 -7.518 3.584 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
4 . 550 . 1 1 3 PHE HE2 H 0.508 -7.452 7.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
4 . 551 . 1 1 3 PHE HZ H -1.403 -8.205 5.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
4 . 552 . 1 1 3 PHE N N 2.647 -3.740 1.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
4 . 553 . 1 1 3 PHE O O 1.075 -2.515 4.711 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
4 . 554 . 1 1 4 PHE C C 3.386 0.677 3.096 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
4 . 555 . 1 1 4 PHE CA C 2.666 -0.364 3.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
4 . 556 . 1 1 4 PHE CB C 3.479 -0.608 5.229 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
4 . 557 . 1 1 4 PHE CD1 C 5.761 -1.296 4.462 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
4 . 558 . 1 1 4 PHE CD2 C 4.417 -2.912 5.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
4 . 559 . 1 1 4 PHE CE1 C 6.797 -2.257 4.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
4 . 560 . 1 1 4 PHE CE2 C 5.451 -3.873 5.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
4 . 561 . 1 1 4 PHE CG C 4.594 -1.644 5.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
4 . 562 . 1 1 4 PHE CZ C 6.619 -3.524 4.770 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
4 . 563 . 1 1 4 PHE H H 3.141 -1.715 2.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
4 . 564 . 1 1 4 PHE HA H 1.649 -0.028 4.154 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
4 . 565 . 1 1 4 PHE HB2 H 3.919 0.336 5.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
4 . 566 . 1 1 4 PHE HB3 H 2.806 -0.936 6.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
4 . 567 . 1 1 4 PHE HD1 H 5.903 -0.280 4.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
4 . 568 . 1 1 4 PHE HD2 H 3.481 -3.189 6.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
4 . 569 . 1 1 4 PHE HE1 H 7.732 -1.979 3.825 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
4 . 570 . 1 1 4 PHE HE2 H 5.311 -4.888 5.745 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
4 . 571 . 1 1 4 PHE HZ H 7.413 -4.262 4.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
4 . 572 . 1 1 4 PHE N N 2.572 -1.637 3.262 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
4 . 573 . 1 1 4 PHE O O 4.136 0.325 2.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
4 . 574 . 1 1 5 DTR C C 3.194 3.020 1.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
4 . 575 . 1 1 5 DTR CA C 3.750 3.032 2.686 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
4 . 576 . 1 1 5 DTR CB C 3.403 4.312 3.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
4 . 577 . 1 1 5 DTR CD1 C 4.064 3.534 5.824 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
4 . 578 . 1 1 5 DTR CD2 C 4.890 5.520 5.294 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
4 . 579 . 1 1 5 DTR CE2 C 5.312 5.227 6.573 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
4 . 580 . 1 1 5 DTR CE3 C 5.249 6.724 4.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
4 . 581 . 1 1 5 DTR CG C 4.083 4.420 4.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
4 . 582 . 1 1 5 DTR CH2 C 6.488 7.291 6.722 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
4 . 583 . 1 1 5 DTR CZ2 C 6.117 6.086 7.331 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
4 . 584 . 1 1 5 DTR CZ3 C 6.053 7.572 5.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
4 . 585 . 1 1 5 DTR H H 2.524 2.215 4.158 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
4 . 586 . 1 1 5 DTR HA H 4.820 2.832 2.676 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
4 . 587 . 1 1 5 DTR HB2 H 3.686 5.173 2.848 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
4 . 588 . 1 1 5 DTR HB3 H 2.323 4.359 3.592 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
4 . 589 . 1 1 5 DTR HD1 H 3.536 2.581 5.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
4 . 590 . 1 1 5 DTR HE1 H 4.939 3.453 7.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
4 . 591 . 1 1 5 DTR HE3 H 4.926 6.976 3.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
4 . 592 . 1 1 5 DTR HH2 H 7.114 8.004 7.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
4 . 593 . 1 1 5 DTR HZ2 H 6.438 5.831 8.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
4 . 594 . 1 1 5 DTR HZ3 H 6.360 8.519 4.989 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
4 . 595 . 1 1 5 DTR N N 3.134 1.938 3.417 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
4 . 596 . 1 1 5 DTR NE1 N 4.794 3.979 6.907 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
4 . 597 . 1 1 5 DTR O O 2.328 2.211 0.935 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
4 . 598 . 1 1 6 IAM C C 1.785 4.302 -1.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
4 . 599 . 1 1 6 IAM CA C 3.287 4.030 -0.935 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
4 . 600 . 1 1 6 IAM CB C 3.589 2.685 -1.599 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
4 . 601 . 1 1 6 IAM CD1 C 2.785 3.466 -3.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
4 . 602 . 1 1 6 IAM CD2 C 2.261 1.267 -3.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
4 . 603 . 1 1 6 IAM CE1 C 2.102 3.262 -5.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
4 . 604 . 1 1 6 IAM CE2 C 1.575 1.062 -4.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
4 . 605 . 1 1 6 IAM CG C 2.851 2.464 -2.921 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
4 . 606 . 1 1 6 IAM CI C -0.308 3.705 -8.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
4 . 607 . 1 1 6 IAM CK1 C -1.628 4.497 -8.091 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
4 . 608 . 1 1 6 IAM CK2 C -0.213 2.791 -9.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
4 . 609 . 1 1 6 IAM CT C 0.770 1.843 -6.655 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
4 . 610 . 1 1 6 IAM CZ C 1.511 2.065 -5.324 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
4 . 611 . 1 1 6 IAM H H 4.424 4.580 0.720 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
4 . 612 . 1 1 6 IAM HA H 3.832 4.862 -1.383 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
4 . 613 . 1 1 6 IAM HB H 3.324 1.883 -0.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
4 . 614 . 1 1 6 IAM HB1 H 4.660 2.611 -1.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
4 . 615 . 1 1 6 IAM HD1 H 3.259 4.426 -3.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
4 . 616 . 1 1 6 IAM HD2 H 2.312 0.465 -2.444 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
4 . 617 . 1 1 6 IAM HE1 H 2.050 4.065 -5.803 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
4 . 618 . 1 1 6 IAM HE2 H 1.103 0.102 -4.615 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
4 . 619 . 1 1 6 IAM HH H -0.969 3.030 -6.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
4 . 620 . 1 1 6 IAM HI H 0.516 4.387 -8.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
4 . 621 . 1 1 6 IAM HK11 H -2.454 3.815 -8.095 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
4 . 622 . 1 1 6 IAM HK12 H -1.694 5.132 -7.233 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
4 . 623 . 1 1 6 IAM HK13 H -1.656 5.093 -8.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
4 . 624 . 1 1 6 IAM HK21 H 0.704 2.240 -9.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
4 . 625 . 1 1 6 IAM HK22 H -1.037 2.107 -9.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
4 . 626 . 1 1 6 IAM HK23 H -0.240 3.385 -10.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
4 . 627 . 1 1 6 IAM HT1 H 0.313 0.874 -6.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
4 . 628 . 1 1 6 IAM HT2 H 1.466 1.907 -7.467 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
4 . 629 . 1 1 6 IAM N N 3.719 3.926 0.448 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
4 . 630 . 1 1 6 IAM NH N -0.269 2.881 -6.817 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
4 . 631 . 1 1 6 IAM O O 1.368 5.436 -1.250 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
4 . 632 . 1 1 7 THR C C -1.082 2.402 0.120 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
4 . 633 . 1 1 7 THR CA C -0.437 3.353 -0.891 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
4 . 634 . 1 1 7 THR CB C -0.877 3.096 -2.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
4 . 635 . 1 1 7 THR CG2 C -0.759 1.622 -2.728 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
4 . 636 . 1 1 7 THR H H 1.358 2.321 -0.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
4 . 637 . 1 1 7 THR HA H -0.716 4.366 -0.601 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
4 . 638 . 1 1 7 THR HB H -0.326 3.729 -3.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
4 . 639 . 1 1 7 THR HG1 H -2.720 2.761 -1.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
4 . 640 . 1 1 7 THR HG21 H -1.503 1.390 -3.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
4 . 641 . 1 1 7 THR HG22 H 0.238 1.431 -3.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
4 . 642 . 1 1 7 THR HG23 H -0.929 0.996 -1.852 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
4 . 643 . 1 1 7 THR N N 1.011 3.241 -0.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
4 . 644 . 1 1 7 THR O O -0.476 2.066 1.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
4 . 645 . 1 1 7 THR OG1 O -2.281 3.339 -2.317 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
4 . 646 . 1 1 8 THR C C -2.170 -0.099 1.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
4 . 647 . 1 1 8 THR CA C -3.038 1.092 0.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
4 . 648 . 1 1 8 THR CB C -4.234 0.550 -0.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
4 . 649 . 1 1 8 THR H H -2.789 2.275 -1.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
4 . 650 . 1 1 8 THR HA H -3.408 1.577 1.596 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
4 . 651 . 1 1 8 THR N N -2.303 1.997 -0.195 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
4 . 652 . 1 1 8 THR O O -1.027 -0.220 0.644 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
4 . 653 . 1 1 9 SER C C -2.623 -3.389 1.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
4 . 654 . 1 1 9 SER CA C -2.038 -2.125 2.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
4 . 655 . 1 1 9 SER CB C -2.100 -2.128 3.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
4 . 656 . 1 1 9 SER H H -3.675 -0.842 2.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
4 . 657 . 1 1 9 SER HA H -0.999 -2.056 2.074 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
4 . 658 . 1 1 9 SER N N -2.745 -0.948 1.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
4 . 659 . 1 1 9 SER O O -3.648 -3.332 1.087 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
4 . 660 . 1 1 10 CYS C C -2.325 -5.750 -0.059 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
4 . 661 . 1 1 10 CYS CA C -2.384 -5.778 1.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
4 . 662 . 1 1 10 CYS CB C -3.806 -6.119 1.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
4 . 663 . 1 1 10 CYS H H -1.112 -4.540 2.559 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
4 . 664 . 1 1 10 CYS HA H -1.693 -6.575 1.803 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
4 . 665 . 1 1 10 CYS HB2 H -3.746 -6.525 3.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
4 . 666 . 1 1 10 CYS HB3 H -4.428 -5.207 2.069 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
4 . 667 . 1 1 10 CYS N N -1.946 -4.502 2.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
4 . 668 . 1 1 10 CYS O O -3.024 -4.964 -0.697 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 1
5 . 669 . 1 1 1 CYS C C 4.341 -5.480 -1.761 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
5 . 670 . 1 1 1 CYS CA C 3.955 -6.667 -2.644 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
5 . 671 . 1 1 1 CYS CB C 2.439 -6.855 -2.718 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
5 . 672 . 1 1 1 CYS H1 H 4.229 -8.690 -2.584 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
5 . 673 . 1 1 1 CYS H2 H 5.628 -7.794 -2.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
5 . 674 . 1 1 1 CYS HA H 4.315 -6.525 -3.662 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
5 . 675 . 1 1 1 CYS HB2 H 1.961 -6.082 -2.114 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
5 . 676 . 1 1 1 CYS HB3 H 2.116 -6.700 -3.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
5 . 677 . 1 1 1 CYS N N 4.619 -7.853 -2.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
5 . 678 . 1 1 1 CYS O O 5.314 -5.547 -1.012 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
5 . 679 . 1 1 1 CYS SG S 1.840 -8.492 -2.156 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
5 . 680 . 1 1 2 LYS C C 2.755 -3.106 0.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
5 . 681 . 1 1 2 LYS CA C 3.804 -3.215 -1.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
5 . 682 . 1 1 2 LYS CB C 3.865 -1.988 -2.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
5 . 683 . 1 1 2 LYS CD C 5.961 -0.890 -1.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
5 . 684 . 1 1 2 LYS CE C 6.883 0.234 -1.619 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
5 . 685 . 1 1 2 LYS CG C 5.314 -1.609 -2.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
5 . 686 . 1 1 2 LYS H H 2.767 -4.369 -2.488 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
5 . 687 . 1 1 2 LYS HA H 4.785 -3.322 -0.637 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
5 . 688 . 1 1 2 LYS HB2 H 3.330 -2.193 -2.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
5 . 689 . 1 1 2 LYS HB3 H 3.361 -1.149 -1.532 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
5 . 690 . 1 1 2 LYS HD2 H 5.187 -0.481 -0.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
5 . 691 . 1 1 2 LYS HD3 H 6.531 -1.603 -0.545 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
5 . 692 . 1 1 2 LYS HE2 H 6.353 0.866 -2.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
5 . 693 . 1 1 2 LYS HE3 H 7.162 0.866 -0.777 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
5 . 694 . 1 1 2 LYS HG2 H 5.883 -2.505 -2.569 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
5 . 695 . 1 1 2 LYS HG3 H 5.341 -0.966 -3.204 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
5 . 696 . 1 1 2 LYS HZ1 H 8.866 0.336 -2.249 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
5 . 697 . 1 1 2 LYS HZ2 H 8.427 -1.156 -1.770 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
5 . 698 . 1 1 2 LYS N N 3.557 -4.416 -1.877 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
5 . 699 . 1 1 2 LYS NZ N 8.097 -0.325 -2.250 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
5 . 700 . 1 1 2 LYS O O 2.077 -2.086 0.128 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
5 . 701 . 1 1 3 PHE C C 1.599 -2.843 2.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
5 . 702 . 1 1 3 PHE CA C 1.699 -4.207 1.886 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
5 . 703 . 1 1 3 PHE CB C 2.212 -5.236 2.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
5 . 704 . 1 1 3 PHE CD1 C 0.429 -4.769 4.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
5 . 705 . 1 1 3 PHE CD2 C 2.650 -4.983 5.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
5 . 706 . 1 1 3 PHE CE1 C -0.004 -4.538 5.922 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
5 . 707 . 1 1 3 PHE CE2 C 2.217 -4.753 6.680 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
5 . 708 . 1 1 3 PHE CG C 1.746 -4.987 4.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
5 . 709 . 1 1 3 PHE CZ C 0.899 -4.536 6.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
5 . 710 . 1 1 3 PHE H H 3.208 -4.995 0.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
5 . 711 . 1 1 3 PHE HA H 0.729 -4.469 1.459 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
5 . 712 . 1 1 3 PHE HB2 H 1.884 -6.229 2.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
5 . 713 . 1 1 3 PHE HB3 H 3.301 -5.239 2.873 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
5 . 714 . 1 1 3 PHE HD1 H -0.295 -4.772 3.774 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
5 . 715 . 1 1 3 PHE HD2 H 3.705 -5.158 5.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
5 . 716 . 1 1 3 PHE HE1 H -1.059 -4.362 6.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
5 . 717 . 1 1 3 PHE HE2 H 2.941 -4.751 7.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
5 . 718 . 1 1 3 PHE HZ H 0.568 -4.359 7.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
5 . 719 . 1 1 3 PHE N N 2.653 -4.170 0.792 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
5 . 720 . 1 1 3 PHE O O 0.548 -2.486 3.102 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
5 . 721 . 1 1 4 PHE C C 3.323 0.235 2.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
5 . 722 . 1 1 4 PHE CA C 2.758 -0.801 3.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
5 . 723 . 1 1 4 PHE CB C 3.687 -0.907 4.363 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
5 . 724 . 1 1 4 PHE CD1 C 5.859 -1.213 3.156 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
5 . 725 . 1 1 4 PHE CD2 C 5.257 -2.815 4.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
5 . 726 . 1 1 4 PHE CE1 C 7.063 -1.924 2.900 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
5 . 727 . 1 1 4 PHE CE2 C 6.459 -3.525 4.521 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
5 . 728 . 1 1 4 PHE CG C 4.983 -1.673 4.088 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
5 . 729 . 1 1 4 PHE CZ C 7.336 -3.065 3.589 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
5 . 730 . 1 1 4 PHE H H 3.558 -2.415 2.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
5 . 731 . 1 1 4 PHE HA H 1.736 -0.528 3.417 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
5 . 732 . 1 1 4 PHE HB2 H 3.937 0.098 4.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
5 . 733 . 1 1 4 PHE HB3 H 3.153 -1.398 5.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
5 . 734 . 1 1 4 PHE HD1 H 5.640 -0.299 2.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
5 . 735 . 1 1 4 PHE HD2 H 4.553 -3.184 5.522 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
5 . 736 . 1 1 4 PHE HE1 H 7.766 -1.556 2.155 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
5 . 737 . 1 1 4 PHE HE2 H 6.679 -4.440 5.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
5 . 738 . 1 1 4 PHE HZ H 8.259 -3.612 3.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
5 . 739 . 1 1 4 PHE N N 2.708 -2.118 2.540 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
5 . 740 . 1 1 4 PHE O O 3.522 -0.059 1.001 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
5 . 741 . 1 1 5 DTR C C 3.052 2.884 0.853 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
5 . 742 . 1 1 5 DTR CA C 4.103 2.508 1.899 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
5 . 743 . 1 1 5 DTR CB C 4.423 3.650 2.866 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
5 . 744 . 1 1 5 DTR CD1 C 5.700 2.472 4.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
5 . 745 . 1 1 5 DTR CD2 C 6.893 4.039 3.761 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
5 . 746 . 1 1 5 DTR CE2 C 7.684 3.496 4.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
5 . 747 . 1 1 5 DTR CE3 C 7.365 5.070 2.929 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
5 . 748 . 1 1 5 DTR CG C 5.613 3.371 3.785 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
5 . 749 . 1 1 5 DTR CH2 C 9.489 4.942 4.188 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
5 . 750 . 1 1 5 DTR CZ2 C 8.996 3.916 5.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
5 . 751 . 1 1 5 DTR CZ3 C 8.678 5.480 3.194 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
5 . 752 . 1 1 5 DTR H H 3.400 1.657 3.666 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
5 . 753 . 1 1 5 DTR HA H 4.995 2.113 1.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
5 . 754 . 1 1 5 DTR HB2 H 4.624 4.553 2.290 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
5 . 755 . 1 1 5 DTR HB3 H 3.544 3.850 3.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
5 . 756 . 1 1 5 DTR HD1 H 4.896 1.795 5.060 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
5 . 757 . 1 1 5 DTR HE1 H 7.265 1.886 6.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
5 . 758 . 1 1 5 DTR HE3 H 6.759 5.514 2.141 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
5 . 759 . 1 1 5 DTR HH2 H 10.502 5.316 4.331 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
5 . 760 . 1 1 5 DTR HZ2 H 9.601 3.470 5.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
5 . 761 . 1 1 5 DTR HZ3 H 9.094 6.277 2.578 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
5 . 762 . 1 1 5 DTR N N 3.565 1.426 2.707 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
5 . 763 . 1 1 5 DTR NE1 N 6.935 2.511 5.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
5 . 764 . 1 1 5 DTR O O 1.965 2.310 0.826 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
5 . 765 . 1 1 6 IAM C C 1.194 4.803 -0.436 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
5 . 766 . 1 1 6 IAM CA C 2.516 4.307 -1.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
5 . 767 . 1 1 6 IAM CB C 2.235 3.108 -1.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
5 . 768 . 1 1 6 IAM CD1 C 0.634 4.545 -3.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
5 . 769 . 1 1 6 IAM CD2 C 0.345 2.210 -3.310 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
5 . 770 . 1 1 6 IAM CE1 C -0.488 4.717 -4.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
5 . 771 . 1 1 6 IAM CE2 C -0.777 2.382 -4.165 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
5 . 772 . 1 1 6 IAM CG C 1.026 3.294 -2.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
5 . 773 . 1 1 6 IAM CI C -1.225 3.155 -7.640 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
5 . 774 . 1 1 6 IAM CK1 C 0.001 2.269 -7.355 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
5 . 775 . 1 1 6 IAM CK2 C -0.809 4.636 -7.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
5 . 776 . 1 1 6 IAM CT C -2.384 3.819 -5.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
5 . 777 . 1 1 6 IAM CZ C -1.170 3.632 -4.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
5 . 778 . 1 1 6 IAM H H 4.300 4.308 0.046 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
5 . 779 . 1 1 6 IAM HA H 3.012 5.129 -1.542 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
5 . 780 . 1 1 6 IAM HB H 2.075 2.226 -1.319 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
5 . 781 . 1 1 6 IAM HB1 H 3.116 2.915 -2.547 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
5 . 782 . 1 1 6 IAM HD1 H 1.180 5.415 -2.854 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
5 . 783 . 1 1 6 IAM HD2 H 0.660 1.207 -3.019 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
5 . 784 . 1 1 6 IAM HE1 H -0.802 5.720 -4.365 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
5 . 785 . 1 1 6 IAM HE2 H -1.323 1.512 -4.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
5 . 786 . 1 1 6 IAM HH H -2.897 2.104 -6.704 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
5 . 787 . 1 1 6 IAM HI H -1.619 2.917 -8.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
5 . 788 . 1 1 6 IAM HK11 H 0.395 2.506 -6.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
5 . 789 . 1 1 6 IAM HK12 H -0.288 1.239 -7.379 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
5 . 790 . 1 1 6 IAM HK13 H 0.751 2.446 -8.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
5 . 791 . 1 1 6 IAM HK21 H -1.663 5.251 -7.803 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
5 . 792 . 1 1 6 IAM HK22 H -0.416 4.875 -6.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
5 . 793 . 1 1 6 IAM HK23 H -0.061 4.816 -8.348 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
5 . 794 . 1 1 6 IAM HT1 H -2.419 4.833 -5.795 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
5 . 795 . 1 1 6 IAM HT2 H -3.283 3.591 -4.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
5 . 796 . 1 1 6 IAM N N 3.413 3.847 0.017 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
5 . 797 . 1 1 6 IAM NH N -2.261 2.910 -6.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
5 . 798 . 1 1 6 IAM O O 1.006 6.004 -0.250 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
5 . 799 . 1 1 7 THR C C -1.515 3.005 1.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
5 . 800 . 1 1 7 THR CA C -0.985 4.177 0.408 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
5 . 801 . 1 1 7 THR CB C -1.913 4.582 -0.739 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
5 . 802 . 1 1 7 THR CG2 C -2.326 3.390 -1.605 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
5 . 803 . 1 1 7 THR H H 0.475 2.878 -0.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
5 . 804 . 1 1 7 THR HA H -0.861 5.019 1.090 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
5 . 805 . 1 1 7 THR HB H -1.462 5.367 -1.346 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
5 . 806 . 1 1 7 THR HG1 H -3.454 4.228 0.488 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
5 . 807 . 1 1 7 THR HG21 H -3.307 3.581 -2.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
5 . 808 . 1 1 7 THR HG22 H -1.597 3.252 -2.403 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
5 . 809 . 1 1 7 THR HG23 H -2.369 2.491 -0.990 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
5 . 810 . 1 1 7 THR N N 0.313 3.852 -0.159 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
5 . 811 . 1 1 7 THR O O -0.736 2.223 1.781 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
5 . 812 . 1 1 7 THR OG1 O -3.119 4.973 -0.088 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
5 . 813 . 1 1 8 THR C C -2.822 0.502 1.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
5 . 814 . 1 1 8 THR CA C -3.479 1.853 2.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
5 . 815 . 1 1 8 THR CB C -4.953 1.788 1.553 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
5 . 816 . 1 1 8 THR H H -3.461 3.557 0.852 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
5 . 817 . 1 1 8 THR HA H -3.455 2.013 3.145 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
5 . 818 . 1 1 8 THR N N -2.835 2.917 1.300 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
5 . 819 . 1 1 8 THR O O -2.131 0.347 0.752 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
5 . 820 . 1 1 9 SER C C -3.491 -2.692 1.785 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
5 . 821 . 1 1 9 SER CA C -2.503 -1.775 2.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
5 . 822 . 1 1 9 SER CB C -2.109 -2.281 3.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
5 . 823 . 1 1 9 SER H H -3.624 -0.309 3.472 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
5 . 824 . 1 1 9 SER HA H -1.613 -1.706 1.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
5 . 825 . 1 1 9 SER N N -3.061 -0.442 2.656 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
5 . 826 . 1 1 9 SER O O -4.696 -2.446 1.804 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
5 . 827 . 1 1 10 CYS C C -2.882 -5.768 -0.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
5 . 828 . 1 1 10 CYS CA C -3.766 -4.683 0.440 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
5 . 829 . 1 1 10 CYS CB C -4.612 -3.957 -0.635 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
5 . 830 . 1 1 10 CYS H H -1.964 -3.921 1.158 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
5 . 831 . 1 1 10 CYS HA H -4.453 -5.189 1.143 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
5 . 832 . 1 1 10 CYS HB2 H -4.859 -2.934 -0.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
5 . 833 . 1 1 10 CYS HB3 H -4.035 -3.812 -1.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
5 . 834 . 1 1 10 CYS N N -2.946 -3.729 1.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
5 . 835 . 1 1 10 CYS O O -3.211 -6.953 -0.111 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 1
6 . 836 . 1 1 1 CYS C C 2.917 -4.887 -2.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
6 . 837 . 1 1 1 CYS CA C 3.044 -6.306 -3.327 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
6 . 838 . 1 1 1 CYS CB C 2.555 -7.356 -2.329 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
6 . 839 . 1 1 1 CYS H1 H 4.866 -7.184 -3.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
6 . 840 . 1 1 1 CYS H2 H 4.470 -6.919 -4.654 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
6 . 841 . 1 1 1 CYS HA H 2.454 -6.420 -4.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
6 . 842 . 1 1 1 CYS HB2 H 3.330 -8.114 -2.211 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
6 . 843 . 1 1 1 CYS HB3 H 2.424 -6.881 -1.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
6 . 844 . 1 1 1 CYS N N 4.431 -6.526 -3.703 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
6 . 845 . 1 1 1 CYS O O 3.739 -4.023 -3.070 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
6 . 846 . 1 1 1 CYS SG S 0.989 -8.185 -2.792 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
6 . 847 . 1 1 2 LYS C C 1.821 -3.492 0.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
6 . 848 . 1 1 2 LYS CA C 1.636 -3.390 -1.367 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
6 . 849 . 1 1 2 LYS CB C 0.264 -2.857 -1.784 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
6 . 850 . 1 1 2 LYS CD C 1.182 -1.180 -3.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
6 . 851 . 1 1 2 LYS CE C 2.524 -1.587 -4.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
6 . 852 . 1 1 2 LYS CG C 0.274 -2.397 -3.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
6 . 853 . 1 1 2 LYS H H 1.217 -5.399 -1.730 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
6 . 854 . 1 1 2 LYS HA H 2.382 -2.702 -1.762 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
6 . 855 . 1 1 2 LYS HB2 H -0.489 -3.634 -1.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
6 . 856 . 1 1 2 LYS HB3 H -0.019 -2.025 -1.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
6 . 857 . 1 1 2 LYS HD2 H 0.691 -0.450 -4.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
6 . 858 . 1 1 2 LYS HD3 H 1.348 -0.695 -2.468 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
6 . 859 . 1 1 2 LYS HE2 H 2.513 -2.650 -4.281 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
6 . 860 . 1 1 2 LYS HE3 H 2.682 -1.048 -4.976 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
6 . 861 . 1 1 2 LYS HG2 H 0.614 -3.211 -3.882 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
6 . 862 . 1 1 2 LYS HG3 H -0.740 -2.150 -3.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
6 . 863 . 1 1 2 LYS HZ1 H 4.521 -1.206 -3.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
6 . 864 . 1 1 2 LYS HZ2 H 3.482 -0.428 -2.597 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
6 . 865 . 1 1 2 LYS N N 1.881 -4.690 -1.969 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
6 . 866 . 1 1 2 LYS NZ N 3.629 -1.295 -3.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
6 . 867 . 1 1 2 LYS O O 0.912 -3.170 0.912 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
6 . 868 . 1 1 3 PHE C C 2.739 -2.929 2.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
6 . 869 . 1 1 3 PHE CA C 3.324 -4.084 1.948 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
6 . 870 . 1 1 3 PHE CB C 4.848 -4.060 2.069 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
6 . 871 . 1 1 3 PHE CD1 C 5.529 -4.172 4.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
6 . 872 . 1 1 3 PHE CD2 C 5.645 -2.086 3.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
6 . 873 . 1 1 3 PHE CE1 C 6.003 -3.575 5.674 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
6 . 874 . 1 1 3 PHE CE2 C 6.119 -1.487 4.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
6 . 875 . 1 1 3 PHE CG C 5.360 -3.415 3.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
6 . 876 . 1 1 3 PHE CZ C 6.287 -2.245 5.703 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
6 . 877 . 1 1 3 PHE H H 3.741 -4.196 -0.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
6 . 878 . 1 1 3 PHE HA H 2.881 -5.023 2.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
6 . 879 . 1 1 3 PHE HB2 H 5.224 -5.082 2.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
6 . 880 . 1 1 3 PHE HB3 H 5.262 -3.520 1.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
6 . 881 . 1 1 3 PHE HD1 H 5.301 -5.238 4.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
6 . 882 . 1 1 3 PHE HD2 H 5.508 -1.480 2.493 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
6 . 883 . 1 1 3 PHE HE1 H 6.137 -4.181 6.570 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
6 . 884 . 1 1 3 PHE HE2 H 6.347 -0.422 4.610 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
6 . 885 . 1 1 3 PHE HZ H 6.652 -1.786 6.622 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
6 . 886 . 1 1 3 PHE N N 3.006 -3.938 0.538 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
6 . 887 . 1 1 3 PHE O O 1.966 -3.152 3.695 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
6 . 888 . 1 1 4 PHE C C 3.323 0.726 2.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
6 . 889 . 1 1 4 PHE CA C 2.659 -0.532 3.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
6 . 890 . 1 1 4 PHE CB C 3.042 -0.681 4.545 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
6 . 891 . 1 1 4 PHE CD1 C 0.960 0.323 5.505 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
6 . 892 . 1 1 4 PHE CD2 C 1.675 -1.758 6.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
6 . 893 . 1 1 4 PHE CE1 C -0.150 0.301 6.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
6 . 894 . 1 1 4 PHE CE2 C 0.565 -1.780 7.233 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
6 . 895 . 1 1 4 PHE CG C 1.847 -0.706 5.502 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
6 . 896 . 1 1 4 PHE CZ C -0.322 -0.750 7.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
6 . 897 . 1 1 4 PHE H H 3.762 -1.551 1.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
6 . 898 . 1 1 4 PHE HA H 1.581 -0.474 2.914 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
6 . 899 . 1 1 4 PHE HB2 H 3.613 -1.602 4.671 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
6 . 900 . 1 1 4 PHE HB3 H 3.701 0.142 4.825 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
6 . 901 . 1 1 4 PHE HD1 H 1.099 1.166 4.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
6 . 902 . 1 1 4 PHE HD2 H 2.387 -2.582 6.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
6 . 903 . 1 1 4 PHE HE1 H -0.862 1.126 6.395 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
6 . 904 . 1 1 4 PHE HE2 H 0.426 -2.623 7.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
6 . 905 . 1 1 4 PHE HZ H -1.173 -0.767 7.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
6 . 906 . 1 1 4 PHE N N 3.132 -1.722 2.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
6 . 907 . 1 1 4 PHE O O 3.858 0.707 1.403 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
6 . 908 . 1 1 5 DTR C C 3.136 3.526 1.627 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
6 . 909 . 1 1 5 DTR CA C 3.853 3.055 2.892 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
6 . 910 . 1 1 5 DTR CB C 3.676 4.012 4.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
6 . 911 . 1 1 5 DTR CD1 C 4.520 2.654 6.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
6 . 912 . 1 1 5 DTR CD2 C 5.697 4.494 5.729 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
6 . 913 . 1 1 5 DTR CE2 C 6.246 3.868 6.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
6 . 914 . 1 1 5 DTR CE3 C 6.221 5.701 5.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
6 . 915 . 1 1 5 DTR CG C 4.582 3.702 5.266 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
6 . 916 . 1 1 5 DTR CH2 C 7.891 5.573 7.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
6 . 917 . 1 1 5 DTR CZ2 C 7.350 4.373 7.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
6 . 918 . 1 1 5 DTR CZ3 C 7.325 6.192 5.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
6 . 919 . 1 1 5 DTR H H 2.826 1.796 4.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
6 . 920 . 1 1 5 DTR HA H 4.902 2.850 2.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
6 . 921 . 1 1 5 DTR HB2 H 3.872 5.030 3.736 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
6 . 922 . 1 1 5 DTR HB3 H 2.637 3.980 4.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
6 . 923 . 1 1 5 DTR HD1 H 3.782 1.856 6.027 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
6 . 924 . 1 1 5 DTR HE1 H 5.679 1.987 7.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
6 . 925 . 1 1 5 DTR HE3 H 5.803 6.214 4.368 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
6 . 926 . 1 1 5 DTR HH2 H 8.751 6.021 7.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
6 . 927 . 1 1 5 DTR HZ2 H 7.767 3.858 8.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
6 . 928 . 1 1 5 DTR HZ3 H 7.771 7.127 5.602 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
6 . 929 . 1 1 5 DTR N N 3.264 1.790 3.298 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
6 . 930 . 1 1 5 DTR NE1 N 5.508 2.713 7.061 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
6 . 931 . 1 1 5 DTR O O 2.232 2.852 1.133 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
6 . 932 . 1 1 6 IAM C C 1.474 5.490 0.126 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
6 . 933 . 1 1 6 IAM CA C 2.973 5.249 -0.062 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
6 . 934 . 1 1 6 IAM CB C 3.177 4.233 -1.188 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
6 . 935 . 1 1 6 IAM CD1 C 1.613 5.566 -2.618 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
6 . 936 . 1 1 6 IAM CD2 C 1.820 3.261 -3.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
6 . 937 . 1 1 6 IAM CE1 C 0.674 5.682 -3.678 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
6 . 938 . 1 1 6 IAM CE2 C 0.881 3.376 -4.114 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
6 . 939 . 1 1 6 IAM CG C 2.166 4.358 -2.329 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
6 . 940 . 1 1 6 IAM CI C -0.501 3.742 -7.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
6 . 941 . 1 1 6 IAM CK1 C 0.345 3.923 -9.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
6 . 942 . 1 1 6 IAM CK2 C -1.965 4.111 -8.214 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
6 . 943 . 1 1 6 IAM CT C -0.688 4.711 -5.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
6 . 944 . 1 1 6 IAM CZ C 0.328 4.585 -4.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
6 . 945 . 1 1 6 IAM H H 4.300 5.221 1.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
6 . 946 . 1 1 6 IAM HA H 3.472 6.201 -0.246 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
6 . 947 . 1 1 6 IAM HB H 3.118 3.228 -0.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
6 . 948 . 1 1 6 IAM HB1 H 4.182 4.351 -1.593 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
6 . 949 . 1 1 6 IAM HD1 H 1.889 6.445 -2.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
6 . 950 . 1 1 6 IAM HD2 H 2.263 2.293 -2.822 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
6 . 951 . 1 1 6 IAM HE1 H 0.231 6.651 -3.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
6 . 952 . 1 1 6 IAM HE2 H 0.605 2.497 -4.697 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
6 . 953 . 1 1 6 IAM HH H 0.880 5.167 -7.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
6 . 954 . 1 1 6 IAM HI H -0.449 2.721 -7.597 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
6 . 955 . 1 1 6 IAM HK11 H 0.293 4.944 -9.509 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
6 . 956 . 1 1 6 IAM HK12 H 1.363 3.667 -8.982 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
6 . 957 . 1 1 6 IAM HK13 H -0.032 3.288 -9.963 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
6 . 958 . 1 1 6 IAM HK21 H -2.553 3.983 -7.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
6 . 959 . 1 1 6 IAM HK22 H -2.019 5.131 -8.532 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
6 . 960 . 1 1 6 IAM HK23 H -2.345 3.476 -8.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
6 . 961 . 1 1 6 IAM HT1 H -1.188 5.655 -5.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
6 . 962 . 1 1 6 IAM HT2 H -1.407 3.920 -5.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
6 . 963 . 1 1 6 IAM N N 3.564 4.680 1.137 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
6 . 964 . 1 1 6 IAM NH N 0.021 4.619 -6.846 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
6 . 965 . 1 1 6 IAM O O 1.046 6.622 0.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
6 . 966 . 1 1 7 THR C C -1.258 3.218 0.861 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
6 . 967 . 1 1 7 THR CA C -0.725 4.486 0.193 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
6 . 968 . 1 1 7 THR CB C -1.338 4.749 -1.185 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
6 . 969 . 1 1 7 THR CG2 C -1.296 3.515 -2.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
6 . 970 . 1 1 7 THR H H 1.073 3.489 -0.143 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
6 . 971 . 1 1 7 THR HA H -0.954 5.319 0.857 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
6 . 972 . 1 1 7 THR HB H -0.858 5.601 -1.668 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
6 . 973 . 1 1 7 THR HG1 H -3.091 4.144 -0.435 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
6 . 974 . 1 1 7 THR HG21 H -2.129 3.552 -2.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
6 . 975 . 1 1 7 THR HG22 H -0.357 3.500 -2.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
6 . 976 . 1 1 7 THR HG23 H -1.374 2.615 -1.480 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
6 . 977 . 1 1 7 THR N N 0.717 4.406 0.034 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
6 . 978 . 1 1 7 THR O O -0.540 2.557 1.610 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
6 . 979 . 1 1 7 THR OG1 O -2.724 4.938 -0.918 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
6 . 980 . 1 1 8 THR C C -2.314 0.485 0.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
6 . 981 . 1 1 8 THR CA C -3.153 1.738 1.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
6 . 982 . 1 1 8 THR CB C -4.509 1.570 0.386 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
6 . 983 . 1 1 8 THR H H -3.092 3.457 -0.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
6 . 984 . 1 1 8 THR HA H -3.326 1.816 2.222 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
6 . 985 . 1 1 8 THR N N -2.514 2.915 0.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
6 . 986 . 1 1 8 THR O O -1.326 0.533 0.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
6 . 987 . 1 1 9 SER C C -3.009 -2.966 0.884 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
6 . 988 . 1 1 9 SER CA C -2.040 -1.873 1.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
6 . 989 . 1 1 9 SER CB C -1.349 -2.193 2.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
6 . 990 . 1 1 9 SER H H -3.545 -0.639 2.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
6 . 991 . 1 1 9 SER HA H -1.290 -1.761 0.559 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
6 . 992 . 1 1 9 SER N N -2.740 -0.609 1.493 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
6 . 993 . 1 1 9 SER O O -4.209 -2.885 1.140 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
6 . 994 . 1 1 10 CYS C C -2.818 -6.372 0.396 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
6 . 995 . 1 1 10 CYS CA C -3.249 -5.071 -0.284 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
6 . 996 . 1 1 10 CYS CB C -3.136 -5.169 -1.826 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
6 . 997 . 1 1 10 CYS H H -1.473 -4.020 0.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
6 . 998 . 1 1 10 CYS HA H -4.310 -4.908 -0.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
6 . 999 . 1 1 10 CYS HB2 H -2.943 -4.165 -2.251 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
6 . 1000 . 1 1 10 CYS HB3 H -2.261 -5.778 -2.125 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
6 . 1001 . 1 1 10 CYS N N -2.450 -3.962 0.213 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
6 . 1002 . 1 1 10 CYS O O -3.573 -6.947 1.180 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 1
7 . 1003 . 1 1 1 CYS C C 4.680 -6.263 -1.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
7 . 1004 . 1 1 1 CYS CA C 4.254 -7.630 -2.364 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
7 . 1005 . 1 1 1 CYS CB C 2.830 -7.992 -1.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
7 . 1006 . 1 1 1 CYS H1 H 5.144 -9.464 -2.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
7 . 1007 . 1 1 1 CYS H2 H 6.169 -8.231 -1.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
7 . 1008 . 1 1 1 CYS HA H 4.282 -7.645 -3.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
7 . 1009 . 1 1 1 CYS HB2 H 2.844 -8.982 -1.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
7 . 1010 . 1 1 1 CYS HB3 H 2.506 -7.291 -1.170 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
7 . 1011 . 1 1 1 CYS N N 5.218 -8.619 -1.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
7 . 1012 . 1 1 1 CYS O O 5.851 -6.052 -1.514 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
7 . 1013 . 1 1 1 CYS SG S 1.599 -7.989 -3.293 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
7 . 1014 . 1 1 2 LYS C C 2.885 -3.638 -0.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
7 . 1015 . 1 1 2 LYS CA C 3.969 -4.025 -1.248 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
7 . 1016 . 1 1 2 LYS CB C 4.102 -3.043 -2.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
7 . 1017 . 1 1 2 LYS CD C 6.428 -2.144 -2.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
7 . 1018 . 1 1 2 LYS CE C 7.397 -1.297 -2.854 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
7 . 1019 . 1 1 2 LYS CG C 5.541 -3.002 -2.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
7 . 1020 . 1 1 2 LYS H H 2.758 -5.546 -1.998 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
7 . 1021 . 1 1 2 LYS HA H 4.928 -4.047 -0.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
7 . 1022 . 1 1 2 LYS HB2 H 3.428 -3.335 -3.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
7 . 1023 . 1 1 2 LYS HB3 H 3.800 -2.047 -2.091 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
7 . 1024 . 1 1 2 LYS HD2 H 5.804 -1.497 -1.412 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
7 . 1025 . 1 1 2 LYS HD3 H 6.988 -2.786 -1.349 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
7 . 1026 . 1 1 2 LYS HE2 H 8.332 -1.837 -2.995 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
7 . 1027 . 1 1 2 LYS HE3 H 6.978 -1.118 -3.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
7 . 1028 . 1 1 2 LYS HG2 H 5.940 -4.014 -2.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
7 . 1029 . 1 1 2 LYS HG3 H 5.552 -2.598 -3.946 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
7 . 1030 . 1 1 2 LYS HZ1 H 7.982 0.703 -2.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
7 . 1031 . 1 1 2 LYS HZ2 H 6.828 0.365 -1.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
7 . 1032 . 1 1 2 LYS N N 3.708 -5.367 -1.740 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
7 . 1033 . 1 1 2 LYS NZ N 7.659 -0.006 -2.180 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
7 . 1034 . 1 1 2 LYS O O 2.200 -2.631 -0.415 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
7 . 1035 . 1 1 3 PHE C C 1.648 -2.717 2.126 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
7 . 1036 . 1 1 3 PHE CA C 1.775 -4.212 1.831 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
7 . 1037 . 1 1 3 PHE CB C 2.263 -4.930 3.091 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
7 . 1038 . 1 1 3 PHE CD1 C 0.444 -4.031 4.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
7 . 1039 . 1 1 3 PHE CD2 C 2.650 -4.016 5.389 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
7 . 1040 . 1 1 3 PHE CE1 C -0.015 -3.449 5.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
7 . 1041 . 1 1 3 PHE CE2 C 2.191 -3.434 6.601 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
7 . 1042 . 1 1 3 PHE CG C 1.767 -4.302 4.396 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
7 . 1043 . 1 1 3 PHE CZ C 0.868 -3.163 6.766 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
7 . 1044 . 1 1 3 PHE H H 3.326 -5.273 0.930 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
7 . 1045 . 1 1 3 PHE HA H 0.821 -4.590 1.463 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
7 . 1046 . 1 1 3 PHE HB2 H 1.937 -5.971 3.053 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
7 . 1047 . 1 1 3 PHE HB3 H 3.352 -4.936 3.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
7 . 1048 . 1 1 3 PHE HD1 H -0.263 -4.262 3.764 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
7 . 1049 . 1 1 3 PHE HD2 H 3.710 -4.234 5.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
7 . 1050 . 1 1 3 PHE HE1 H -1.074 -3.231 5.904 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
7 . 1051 . 1 1 3 PHE HE2 H 2.899 -3.204 7.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
7 . 1052 . 1 1 3 PHE HZ H 0.516 -2.717 7.695 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
7 . 1053 . 1 1 3 PHE N N 2.763 -4.458 0.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
7 . 1054 . 1 1 3 PHE O O 0.707 -2.068 1.672 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
7 . 1055 . 1 1 4 PHE C C 2.984 0.067 2.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
7 . 1056 . 1 1 4 PHE CA C 2.618 -0.805 3.246 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
7 . 1057 . 1 1 4 PHE CB C 3.681 -0.628 4.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
7 . 1058 . 1 1 4 PHE CD1 C 2.278 1.052 5.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
7 . 1059 . 1 1 4 PHE CD2 C 3.571 -0.447 6.827 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
7 . 1060 . 1 1 4 PHE CE1 C 1.792 1.650 6.742 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
7 . 1061 . 1 1 4 PHE CE2 C 3.085 0.151 8.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
7 . 1062 . 1 1 4 PHE CG C 3.157 0.016 5.617 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
7 . 1063 . 1 1 4 PHE CZ C 2.206 1.186 7.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
7 . 1064 . 1 1 4 PHE H H 3.372 -2.747 3.252 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
7 . 1065 . 1 1 4 PHE HA H 1.613 -0.551 3.585 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
7 . 1066 . 1 1 4 PHE HB2 H 4.105 -1.604 4.573 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
7 . 1067 . 1 1 4 PHE HB3 H 4.492 -0.018 3.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
7 . 1068 . 1 1 4 PHE HD1 H 1.947 1.423 4.579 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
7 . 1069 . 1 1 4 PHE HD2 H 4.276 -1.277 6.881 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
7 . 1070 . 1 1 4 PHE HE1 H 1.089 2.481 6.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
7 . 1071 . 1 1 4 PHE HE2 H 3.416 -0.220 8.990 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
7 . 1072 . 1 1 4 PHE HZ H 1.833 1.645 8.867 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
7 . 1073 . 1 1 4 PHE N N 2.610 -2.213 2.885 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
7 . 1074 . 1 1 4 PHE O O 2.850 -0.362 0.899 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
7 . 1075 . 1 1 5 DTR C C 2.555 2.624 0.547 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
7 . 1076 . 1 1 5 DTR CA C 3.821 2.212 1.304 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
7 . 1077 . 1 1 5 DTR CB C 4.505 3.386 2.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
7 . 1078 . 1 1 5 DTR CD1 C 6.319 2.155 3.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
7 . 1079 . 1 1 5 DTR CD2 C 7.137 3.744 2.061 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
7 . 1080 . 1 1 5 DTR CE2 C 8.200 3.171 2.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
7 . 1081 . 1 1 5 DTR CE3 C 7.324 4.794 1.145 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
7 . 1082 . 1 1 5 DTR CG C 5.926 3.081 2.486 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
7 . 1083 . 1 1 5 DTR CH2 C 9.739 4.624 1.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
7 . 1084 . 1 1 5 DTR CZ2 C 9.527 3.580 2.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
7 . 1085 . 1 1 5 DTR CZ3 C 8.657 5.191 0.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
7 . 1086 . 1 1 5 DTR H H 3.539 1.617 3.280 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
7 . 1087 . 1 1 5 DTR HA H 4.497 1.673 0.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
7 . 1088 . 1 1 5 DTR HB2 H 4.535 4.237 1.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
7 . 1089 . 1 1 5 DTR HB3 H 3.902 3.681 2.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
7 . 1090 . 1 1 5 DTR HD1 H 5.644 1.473 3.887 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
7 . 1091 . 1 1 5 DTR HE1 H 8.262 1.526 4.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
7 . 1092 . 1 1 5 DTR HE3 H 6.499 5.261 0.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
7 . 1093 . 1 1 5 DTR HH2 H 10.749 4.991 1.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
7 . 1094 . 1 1 5 DTR HZ2 H 10.351 3.110 3.085 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
7 . 1095 . 1 1 5 DTR HZ3 H 8.860 6.002 0.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
7 . 1096 . 1 1 5 DTR N N 3.435 1.276 2.345 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
7 . 1097 . 1 1 5 DTR NE1 N 7.688 2.173 3.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
7 . 1098 . 1 1 5 DTR O O 1.467 2.128 0.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
7 . 1099 . 1 1 6 IAM C C 0.531 4.603 -0.315 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
7 . 1100 . 1 1 6 IAM CA C 1.628 4.012 -1.202 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
7 . 1101 . 1 1 6 IAM CB C 1.063 2.807 -1.958 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
7 . 1102 . 1 1 6 IAM CD1 C -1.103 2.023 -2.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
7 . 1103 . 1 1 6 IAM CD2 C -0.690 4.341 -2.877 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
7 . 1104 . 1 1 6 IAM CE1 C -2.364 2.263 -3.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
7 . 1105 . 1 1 6 IAM CE2 C -1.951 4.582 -3.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
7 . 1106 . 1 1 6 IAM CG C -0.294 3.068 -2.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
7 . 1107 . 1 1 6 IAM CI C -6.351 2.595 -4.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
7 . 1108 . 1 1 6 IAM CK1 C -7.285 3.521 -4.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
7 . 1109 . 1 1 6 IAM CK2 C -7.124 1.981 -2.884 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
7 . 1110 . 1 1 6 IAM CT C -4.126 3.799 -4.469 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
7 . 1111 . 1 1 6 IAM CZ C -2.759 3.537 -3.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
7 . 1112 . 1 1 6 IAM H H 3.629 3.926 -0.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
7 . 1113 . 1 1 6 IAM HA H 2.017 4.789 -1.861 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
7 . 1114 . 1 1 6 IAM HB H 0.965 1.971 -1.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
7 . 1115 . 1 1 6 IAM HB1 H 1.774 2.507 -2.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
7 . 1116 . 1 1 6 IAM HD1 H -0.785 1.002 -2.730 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
7 . 1117 . 1 1 6 IAM HD2 H -0.042 5.178 -2.619 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
7 . 1118 . 1 1 6 IAM HE1 H -3.014 1.426 -3.807 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
7 . 1119 . 1 1 6 IAM HE2 H -2.270 5.604 -3.695 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
7 . 1120 . 1 1 6 IAM HH H -5.154 3.620 -2.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
7 . 1121 . 1 1 6 IAM HI H -5.993 1.813 -4.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
7 . 1122 . 1 1 6 IAM HK11 H -7.643 4.305 -4.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
7 . 1123 . 1 1 6 IAM HK12 H -6.746 3.948 -5.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
7 . 1124 . 1 1 6 IAM HK13 H -8.114 2.957 -5.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
7 . 1125 . 1 1 6 IAM HK21 H -6.474 1.337 -2.328 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
7 . 1126 . 1 1 6 IAM HK22 H -7.481 2.761 -2.245 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
7 . 1127 . 1 1 6 IAM HK23 H -7.954 1.415 -3.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
7 . 1128 . 1 1 6 IAM HT1 H -4.193 3.242 -5.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
7 . 1129 . 1 1 6 IAM HT2 H -4.229 4.844 -4.680 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
7 . 1130 . 1 1 6 IAM N N 2.741 3.528 -0.403 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
7 . 1131 . 1 1 6 IAM NH N -5.204 3.374 -3.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
7 . 1132 . 1 1 6 IAM O O 0.476 5.815 -0.111 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
7 . 1133 . 1 1 7 THR C C -1.965 2.941 1.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
7 . 1134 . 1 1 7 THR CA C -1.409 4.136 1.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
7 . 1135 . 1 1 7 THR CB C -2.457 4.835 0.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
7 . 1136 . 1 1 7 THR CG2 C -3.228 3.857 -0.706 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
7 . 1137 . 1 1 7 THR H H -0.265 2.735 0.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
7 . 1138 . 1 1 7 THR HA H -1.017 4.840 1.787 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
7 . 1139 . 1 1 7 THR HB H -2.001 5.626 -0.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
7 . 1140 . 1 1 7 THR HG1 H -3.771 4.534 1.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
7 . 1141 . 1 1 7 THR HG21 H -4.227 4.250 -0.896 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
7 . 1142 . 1 1 7 THR HG22 H -2.701 3.731 -1.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
7 . 1143 . 1 1 7 THR HG23 H -3.307 2.893 -0.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
7 . 1144 . 1 1 7 THR N N -0.316 3.718 0.190 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
7 . 1145 . 1 1 7 THR O O -1.249 1.972 2.079 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
7 . 1146 . 1 1 7 THR OG1 O -3.429 5.299 1.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
7 . 1147 . 1 1 8 THR C C -3.497 0.610 2.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
7 . 1148 . 1 1 8 THR CA C -3.895 1.986 2.929 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
7 . 1149 . 1 1 8 THR CB C -5.424 2.169 2.697 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
7 . 1150 . 1 1 8 THR H H -3.811 3.838 1.978 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
7 . 1151 . 1 1 8 THR HA H -3.670 2.004 4.012 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
7 . 1152 . 1 1 8 THR N N -3.236 3.047 2.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
7 . 1153 . 1 1 8 THR O O -4.043 0.151 1.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
7 . 1154 . 1 1 9 SER C C -1.777 -1.351 1.180 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
7 . 1155 . 1 1 9 SER CA C -2.073 -1.322 2.682 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
7 . 1156 . 1 1 9 SER CB C -3.116 -2.354 3.114 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
7 . 1157 . 1 1 9 SER H H -2.112 0.371 3.893 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
7 . 1158 . 1 1 9 SER HA H -1.132 -1.518 3.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
7 . 1159 . 1 1 9 SER N N -2.551 -0.009 3.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
7 . 1160 . 1 1 9 SER O O -1.316 -0.360 0.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
7 . 1161 . 1 1 10 CYS C C -2.203 -4.087 -1.274 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
7 . 1162 . 1 1 10 CYS CA C -1.821 -2.669 -0.848 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
7 . 1163 . 1 1 10 CYS CB C -0.345 -2.347 -1.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
7 . 1164 . 1 1 10 CYS H H -2.426 -3.299 1.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
7 . 1165 . 1 1 10 CYS HA H -2.471 -1.977 -1.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
7 . 1166 . 1 1 10 CYS HB2 H 0.098 -1.718 -0.399 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
7 . 1167 . 1 1 10 CYS HB3 H 0.272 -3.266 -1.211 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
7 . 1168 . 1 1 10 CYS N N -2.052 -2.498 0.577 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
7 . 1169 . 1 1 10 CYS O O -3.215 -4.286 -1.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 1
8 . 1170 . 1 1 1 CYS C C 4.298 -6.387 -1.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
8 . 1171 . 1 1 1 CYS CA C 3.811 -7.464 -2.157 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
8 . 1172 . 1 1 1 CYS CB C 2.419 -7.149 -2.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
8 . 1173 . 1 1 1 CYS H1 H 3.739 -8.592 -0.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
8 . 1174 . 1 1 1 CYS H2 H 3.063 -9.333 -1.804 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
8 . 1175 . 1 1 1 CYS HA H 4.485 -7.552 -3.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
8 . 1176 . 1 1 1 CYS HB2 H 1.965 -6.376 -2.088 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
8 . 1177 . 1 1 1 CYS HB3 H 2.525 -6.731 -3.710 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
8 . 1178 . 1 1 1 CYS N N 3.838 -8.744 -1.468 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
8 . 1179 . 1 1 1 CYS O O 5.035 -6.680 -0.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
8 . 1180 . 1 1 1 CYS SG S 1.282 -8.581 -2.788 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
8 . 1181 . 1 1 2 LYS C C 2.994 -3.424 0.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
8 . 1182 . 1 1 2 LYS CA C 4.248 -4.039 -0.608 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
8 . 1183 . 1 1 2 LYS CB C 5.091 -3.039 -1.405 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
8 . 1184 . 1 1 2 LYS CD C 7.572 -3.041 -0.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
8 . 1185 . 1 1 2 LYS CE C 8.560 -2.278 -1.841 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
8 . 1186 . 1 1 2 LYS CG C 6.440 -3.645 -1.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
8 . 1187 . 1 1 2 LYS H H 3.265 -4.933 -2.214 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
8 . 1188 . 1 1 2 LYS HA H 4.878 -4.426 0.191 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
8 . 1189 . 1 1 2 LYS HB2 H 4.552 -2.738 -2.303 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
8 . 1190 . 1 1 2 LYS HB3 H 5.248 -2.138 -0.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
8 . 1191 . 1 1 2 LYS HD2 H 7.156 -2.369 -0.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
8 . 1192 . 1 1 2 LYS HD3 H 8.095 -3.833 -0.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
8 . 1193 . 1 1 2 LYS HE2 H 8.684 -2.801 -2.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
8 . 1194 . 1 1 2 LYS HE3 H 8.162 -1.290 -2.071 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
8 . 1195 . 1 1 2 LYS HG2 H 6.414 -4.725 -1.648 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
8 . 1196 . 1 1 2 LYS HG3 H 6.632 -3.468 -2.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
8 . 1197 . 1 1 2 LYS HZ1 H 10.411 -1.374 -1.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
8 . 1198 . 1 1 2 LYS HZ2 H 9.766 -1.988 -0.167 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
8 . 1199 . 1 1 2 LYS N N 3.865 -5.162 -1.448 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
8 . 1200 . 1 1 2 LYS NZ N 9.868 -2.148 -1.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
8 . 1201 . 1 1 2 LYS O O 2.702 -2.249 -0.195 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
8 . 1202 . 1 1 3 PHE C C 1.216 -2.365 1.937 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
8 . 1203 . 1 1 3 PHE CA C 1.071 -3.803 1.435 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
8 . 1204 . 1 1 3 PHE CB C 0.844 -4.729 2.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
8 . 1205 . 1 1 3 PHE CD1 C 3.027 -5.186 3.769 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
8 . 1206 . 1 1 3 PHE CD2 C 1.535 -3.678 4.796 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
8 . 1207 . 1 1 3 PHE CE1 C 3.950 -4.997 4.831 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
8 . 1208 . 1 1 3 PHE CE2 C 2.459 -3.488 5.858 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
8 . 1209 . 1 1 3 PHE CG C 1.840 -4.523 3.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
8 . 1210 . 1 1 3 PHE CZ C 3.647 -4.151 5.853 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
8 . 1211 . 1 1 3 PHE H H 2.531 -5.204 0.943 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
8 . 1212 . 1 1 3 PHE HA H 0.268 -3.848 0.697 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
8 . 1213 . 1 1 3 PHE HB2 H -0.167 -4.574 3.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
8 . 1214 . 1 1 3 PHE HB3 H 0.902 -5.763 2.293 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
8 . 1215 . 1 1 3 PHE HD1 H 3.270 -5.863 2.951 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
8 . 1216 . 1 1 3 PHE HD2 H 0.584 -3.147 4.799 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
8 . 1217 . 1 1 3 PHE HE1 H 4.902 -5.529 4.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
8 . 1218 . 1 1 3 PHE HE2 H 2.216 -2.811 6.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
8 . 1219 . 1 1 3 PHE HZ H 4.356 -4.005 6.669 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
8 . 1220 . 1 1 3 PHE N N 2.287 -4.249 0.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
8 . 1221 . 1 1 3 PHE O O 0.330 -1.538 1.728 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
8 . 1222 . 1 1 4 PHE C C 3.026 0.178 2.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
8 . 1223 . 1 1 4 PHE CA C 2.614 -0.787 3.125 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
8 . 1224 . 1 1 4 PHE CB C 3.772 -0.934 4.113 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
8 . 1225 . 1 1 4 PHE CD1 C 2.513 0.416 5.806 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
8 . 1226 . 1 1 4 PHE CD2 C 3.979 -1.255 6.588 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
8 . 1227 . 1 1 4 PHE CE1 C 2.175 0.747 7.145 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
8 . 1228 . 1 1 4 PHE CE2 C 3.641 -0.925 7.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
8 . 1229 . 1 1 4 PHE CG C 3.408 -0.578 5.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
8 . 1230 . 1 1 4 PHE CZ C 2.746 0.069 8.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
8 . 1231 . 1 1 4 PHE H H 3.056 -2.790 2.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
8 . 1232 . 1 1 4 PHE HA H 1.694 -0.432 3.590 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
8 . 1233 . 1 1 4 PHE HB2 H 4.134 -1.963 4.084 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
8 . 1234 . 1 1 4 PHE HB3 H 4.596 -0.298 3.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
8 . 1235 . 1 1 4 PHE HD1 H 2.055 0.957 4.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
8 . 1236 . 1 1 4 PHE HD2 H 4.697 -2.050 6.387 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
8 . 1237 . 1 1 4 PHE HE1 H 1.458 1.543 7.346 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
8 . 1238 . 1 1 4 PHE HE2 H 4.099 -1.467 8.755 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
8 . 1239 . 1 1 4 PHE HZ H 2.486 0.322 9.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
8 . 1240 . 1 1 4 PHE N N 2.341 -2.111 2.591 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
8 . 1241 . 1 1 4 PHE O O 2.795 -0.090 0.835 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
8 . 1242 . 1 1 5 DTR C C 2.889 2.677 0.602 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
8 . 1243 . 1 1 5 DTR CA C 4.081 2.289 1.479 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
8 . 1244 . 1 1 5 DTR CB C 4.618 3.455 2.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
8 . 1245 . 1 1 5 DTR CD1 C 6.304 2.138 3.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
8 . 1246 . 1 1 5 DTR CD2 C 7.153 3.992 2.892 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
8 . 1247 . 1 1 5 DTR CE2 C 8.149 3.389 3.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
8 . 1248 . 1 1 5 DTR CE3 C 7.379 5.201 2.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
8 . 1249 . 1 1 5 DTR CG C 5.966 3.175 2.978 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
8 . 1250 . 1 1 5 DTR CH2 C 9.685 5.124 3.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
8 . 1251 . 1 1 5 DTR CZ2 C 9.437 3.921 3.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
8 . 1252 . 1 1 5 DTR CZ3 C 8.673 5.719 2.351 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
8 . 1253 . 1 1 5 DTR H H 3.818 1.492 3.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
8 . 1254 . 1 1 5 DTR HA H 4.856 1.819 0.874 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
8 . 1255 . 1 1 5 DTR HB2 H 4.715 4.332 1.671 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
8 . 1256 . 1 1 5 DTR HB3 H 3.889 3.704 3.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
8 . 1257 . 1 1 5 DTR HD1 H 5.626 1.326 4.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
8 . 1258 . 1 1 5 DTR HE1 H 8.136 1.513 4.815 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
8 . 1259 . 1 1 5 DTR HE3 H 6.609 5.695 1.618 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
8 . 1260 . 1 1 5 DTR HH2 H 10.668 5.592 3.156 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
8 . 1261 . 1 1 5 DTR HZ2 H 10.205 3.424 4.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
8 . 1262 . 1 1 5 DTR HZ3 H 8.901 6.656 1.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
8 . 1263 . 1 1 5 DTR N N 3.633 1.282 2.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
8 . 1264 . 1 1 5 DTR NE1 N 7.615 2.224 4.176 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
8 . 1265 . 1 1 5 DTR O O 1.798 2.131 0.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
8 . 1266 . 1 1 6 IAM C C 0.893 4.615 -0.417 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
8 . 1267 . 1 1 6 IAM CA C 2.099 4.087 -1.198 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
8 . 1268 . 1 1 6 IAM CB C 1.660 2.885 -2.037 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
8 . 1269 . 1 1 6 IAM CD1 C -0.010 4.358 -3.181 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
8 . 1270 . 1 1 6 IAM CD2 C -0.446 2.045 -3.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
8 . 1271 . 1 1 6 IAM CE1 C -1.224 4.562 -3.891 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
8 . 1272 . 1 1 6 IAM CE2 C -1.660 2.248 -3.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
8 . 1273 . 1 1 6 IAM CG C 0.352 3.104 -2.800 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
8 . 1274 . 1 1 6 IAM CI C -2.593 3.091 -7.329 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
8 . 1275 . 1 1 6 IAM CK1 C -3.269 2.444 -8.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
8 . 1276 . 1 1 6 IAM CK2 C -1.175 2.518 -7.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
8 . 1277 . 1 1 6 IAM CT C -3.336 3.724 -4.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
8 . 1278 . 1 1 6 IAM CZ C -2.023 3.503 -4.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
8 . 1279 . 1 1 6 IAM H H 4.028 4.059 -0.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
8 . 1280 . 1 1 6 IAM HA H 2.526 4.894 -1.792 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
8 . 1281 . 1 1 6 IAM HB H 1.545 2.020 -1.384 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
8 . 1282 . 1 1 6 IAM HB1 H 2.448 2.645 -2.750 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
8 . 1283 . 1 1 6 IAM HD1 H 0.629 5.207 -2.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
8 . 1284 . 1 1 6 IAM HD2 H -0.155 1.040 -2.795 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
8 . 1285 . 1 1 6 IAM HE1 H -1.515 5.567 -4.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
8 . 1286 . 1 1 6 IAM HE2 H -2.299 1.399 -4.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
8 . 1287 . 1 1 6 IAM HH H -3.978 1.957 -6.074 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
8 . 1288 . 1 1 6 IAM HI H -2.537 4.150 -7.473 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
8 . 1289 . 1 1 6 IAM HK11 H -3.326 1.383 -8.408 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
8 . 1290 . 1 1 6 IAM HK12 H -4.255 2.841 -8.668 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
8 . 1291 . 1 1 6 IAM HK13 H -2.694 2.652 -9.430 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
8 . 1292 . 1 1 6 IAM HK21 H -0.706 2.969 -6.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
8 . 1293 . 1 1 6 IAM HK22 H -1.231 1.459 -7.017 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
8 . 1294 . 1 1 6 IAM HK23 H -0.598 2.728 -8.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
8 . 1295 . 1 1 6 IAM HT1 H -3.382 4.736 -5.306 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
8 . 1296 . 1 1 6 IAM HT2 H -4.169 3.529 -4.313 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
8 . 1297 . 1 1 6 IAM N N 3.138 3.619 -0.296 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
8 . 1298 . 1 1 6 IAM NH N -3.388 2.802 -6.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
8 . 1299 . 1 1 6 IAM O O 0.753 5.822 -0.226 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
8 . 1300 . 1 1 7 THR C C -1.567 2.878 1.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
8 . 1301 . 1 1 7 THR CA C -1.135 4.041 0.769 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
8 . 1302 . 1 1 7 THR CB C -2.215 4.478 -0.224 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
8 . 1303 . 1 1 7 THR CG2 C -2.787 3.302 -1.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
8 . 1304 . 1 1 7 THR H H 0.175 2.705 -0.145 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
8 . 1305 . 1 1 7 THR HA H -0.887 4.876 1.425 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
8 . 1306 . 1 1 7 THR HB H -1.839 5.254 -0.891 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
8 . 1307 . 1 1 7 THR HG1 H -3.562 4.159 1.220 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
8 . 1308 . 1 1 7 THR HG21 H -3.816 3.522 -1.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
8 . 1309 . 1 1 7 THR HG22 H -2.190 3.149 -1.919 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
8 . 1310 . 1 1 7 THR HG23 H -2.761 2.402 -0.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
8 . 1311 . 1 1 7 THR N N 0.053 3.684 0.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
8 . 1312 . 1 1 7 THR O O -0.739 2.073 2.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
8 . 1313 . 1 1 7 THR OG1 O -3.298 4.898 0.601 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
8 . 1314 . 1 1 8 THR C C -2.864 0.407 2.363 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
8 . 1315 . 1 1 8 THR CA C -3.417 1.775 2.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
8 . 1316 . 1 1 8 THR CB C -4.953 1.767 2.507 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
8 . 1317 . 1 1 8 THR H H -3.534 3.485 1.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
8 . 1318 . 1 1 8 THR HA H -3.213 1.922 3.841 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
8 . 1319 . 1 1 8 THR N N -2.865 2.827 1.928 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
8 . 1320 . 1 1 8 THR O O -2.165 0.287 1.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
8 . 1321 . 1 1 9 SER C C -3.472 -2.533 1.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
8 . 1322 . 1 1 9 SER CA C -2.739 -1.945 2.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
8 . 1323 . 1 1 9 SER CB C -2.928 -2.760 4.193 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
8 . 1324 . 1 1 9 SER H H -3.764 -0.484 3.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
8 . 1325 . 1 1 9 SER HA H -1.680 -1.909 2.657 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
8 . 1326 . 1 1 9 SER N N -3.195 -0.590 3.171 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
8 . 1327 . 1 1 9 SER O O -4.694 -2.435 1.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
8 . 1328 . 1 1 10 CYS C C -2.285 -4.778 -0.944 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
8 . 1329 . 1 1 10 CYS CA C -3.253 -3.735 -0.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
8 . 1330 . 1 1 10 CYS CB C -3.588 -2.645 -1.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
8 . 1331 . 1 1 10 CYS H H -1.701 -3.207 0.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
8 . 1332 . 1 1 10 CYS HA H -4.186 -4.269 -0.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
8 . 1333 . 1 1 10 CYS HB2 H -3.948 -1.732 -0.919 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
8 . 1334 . 1 1 10 CYS HB3 H -2.681 -2.325 -1.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
8 . 1335 . 1 1 10 CYS N N -2.694 -3.131 0.814 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
8 . 1336 . 1 1 10 CYS O O -2.590 -5.970 -0.957 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 1
9 . 1337 . 1 1 1 CYS C C 2.562 -5.125 -2.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
9 . 1338 . 1 1 1 CYS CA C 2.244 -6.564 -3.185 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
9 . 1339 . 1 1 1 CYS CB C 2.057 -7.479 -1.974 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
9 . 1340 . 1 1 1 CYS H1 H 2.976 -7.042 -5.031 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
9 . 1341 . 1 1 1 CYS H2 H 4.121 -6.406 -3.976 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
9 . 1342 . 1 1 1 CYS HA H 1.324 -6.605 -3.768 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
9 . 1343 . 1 1 1 CYS HB2 H 2.809 -7.225 -1.226 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
9 . 1344 . 1 1 1 CYS HB3 H 1.084 -7.274 -1.528 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
9 . 1345 . 1 1 1 CYS N N 3.307 -7.034 -4.056 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
9 . 1346 . 1 1 1 CYS O O 3.243 -4.403 -3.499 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
9 . 1347 . 1 1 1 CYS SG S 2.172 -9.269 -2.337 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
9 . 1348 . 1 1 2 LYS C C 2.321 -3.464 0.441 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
9 . 1349 . 1 1 2 LYS CA C 2.276 -3.413 -1.088 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
9 . 1350 . 1 1 2 LYS CB C 1.228 -2.444 -1.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
9 . 1351 . 1 1 2 LYS CD C 2.612 -1.326 -3.427 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
9 . 1352 . 1 1 2 LYS CE C 2.096 -0.349 -4.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
9 . 1353 . 1 1 2 LYS CG C 1.876 -1.136 -2.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
9 . 1354 . 1 1 2 LYS H H 1.501 -5.345 -1.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
9 . 1355 . 1 1 2 LYS HA H 3.247 -3.078 -1.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
9 . 1356 . 1 1 2 LYS HB2 H 0.703 -2.908 -2.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
9 . 1357 . 1 1 2 LYS HB3 H 0.482 -2.235 -0.874 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
9 . 1358 . 1 1 2 LYS HD2 H 3.682 -1.176 -3.278 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
9 . 1359 . 1 1 2 LYS HD3 H 2.481 -2.350 -3.777 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
9 . 1360 . 1 1 2 LYS HE2 H 1.013 -0.427 -4.560 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
9 . 1361 . 1 1 2 LYS HE3 H 2.322 0.675 -4.183 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
9 . 1362 . 1 1 2 LYS HG2 H 1.113 -0.367 -2.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
9 . 1363 . 1 1 2 LYS HG3 H 2.575 -0.787 -1.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
9 . 1364 . 1 1 2 LYS HZ1 H 2.689 0.174 -6.413 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
9 . 1365 . 1 1 2 LYS HZ2 H 3.688 -0.903 -5.710 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
9 . 1366 . 1 1 2 LYS N N 2.054 -4.751 -1.607 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
9 . 1367 . 1 1 2 LYS NZ N 2.714 -0.633 -5.798 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
9 . 1368 . 1 1 2 LYS O O 1.366 -3.070 1.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
9 . 1369 . 1 1 3 PHE C C 2.994 -2.870 3.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
9 . 1370 . 1 1 3 PHE CA C 3.625 -4.061 2.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
9 . 1371 . 1 1 3 PHE CB C 5.132 -4.061 2.648 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
9 . 1372 . 1 1 3 PHE CD1 C 5.723 -1.867 3.698 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
9 . 1373 . 1 1 3 PHE CD2 C 5.769 -3.791 5.056 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
9 . 1374 . 1 1 3 PHE CE1 C 6.119 -1.074 4.808 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
9 . 1375 . 1 1 3 PHE CE2 C 6.164 -2.999 6.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
9 . 1376 . 1 1 3 PHE CG C 5.557 -3.208 3.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
9 . 1377 . 1 1 3 PHE CZ C 6.330 -1.657 6.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
9 . 1378 . 1 1 3 PHE H H 4.215 -4.273 0.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
9 . 1379 . 1 1 3 PHE HA H 3.133 -4.981 2.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
9 . 1380 . 1 1 3 PHE HB2 H 5.462 -5.088 2.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
9 . 1381 . 1 1 3 PHE HB3 H 5.646 -3.700 1.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
9 . 1382 . 1 1 3 PHE HD1 H 5.553 -1.400 2.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
9 . 1383 . 1 1 3 PHE HD2 H 5.636 -4.867 5.173 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
9 . 1384 . 1 1 3 PHE HE1 H 6.252 0.002 4.690 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
9 . 1385 . 1 1 3 PHE HE2 H 6.333 -3.466 7.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
9 . 1386 . 1 1 3 PHE HZ H 6.635 -1.049 6.870 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
9 . 1387 . 1 1 3 PHE N N 3.442 -3.954 0.950 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
9 . 1388 . 1 1 3 PHE O O 2.283 -3.046 4.101 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
9 . 1389 . 1 1 4 PHE C C 3.389 0.771 2.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
9 . 1390 . 1 1 4 PHE CA C 2.746 -0.466 3.176 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
9 . 1391 . 1 1 4 PHE CB C 3.088 -0.498 4.667 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
9 . 1392 . 1 1 4 PHE CD1 C 0.820 0.356 5.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
9 . 1393 . 1 1 4 PHE CD2 C 1.824 -1.258 6.691 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
9 . 1394 . 1 1 4 PHE CE1 C -0.314 0.386 6.153 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
9 . 1395 . 1 1 4 PHE CE2 C 0.691 -1.229 7.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
9 . 1396 . 1 1 4 PHE CG C 1.865 -0.466 5.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
9 . 1397 . 1 1 4 PHE CZ C -0.355 -0.407 7.257 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
9 . 1398 . 1 1 4 PHE H H 3.856 -1.552 1.787 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
9 . 1399 . 1 1 4 PHE HA H 1.674 -0.454 2.981 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
9 . 1400 . 1 1 4 PHE HB2 H 3.665 -1.399 4.877 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
9 . 1401 . 1 1 4 PHE HB3 H 3.729 0.352 4.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
9 . 1402 . 1 1 4 PHE HD1 H 0.854 0.991 4.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
9 . 1403 . 1 1 4 PHE HD2 H 2.663 -1.916 6.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
9 . 1404 . 1 1 4 PHE HE1 H -1.152 1.046 5.923 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
9 . 1405 . 1 1 4 PHE HE2 H 0.657 -1.863 8.430 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
9 . 1406 . 1 1 4 PHE HZ H -1.226 -0.384 7.912 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
9 . 1407 . 1 1 4 PHE N N 3.278 -1.685 2.592 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
9 . 1408 . 1 1 4 PHE O O 3.957 0.692 1.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
9 . 1409 . 1 1 5 DTR C C 3.071 3.554 1.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
9 . 1410 . 1 1 5 DTR CA C 3.846 3.135 2.776 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
9 . 1411 . 1 1 5 DTR CB C 3.712 4.135 3.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
9 . 1412 . 1 1 5 DTR CD1 C 4.600 2.886 6.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
9 . 1413 . 1 1 5 DTR CD2 C 5.830 4.642 5.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
9 . 1414 . 1 1 5 DTR CE2 C 6.409 4.071 6.562 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
9 . 1415 . 1 1 5 DTR CE3 C 6.379 5.787 4.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
9 . 1416 . 1 1 5 DTR CG C 4.663 3.870 5.096 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
9 . 1417 . 1 1 5 DTR CH2 C 8.130 5.714 6.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
9 . 1418 . 1 1 5 DTR CZ2 C 7.565 4.574 7.170 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
9 . 1419 . 1 1 5 DTR CZ3 C 7.535 6.278 5.463 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
9 . 1420 . 1 1 5 DTR H H 2.818 1.939 4.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
9 . 1421 . 1 1 5 DTR HA H 4.884 2.927 2.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
9 . 1422 . 1 1 5 DTR HB2 H 3.894 5.140 3.545 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
9 . 1423 . 1 1 5 DTR HB3 H 2.686 4.115 4.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
9 . 1424 . 1 1 5 DTR HD1 H 3.828 2.117 6.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
9 . 1425 . 1 1 5 DTR HE1 H 5.817 2.293 7.749 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
9 . 1426 . 1 1 5 DTR HE3 H 5.940 6.255 3.963 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
9 . 1427 . 1 1 5 DTR HH2 H 9.031 6.157 7.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
9 . 1428 . 1 1 5 DTR HZ2 H 8.002 4.104 8.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
9 . 1429 . 1 1 5 DTR HZ3 H 8.001 7.165 5.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
9 . 1430 . 1 1 5 DTR N N 3.280 1.883 3.255 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
9 . 1431 . 1 1 5 DTR NE1 N 5.636 2.968 6.912 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
9 . 1432 . 1 1 5 DTR O O 2.149 2.863 1.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
9 . 1433 . 1 1 6 IAM C C 1.344 5.453 0.020 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
9 . 1434 . 1 1 6 IAM CA C 2.835 5.208 -0.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
9 . 1435 . 1 1 6 IAM CB C 2.993 4.148 -1.316 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
9 . 1436 . 1 1 6 IAM CD1 C 1.370 5.428 -2.729 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
9 . 1437 . 1 1 6 IAM CD2 C 1.571 3.111 -3.096 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
9 . 1438 . 1 1 6 IAM CE1 C 0.391 5.507 -3.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
9 . 1439 . 1 1 6 IAM CE2 C 0.592 3.189 -4.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
9 . 1440 . 1 1 6 IAM CG C 1.939 4.232 -2.421 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
9 . 1441 . 1 1 6 IAM CI C -1.720 2.893 -7.443 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
9 . 1442 . 1 1 6 IAM CK1 C -1.108 1.721 -8.232 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
9 . 1443 . 1 1 6 IAM CK2 C -2.333 3.908 -8.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
9 . 1444 . 1 1 6 IAM CT C -1.036 4.470 -5.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
9 . 1445 . 1 1 6 IAM CZ C 0.023 4.385 -4.430 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
9 . 1446 . 1 1 6 IAM H H 4.229 5.244 1.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
9 . 1447 . 1 1 6 IAM HA H 3.321 6.152 -0.466 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
9 . 1448 . 1 1 6 IAM HB H 2.947 3.160 -0.860 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
9 . 1449 . 1 1 6 IAM HB1 H 3.981 4.247 -1.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
9 . 1450 . 1 1 6 IAM HD1 H 1.665 6.327 -2.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
9 . 1451 . 1 1 6 IAM HD2 H 2.026 2.152 -2.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
9 . 1452 . 1 1 6 IAM HE1 H -0.064 6.466 -4.004 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
9 . 1453 . 1 1 6 IAM HE2 H 0.297 2.290 -4.665 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
9 . 1454 . 1 1 6 IAM HH H 0.328 3.378 -6.855 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
9 . 1455 . 1 1 6 IAM HI H -2.482 2.523 -6.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
9 . 1456 . 1 1 6 IAM HK11 H -0.344 2.090 -8.886 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
9 . 1457 . 1 1 6 IAM HK12 H -0.681 1.016 -7.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
9 . 1458 . 1 1 6 IAM HK13 H -1.870 1.242 -8.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
9 . 1459 . 1 1 6 IAM HK21 H -2.757 4.723 -7.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
9 . 1460 . 1 1 6 IAM HK22 H -1.571 4.280 -9.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
9 . 1461 . 1 1 6 IAM HK23 H -3.096 3.432 -9.003 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
9 . 1462 . 1 1 6 IAM HT1 H -1.085 5.474 -5.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
9 . 1463 . 1 1 6 IAM HT2 H -1.992 4.187 -5.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
9 . 1464 . 1 1 6 IAM N N 3.477 4.688 0.971 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
9 . 1465 . 1 1 6 IAM NH N -0.665 3.554 -6.644 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
9 . 1466 . 1 1 6 IAM O O 0.922 6.591 0.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
9 . 1467 . 1 1 7 THR C C -1.358 3.187 0.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
9 . 1468 . 1 1 7 THR CA C -0.850 4.449 0.202 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
9 . 1469 . 1 1 7 THR CB C -1.517 4.704 -1.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
9 . 1470 . 1 1 7 THR CG2 C -1.530 3.460 -2.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
9 . 1471 . 1 1 7 THR H H 0.935 3.445 -0.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
9 . 1472 . 1 1 7 THR HA H -1.052 5.288 0.870 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
9 . 1473 . 1 1 7 THR HB H -1.048 5.545 -1.663 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
9 . 1474 . 1 1 7 THR HG1 H -3.244 4.132 -0.321 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
9 . 1475 . 1 1 7 THR HG21 H -2.390 3.500 -2.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
9 . 1476 . 1 1 7 THR HG22 H -0.614 3.426 -2.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
9 . 1477 . 1 1 7 THR HG23 H -1.592 2.567 -1.418 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
9 . 1478 . 1 1 7 THR N N 0.585 4.367 -0.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
9 . 1479 . 1 1 7 THR O O -0.613 2.531 1.627 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
9 . 1480 . 1 1 7 THR OG1 O -2.888 4.915 -0.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
9 . 1481 . 1 1 8 THR C C -2.404 0.459 0.994 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
9 . 1482 . 1 1 8 THR CA C -3.241 1.711 1.253 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
9 . 1483 . 1 1 8 THR CB C -4.615 1.525 0.545 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
9 . 1484 . 1 1 8 THR H H -3.225 3.422 0.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
9 . 1485 . 1 1 8 THR HA H -3.386 1.803 2.346 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
9 . 1486 . 1 1 8 THR N N -2.625 2.885 0.657 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
9 . 1487 . 1 1 8 THR O O -1.444 0.498 0.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
9 . 1488 . 1 1 9 SER C C -3.014 -2.940 0.884 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
9 . 1489 . 1 1 9 SER CA C -2.092 -1.885 1.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
9 . 1490 . 1 1 9 SER CB C -1.541 -2.287 2.871 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
9 . 1491 . 1 1 9 SER H H -3.577 -0.647 2.275 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
9 . 1492 . 1 1 9 SER HA H -1.266 -1.738 0.805 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
9 . 1493 . 1 1 9 SER N N -2.795 -0.623 1.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
9 . 1494 . 1 1 9 SER O O -4.223 -2.917 1.105 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
9 . 1495 . 1 1 10 CYS C C -2.695 -6.264 -0.006 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
9 . 1496 . 1 1 10 CYS CA C -3.158 -4.900 -0.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
9 . 1497 . 1 1 10 CYS CB C -3.017 -4.799 -2.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
9 . 1498 . 1 1 10 CYS H H -1.422 -3.852 -0.049 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
9 . 1499 . 1 1 10 CYS HA H -4.229 -4.806 -0.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
9 . 1500 . 1 1 10 CYS HB2 H -2.980 -5.814 -2.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
9 . 1501 . 1 1 10 CYS HB3 H -3.910 -4.325 -2.517 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
9 . 1502 . 1 1 10 CYS N N -2.407 -3.841 0.125 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
9 . 1503 . 1 1 10 CYS O O -3.374 -6.885 0.810 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 1
10 . 1504 . 1 1 1 CYS C C 2.618 -6.177 -1.415 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS C . . rr_1xxz 1
10 . 1505 . 1 1 1 CYS CA C 1.646 -7.239 -0.895 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CA . . rr_1xxz 1
10 . 1506 . 1 1 1 CYS CB C 2.376 -8.375 -0.174 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS CB . . rr_1xxz 1
10 . 1507 . 1 1 1 CYS H1 H 1.491 -8.120 -2.730 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H1 . . rr_1xxz 1
10 . 1508 . 1 1 1 CYS H2 H 0.218 -8.465 -1.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS H2 . . rr_1xxz 1
10 . 1509 . 1 1 1 CYS HA H 0.942 -6.805 -0.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HA . . rr_1xxz 1
10 . 1510 . 1 1 1 CYS HB2 H 1.957 -9.325 -0.506 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB2 . . rr_1xxz 1
10 . 1511 . 1 1 1 CYS HB3 H 3.424 -8.366 -0.476 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS HB3 . . rr_1xxz 1
10 . 1512 . 1 1 1 CYS N N 0.862 -7.730 -2.014 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS N . . rr_1xxz 1
10 . 1513 . 1 1 1 CYS O O 2.381 -5.576 -2.463 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS O . . rr_1xxz 1
10 . 1514 . 1 1 1 CYS SG S 2.292 -8.304 1.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 CYS SG . . rr_1xxz 1
10 . 1515 . 1 1 2 LYS C C 4.007 -3.751 -1.585 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS C . . rr_1xxz 1
10 . 1516 . 1 1 2 LYS CA C 4.696 -5.001 -1.035 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CA . . rr_1xxz 1
10 . 1517 . 1 1 2 LYS CB C 5.711 -5.618 -1.999 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CB . . rr_1xxz 1
10 . 1518 . 1 1 2 LYS CD C 6.224 -7.819 -0.880 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CD . . rr_1xxz 1
10 . 1519 . 1 1 2 LYS CE C 7.192 -8.916 -1.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CE . . rr_1xxz 1
10 . 1520 . 1 1 2 LYS CG C 6.761 -6.433 -1.243 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS CG . . rr_1xxz 1
10 . 1521 . 1 1 2 LYS H H 3.872 -6.473 0.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS H . . rr_1xxz 1
10 . 1522 . 1 1 2 LYS HA H 5.237 -4.728 -0.130 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HA . . rr_1xxz 1
10 . 1523 . 1 1 2 LYS HB2 H 5.196 -6.258 -2.715 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB2 . . rr_1xxz 1
10 . 1524 . 1 1 2 LYS HB3 H 6.200 -4.831 -2.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HB3 . . rr_1xxz 1
10 . 1525 . 1 1 2 LYS HD2 H 6.067 -7.881 0.198 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD2 . . rr_1xxz 1
10 . 1526 . 1 1 2 LYS HD3 H 5.254 -7.971 -1.352 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HD3 . . rr_1xxz 1
10 . 1527 . 1 1 2 LYS HE2 H 6.902 -9.291 -2.305 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE2 . . rr_1xxz 1
10 . 1528 . 1 1 2 LYS HE3 H 8.197 -8.503 -1.425 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HE3 . . rr_1xxz 1
10 . 1529 . 1 1 2 LYS HG2 H 7.658 -6.535 -1.854 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG2 . . rr_1xxz 1
10 . 1530 . 1 1 2 LYS HG3 H 7.053 -5.904 -0.336 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HG3 . . rr_1xxz 1
10 . 1531 . 1 1 2 LYS HZ1 H 8.054 -10.574 -0.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ1 . . rr_1xxz 1
10 . 1532 . 1 1 2 LYS HZ2 H 7.131 -9.692 0.608 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS HZ2 . . rr_1xxz 1
10 . 1533 . 1 1 2 LYS N N 3.689 -5.979 -0.662 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS N . . rr_1xxz 1
10 . 1534 . 1 1 2 LYS NZ N 7.203 -10.026 -0.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS NZ . . rr_1xxz 1
10 . 1535 . 1 1 2 LYS O O 4.333 -3.289 -2.678 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 LYS O . . rr_1xxz 1
10 . 1536 . 1 1 3 PHE C C 2.250 -1.046 -0.048 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE C . . rr_1xxz 1
10 . 1537 . 1 1 3 PHE CA C 2.330 -2.051 -1.200 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CA . . rr_1xxz 1
10 . 1538 . 1 1 3 PHE CB C 0.916 -2.505 -1.564 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CB . . rr_1xxz 1
10 . 1539 . 1 1 3 PHE CD1 C 0.677 -0.272 -2.674 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD1 . . rr_1xxz 1
10 . 1540 . 1 1 3 PHE CD2 C -1.147 -1.760 -2.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CD2 . . rr_1xxz 1
10 . 1541 . 1 1 3 PHE CE1 C -0.061 0.684 -3.420 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE1 . . rr_1xxz 1
10 . 1542 . 1 1 3 PHE CE2 C -1.885 -0.805 -3.522 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CE2 . . rr_1xxz 1
10 . 1543 . 1 1 3 PHE CG C 0.119 -1.474 -2.368 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CG . . rr_1xxz 1
10 . 1544 . 1 1 3 PHE CZ C -1.327 0.398 -3.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE CZ . . rr_1xxz 1
10 . 1545 . 1 1 3 PHE H H 2.809 -3.621 0.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE H . . rr_1xxz 1
10 . 1546 . 1 1 3 PHE HA H 2.866 -1.601 -2.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HA . . rr_1xxz 1
10 . 1547 . 1 1 3 PHE HB2 H 0.978 -3.429 -2.139 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB2 . . rr_1xxz 1
10 . 1548 . 1 1 3 PHE HB3 H 0.371 -2.735 -0.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HB3 . . rr_1xxz 1
10 . 1549 . 1 1 3 PHE HD1 H 1.692 -0.044 -2.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD1 . . rr_1xxz 1
10 . 1550 . 1 1 3 PHE HD2 H -1.594 -2.723 -2.529 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HD2 . . rr_1xxz 1
10 . 1551 . 1 1 3 PHE HE1 H 0.386 1.647 -3.666 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE1 . . rr_1xxz 1
10 . 1552 . 1 1 3 PHE HE2 H -2.899 -1.034 -3.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HE2 . . rr_1xxz 1
10 . 1553 . 1 1 3 PHE HZ H -1.894 1.132 -4.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE HZ . . rr_1xxz 1
10 . 1554 . 1 1 3 PHE N N 3.067 -3.240 -0.804 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE N . . rr_1xxz 1
10 . 1555 . 1 1 3 PHE O O 1.582 -0.021 -0.160 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 PHE O . . rr_1xxz 1
10 . 1556 . 1 1 4 PHE C C 3.403 0.901 1.833 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE C . . rr_1xxz 1
10 . 1557 . 1 1 4 PHE CA C 2.960 -0.515 2.202 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CA . . rr_1xxz 1
10 . 1558 . 1 1 4 PHE CB C 3.970 -1.114 3.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CB . . rr_1xxz 1
10 . 1559 . 1 1 4 PHE CD1 C 6.144 -0.740 1.996 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD1 . . rr_1xxz 1
10 . 1560 . 1 1 4 PHE CD2 C 5.500 -2.959 2.457 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CD2 . . rr_1xxz 1
10 . 1561 . 1 1 4 PHE CE1 C 7.333 -1.213 1.381 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE1 . . rr_1xxz 1
10 . 1562 . 1 1 4 PHE CE2 C 6.690 -3.433 1.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CE2 . . rr_1xxz 1
10 . 1563 . 1 1 4 PHE CG C 5.253 -1.623 2.520 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CG . . rr_1xxz 1
10 . 1564 . 1 1 4 PHE CZ C 7.581 -2.550 1.318 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE CZ . . rr_1xxz 1
10 . 1565 . 1 1 4 PHE H H 3.486 -2.213 1.115 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE H . . rr_1xxz 1
10 . 1566 . 1 1 4 PHE HA H 1.944 -0.485 2.597 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HA . . rr_1xxz 1
10 . 1567 . 1 1 4 PHE HB2 H 4.232 -0.359 3.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB2 . . rr_1xxz 1
10 . 1568 . 1 1 4 PHE HB3 H 3.499 -1.937 3.718 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HB3 . . rr_1xxz 1
10 . 1569 . 1 1 4 PHE HD1 H 5.946 0.331 2.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD1 . . rr_1xxz 1
10 . 1570 . 1 1 4 PHE HD2 H 4.784 -3.665 2.879 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HD2 . . rr_1xxz 1
10 . 1571 . 1 1 4 PHE HE1 H 8.048 -0.506 0.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE1 . . rr_1xxz 1
10 . 1572 . 1 1 4 PHE HE2 H 6.888 -4.503 1.792 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HE2 . . rr_1xxz 1
10 . 1573 . 1 1 4 PHE HZ H 8.494 -2.913 0.846 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE HZ . . rr_1xxz 1
10 . 1574 . 1 1 4 PHE N N 2.943 -1.377 1.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE N . . rr_1xxz 1
10 . 1575 . 1 1 4 PHE O O 3.538 1.227 0.655 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 PHE O . . rr_1xxz 1
10 . 1576 . 1 1 5 DTR C C 3.010 3.768 1.761 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR C . . rr_1xxz 1
10 . 1577 . 1 1 5 DTR CA C 4.037 3.083 2.663 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CA . . rr_1xxz 1
10 . 1578 . 1 1 5 DTR CB C 4.127 3.714 4.055 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CB . . rr_1xxz 1
10 . 1579 . 1 1 5 DTR CD1 C 5.643 1.943 5.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD1 . . rr_1xxz 1
10 . 1580 . 1 1 5 DTR CD2 C 6.296 4.023 5.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CD2 . . rr_1xxz 1
10 . 1581 . 1 1 5 DTR CE2 C 7.182 3.184 6.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE2 . . rr_1xxz 1
10 . 1582 . 1 1 5 DTR CE3 C 6.437 5.421 5.613 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CE3 . . rr_1xxz 1
10 . 1583 . 1 1 5 DTR CG C 5.305 3.211 4.891 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CG . . rr_1xxz 1
10 . 1584 . 1 1 5 DTR CH2 C 8.435 5.036 7.017 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CH2 . . rr_1xxz 1
10 . 1585 . 1 1 5 DTR CZ2 C 8.273 3.647 6.945 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ2 . . rr_1xxz 1
10 . 1586 . 1 1 5 DTR CZ3 C 7.533 5.868 6.363 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR CZ3 . . rr_1xxz 1
10 . 1587 . 1 1 5 DTR H H 3.501 1.436 3.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR H . . rr_1xxz 1
10 . 1588 . 1 1 5 DTR HA H 5.006 3.036 2.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HA . . rr_1xxz 1
10 . 1589 . 1 1 5 DTR HB2 H 4.205 4.796 3.947 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB2 . . rr_1xxz 1
10 . 1590 . 1 1 5 DTR HB3 H 3.201 3.513 4.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HB3 . . rr_1xxz 1
10 . 1591 . 1 1 5 DTR HD1 H 5.093 1.072 4.807 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HD1 . . rr_1xxz 1
10 . 1592 . 1 1 5 DTR HE1 H 7.256 0.972 6.317 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE1 . . rr_1xxz 1
10 . 1593 . 1 1 5 DTR HE3 H 5.749 6.103 5.112 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HE3 . . rr_1xxz 1
10 . 1594 . 1 1 5 DTR HH2 H 9.264 5.463 7.581 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HH2 . . rr_1xxz 1
10 . 1595 . 1 1 5 DTR HZ2 H 8.960 2.964 7.445 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ2 . . rr_1xxz 1
10 . 1596 . 1 1 5 DTR HZ3 H 7.689 6.944 6.440 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR HZ3 . . rr_1xxz 1
10 . 1597 . 1 1 5 DTR N N 3.614 1.708 2.864 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR N . . rr_1xxz 1
10 . 1598 . 1 1 5 DTR NE1 N 6.773 1.879 5.954 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR NE1 . . rr_1xxz 1
10 . 1599 . 1 1 5 DTR O O 2.041 3.142 1.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DTR O . . rr_1xxz 1
10 . 1600 . 1 1 6 IAM C C 0.941 5.823 1.216 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM C . . rr_1xxz 1
10 . 1601 . 1 1 6 IAM CA C 2.363 5.819 0.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CA . . rr_1xxz 1
10 . 1602 . 1 1 6 IAM CB C 2.353 5.149 -0.722 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CB . . rr_1xxz 1
10 . 1603 . 1 1 6 IAM CD1 C 0.812 4.851 -2.673 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD1 . . rr_1xxz 1
10 . 1604 . 1 1 6 IAM CD2 C 0.650 6.843 -1.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CD2 . . rr_1xxz 1
10 . 1605 . 1 1 6 IAM CE1 C -0.231 5.300 -3.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE1 . . rr_1xxz 1
10 . 1606 . 1 1 6 IAM CE2 C -0.394 7.293 -2.280 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CE2 . . rr_1xxz 1
10 . 1607 . 1 1 6 IAM CG C 1.230 5.633 -1.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CG . . rr_1xxz 1
10 . 1608 . 1 1 6 IAM CI C -1.751 9.037 -5.774 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CI . . rr_1xxz 1
10 . 1609 . 1 1 6 IAM CK1 C -0.707 9.642 -6.732 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK1 . . rr_1xxz 1
10 . 1610 . 1 1 6 IAM CK2 C -1.829 9.887 -4.495 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CK2 . . rr_1xxz 1
10 . 1611 . 1 1 6 IAM CT C -1.941 6.997 -4.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CT . . rr_1xxz 1
10 . 1612 . 1 1 6 IAM CZ C -0.810 6.511 -3.313 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM CZ . . rr_1xxz 1
10 . 1613 . 1 1 6 IAM H H 4.046 5.544 1.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM H . . rr_1xxz 1
10 . 1614 . 1 1 6 IAM HA H 2.745 6.839 0.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HA . . rr_1xxz 1
10 . 1615 . 1 1 6 IAM HB H 2.261 4.072 -0.590 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB . . rr_1xxz 1
10 . 1616 . 1 1 6 IAM HB1 H 3.310 5.330 -1.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HB1 . . rr_1xxz 1
10 . 1617 . 1 1 6 IAM HD1 H 1.278 3.881 -2.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD1 . . rr_1xxz 1
10 . 1618 . 1 1 6 IAM HD2 H 0.985 7.469 -0.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HD2 . . rr_1xxz 1
10 . 1619 . 1 1 6 IAM HE1 H -0.567 4.674 -4.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE1 . . rr_1xxz 1
10 . 1620 . 1 1 6 IAM HE2 H -0.860 8.262 -2.107 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HE2 . . rr_1xxz 1
10 . 1621 . 1 1 6 IAM HH H -0.673 7.150 -6.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HH . . rr_1xxz 1
10 . 1622 . 1 1 6 IAM HI H -2.708 9.024 -6.254 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HI . . rr_1xxz 1
10 . 1623 . 1 1 6 IAM HK11 H 0.250 9.655 -6.253 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK11 . . rr_1xxz 1
10 . 1624 . 1 1 6 IAM HK12 H -0.653 9.050 -7.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK12 . . rr_1xxz 1
10 . 1625 . 1 1 6 IAM HK13 H -0.993 10.642 -6.986 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK13 . . rr_1xxz 1
10 . 1626 . 1 1 6 IAM HK21 H -2.554 9.467 -3.831 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK21 . . rr_1xxz 1
10 . 1627 . 1 1 6 IAM HK22 H -0.874 9.901 -4.015 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK22 . . rr_1xxz 1
10 . 1628 . 1 1 6 IAM HK23 H -2.115 10.888 -4.747 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HK23 . . rr_1xxz 1
10 . 1629 . 1 1 6 IAM HT1 H -2.560 7.694 -3.708 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT1 . . rr_1xxz 1
10 . 1630 . 1 1 6 IAM HT2 H -2.534 6.160 -4.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM HT2 . . rr_1xxz 1
10 . 1631 . 1 1 6 IAM N N 3.256 5.043 1.497 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM N . . rr_1xxz 1
10 . 1632 . 1 1 6 IAM NH N -1.357 7.655 -5.425 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM NH . . rr_1xxz 1
10 . 1633 . 1 1 6 IAM O O 0.522 6.790 1.849 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 IAM O . . rr_1xxz 1
10 . 1634 . 1 1 7 THR C C -1.454 3.124 1.719 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR C . . rr_1xxz 1
10 . 1635 . 1 1 7 THR CA C -1.130 4.593 1.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CA . . rr_1xxz 1
10 . 1636 . 1 1 7 THR CB C -2.055 5.232 0.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CB . . rr_1xxz 1
10 . 1637 . 1 1 7 THR CG2 C -2.170 4.398 -0.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR CG2 . . rr_1xxz 1
10 . 1638 . 1 1 7 THR H H 0.585 3.946 0.451 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR H . . rr_1xxz 1
10 . 1639 . 1 1 7 THR HA H -1.219 5.126 2.386 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HA . . rr_1xxz 1
10 . 1640 . 1 1 7 THR HB H -1.740 6.251 0.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HB . . rr_1xxz 1
10 . 1641 . 1 1 7 THR HG1 H -3.559 4.195 1.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG1 . . rr_1xxz 1
10 . 1642 . 1 1 7 THR HG21 H -3.144 4.568 -1.334 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG21 . . rr_1xxz 1
10 . 1643 . 1 1 7 THR HG22 H -1.385 4.689 -1.572 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG22 . . rr_1xxz 1
10 . 1644 . 1 1 7 THR HG23 H -2.065 3.340 -0.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR HG23 . . rr_1xxz 1
10 . 1645 . 1 1 7 THR N N 0.236 4.728 0.966 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR N . . rr_1xxz 1
10 . 1646 . 1 1 7 THR O O -0.570 2.345 2.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR O . . rr_1xxz 1
10 . 1647 . 1 1 7 THR OG1 O -3.350 5.145 0.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 THR OG1 . . rr_1xxz 1
10 . 1648 . 1 1 8 THR C C -2.240 0.418 1.110 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR C . . rr_1xxz 1
10 . 1649 . 1 1 8 THR CA C -3.177 1.427 1.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CA . . rr_1xxz 1
10 . 1650 . 1 1 8 THR CB C -4.574 1.305 1.102 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR CB . . rr_1xxz 1
10 . 1651 . 1 1 8 THR H H -3.437 3.427 1.259 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR H . . rr_1xxz 1
10 . 1652 . 1 1 8 THR HA H -3.250 1.165 2.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR HA . . rr_1xxz 1
10 . 1653 . 1 1 8 THR N N -2.724 2.788 1.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR N . . rr_1xxz 1
10 . 1654 . 1 1 8 THR O O -1.310 0.803 0.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 IYR O . . rr_1xxz 1
10 . 1655 . 1 1 9 SER C C -2.596 -2.911 0.030 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR C . . rr_1xxz 1
10 . 1656 . 1 1 9 SER CA C -1.711 -1.921 0.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CA . . rr_1xxz 1
10 . 1657 . 1 1 9 SER CB C -0.912 -2.566 1.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR CB . . rr_1xxz 1
10 . 1658 . 1 1 9 SER H H -3.276 -1.158 1.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR H . . rr_1xxz 1
10 . 1659 . 1 1 9 SER HA H -1.025 -1.483 0.063 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR HA . . rr_1xxz 1
10 . 1660 . 1 1 9 SER N N -2.518 -0.853 1.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR N . . rr_1xxz 1
10 . 1661 . 1 1 9 SER O O -3.806 -2.716 -0.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 9 THR O . . rr_1xxz 1
10 . 1662 . 1 1 10 CYS C C -2.992 -6.162 -0.316 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER C . . rr_1xxz 1
10 . 1663 . 1 1 10 CYS CA C -2.672 -4.975 -1.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CA . . rr_1xxz 1
10 . 1664 . 1 1 10 CYS CB C -1.850 -5.414 -2.465 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER CB . . rr_1xxz 1
10 . 1665 . 1 1 10 CYS H H -0.974 -4.105 -0.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER H . . rr_1xxz 1
10 . 1666 . 1 1 10 CYS HA H -3.639 -4.569 -1.576 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HA . . rr_1xxz 1
10 . 1667 . 1 1 10 CYS HB2 H -1.939 -4.649 -3.262 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB2 . . rr_1xxz 1
10 . 1668 . 1 1 10 CYS HB3 H -0.769 -5.457 -2.233 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER HB3 . . rr_1xxz 1
10 . 1669 . 1 1 10 CYS N N -1.958 -3.954 -0.481 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER N . . rr_1xxz 1
10 . 1670 . 1 1 10 CYS O O -4.158 -6.448 -0.049 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 10 SER O . . rr_1xxz 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_1xxz
_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 1xxz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1xxz 1
1 1xxz.mr . . DYANA/DIANA 2 distance NOE simple 143 rr_1xxz 1
1 1xxz.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1xxz 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1xxz
_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_1xxz 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 "peak 80" 3 49 3 59 rr_1xxz 1
2 "peak 590" 4 49 4 59 rr_1xxz 1
3 "peak 72" 5 49 5 59 rr_1xxz 1
4 "peak 73" 6 49 6 59 rr_1xxz 1
5 "peak 540" 7 49 7 59 rr_1xxz 1
6 "peak 64" 8 49 8 59 rr_1xxz 1
7 "peak 67" 9 49 9 59 rr_1xxz 1
8 "peak 257" 10 49 10 59 rr_1xxz 1
9 "peak 461" 11 49 11 59 rr_1xxz 1
10 "peak 256" 12 49 12 59 rr_1xxz 1
11 "peak 446" 13 49 13 59 rr_1xxz 1
12 "peak 567" 14 49 14 59 rr_1xxz 1
13 "peak 549" 15 49 15 59 rr_1xxz 1
14 "peak 255" 16 49 16 59 rr_1xxz 1
15 "peak 59" 17 49 17 59 rr_1xxz 1
16 "peak 60" 18 49 18 59 rr_1xxz 1
17 "peak 251" 19 49 19 59 rr_1xxz 1
18 "peak 216" 20 49 20 59 rr_1xxz 1
19 "peak 218" 21 49 21 59 rr_1xxz 1
20 "peak 174" 22 49 22 59 rr_1xxz 1
21 "peak 572" 23 49 23 59 rr_1xxz 1
22 "peak 224" 24 49 24 59 rr_1xxz 1
23 "peak 573" 25 49 25 59 rr_1xxz 1
24 "peak 212" 26 49 26 59 rr_1xxz 1
25 "peak 214" 27 49 27 59 rr_1xxz 1
26 "peak 226" 28 49 28 59 rr_1xxz 1
27 "peak 171" 29 49 29 59 rr_1xxz 1
28 "peak 215" 30 49 30 59 rr_1xxz 1
29 "peak 571" 31 49 31 59 rr_1xxz 1
30 "peak 363" 32 49 32 59 rr_1xxz 1
31 "peak 537" 33 49 33 59 rr_1xxz 1
32 "peak 221" 34 49 34 59 rr_1xxz 1
33 "peak 429" 35 49 35 59 rr_1xxz 1
34 "peak 472" 36 49 36 59 rr_1xxz 1
35 "peak 554" 37 49 37 59 rr_1xxz 1
36 "peak 430" 38 49 38 59 rr_1xxz 1
37 "peak 227" 39 49 39 59 rr_1xxz 1
38 "peak 513" 40 49 40 59 rr_1xxz 1
39 "peak 529" 41 49 41 59 rr_1xxz 1
40 "peak 97" 42 49 42 59 rr_1xxz 1
41 "peak 100" 43 49 43 59 rr_1xxz 1
42 "peak 263" 44 49 44 59 rr_1xxz 1
43 "peak 274" 45 49 45 59 rr_1xxz 1
44 "peak 275" 46 49 46 59 rr_1xxz 1
45 "peak 92" 47 49 47 59 rr_1xxz 1
46 "peak 93" 48 49 48 59 rr_1xxz 1
47 "peak 366" 49 49 49 59 rr_1xxz 1
48 "peak 369" 50 49 50 59 rr_1xxz 1
49 "peak 553" 51 49 51 59 rr_1xxz 1
50 "peak 410" 52 49 52 59 rr_1xxz 1
51 "peak 509" 53 49 53 59 rr_1xxz 1
52 "peak 574" 54 49 54 59 rr_1xxz 1
53 "peak 48" 55 49 55 59 rr_1xxz 1
54 "peak 51" 56 49 56 59 rr_1xxz 1
55 "peak 266" 57 49 57 59 rr_1xxz 1
56 "peak 575" 58 49 58 59 rr_1xxz 1
57 "peak 576" 59 49 59 59 rr_1xxz 1
58 "peak 577" 60 49 60 59 rr_1xxz 1
59 "peak 292" 61 49 61 59 rr_1xxz 1
60 "peak 521" 62 49 62 59 rr_1xxz 1
61 "peak 293" 63 49 63 59 rr_1xxz 1
62 "peak 440" 64 49 64 59 rr_1xxz 1
63 "peak 294" 65 49 65 59 rr_1xxz 1
64 "peak 438" 66 49 66 59 rr_1xxz 1
65 "peak 38" 67 49 67 59 rr_1xxz 1
66 "peak 40" 68 49 68 59 rr_1xxz 1
67 "peak 376" 69 49 69 59 rr_1xxz 1
68 "peak 368" 70 49 70 59 rr_1xxz 1
69 "peak 155" 71 49 71 59 rr_1xxz 1
70 "peak 159" 72 49 72 59 rr_1xxz 1
71 "peak 291" 73 49 73 59 rr_1xxz 1
72 "peak 580" 74 49 74 59 rr_1xxz 1
73 "peak 303" 75 49 75 59 rr_1xxz 1
74 "peak 581" 76 49 76 59 rr_1xxz 1
75 "peak 582" 77 49 77 59 rr_1xxz 1
76 "peak 301" 78 49 78 59 rr_1xxz 1
77 "peak 569" 79 49 79 59 rr_1xxz 1
78 "peak 345" 80 49 80 59 rr_1xxz 1
79 "peak 302" 81 49 81 59 rr_1xxz 1
80 "peak 568" 82 49 82 59 rr_1xxz 1
81 "peak 583" 83 49 83 59 rr_1xxz 1
82 "peak 150" 84 49 84 59 rr_1xxz 1
83 "peak 151" 85 49 85 59 rr_1xxz 1
84 "peak 519" 86 49 86 59 rr_1xxz 1
85 "peak 378" 87 49 87 59 rr_1xxz 1
86 "peak 579" 88 49 88 59 rr_1xxz 1
87 "peak 565" 89 49 89 59 rr_1xxz 1
88 "peak 118" 90 49 90 59 rr_1xxz 1
89 "peak 247" 91 49 91 59 rr_1xxz 1
90 "peak 584" 92 49 92 59 rr_1xxz 1
91 "peak 304" 93 49 93 59 rr_1xxz 1
92 "peak 460" 94 49 94 59 rr_1xxz 1
93 "peak 305" 95 49 95 59 rr_1xxz 1
94 "peak 306" 96 49 96 59 rr_1xxz 1
95 "peak 110" 97 49 97 59 rr_1xxz 1
96 "peak 111" 98 49 98 59 rr_1xxz 1
97 "peak 399" 99 49 99 59 rr_1xxz 1
98 "peak 374" 100 49 100 59 rr_1xxz 1
99 "peak 506" 101 49 101 59 rr_1xxz 1
100 "peak 441" 102 49 102 59 rr_1xxz 1
101 "peak 507" 103 49 103 59 rr_1xxz 1
102 "peak 405" 104 49 104 59 rr_1xxz 1
103 "peak 406" 105 49 105 59 rr_1xxz 1
104 "peak 541" 106 49 106 59 rr_1xxz 1
105 "peak 483" 107 49 107 59 rr_1xxz 1
106 "peak 18" 108 49 108 59 rr_1xxz 1
107 "peak 238" 109 49 109 59 rr_1xxz 1
108 "peak 488" 110 49 110 59 rr_1xxz 1
109 "peak 239" 111 49 111 59 rr_1xxz 1
110 "peak 9" 112 49 112 59 rr_1xxz 1
111 "peak 10" 113 49 113 59 rr_1xxz 1
112 "peak 11" 114 49 114 59 rr_1xxz 1
113 "peak 355" 115 49 115 59 rr_1xxz 1
114 "peak 539" 116 49 116 59 rr_1xxz 1
115 "peak 510" 117 49 117 59 rr_1xxz 1
116 "peak 433" 118 49 118 59 rr_1xxz 1
117 "peak 240" 119 49 119 59 rr_1xxz 1
118 "peak 487" 120 49 120 59 rr_1xxz 1
119 "peak 143" 121 49 121 59 rr_1xxz 1
120 "peak 317" 122 49 122 59 rr_1xxz 1
121 "peak 316" 123 49 123 59 rr_1xxz 1
122 "peak 315" 124 49 124 59 rr_1xxz 1
123 "peak 520" 125 49 125 59 rr_1xxz 1
124 "peak 443" 126 49 126 59 rr_1xxz 1
125 "peak 320" 127 49 127 59 rr_1xxz 1
126 "peak 314" 128 49 128 59 rr_1xxz 1
127 "peak 319" 129 49 129 59 rr_1xxz 1
128 "peak 318" 130 49 130 59 rr_1xxz 1
129 "peak 538" 131 49 131 59 rr_1xxz 1
130 "peak 512" 132 49 132 59 rr_1xxz 1
131 "peak 432" 133 49 133 59 rr_1xxz 1
132 "peak 127" 134 49 134 59 rr_1xxz 1
133 "peak 128" 135 49 135 59 rr_1xxz 1
134 "peak 361" 136 49 136 59 rr_1xxz 1
135 "peak 359" 137 49 137 59 rr_1xxz 1
136 "peak 357" 138 49 138 59 rr_1xxz 1
137 "peak 435" 139 49 139 59 rr_1xxz 1
138 "peak 232" 140 49 140 59 rr_1xxz 1
139 "peak 34" 141 49 141 59 rr_1xxz 1
140 "peak 233" 142 49 142 59 rr_1xxz 1
141 "peak 380" 143 49 143 59 rr_1xxz 1
142 "peak 27" 144 49 144 59 rr_1xxz 1
143 "peak 237" 145 49 145 59 rr_1xxz 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_constraintaint_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 . . 1 "Not handling restraint 1, item 1, resonance(s) ' .10.HA' (nmrStar names),' .10.HB2' (nmrStar names) not linked" rr_1xxz 1
2 . . 1 "Not handling restraint 2, item 1, resonance(s) ' .10.HB3' (nmrStar names),' .11.HN' (nmrStar names) not linked" rr_1xxz 1
3 . . 1 "Not handling restraint 3, item 1, resonance(s) ' .10.HB2' (nmrStar names),' .10.HN' (nmrStar names) not linked" rr_1xxz 1
4 . . 1 "Not handling restraint 4, item 1, resonance(s) ' .10.HB3' (nmrStar names),' .10.HN' (nmrStar names) not linked" rr_1xxz 1
5 . . 1 "Not handling restraint 5, item 1, resonance(s) ' .1.HA' (nmrStar names),' .11.HB2' (nmrStar names) not linked" rr_1xxz 1
6 . . 1 "Not handling restraint 6, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HB2' (nmrStar names) not linked" rr_1xxz 1
7 . . 1 "Not handling restraint 7, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HB3' (nmrStar names) not linked" rr_1xxz 1
8 . . 1 "Not handling restraint 8, item 1, resonance(s) ' .1.HA' (nmrStar names),' .2.HN' (nmrStar names) not linked" rr_1xxz 1
9 . . 1 "Not handling restraint 9, item 1, resonance(s) ' .1.HA' (nmrStar names),' .2.QG' (nmrStar names) not linked" rr_1xxz 1
10 . . 1 "Not handling restraint 10, item 1, resonance(s) ' .1.HB2' (nmrStar names),' .2.HN' (nmrStar names) not linked" rr_1xxz 1
11 . . 1 "Not handling restraint 11, item 1, resonance(s) ' .1.HB2' (nmrStar names),' .3.HN' (nmrStar names) not linked" rr_1xxz 1
12 . . 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HB3' (nmrStar names),' .11.HA' (nmrStar names) not linked" rr_1xxz 1
13 . . 1 "Not handling restraint 13, item 1, resonance(s) ' .11.HN' (nmrStar names),' .1.HB3' (nmrStar names) not linked" rr_1xxz 1
14 . . 1 "Not handling restraint 14, item 1, resonance(s) ' .1.HB3' (nmrStar names),' .2.HN' (nmrStar names) not linked" rr_1xxz 1
15 . . 1 "Not handling restraint 15, item 1, resonance(s) ' .1.HB2' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xxz 1
16 . . 1 "Not handling restraint 16, item 1, resonance(s) ' .1.HB3' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xxz 1
17 . . 1 "Not handling restraint 17, item 1, resonance(s) ' .2.HN' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xxz 1
18 . . 1 "Not handling restraint 18, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HD2' (nmrStar names) not linked" rr_1xxz 1
19 . . 1 "Not handling restraint 19, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HD3' (nmrStar names) not linked" rr_1xxz 1
20 . . 1 "Not handling restraint 20, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.QE' (nmrStar names) not linked" rr_1xxz 1
21 . . 1 "Not handling restraint 21, item 1, resonance(s) ' .2.HA' (nmrStar names),' .3.HA' (nmrStar names) not linked" rr_1xxz 1
22 . . 1 "Not handling restraint 22, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.HA' (nmrStar names) not linked" rr_1xxz 1
23 . . 1 "Not handling restraint 23, item 1, resonance(s) ' .2.HA' (nmrStar names),' .4.HN' (nmrStar names) not linked" rr_1xxz 1
24 . . 1 "Not handling restraint 24, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HD2' (nmrStar names) not linked" rr_1xxz 1
25 . . 1 "Not handling restraint 25, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HD3' (nmrStar names) not linked" rr_1xxz 1
26 . . 1 "Not handling restraint 26, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
27 . . 1 "Not handling restraint 27, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.QE' (nmrStar names) not linked" rr_1xxz 1
28 . . 1 "Not handling restraint 28, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.QG' (nmrStar names) not linked" rr_1xxz 1
29 . . 1 "Not handling restraint 29, item 1, resonance(s) ' .2.HN' (nmrStar names),' .3.HA' (nmrStar names) not linked" rr_1xxz 1
30 . . 1 "Not handling restraint 30, item 1, resonance(s) ' .2.HN' (nmrStar names),' .3.HN' (nmrStar names) not linked" rr_1xxz 1
31 . . 1 "Not handling restraint 31, item 1, resonance(s) ' .10.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
32 . . 1 "Not handling restraint 32, item 1, resonance(s) ' .2.QE' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
33 . . 1 "Not handling restraint 33, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
34 . . 1 "Not handling restraint 34, item 1, resonance(s) ' .2.QB' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
35 . . 1 "Not handling restraint 35, item 1, resonance(s) ' .2.QB' (nmrStar names),' .3.QE' (nmrStar names) not linked" rr_1xxz 1
36 . . 1 "Not handling restraint 36, item 1, resonance(s) ' .4.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
37 . . 1 "Not handling restraint 37, item 1, resonance(s) ' .2.QG' (nmrStar names),' .3.HN' (nmrStar names) not linked" rr_1xxz 1
38 . . 1 "Not handling restraint 38, item 1, resonance(s) ' .2.QG' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
39 . . 1 "Not handling restraint 39, item 1, resonance(s) ' .2.QG' (nmrStar names),' .4.HN' (nmrStar names) not linked" rr_1xxz 1
40 . . 1 "Not handling restraint 40, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xxz 1
41 . . 1 "Not handling restraint 41, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xxz 1
42 . . 1 "Not handling restraint 42, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
43 . . 1 "Not handling restraint 43, item 1, resonance(s) ' .4.HN' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xxz 1
44 . . 1 "Not handling restraint 44, item 1, resonance(s) ' .4.HN' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xxz 1
45 . . 1 "Not handling restraint 45, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xxz 1
46 . . 1 "Not handling restraint 46, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xxz 1
47 . . 1 "Not handling restraint 47, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
48 . . 1 "Not handling restraint 48, item 1, resonance(s) ' .3.HN' (nmrStar names),' .4.HN' (nmrStar names) not linked" rr_1xxz 1
49 . . 1 "Not handling restraint 49, item 1, resonance(s) ' .3.QD' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xxz 1
50 . . 1 "Not handling restraint 50, item 1, resonance(s) ' .4.HN' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
51 . . 1 "Not handling restraint 51, item 1, resonance(s) ' .3.QD' (nmrStar names),' .7.QG2' (nmrStar names) not linked" rr_1xxz 1
52 . . 1 "Not handling restraint 52, item 1, resonance(s) ' .10.HN' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xxz 1
53 . . 1 "Not handling restraint 53, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HB2' (nmrStar names) not linked" rr_1xxz 1
54 . . 1 "Not handling restraint 54, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xxz 1
55 . . 1 "Not handling restraint 55, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QD' (nmrStar names) not linked" rr_1xxz 1
56 . . 1 "Not handling restraint 56, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HA' (nmrStar names) not linked" rr_1xxz 1
57 . . 1 "Not handling restraint 57, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HB3' (nmrStar names) not linked" rr_1xxz 1
58 . . 1 "Not handling restraint 58, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xxz 1
59 . . 1 "Not handling restraint 59, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
60 . . 1 "Not handling restraint 60, item 1, resonance(s) ' .4.HA' (nmrStar names),' .7.QG2' (nmrStar names) not linked" rr_1xxz 1
61 . . 1 "Not handling restraint 61, item 1, resonance(s) ' .4.HB2' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
62 . . 1 "Not handling restraint 62, item 1, resonance(s) ' .4.HB3' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xxz 1
63 . . 1 "Not handling restraint 63, item 1, resonance(s) ' .4.HB3' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
64 . . 1 "Not handling restraint 64, item 1, resonance(s) ' .4.HB3' (nmrStar names),' .6.QD' (nmrStar names) not linked" rr_1xxz 1
65 . . 1 "Not handling restraint 65, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xxz 1
66 . . 1 "Not handling restraint 66, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xxz 1
67 . . 1 "Not handling restraint 67, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QD' (nmrStar names) not linked" rr_1xxz 1
68 . . 1 "Not handling restraint 68, item 1, resonance(s) ' .4.HN' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
69 . . 1 "Not handling restraint 69, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.HB2' (nmrStar names) not linked" rr_1xxz 1
70 . . 1 "Not handling restraint 70, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.HB3' (nmrStar names) not linked" rr_1xxz 1
71 . . 1 "Not handling restraint 71, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.HE3' (nmrStar names) not linked" rr_1xxz 1
72 . . 1 "Not handling restraint 72, item 1, resonance(s) ' .5.HA' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xxz 1
73 . . 1 "Not handling restraint 73, item 1, resonance(s) ' .5.HA' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
74 . . 1 "Not handling restraint 74, item 1, resonance(s) ' .5.HA' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
75 . . 1 "Not handling restraint 75, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xxz 1
76 . . 1 "Not handling restraint 76, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
77 . . 1 "Not handling restraint 77, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
78 . . 1 "Not handling restraint 78, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xxz 1
79 . . 1 "Not handling restraint 79, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
80 . . 1 "Not handling restraint 80, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
81 . . 1 "Not handling restraint 81, item 1, resonance(s) ' .5.HE3' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
82 . . 1 "Not handling restraint 82, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.HB2' (nmrStar names) not linked" rr_1xxz 1
83 . . 1 "Not handling restraint 83, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
84 . . 1 "Not handling restraint 84, item 1, resonance(s) ' .5.HD1' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
85 . . 1 "Not handling restraint 85, item 1, resonance(s) ' .5.HN' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
86 . . 1 "Not handling restraint 86, item 1, resonance(s) ' .5.HN' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
87 . . 1 "Not handling restraint 87, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
88 . . 1 "Not handling restraint 88, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HB2' (nmrStar names) not linked" rr_1xxz 1
89 . . 1 "Not handling restraint 89, item 1, resonance(s) ' .6.QD' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xxz 1
90 . . 1 "Not handling restraint 90, item 1, resonance(s) ' .6.HA' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
91 . . 1 "Not handling restraint 91, item 1, resonance(s) ' .6.HA' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
92 . . 1 "Not handling restraint 92, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xxz 1
93 . . 1 "Not handling restraint 93, item 1, resonance(s) ' .7.HN' (nmrStar names),' .6.HB2' (nmrStar names) not linked" rr_1xxz 1
94 . . 1 "Not handling restraint 94, item 1, resonance(s) ' .7.HN' (nmrStar names),' .6.HB3' (nmrStar names) not linked" rr_1xxz 1
95 . . 1 "Not handling restraint 95, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HB2' (nmrStar names) not linked" rr_1xxz 1
96 . . 1 "Not handling restraint 96, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HB3' (nmrStar names) not linked" rr_1xxz 1
97 . . 1 "Not handling restraint 97, item 1, resonance(s) ' .6.QD' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
98 . . 1 "Not handling restraint 98, item 1, resonance(s) ' .6.HN' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
99 . . 1 "Not handling restraint 99, item 1, resonance(s) ' .6.QD' (nmrStar names),' .6.QK' (nmrStar names) not linked" rr_1xxz 1
100 . . 1 "Not handling restraint 100, item 1, resonance(s) ' .6.QD' (nmrStar names),' .8.HB3' (nmrStar names) not linked" rr_1xxz 1
101 . . 1 "Not handling restraint 101, item 1, resonance(s) ' .6.QD' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xxz 1
102 . . 1 "Not handling restraint 102, item 1, resonance(s) ' .6.QE' (nmrStar names),' .6.HI' (nmrStar names) not linked" rr_1xxz 1
103 . . 1 "Not handling restraint 103, item 1, resonance(s) ' .6.QK' (nmrStar names),' .6.QE' (nmrStar names) not linked" rr_1xxz 1
104 . . 1 "Not handling restraint 104, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .6.QE' (nmrStar names) not linked" rr_1xxz 1
105 . . 1 "Not handling restraint 105, item 1, resonance(s) ' .6.QK' (nmrStar names),' .6.QT' (nmrStar names) not linked" rr_1xxz 1
106 . . 1 "Not handling restraint 106, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
107 . . 1 "Not handling restraint 107, item 1, resonance(s) ' .7.HA' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
108 . . 1 "Not handling restraint 108, item 1, resonance(s) ' .7.HA' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xxz 1
109 . . 1 "Not handling restraint 109, item 1, resonance(s) ' .8.HN' (nmrStar names),' .7.HB' (nmrStar names) not linked" rr_1xxz 1
110 . . 1 "Not handling restraint 110, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
111 . . 1 "Not handling restraint 111, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB' (nmrStar names) not linked" rr_1xxz 1
112 . . 1 "Not handling restraint 112, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
113 . . 1 "Not handling restraint 113, item 1, resonance(s) ' .7.HN' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
114 . . 1 "Not handling restraint 114, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HB3' (nmrStar names) not linked" rr_1xxz 1
115 . . 1 "Not handling restraint 115, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xxz 1
116 . . 1 "Not handling restraint 116, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xxz 1
117 . . 1 "Not handling restraint 117, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
118 . . 1 "Not handling restraint 118, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .9.HA' (nmrStar names) not linked" rr_1xxz 1
119 . . 1 "Not handling restraint 119, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xxz 1
120 . . 1 "Not handling restraint 120, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xxz 1
121 . . 1 "Not handling restraint 121, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xxz 1
122 . . 1 "Not handling restraint 122, item 1, resonance(s) ' .8.HA' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xxz 1
123 . . 1 "Not handling restraint 123, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xxz 1
124 . . 1 "Not handling restraint 124, item 1, resonance(s) ' .10.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xxz 1
125 . . 1 "Not handling restraint 125, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xxz 1
126 . . 1 "Not handling restraint 126, item 1, resonance(s) ' .9.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xxz 1
127 . . 1 "Not handling restraint 127, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xxz 1
128 . . 1 "Not handling restraint 128, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xxz 1
129 . . 1 "Not handling restraint 129, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xxz 1
130 . . 1 "Not handling restraint 130, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xxz 1
131 . . 1 "Not handling restraint 131, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xxz 1
132 . . 1 "Not handling restraint 132, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xxz 1
133 . . 1 "Not handling restraint 133, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
134 . . 1 "Not handling restraint 134, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xxz 1
135 . . 1 "Not handling restraint 135, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xxz 1
136 . . 1 "Not handling restraint 136, item 1, resonance(s) ' .8.HN' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xxz 1
137 . . 1 "Not handling restraint 137, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
138 . . 1 "Not handling restraint 138, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.HA' (nmrStar names) not linked" rr_1xxz 1
139 . . 1 "Not handling restraint 139, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .9.HA' (nmrStar names) not linked" rr_1xxz 1
140 . . 1 "Not handling restraint 140, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.HB' (nmrStar names) not linked" rr_1xxz 1
141 . . 1 "Not handling restraint 141, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xxz 1
142 . . 1 "Not handling restraint 142, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xxz 1
143 . . 1 "Not handling restraint 143, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xxz 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1xxz
_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_1xxz 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 "peak 80" 3 49 3 59 rr_1xxz 1
2 "peak 590" 4 49 4 59 rr_1xxz 1
3 "peak 72" 5 49 5 59 rr_1xxz 1
4 "peak 73" 6 49 6 59 rr_1xxz 1
5 "peak 540" 7 49 7 59 rr_1xxz 1
6 "peak 64" 8 49 8 59 rr_1xxz 1
7 "peak 67" 9 49 9 59 rr_1xxz 1
8 "peak 257" 10 49 10 59 rr_1xxz 1
9 "peak 461" 11 49 11 59 rr_1xxz 1
10 "peak 256" 12 49 12 59 rr_1xxz 1
11 "peak 446" 13 49 13 59 rr_1xxz 1
12 "peak 567" 14 49 14 59 rr_1xxz 1
13 "peak 549" 15 49 15 59 rr_1xxz 1
14 "peak 255" 16 49 16 59 rr_1xxz 1
15 "peak 59" 17 49 17 59 rr_1xxz 1
16 "peak 60" 18 49 18 59 rr_1xxz 1
17 "peak 251" 19 49 19 59 rr_1xxz 1
18 "peak 216" 20 49 20 59 rr_1xxz 1
19 "peak 218" 21 49 21 59 rr_1xxz 1
20 "peak 174" 22 49 22 59 rr_1xxz 1
21 "peak 572" 23 49 23 59 rr_1xxz 1
22 "peak 224" 24 49 24 59 rr_1xxz 1
23 "peak 573" 25 49 25 59 rr_1xxz 1
24 "peak 212" 26 49 26 59 rr_1xxz 1
25 "peak 214" 27 49 27 59 rr_1xxz 1
26 "peak 226" 28 49 28 59 rr_1xxz 1
27 "peak 171" 29 49 29 59 rr_1xxz 1
28 "peak 215" 30 49 30 59 rr_1xxz 1
29 "peak 571" 31 49 31 59 rr_1xxz 1
30 "peak 363" 32 49 32 59 rr_1xxz 1
31 "peak 537" 33 49 33 59 rr_1xxz 1
32 "peak 221" 34 49 34 59 rr_1xxz 1
33 "peak 429" 35 49 35 59 rr_1xxz 1
34 "peak 472" 36 49 36 59 rr_1xxz 1
35 "peak 554" 37 49 37 59 rr_1xxz 1
36 "peak 430" 38 49 38 59 rr_1xxz 1
37 "peak 227" 39 49 39 59 rr_1xxz 1
38 "peak 513" 40 49 40 59 rr_1xxz 1
39 "peak 529" 41 49 41 59 rr_1xxz 1
40 "peak 97" 42 49 42 59 rr_1xxz 1
41 "peak 100" 43 49 43 59 rr_1xxz 1
42 "peak 263" 44 49 44 59 rr_1xxz 1
43 "peak 274" 45 49 45 59 rr_1xxz 1
44 "peak 275" 46 49 46 59 rr_1xxz 1
45 "peak 92" 47 49 47 59 rr_1xxz 1
46 "peak 93" 48 49 48 59 rr_1xxz 1
47 "peak 366" 49 49 49 59 rr_1xxz 1
48 "peak 369" 50 49 50 59 rr_1xxz 1
49 "peak 553" 51 49 51 59 rr_1xxz 1
50 "peak 410" 52 49 52 59 rr_1xxz 1
51 "peak 509" 53 49 53 59 rr_1xxz 1
52 "peak 574" 54 49 54 59 rr_1xxz 1
53 "peak 48" 55 49 55 59 rr_1xxz 1
54 "peak 51" 56 49 56 59 rr_1xxz 1
55 "peak 266" 57 49 57 59 rr_1xxz 1
56 "peak 575" 58 49 58 59 rr_1xxz 1
57 "peak 576" 59 49 59 59 rr_1xxz 1
58 "peak 577" 60 49 60 59 rr_1xxz 1
59 "peak 292" 61 49 61 59 rr_1xxz 1
60 "peak 521" 62 49 62 59 rr_1xxz 1
61 "peak 293" 63 49 63 59 rr_1xxz 1
62 "peak 440" 64 49 64 59 rr_1xxz 1
63 "peak 294" 65 49 65 59 rr_1xxz 1
64 "peak 438" 66 49 66 59 rr_1xxz 1
65 "peak 38" 67 49 67 59 rr_1xxz 1
66 "peak 40" 68 49 68 59 rr_1xxz 1
67 "peak 376" 69 49 69 59 rr_1xxz 1
68 "peak 368" 70 49 70 59 rr_1xxz 1
69 "peak 155" 71 49 71 59 rr_1xxz 1
70 "peak 159" 72 49 72 59 rr_1xxz 1
71 "peak 291" 73 49 73 59 rr_1xxz 1
72 "peak 580" 74 49 74 59 rr_1xxz 1
73 "peak 303" 75 49 75 59 rr_1xxz 1
74 "peak 581" 76 49 76 59 rr_1xxz 1
75 "peak 582" 77 49 77 59 rr_1xxz 1
76 "peak 301" 78 49 78 59 rr_1xxz 1
77 "peak 569" 79 49 79 59 rr_1xxz 1
78 "peak 345" 80 49 80 59 rr_1xxz 1
79 "peak 302" 81 49 81 59 rr_1xxz 1
80 "peak 568" 82 49 82 59 rr_1xxz 1
81 "peak 583" 83 49 83 59 rr_1xxz 1
82 "peak 150" 84 49 84 59 rr_1xxz 1
83 "peak 151" 85 49 85 59 rr_1xxz 1
84 "peak 519" 86 49 86 59 rr_1xxz 1
85 "peak 378" 87 49 87 59 rr_1xxz 1
86 "peak 579" 88 49 88 59 rr_1xxz 1
87 "peak 565" 89 49 89 59 rr_1xxz 1
88 "peak 118" 90 49 90 59 rr_1xxz 1
89 "peak 247" 91 49 91 59 rr_1xxz 1
90 "peak 584" 92 49 92 59 rr_1xxz 1
91 "peak 304" 93 49 93 59 rr_1xxz 1
92 "peak 460" 94 49 94 59 rr_1xxz 1
93 "peak 305" 95 49 95 59 rr_1xxz 1
94 "peak 306" 96 49 96 59 rr_1xxz 1
95 "peak 110" 97 49 97 59 rr_1xxz 1
96 "peak 111" 98 49 98 59 rr_1xxz 1
97 "peak 399" 99 49 99 59 rr_1xxz 1
98 "peak 374" 100 49 100 59 rr_1xxz 1
99 "peak 506" 101 49 101 59 rr_1xxz 1
100 "peak 441" 102 49 102 59 rr_1xxz 1
101 "peak 507" 103 49 103 59 rr_1xxz 1
102 "peak 405" 104 49 104 59 rr_1xxz 1
103 "peak 406" 105 49 105 59 rr_1xxz 1
104 "peak 541" 106 49 106 59 rr_1xxz 1
105 "peak 483" 107 49 107 59 rr_1xxz 1
106 "peak 18" 108 49 108 59 rr_1xxz 1
107 "peak 238" 109 49 109 59 rr_1xxz 1
108 "peak 488" 110 49 110 59 rr_1xxz 1
109 "peak 239" 111 49 111 59 rr_1xxz 1
110 "peak 9" 112 49 112 59 rr_1xxz 1
111 "peak 10" 113 49 113 59 rr_1xxz 1
112 "peak 11" 114 49 114 59 rr_1xxz 1
113 "peak 355" 115 49 115 59 rr_1xxz 1
114 "peak 539" 116 49 116 59 rr_1xxz 1
115 "peak 510" 117 49 117 59 rr_1xxz 1
116 "peak 433" 118 49 118 59 rr_1xxz 1
117 "peak 240" 119 49 119 59 rr_1xxz 1
118 "peak 487" 120 49 120 59 rr_1xxz 1
119 "peak 143" 121 49 121 59 rr_1xxz 1
120 "peak 317" 122 49 122 59 rr_1xxz 1
121 "peak 316" 123 49 123 59 rr_1xxz 1
122 "peak 315" 124 49 124 59 rr_1xxz 1
123 "peak 520" 125 49 125 59 rr_1xxz 1
124 "peak 443" 126 49 126 59 rr_1xxz 1
125 "peak 320" 127 49 127 59 rr_1xxz 1
126 "peak 314" 128 49 128 59 rr_1xxz 1
127 "peak 319" 129 49 129 59 rr_1xxz 1
128 "peak 318" 130 49 130 59 rr_1xxz 1
129 "peak 538" 131 49 131 59 rr_1xxz 1
130 "peak 512" 132 49 132 59 rr_1xxz 1
131 "peak 432" 133 49 133 59 rr_1xxz 1
132 "peak 127" 134 49 134 59 rr_1xxz 1
133 "peak 128" 135 49 135 59 rr_1xxz 1
134 "peak 361" 136 49 136 59 rr_1xxz 1
135 "peak 359" 137 49 137 59 rr_1xxz 1
136 "peak 357" 138 49 138 59 rr_1xxz 1
137 "peak 435" 139 49 139 59 rr_1xxz 1
138 "peak 232" 140 49 140 59 rr_1xxz 1
139 "peak 34" 141 49 141 59 rr_1xxz 1
140 "peak 233" 142 49 142 59 rr_1xxz 1
141 "peak 380" 143 49 143 59 rr_1xxz 1
142 "peak 27" 144 49 144 59 rr_1xxz 1
143 "peak 237" 145 49 145 59 rr_1xxz 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) ' .10.HA' (nmrStar names),' .10.HB2' (nmrStar names) not linked" rr_1xxz 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .10.HB3' (nmrStar names),' .11.HN' (nmrStar names) not linked" rr_1xxz 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .10.HB2' (nmrStar names),' .10.HN' (nmrStar names) not linked" rr_1xxz 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .10.HB3' (nmrStar names),' .10.HN' (nmrStar names) not linked" rr_1xxz 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .1.HA' (nmrStar names),' .11.HB2' (nmrStar names) not linked" rr_1xxz 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HB2' (nmrStar names) not linked" rr_1xxz 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .1.HA' (nmrStar names),' .1.HB3' (nmrStar names) not linked" rr_1xxz 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .1.HA' (nmrStar names),' .2.HN' (nmrStar names) not linked" rr_1xxz 1
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .1.HA' (nmrStar names),' .2.QG' (nmrStar names) not linked" rr_1xxz 1
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .1.HB2' (nmrStar names),' .2.HN' (nmrStar names) not linked" rr_1xxz 1
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .1.HB2' (nmrStar names),' .3.HN' (nmrStar names) not linked" rr_1xxz 1
12 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .1.HB3' (nmrStar names),' .11.HA' (nmrStar names) not linked" rr_1xxz 1
13 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .11.HN' (nmrStar names),' .1.HB3' (nmrStar names) not linked" rr_1xxz 1
14 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .1.HB3' (nmrStar names),' .2.HN' (nmrStar names) not linked" rr_1xxz 1
15 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .1.HB2' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xxz 1
16 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .1.HB3' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xxz 1
17 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .2.HN' (nmrStar names),' .1.HN' (nmrStar names) not linked" rr_1xxz 1
18 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HD2' (nmrStar names) not linked" rr_1xxz 1
19 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HD3' (nmrStar names) not linked" rr_1xxz 1
20 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.QE' (nmrStar names) not linked" rr_1xxz 1
21 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .2.HA' (nmrStar names),' .3.HA' (nmrStar names) not linked" rr_1xxz 1
22 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.HA' (nmrStar names) not linked" rr_1xxz 1
23 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .2.HA' (nmrStar names),' .4.HN' (nmrStar names) not linked" rr_1xxz 1
24 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HD2' (nmrStar names) not linked" rr_1xxz 1
25 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HD3' (nmrStar names) not linked" rr_1xxz 1
26 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
27 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.QE' (nmrStar names) not linked" rr_1xxz 1
28 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.QG' (nmrStar names) not linked" rr_1xxz 1
29 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .2.HN' (nmrStar names),' .3.HA' (nmrStar names) not linked" rr_1xxz 1
30 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .2.HN' (nmrStar names),' .3.HN' (nmrStar names) not linked" rr_1xxz 1
31 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .10.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
32 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .2.QE' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
33 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .3.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
34 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .2.QB' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
35 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .2.QB' (nmrStar names),' .3.QE' (nmrStar names) not linked" rr_1xxz 1
36 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .4.HN' (nmrStar names),' .2.QB' (nmrStar names) not linked" rr_1xxz 1
37 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .2.QG' (nmrStar names),' .3.HN' (nmrStar names) not linked" rr_1xxz 1
38 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .2.QG' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
39 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .2.QG' (nmrStar names),' .4.HN' (nmrStar names) not linked" rr_1xxz 1
40 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xxz 1
41 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xxz 1
42 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .3.HA' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
43 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .4.HN' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xxz 1
44 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .4.HN' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xxz 1
45 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB2' (nmrStar names) not linked" rr_1xxz 1
46 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HB3' (nmrStar names) not linked" rr_1xxz 1
47 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
48 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .3.HN' (nmrStar names),' .4.HN' (nmrStar names) not linked" rr_1xxz 1
49 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .3.QD' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xxz 1
50 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .4.HN' (nmrStar names),' .3.QD' (nmrStar names) not linked" rr_1xxz 1
51 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .3.QD' (nmrStar names),' .7.QG2' (nmrStar names) not linked" rr_1xxz 1
52 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .10.HN' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xxz 1
53 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HB2' (nmrStar names) not linked" rr_1xxz 1
54 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xxz 1
55 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QD' (nmrStar names) not linked" rr_1xxz 1
56 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HA' (nmrStar names) not linked" rr_1xxz 1
57 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HB3' (nmrStar names) not linked" rr_1xxz 1
58 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xxz 1
59 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
60 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .4.HA' (nmrStar names),' .7.QG2' (nmrStar names) not linked" rr_1xxz 1
61 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .4.HB2' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
62 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .4.HB3' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xxz 1
63 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .4.HB3' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
64 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .4.HB3' (nmrStar names),' .6.QD' (nmrStar names) not linked" rr_1xxz 1
65 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_1xxz 1
66 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.HB3' (nmrStar names) not linked" rr_1xxz 1
67 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QD' (nmrStar names) not linked" rr_1xxz 1
68 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .4.HN' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
69 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.HB2' (nmrStar names) not linked" rr_1xxz 1
70 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.HB3' (nmrStar names) not linked" rr_1xxz 1
71 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.HE3' (nmrStar names) not linked" rr_1xxz 1
72 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .5.HA' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xxz 1
73 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .5.HA' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
74 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .5.HA' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
75 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xxz 1
76 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
77 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
78 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .5.HD1' (nmrStar names) not linked" rr_1xxz 1
79 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
80 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
81 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .5.HE3' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
82 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .5.HN' (nmrStar names),' .5.HB2' (nmrStar names) not linked" rr_1xxz 1
83 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .5.HB3' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
84 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .5.HD1' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
85 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .5.HN' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
86 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .5.HN' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
87 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .5.HN' (nmrStar names) not linked" rr_1xxz 1
88 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HB2' (nmrStar names) not linked" rr_1xxz 1
89 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .6.QD' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xxz 1
90 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .6.HA' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
91 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .6.HA' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
92 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .6.HA' (nmrStar names) not linked" rr_1xxz 1
93 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .7.HN' (nmrStar names),' .6.HB2' (nmrStar names) not linked" rr_1xxz 1
94 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .7.HN' (nmrStar names),' .6.HB3' (nmrStar names) not linked" rr_1xxz 1
95 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HB2' (nmrStar names) not linked" rr_1xxz 1
96 2 96 1 "Not handling restraint 96, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HB3' (nmrStar names) not linked" rr_1xxz 1
97 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .6.QD' (nmrStar names),' .6.HN' (nmrStar names) not linked" rr_1xxz 1
98 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .6.HN' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
99 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .6.QD' (nmrStar names),' .6.QK' (nmrStar names) not linked" rr_1xxz 1
100 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .6.QD' (nmrStar names),' .8.HB3' (nmrStar names) not linked" rr_1xxz 1
101 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .6.QD' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xxz 1
102 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .6.QE' (nmrStar names),' .6.HI' (nmrStar names) not linked" rr_1xxz 1
103 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .6.QK' (nmrStar names),' .6.QE' (nmrStar names) not linked" rr_1xxz 1
104 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .6.QE' (nmrStar names) not linked" rr_1xxz 1
105 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .6.QK' (nmrStar names),' .6.QT' (nmrStar names) not linked" rr_1xxz 1
106 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
107 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .7.HA' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
108 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .7.HA' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xxz 1
109 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .8.HN' (nmrStar names),' .7.HB' (nmrStar names) not linked" rr_1xxz 1
110 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HA' (nmrStar names) not linked" rr_1xxz 1
111 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .7.HN' (nmrStar names),' .7.HB' (nmrStar names) not linked" rr_1xxz 1
112 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .7.HN' (nmrStar names) not linked" rr_1xxz 1
113 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .7.HN' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
114 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HB3' (nmrStar names) not linked" rr_1xxz 1
115 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xxz 1
116 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xxz 1
117 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
118 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .7.QG2' (nmrStar names),' .9.HA' (nmrStar names) not linked" rr_1xxz 1
119 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xxz 1
120 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xxz 1
121 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xxz 1
122 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .8.HA' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xxz 1
123 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .8.HA' (nmrStar names) not linked" rr_1xxz 1
124 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .10.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xxz 1
125 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xxz 1
126 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .9.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xxz 1
127 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xxz 1
128 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xxz 1
129 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xxz 1
130 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xxz 1
131 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xxz 1
132 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" rr_1xxz 1
133 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .8.HB3' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
134 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HD1' (nmrStar names) not linked" rr_1xxz 1
135 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HD2' (nmrStar names) not linked" rr_1xxz 1
136 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .8.HN' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xxz 1
137 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .8.HN' (nmrStar names) not linked" rr_1xxz 1
138 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.HA' (nmrStar names) not linked" rr_1xxz 1
139 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .9.HA' (nmrStar names) not linked" rr_1xxz 1
140 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.HB' (nmrStar names) not linked" rr_1xxz 1
141 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xxz 1
142 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .9.QG2' (nmrStar names),' .9.HN' (nmrStar names) not linked" rr_1xxz 1
143 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .10.HN' (nmrStar names),' .9.QG2' (nmrStar names) not linked" rr_1xxz 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1xxz
_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 HORMONE/GROWTH FACTOR 09-NOV-04 1XXZ *TITLE SOLUTION STRUCTURE OF SST1-SELECTIVE SOMATOSTATIN (SRIF) *TITLE 2 ANALOG *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SST1-SELECTIVE SOMATOSATIN (ANALOG 5); *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: SRIF; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: PEPTIDE SYNTHESISED USING SOLID PHASE *SOURCE 4 APPROACH EITHER MANUALLY OR ON A CS-BIOPEPTIDE SYNTHESIZER *SOURCE 5 MODEL CS536 *KEYWDS GAMMA TURN *EXPDTA NMR, 10 STRUCTURES *AUTHOR C.R.R.GRACE, L.DURRER, S.C.KOERBER, J.ERCHEGYI, J.C.REUBI, *AUTHOR 2 J.E.RIVIER, R.RIEK *REVDAT 1 15-FEB-05 1XXZ 0 "
save_
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