NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
606921 |
2ndm   |
26065 | cing | 3-converted-DOCR | STAR | entry | full | 115 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2ndm
# This DOCR archive file contains, for PDB entry <2ndm>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2ndm
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2ndm"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2ndm"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2ndm "Master copy" rr_2ndm
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2ndm
_Assembly.ID 1
_Assembly.Name 2ndm
_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 1483.6527
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 "PawS derived peptide 21" 1 $PawS_derived_peptide_21 A . no . . . . . . rr_2ndm 1
stop_
save_
save_PawS_derived_peptide_21
_Entity.Sf_category entity
_Entity.Sf_framecode PawS_derived_peptide_21
_Entity.Entry_ID rr_2ndm
_Entity.ID 1
_Entity.Name PawS_derived_peptide_21
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code GRPCYTLQSCFPD
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 13
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1483.6527
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . rr_2ndm 1
2 . ARG . rr_2ndm 1
3 . PRO . rr_2ndm 1
4 . CYS . rr_2ndm 1
5 . TYR . rr_2ndm 1
6 . THR . rr_2ndm 1
7 . LEU . rr_2ndm 1
8 . GLN . rr_2ndm 1
9 . SER . rr_2ndm 1
10 . CYS . rr_2ndm 1
11 . PHE . rr_2ndm 1
12 . PRO . rr_2ndm 1
13 . ASP . rr_2ndm 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 rr_2ndm 1
. ARG 2 2 rr_2ndm 1
. PRO 3 3 rr_2ndm 1
. CYS 4 4 rr_2ndm 1
. TYR 5 5 rr_2ndm 1
. THR 6 6 rr_2ndm 1
. LEU 7 7 rr_2ndm 1
. GLN 8 8 rr_2ndm 1
. SER 9 9 rr_2ndm 1
. CYS 10 10 rr_2ndm 1
. PHE 11 11 rr_2ndm 1
. PRO 12 12 rr_2ndm 1
. ASP 13 13 rr_2ndm 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2ndm
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 20
save_
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_2ndm
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_2ndm 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_2ndm 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 GLY C C 9.150 -1.241 -0.436 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 1 . 2 . 1 1 1 GLY CA C 9.965 -0.017 -0.071 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 1 . 3 . 1 1 1 GLY H1 H 9.512 2.009 0.348 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 1 . 4 . 1 1 1 GLY HA2 H 10.560 0.275 -0.924 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 1 . 5 . 1 1 1 GLY HA3 H 10.626 -0.270 0.746 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 1 . 6 . 1 1 1 GLY N N 9.135 1.104 0.330 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 1 . 7 . 1 1 1 GLY O O 9.198 -1.710 -1.574 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 1 . 8 . 1 1 2 ARG C C 6.185 -2.545 -0.188 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 1 . 9 . 1 1 2 ARG CA C 7.574 -2.941 0.304 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 1 . 10 . 1 1 2 ARG CB C 7.456 -3.762 1.590 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 1 . 11 . 1 1 2 ARG CD C 8.476 -6.007 1.108 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 1 . 12 . 1 1 2 ARG CG C 8.640 -4.682 1.835 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 1 . 13 . 1 1 2 ARG CZ C 10.655 -7.063 1.530 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 1 . 14 . 1 1 2 ARG H H 8.405 -1.343 1.417 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 1 . 15 . 1 1 2 ARG HA H 8.053 -3.542 -0.453 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 1 . 16 . 1 1 2 ARG HB2 H 7.374 -3.086 2.428 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 1 . 17 . 1 1 2 ARG HB3 H 6.563 -4.365 1.536 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 1 . 18 . 1 1 2 ARG HD2 H 7.446 -6.322 1.189 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 1 . 19 . 1 1 2 ARG HD3 H 8.728 -5.866 0.067 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 1 . 20 . 1 1 2 ARG HE H 8.903 -7.772 2.167 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 1 . 21 . 1 1 2 ARG HG2 H 9.540 -4.200 1.481 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 1 . 22 . 1 1 2 ARG HG3 H 8.724 -4.871 2.895 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 1 . 23 . 1 1 2 ARG HH11 H 10.732 -5.356 0.454 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 1 . 24 . 1 1 2 ARG HH12 H 12.262 -6.109 0.759 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 1 . 25 . 1 1 2 ARG HH21 H 10.911 -8.774 2.575 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 1 . 26 . 1 1 2 ARG HH22 H 12.362 -8.055 1.965 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 1 . 27 . 1 1 2 ARG N N 8.401 -1.762 0.530 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 1 . 28 . 1 1 2 ARG NE N 9.334 -7.049 1.666 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 1 . 29 . 1 1 2 ARG NH1 N 11.267 -6.097 0.859 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 1 . 30 . 1 1 2 ARG NH2 N 11.368 -8.045 2.067 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 1 . 31 . 1 1 2 ARG O O 5.731 -1.416 0.001 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 1 . 32 . 1 1 3 PRO C C 3.104 -3.121 -0.265 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 1 . 33 . 1 1 3 PRO CA C 4.146 -3.268 -1.368 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 1 . 34 . 1 1 3 PRO CB C 3.876 -4.526 -2.196 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 1 . 35 . 1 1 3 PRO CD C 5.972 -4.861 -1.097 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 1 . 36 . 1 1 3 PRO CG C 4.741 -5.574 -1.586 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 1 . 37 . 1 1 3 PRO HA H 4.114 -2.398 -2.009 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 1 . 38 . 1 1 3 PRO HB2 H 2.829 -4.787 -2.128 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 1 . 39 . 1 1 3 PRO HB3 H 4.141 -4.346 -3.227 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 1 . 40 . 1 1 3 PRO HD2 H 6.339 -5.322 -0.192 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 1 . 41 . 1 1 3 PRO HD3 H 6.736 -4.862 -1.859 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 1 . 42 . 1 1 3 PRO HG2 H 4.226 -6.042 -0.761 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 1 . 43 . 1 1 3 PRO HG3 H 5.006 -6.310 -2.331 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 1 . 44 . 1 1 3 PRO N N 5.493 -3.493 -0.836 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 1 . 45 . 1 1 3 PRO O O 3.007 -3.964 0.628 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 1 . 46 . 1 1 4 CYS C C -0.092 -1.743 0.007 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 1 . 47 . 1 1 4 CYS CA C 1.287 -1.792 0.660 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 1 . 48 . 1 1 4 CYS CB C 1.564 -0.477 1.390 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 1 . 49 . 1 1 4 CYS H H 2.447 -1.412 -1.069 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 1 . 50 . 1 1 4 CYS HA H 1.304 -2.601 1.375 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 1 . 51 . 1 1 4 CYS HB2 H 2.629 -0.290 1.386 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 1 . 52 . 1 1 4 CYS HB3 H 1.062 0.327 0.872 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 1 . 53 . 1 1 4 CYS N N 2.323 -2.048 -0.333 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 1 . 54 . 1 1 4 CYS O O -0.456 -0.751 -0.625 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 1 . 55 . 1 1 4 CYS SG S 1.004 -0.455 3.123 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 1 . 56 . 1 1 5 TYR C C -3.242 -3.090 0.680 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 1 . 57 . 1 1 5 TYR CA C -2.191 -2.900 -0.409 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 1 . 58 . 1 1 5 TYR CB C -2.268 -4.052 -1.414 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 1 . 59 . 1 1 5 TYR CD1 C -0.828 -2.880 -3.126 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 1 . 60 . 1 1 5 TYR CD2 C -0.421 -5.190 -2.706 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 1 . 61 . 1 1 5 TYR CE1 C 0.191 -2.866 -4.060 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 1 . 62 . 1 1 5 TYR CE2 C 0.600 -5.186 -3.635 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 1 . 63 . 1 1 5 TYR CG C -1.152 -4.041 -2.434 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 1 . 64 . 1 1 5 TYR CZ C 0.903 -4.020 -4.311 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 1 . 65 . 1 1 5 TYR H H -0.509 -3.578 0.680 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 1 . 66 . 1 1 5 TYR HA H -2.388 -1.972 -0.926 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 1 . 67 . 1 1 5 TYR HB2 H -2.221 -4.989 -0.882 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 1 . 68 . 1 1 5 TYR HB3 H -3.206 -3.993 -1.948 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 1 . 69 . 1 1 5 TYR HD1 H -1.387 -1.977 -2.928 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 1 . 70 . 1 1 5 TYR HD2 H -0.661 -6.102 -2.176 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 1 . 71 . 1 1 5 TYR HE1 H 0.428 -1.954 -4.588 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 1 . 72 . 1 1 5 TYR HE2 H 1.157 -6.090 -3.832 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 1 . 73 . 1 1 5 TYR HH H 2.228 -4.909 -5.382 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 1 . 74 . 1 1 5 TYR N N -0.854 -2.819 0.165 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 1 . 75 . 1 1 5 TYR O O -3.244 -4.097 1.391 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 1 . 76 . 1 1 5 TYR OH O 1.918 -4.011 -5.239 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 1 . 77 . 1 1 6 THR C C -6.524 -1.698 1.232 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 1 . 78 . 1 1 6 THR CA C -5.195 -2.174 1.807 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 1 . 79 . 1 1 6 THR CB C -4.847 -1.318 3.040 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 1 . 80 . 1 1 6 THR CG2 C -3.584 -1.831 3.715 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 1 . 81 . 1 1 6 THR H H -4.084 -1.340 0.209 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 1 . 82 . 1 1 6 THR HA H -5.298 -3.201 2.124 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 1 . 83 . 1 1 6 THR HB H -5.664 -1.381 3.745 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 1 . 84 . 1 1 6 THR HG1 H -5.218 0.611 3.202 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 1 . 85 . 1 1 6 THR HG21 H -2.718 -1.479 3.174 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 1 . 86 . 1 1 6 THR HG22 H -3.591 -2.911 3.720 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 1 . 87 . 1 1 6 THR HG23 H -3.545 -1.467 4.731 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 1 . 88 . 1 1 6 THR N N -4.138 -2.116 0.806 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 1 . 89 . 1 1 6 THR O O -6.626 -1.399 0.042 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 1 . 90 . 1 1 6 THR OG1 O -4.666 0.048 2.654 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 1 . 91 . 1 1 7 LEU C C -8.861 0.296 1.314 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 1 . 92 . 1 1 7 LEU CA C -8.866 -1.190 1.660 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 1 . 93 . 1 1 7 LEU CB C -9.892 -1.465 2.760 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 1 . 94 . 1 1 7 LEU CD1 C -9.675 -3.858 3.478 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 1 . 95 . 1 1 7 LEU CD2 C -11.935 -2.794 3.350 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 1 . 96 . 1 1 7 LEU CG C -10.542 -2.850 2.740 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 1 . 97 . 1 1 7 LEU H H -7.399 -1.882 3.019 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 1 . 98 . 1 1 7 LEU HA H -9.136 -1.751 0.778 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 1 . 99 . 1 1 7 LEU HB2 H -9.398 -1.347 3.711 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 1 . 100 . 1 1 7 LEU HB3 H -10.678 -0.729 2.669 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 1 . 101 . 1 1 7 LEU HD11 H -8.810 -4.096 2.876 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 1 . 102 . 1 1 7 LEU HD12 H -10.244 -4.756 3.661 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 1 . 103 . 1 1 7 LEU HD13 H -9.355 -3.436 4.418 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 1 . 104 . 1 1 7 LEU HD21 H -12.596 -2.252 2.690 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 1 . 105 . 1 1 7 LEU HD22 H -11.889 -2.291 4.305 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 1 . 106 . 1 1 7 LEU HD23 H -12.307 -3.798 3.490 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 1 . 107 . 1 1 7 LEU HG H -10.639 -3.181 1.715 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 1 . 108 . 1 1 7 LEU N N -7.541 -1.630 2.084 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 1 . 109 . 1 1 7 LEU O O -9.571 0.734 0.409 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 1 . 110 . 1 1 8 GLN C C -6.821 2.819 0.838 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 1 . 111 . 1 1 8 GLN CA C -7.956 2.500 1.806 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 1 . 112 . 1 1 8 GLN CB C -7.737 3.238 3.128 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 1 . 113 . 1 1 8 GLN CD C -8.387 3.349 5.567 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 1 . 114 . 1 1 8 GLN CG C -8.813 2.960 4.165 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 1 . 115 . 1 1 8 GLN H H -7.513 0.656 2.746 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 1 . 116 . 1 1 8 GLN HA H -8.887 2.830 1.371 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 1 . 117 . 1 1 8 GLN HB2 H -6.784 2.940 3.540 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 1 . 118 . 1 1 8 GLN HB3 H -7.719 4.301 2.935 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 1 . 119 . 1 1 8 GLN HE21 H -10.254 3.144 6.219 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 1 . 120 . 1 1 8 GLN HE22 H -9.092 3.622 7.405 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 1 . 121 . 1 1 8 GLN HG2 H -9.698 3.523 3.907 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 1 . 122 . 1 1 8 GLN HG3 H -9.043 1.905 4.154 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 1 . 123 . 1 1 8 GLN N N -8.055 1.064 2.038 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 1 . 124 . 1 1 8 GLN NE2 N -9.340 3.375 6.491 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 1 . 125 . 1 1 8 GLN O O -6.362 3.958 0.760 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 1 . 126 . 1 1 8 GLN OE1 O -7.213 3.623 5.818 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 1 . 127 . 1 1 9 SER C C -4.036 2.509 -0.171 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 1 . 128 . 1 1 9 SER CA C -5.291 1.977 -0.857 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 1 . 129 . 1 1 9 SER CB C -5.717 2.931 -1.974 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 1 . 130 . 1 1 9 SER H H -6.782 0.921 0.212 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 1 . 131 . 1 1 9 SER HA H -5.071 1.010 -1.284 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 1 . 132 . 1 1 9 SER HB2 H -6.710 2.668 -2.309 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 1 . 133 . 1 1 9 SER HB3 H -5.721 3.943 -1.597 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 1 . 134 . 1 1 9 SER HG H -5.280 2.460 -3.825 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 1 . 135 . 1 1 9 SER N N -6.375 1.806 0.103 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 1 . 136 . 1 1 9 SER O O -3.720 3.695 -0.263 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 1 . 137 . 1 1 9 SER OG O -4.829 2.855 -3.076 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 1 . 138 . 1 1 10 CYS C C -1.031 2.457 0.240 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 1 . 139 . 1 1 10 CYS CA C -2.106 2.000 1.222 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 1 . 140 . 1 1 10 CYS CB C -1.586 0.824 2.052 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 1 . 141 . 1 1 10 CYS H H -3.630 0.690 0.555 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 1 . 142 . 1 1 10 CYS HA H -2.344 2.819 1.883 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 1 . 143 . 1 1 10 CYS HB2 H -2.400 0.420 2.638 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 1 . 144 . 1 1 10 CYS HB3 H -1.214 0.060 1.386 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 1 . 145 . 1 1 10 CYS N N -3.326 1.623 0.519 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 1 . 146 . 1 1 10 CYS O O -1.005 2.027 -0.913 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 1 . 147 . 1 1 10 CYS SG S -0.242 1.262 3.201 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 1 . 148 . 1 1 11 PHE C C 2.173 2.970 -0.024 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 1 . 149 . 1 1 11 PHE CA C 0.930 3.850 -0.131 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 1 . 150 . 1 1 11 PHE CB C 1.272 5.286 0.271 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 1 . 151 . 1 1 11 PHE CD1 C -0.066 6.327 -1.579 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 1 . 152 . 1 1 11 PHE CD2 C -0.277 7.229 0.619 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 1 . 153 . 1 1 11 PHE CE1 C -0.969 7.261 -2.051 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 1 . 154 . 1 1 11 PHE CE2 C -1.181 8.164 0.152 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 1 . 155 . 1 1 11 PHE CG C 0.290 6.301 -0.240 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 1 . 156 . 1 1 11 PHE CZ C -1.528 8.180 -1.184 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 1 . 157 . 1 1 11 PHE H H -0.219 3.638 1.634 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 1 . 158 . 1 1 11 PHE HA H 0.586 3.843 -1.154 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 1 . 159 . 1 1 11 PHE HB2 H 1.291 5.356 1.348 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 1 . 160 . 1 1 11 PHE HB3 H 2.246 5.539 -0.119 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 1 . 161 . 1 1 11 PHE HD1 H 0.370 5.609 -2.258 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 1 . 162 . 1 1 11 PHE HD2 H -0.006 7.217 1.665 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 1 . 163 . 1 1 11 PHE HE1 H -1.238 7.271 -3.097 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 1 . 164 . 1 1 11 PHE HE2 H -1.616 8.881 0.832 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 1 . 165 . 1 1 11 PHE HZ H -2.234 8.910 -1.552 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 1 . 166 . 1 1 11 PHE N N -0.146 3.332 0.706 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 1 . 167 . 1 1 11 PHE O O 2.381 2.265 0.963 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 1 . 168 . 1 1 12 PRO C C 5.298 2.724 -0.120 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 1 . 169 . 1 1 12 PRO CA C 4.253 2.225 -1.112 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 1 . 170 . 1 1 12 PRO CB C 4.744 2.421 -2.549 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 1 . 171 . 1 1 12 PRO CD C 2.832 3.829 -2.275 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 1 . 172 . 1 1 12 PRO CG C 4.159 3.724 -2.974 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 1 . 173 . 1 1 12 PRO HA H 4.064 1.176 -0.935 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 1 . 174 . 1 1 12 PRO HB2 H 5.824 2.450 -2.563 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 1 . 175 . 1 1 12 PRO HB3 H 4.392 1.610 -3.168 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 1 . 176 . 1 1 12 PRO HD2 H 2.621 4.856 -2.018 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 1 . 177 . 1 1 12 PRO HD3 H 2.045 3.424 -2.896 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 1 . 178 . 1 1 12 PRO HG2 H 4.806 4.533 -2.673 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 1 . 179 . 1 1 12 PRO HG3 H 4.019 3.731 -4.045 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 1 . 180 . 1 1 12 PRO N N 3.018 3.011 -1.065 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 1 . 181 . 1 1 12 PRO O O 5.356 3.916 0.186 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 1 . 182 . 1 1 13 ASP C C 8.266 1.103 1.345 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 1 . 183 . 1 1 13 ASP CA C 7.163 2.156 1.337 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 1 . 184 . 1 1 13 ASP CB C 6.570 2.302 2.739 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 1 . 185 . 1 1 13 ASP CG C 6.108 3.718 3.028 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 1 . 186 . 1 1 13 ASP H H 6.022 0.875 0.096 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 1 . 187 . 1 1 13 ASP HA H 7.587 3.102 1.035 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 1 . 188 . 1 1 13 ASP HB2 H 5.722 1.641 2.835 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 1 . 189 . 1 1 13 ASP HB3 H 7.318 2.030 3.469 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 1 . 190 . 1 1 13 ASP N N 6.119 1.808 0.379 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 1 . 191 . 1 1 13 ASP O O 8.416 0.354 2.311 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 1 . 192 . 1 1 13 ASP OD1 O 6.838 4.664 2.669 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 1 . 193 . 1 1 13 ASP OD2 O 5.015 3.877 3.612 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 2 . 194 . 1 1 1 GLY C C 8.848 -1.184 -0.611 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 2 . 195 . 1 1 1 GLY CA C 9.680 0.065 -0.398 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 2 . 196 . 1 1 1 GLY H1 H 9.037 2.070 -0.178 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 2 . 197 . 1 1 1 GLY HA2 H 10.093 0.376 -1.346 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 2 . 198 . 1 1 1 GLY HA3 H 10.490 -0.167 0.279 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 2 . 199 . 1 1 1 GLY N N 8.905 1.159 0.158 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 2 . 200 . 1 1 1 GLY O O 8.700 -1.654 -1.739 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 2 . 201 . 1 1 2 ARG C C 6.109 -2.616 -0.172 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 2 . 202 . 1 1 2 ARG CA C 7.487 -2.929 0.402 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 2 . 203 . 1 1 2 ARG CB C 7.343 -3.558 1.789 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 2 . 204 . 1 1 2 ARG CD C 8.152 -5.322 3.387 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 2 . 205 . 1 1 2 ARG CG C 8.485 -4.493 2.157 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 2 . 206 . 1 1 2 ARG CZ C 8.587 -5.183 5.803 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 2 . 207 . 1 1 2 ARG H H 8.461 -1.304 1.348 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 2 . 208 . 1 1 2 ARG HA H 7.986 -3.630 -0.251 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 2 . 209 . 1 1 2 ARG HB2 H 7.302 -2.770 2.527 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 2 . 210 . 1 1 2 ARG HB3 H 6.422 -4.120 1.822 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 2 . 211 . 1 1 2 ARG HD2 H 7.106 -5.589 3.353 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 2 . 212 . 1 1 2 ARG HD3 H 8.753 -6.219 3.373 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 2 . 213 . 1 1 2 ARG HE H 8.466 -3.616 4.575 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 2 . 214 . 1 1 2 ARG HG2 H 8.672 -5.159 1.328 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 2 . 215 . 1 1 2 ARG HG3 H 9.368 -3.905 2.357 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 2 . 216 . 1 1 2 ARG HH11 H 8.347 -7.057 5.088 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 2 . 217 . 1 1 2 ARG HH12 H 8.654 -6.945 6.790 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 2 . 218 . 1 1 2 ARG HH21 H 8.871 -3.456 6.814 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 2 . 219 . 1 1 2 ARG HH22 H 8.951 -4.896 7.770 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 2 . 220 . 1 1 2 ARG N N 8.306 -1.725 0.475 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 2 . 221 . 1 1 2 ARG NE N 8.415 -4.593 4.625 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 2 . 222 . 1 1 2 ARG NH1 N 8.523 -6.504 5.902 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 2 . 223 . 1 1 2 ARG NH2 N 8.823 -4.451 6.884 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 2 . 224 . 1 1 2 ARG O O 5.653 -1.473 -0.167 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 2 . 225 . 1 1 3 PRO C C 3.030 -3.204 -0.220 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 2 . 226 . 1 1 3 PRO CA C 4.093 -3.515 -1.267 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 2 . 227 . 1 1 3 PRO CB C 3.839 -4.886 -1.898 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 2 . 228 . 1 1 3 PRO CD C 5.912 -5.045 -0.719 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 2 . 229 . 1 1 3 PRO CG C 4.690 -5.827 -1.118 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 2 . 230 . 1 1 3 PRO HA H 4.075 -2.755 -2.034 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 2 . 231 . 1 1 3 PRO HB2 H 2.791 -5.136 -1.811 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 2 . 232 . 1 1 3 PRO HB3 H 4.124 -4.866 -2.939 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 2 . 233 . 1 1 3 PRO HD2 H 6.261 -5.360 0.253 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 2 . 234 . 1 1 3 PRO HD3 H 6.692 -5.161 -1.458 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 2 . 235 . 1 1 3 PRO HG2 H 4.158 -6.164 -0.241 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 2 . 236 . 1 1 3 PRO HG3 H 4.970 -6.667 -1.736 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 2 . 237 . 1 1 3 PRO N N 5.429 -3.654 -0.679 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 2 . 238 . 1 1 3 PRO O O 2.852 -3.954 0.741 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 2 . 239 . 1 1 4 CYS C C -0.098 -1.772 -0.143 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 2 . 240 . 1 1 4 CYS CA C 1.275 -1.685 0.515 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 2 . 241 . 1 1 4 CYS CB C 1.530 -0.258 1.005 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 2 . 242 . 1 1 4 CYS H H 2.510 -1.539 -1.198 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 2 . 243 . 1 1 4 CYS HA H 1.299 -2.356 1.360 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 2 . 244 . 1 1 4 CYS HB2 H 2.595 -0.092 1.067 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 2 . 245 . 1 1 4 CYS HB3 H 1.103 0.438 0.298 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 2 . 246 . 1 1 4 CYS N N 2.322 -2.095 -0.412 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 2 . 247 . 1 1 4 CYS O O -0.513 -0.862 -0.863 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 2 . 248 . 1 1 4 CYS SG S 0.815 0.105 2.641 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 2 . 249 . 1 1 5 TYR C C -3.173 -3.234 0.638 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 2 . 250 . 1 1 5 TYR CA C -2.126 -3.079 -0.461 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 2 . 251 . 1 1 5 TYR CB C -2.130 -4.314 -1.363 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 2 . 252 . 1 1 5 TYR CD1 C -1.585 -3.477 -3.681 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 2 . 253 . 1 1 5 TYR CD2 C 0.041 -4.805 -2.554 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 2 . 254 . 1 1 5 TYR CE1 C -0.745 -3.368 -4.773 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 2 . 255 . 1 1 5 TYR CE2 C 0.888 -4.700 -3.640 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 2 . 256 . 1 1 5 TYR CG C -1.208 -4.197 -2.554 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 2 . 257 . 1 1 5 TYR CZ C 0.490 -3.981 -4.748 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 2 . 258 . 1 1 5 TYR H H -0.417 -3.561 0.689 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 2 . 259 . 1 1 5 TYR HA H -2.371 -2.210 -1.056 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 2 . 260 . 1 1 5 TYR HB2 H -1.819 -5.172 -0.787 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 2 . 261 . 1 1 5 TYR HB3 H -3.132 -4.478 -1.732 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 2 . 262 . 1 1 5 TYR HD1 H -2.553 -2.997 -3.698 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 2 . 263 . 1 1 5 TYR HD2 H 0.351 -5.368 -1.685 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 2 . 264 . 1 1 5 TYR HE1 H -1.057 -2.804 -5.641 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 2 . 265 . 1 1 5 TYR HE2 H 1.855 -5.180 -3.621 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 2 . 266 . 1 1 5 TYR HH H 1.447 -2.947 -6.055 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 2 . 267 . 1 1 5 TYR N N -0.800 -2.872 0.109 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 2 . 268 . 1 1 5 TYR O O -3.225 -4.255 1.324 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 2 . 269 . 1 1 5 TYR OH O 1.329 -3.873 -5.833 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 2 . 270 . 1 1 6 THR C C -6.378 -1.734 1.250 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 2 . 271 . 1 1 6 THR CA C -5.054 -2.233 1.816 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 2 . 272 . 1 1 6 THR CB C -4.671 -1.373 3.034 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 2 . 273 . 1 1 6 THR CG2 C -3.496 -1.985 3.781 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 2 . 274 . 1 1 6 THR H H -3.917 -1.426 0.223 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 2 . 275 . 1 1 6 THR HA H -5.176 -3.254 2.146 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 2 . 276 . 1 1 6 THR HB H -5.518 -1.325 3.702 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 2 . 277 . 1 1 6 THR HG1 H -5.125 0.401 2.300 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 2 . 278 . 1 1 6 THR HG21 H -3.092 -1.261 4.474 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 2 . 279 . 1 1 6 THR HG22 H -2.731 -2.273 3.076 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 2 . 280 . 1 1 6 THR HG23 H -3.830 -2.854 4.327 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 2 . 281 . 1 1 6 THR N N -4.009 -2.213 0.800 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 2 . 282 . 1 1 6 THR O O -6.481 -1.419 0.064 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 2 . 283 . 1 1 6 THR OG1 O -4.335 -0.046 2.611 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 2 . 284 . 1 1 7 LEU C C -8.670 0.272 1.287 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 2 . 285 . 1 1 7 LEU CA C -8.711 -1.198 1.693 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 2 . 286 . 1 1 7 LEU CB C -9.722 -1.398 2.824 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 2 . 287 . 1 1 7 LEU CD1 C -9.637 -3.829 3.433 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 2 . 288 . 1 1 7 LEU CD2 C -11.804 -2.586 3.558 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 2 . 289 . 1 1 7 LEU CG C -10.482 -2.725 2.816 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 2 . 290 . 1 1 7 LEU H H -7.249 -1.925 3.040 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 2 . 291 . 1 1 7 LEU HA H -9.016 -1.785 0.840 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 2 . 292 . 1 1 7 LEU HB2 H -9.189 -1.329 3.759 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 2 . 293 . 1 1 7 LEU HB3 H -10.447 -0.600 2.764 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 2 . 294 . 1 1 7 LEU HD11 H -8.651 -3.816 2.993 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 2 . 295 . 1 1 7 LEU HD12 H -10.102 -4.785 3.246 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 2 . 296 . 1 1 7 LEU HD13 H -9.558 -3.669 4.498 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 2 . 297 . 1 1 7 LEU HD21 H -12.025 -3.508 4.076 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 2 . 298 . 1 1 7 LEU HD22 H -12.593 -2.373 2.851 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 2 . 299 . 1 1 7 LEU HD23 H -11.733 -1.779 4.271 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 2 . 300 . 1 1 7 LEU HG H -10.699 -3.003 1.794 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 2 . 301 . 1 1 7 LEU N N -7.391 -1.661 2.107 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 2 . 302 . 1 1 7 LEU O O -9.372 0.691 0.367 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 2 . 303 . 1 1 8 GLN C C -6.563 2.724 0.717 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 2 . 304 . 1 1 8 GLN CA C -7.709 2.472 1.690 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 2 . 305 . 1 1 8 GLN CB C -7.481 3.258 2.982 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 2 . 306 . 1 1 8 GLN CD C -9.580 4.660 3.067 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 2 . 307 . 1 1 8 GLN CG C -8.762 3.574 3.737 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 2 . 308 . 1 1 8 GLN H H -7.310 0.656 2.701 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 2 . 309 . 1 1 8 GLN HA H -8.630 2.804 1.234 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 2 . 310 . 1 1 8 GLN HB2 H -6.839 2.681 3.631 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 2 . 311 . 1 1 8 GLN HB3 H -6.991 4.190 2.740 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 2 . 312 . 1 1 8 GLN HE21 H -8.267 6.038 3.642 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 2 . 313 . 1 1 8 GLN HE22 H -9.615 6.619 2.732 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 2 . 314 . 1 1 8 GLN HG2 H -9.362 2.678 3.794 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 2 . 315 . 1 1 8 GLN HG3 H -8.506 3.899 4.734 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 2 . 316 . 1 1 8 GLN N N -7.842 1.049 1.979 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 2 . 317 . 1 1 8 GLN NE2 N -9.107 5.898 3.155 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 2 . 318 . 1 1 8 GLN O O -6.078 3.849 0.591 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 2 . 319 . 1 1 8 GLN OE1 O -10.626 4.391 2.476 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 2 . 320 . 1 1 9 SER C C -3.859 2.536 -0.325 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 2 . 321 . 1 1 9 SER CA C -5.038 1.776 -0.927 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 2 . 322 . 1 1 9 SER CB C -5.514 2.477 -2.200 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 2 . 323 . 1 1 9 SER H H -6.558 0.799 0.176 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 2 . 324 . 1 1 9 SER HA H -4.716 0.776 -1.175 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 2 . 325 . 1 1 9 SER HB2 H -4.751 2.396 -2.960 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 2 . 326 . 1 1 9 SER HB3 H -6.422 2.006 -2.550 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 2 . 327 . 1 1 9 SER HG H -6.711 4.023 -2.084 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 2 . 328 . 1 1 9 SER N N -6.131 1.670 0.031 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 2 . 329 . 1 1 9 SER O O -3.469 3.594 -0.820 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 2 . 330 . 1 1 9 SER OG O -5.775 3.850 -1.961 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 2 . 331 . 1 1 10 CYS C C -0.968 2.726 0.479 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 2 . 332 . 1 1 10 CYS CA C -2.164 2.614 1.420 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 2 . 333 . 1 1 10 CYS CB C -1.776 1.812 2.664 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 2 . 334 . 1 1 10 CYS H H -3.654 1.146 1.097 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 2 . 335 . 1 1 10 CYS HA H -2.463 3.607 1.722 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 2 . 336 . 1 1 10 CYS HB2 H -0.957 2.309 3.161 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 2 . 337 . 1 1 10 CYS HB3 H -2.622 1.767 3.332 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 2 . 338 . 1 1 10 CYS N N -3.297 1.990 0.748 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 2 . 339 . 1 1 10 CYS O O -0.668 1.800 -0.273 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 2 . 340 . 1 1 10 CYS SG S -1.254 0.103 2.312 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 2 . 341 . 1 1 11 PHE C C 1.997 3.122 0.014 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 2 . 342 . 1 1 11 PHE CA C 0.875 4.101 -0.319 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 2 . 343 . 1 1 11 PHE CB C 1.372 5.539 -0.153 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 2 . 344 . 1 1 11 PHE CD1 C -0.643 6.615 -1.191 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 2 . 345 . 1 1 11 PHE CD2 C 1.517 7.311 -1.924 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 2 . 346 . 1 1 11 PHE CE1 C -1.232 7.504 -2.069 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 2 . 347 . 1 1 11 PHE CE2 C 0.934 8.203 -2.806 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 2 . 348 . 1 1 11 PHE CG C 0.735 6.507 -1.109 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 2 . 349 . 1 1 11 PHE CZ C -0.442 8.300 -2.877 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 2 . 350 . 1 1 11 PHE H H -0.576 4.568 1.150 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 2 . 351 . 1 1 11 PHE HA H 0.573 3.950 -1.344 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 2 . 352 . 1 1 11 PHE HB2 H 1.157 5.874 0.850 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 2 . 353 . 1 1 11 PHE HB3 H 2.440 5.564 -0.315 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 2 . 354 . 1 1 11 PHE HD1 H -1.262 5.994 -0.559 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 2 . 355 . 1 1 11 PHE HD2 H 2.593 7.235 -1.868 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 2 . 356 . 1 1 11 PHE HE1 H -2.307 7.579 -2.123 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 2 . 357 . 1 1 11 PHE HE2 H 1.553 8.823 -3.435 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 2 . 358 . 1 1 11 PHE HZ H -0.899 8.996 -3.565 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 2 . 359 . 1 1 11 PHE N N -0.288 3.868 0.529 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 2 . 360 . 1 1 11 PHE O O 2.080 2.587 1.120 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 2 . 361 . 1 1 12 PRO C C 5.070 2.514 0.150 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 2 . 362 . 1 1 12 PRO CA C 4.014 1.964 -0.801 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 2 . 363 . 1 1 12 PRO CB C 4.580 1.844 -2.218 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 2 . 364 . 1 1 12 PRO CD C 2.843 3.483 -2.308 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 2 . 365 . 1 1 12 PRO CG C 4.174 3.106 -2.897 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 2 . 366 . 1 1 12 PRO HA H 3.691 0.993 -0.457 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 2 . 367 . 1 1 12 PRO HB2 H 5.656 1.749 -2.171 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 2 . 368 . 1 1 12 PRO HB3 H 4.157 0.979 -2.706 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 2 . 369 . 1 1 12 PRO HD2 H 2.748 4.557 -2.246 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 2 . 370 . 1 1 12 PRO HD3 H 2.039 3.065 -2.896 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 2 . 371 . 1 1 12 PRO HG2 H 4.903 3.879 -2.703 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 2 . 372 . 1 1 12 PRO HG3 H 4.079 2.936 -3.959 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 2 . 373 . 1 1 12 PRO N N 2.881 2.880 -0.965 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 2 . 374 . 1 1 12 PRO O O 5.064 3.700 0.482 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 2 . 375 . 1 1 13 ASP C C 8.265 1.151 1.331 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 2 . 376 . 1 1 13 ASP CA C 7.041 2.045 1.499 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 2 . 377 . 1 1 13 ASP CB C 6.549 1.990 2.946 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 2 . 378 . 1 1 13 ASP CG C 5.637 3.150 3.293 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 2 . 379 . 1 1 13 ASP H H 5.928 0.714 0.287 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 2 . 380 . 1 1 13 ASP HA H 7.318 3.062 1.262 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 2 . 381 . 1 1 13 ASP HB2 H 6.004 1.070 3.099 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 2 . 382 . 1 1 13 ASP HB3 H 7.400 2.013 3.610 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 2 . 383 . 1 1 13 ASP N N 5.976 1.646 0.586 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 2 . 384 . 1 1 13 ASP O O 8.656 0.436 2.255 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 2 . 385 . 1 1 13 ASP OD1 O 6.142 4.285 3.422 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 2 . 386 . 1 1 13 ASP OD2 O 4.417 2.924 3.436 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 3 . 387 . 1 1 1 GLY C C 9.104 -0.790 -0.584 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 3 . 388 . 1 1 1 GLY CA C 9.865 0.277 0.178 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 3 . 389 . 1 1 1 GLY H1 H 9.282 2.216 0.796 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 3 . 390 . 1 1 1 GLY HA2 H 10.557 0.761 -0.495 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 3 . 391 . 1 1 1 GLY HA3 H 10.423 -0.195 0.974 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 3 . 392 . 1 1 1 GLY N N 8.989 1.282 0.752 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 3 . 393 . 1 1 1 GLY O O 9.088 -0.790 -1.815 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 3 . 394 . 1 1 2 ARG C C 6.248 -2.374 -0.651 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 3 . 395 . 1 1 2 ARG CA C 7.708 -2.779 -0.466 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 3 . 396 . 1 1 2 ARG CB C 7.791 -4.045 0.389 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 3 . 397 . 1 1 2 ARG CD C 8.881 -6.299 0.600 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 3 . 398 . 1 1 2 ARG CG C 9.055 -4.856 0.152 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 3 . 399 . 1 1 2 ARG CZ C 8.760 -8.537 -0.411 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 3 . 400 . 1 1 2 ARG H H 8.521 -1.647 1.126 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 3 . 401 . 1 1 2 ARG HA H 8.138 -2.981 -1.435 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 3 . 402 . 1 1 2 ARG HB2 H 7.760 -3.764 1.431 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 3 . 403 . 1 1 2 ARG HB3 H 6.941 -4.671 0.168 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 3 . 404 . 1 1 2 ARG HD2 H 9.733 -6.580 1.201 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 3 . 405 . 1 1 2 ARG HD3 H 7.982 -6.373 1.192 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 3 . 406 . 1 1 2 ARG HE H 8.722 -6.823 -1.430 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 3 . 407 . 1 1 2 ARG HG2 H 9.288 -4.844 -0.903 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 3 . 408 . 1 1 2 ARG HG3 H 9.867 -4.411 0.707 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 3 . 409 . 1 1 2 ARG HH11 H 8.906 -8.521 1.604 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 3 . 410 . 1 1 2 ARG HH12 H 8.820 -10.092 0.880 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 3 . 411 . 1 1 2 ARG HH21 H 8.609 -8.886 -2.396 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 3 . 412 . 1 1 2 ARG HH22 H 8.652 -10.299 -1.395 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 3 . 413 . 1 1 2 ARG N N 8.471 -1.700 0.149 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 3 . 414 . 1 1 2 ARG NE N 8.779 -7.215 -0.533 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 3 . 415 . 1 1 2 ARG NH1 N 8.835 -9.095 0.790 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 3 . 416 . 1 1 2 ARG NH2 N 8.665 -9.304 -1.490 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 3 . 417 . 1 1 2 ARG O O 5.739 -1.470 0.013 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 3 . 418 . 1 1 3 PRO C C 3.225 -3.206 -0.731 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 3 . 419 . 1 1 3 PRO CA C 4.146 -2.785 -1.871 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 3 . 420 . 1 1 3 PRO CB C 3.875 -3.631 -3.117 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 3 . 421 . 1 1 3 PRO CD C 6.099 -4.146 -2.406 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 3 . 422 . 1 1 3 PRO CG C 4.875 -4.734 -3.051 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 3 . 423 . 1 1 3 PRO HA H 3.982 -1.742 -2.099 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 3 . 424 . 1 1 3 PRO HB2 H 2.864 -4.011 -3.085 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 3 . 425 . 1 1 3 PRO HB3 H 4.011 -3.029 -4.003 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 3 . 426 . 1 1 3 PRO HD2 H 6.595 -4.885 -1.795 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 3 . 427 . 1 1 3 PRO HD3 H 6.772 -3.759 -3.157 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 3 . 428 . 1 1 3 PRO HG2 H 4.488 -5.545 -2.453 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 3 . 429 . 1 1 3 PRO HG3 H 5.106 -5.079 -4.049 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 3 . 430 . 1 1 3 PRO N N 5.556 -3.056 -1.576 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 3 . 431 . 1 1 3 PRO O O 3.414 -4.259 -0.122 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 3 . 432 . 1 1 4 CYS C C -0.146 -2.755 0.072 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 3 . 433 . 1 1 4 CYS CA C 1.276 -2.661 0.621 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 3 . 434 . 1 1 4 CYS CB C 1.347 -1.578 1.699 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 3 . 435 . 1 1 4 CYS H H 2.127 -1.551 -0.967 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 3 . 436 . 1 1 4 CYS HA H 1.542 -3.611 1.059 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 3 . 437 . 1 1 4 CYS HB2 H 0.810 -1.917 2.573 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 3 . 438 . 1 1 4 CYS HB3 H 2.381 -1.409 1.961 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 3 . 439 . 1 1 4 CYS N N 2.227 -2.376 -0.447 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 3 . 440 . 1 1 4 CYS O O -0.498 -2.071 -0.890 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 3 . 441 . 1 1 4 CYS SG S 0.632 0.021 1.196 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 3 . 442 . 1 1 5 TYR C C -3.308 -3.443 1.387 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 3 . 443 . 1 1 5 TYR CA C -2.339 -3.791 0.262 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 3 . 444 . 1 1 5 TYR CB C -2.565 -5.234 -0.194 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 3 . 445 . 1 1 5 TYR CD1 C -1.507 -5.146 -2.485 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 3 . 446 . 1 1 5 TYR CD2 C -0.661 -6.728 -0.915 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 3 . 447 . 1 1 5 TYR CE1 C -0.590 -5.579 -3.422 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 3 . 448 . 1 1 5 TYR CE2 C 0.260 -7.166 -1.846 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 3 . 449 . 1 1 5 TYR CG C -1.559 -5.711 -1.216 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 3 . 450 . 1 1 5 TYR CZ C 0.292 -6.589 -3.098 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 3 . 451 . 1 1 5 TYR H H -0.619 -4.124 1.450 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 3 . 452 . 1 1 5 TYR HA H -2.520 -3.129 -0.572 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 3 . 453 . 1 1 5 TYR HB2 H -2.502 -5.889 0.663 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 3 . 454 . 1 1 5 TYR HB3 H -3.549 -5.315 -0.632 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 3 . 455 . 1 1 5 TYR HD1 H -2.199 -4.355 -2.736 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 3 . 456 . 1 1 5 TYR HD2 H -0.689 -7.177 0.067 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 3 . 457 . 1 1 5 TYR HE1 H -0.565 -5.127 -4.404 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 3 . 458 . 1 1 5 TYR HE2 H 0.951 -7.957 -1.593 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 3 . 459 . 1 1 5 TYR HH H 0.884 -6.827 -4.912 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 3 . 460 . 1 1 5 TYR N N -0.958 -3.606 0.689 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 3 . 461 . 1 1 5 TYR O O -3.180 -3.934 2.509 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 3 . 462 . 1 1 5 TYR OH O 1.207 -7.023 -4.030 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 3 . 463 . 1 1 6 THR C C -6.595 -1.817 1.392 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 3 . 464 . 1 1 6 THR CA C -5.273 -2.175 2.062 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 3 . 465 . 1 1 6 THR CB C -4.782 -0.967 2.880 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 3 . 466 . 1 1 6 THR CG2 C -3.660 -1.373 3.823 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 3 . 467 . 1 1 6 THR H H -4.331 -2.234 0.168 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 3 . 468 . 1 1 6 THR HA H -5.436 -3.000 2.740 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 3 . 469 . 1 1 6 THR HB H -5.607 -0.589 3.467 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 3 . 470 . 1 1 6 THR HG1 H -4.211 0.882 2.496 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 3 . 471 . 1 1 6 THR HG21 H -4.024 -2.113 4.519 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 3 . 472 . 1 1 6 THR HG22 H -3.315 -0.505 4.367 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 3 . 473 . 1 1 6 THR HG23 H -2.842 -1.788 3.253 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 3 . 474 . 1 1 6 THR N N -4.282 -2.591 1.079 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 3 . 475 . 1 1 6 THR O O -6.736 -1.932 0.173 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 3 . 476 . 1 1 6 THR OG1 O -4.323 0.066 2.001 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 3 . 477 . 1 1 7 LEU C C -8.872 0.441 1.193 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 3 . 478 . 1 1 7 LEU CA C -8.872 -1.006 1.679 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 3 . 479 . 1 1 7 LEU CB C -9.939 -1.193 2.757 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 3 . 480 . 1 1 7 LEU CD1 C -11.469 -2.739 1.512 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 3 . 481 . 1 1 7 LEU CD2 C -9.633 -3.675 2.930 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 3 . 482 . 1 1 7 LEU CG C -10.645 -2.549 2.776 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 3 . 483 . 1 1 7 LEU H H -7.389 -1.312 3.156 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 3 . 484 . 1 1 7 LEU HA H -9.098 -1.653 0.844 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 3 . 485 . 1 1 7 LEU HB2 H -9.467 -1.053 3.718 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 3 . 486 . 1 1 7 LEU HB3 H -10.692 -0.429 2.615 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 3 . 487 . 1 1 7 LEU HD11 H -12.061 -3.636 1.599 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 3 . 488 . 1 1 7 LEU HD12 H -10.808 -2.826 0.662 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 3 . 489 . 1 1 7 LEU HD13 H -12.120 -1.888 1.375 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 3 . 490 . 1 1 7 LEU HD21 H -8.960 -3.445 3.742 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 3 . 491 . 1 1 7 LEU HD22 H -9.069 -3.779 2.013 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 3 . 492 . 1 1 7 LEU HD23 H -10.151 -4.599 3.142 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 3 . 493 . 1 1 7 LEU HG H -11.319 -2.587 3.621 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 3 . 494 . 1 1 7 LEU N N -7.561 -1.382 2.194 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 3 . 495 . 1 1 7 LEU O O -9.540 0.777 0.216 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 3 . 496 . 1 1 8 GLN C C -6.843 2.950 0.590 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 3 . 497 . 1 1 8 GLN CA C -8.027 2.700 1.518 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 3 . 498 . 1 1 8 GLN CB C -7.897 3.564 2.773 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 3 . 499 . 1 1 8 GLN CD C -9.923 5.045 3.064 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 3 . 500 . 1 1 8 GLN CG C -9.213 3.780 3.502 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 3 . 501 . 1 1 8 GLN H H -7.606 0.961 2.650 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 3 . 502 . 1 1 8 GLN HA H -8.937 2.967 1.001 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 3 . 503 . 1 1 8 GLN HB2 H -7.207 3.088 3.454 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 3 . 504 . 1 1 8 GLN HB3 H -7.505 4.530 2.492 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 3 . 505 . 1 1 8 GLN HE21 H -9.686 5.835 4.874 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 3 . 506 . 1 1 8 GLN HE22 H -10.505 6.829 3.722 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 3 . 507 . 1 1 8 GLN HG2 H -9.860 2.937 3.307 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 3 . 508 . 1 1 8 GLN HG3 H -9.016 3.843 4.563 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 3 . 509 . 1 1 8 GLN N N -8.115 1.290 1.881 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 3 . 510 . 1 1 8 GLN NE2 N -10.052 5.999 3.979 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 3 . 511 . 1 1 8 GLN O O -6.403 4.087 0.422 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 3 . 512 . 1 1 8 GLN OE1 O -10.350 5.166 1.916 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 3 . 513 . 1 1 9 SER C C -4.053 2.760 -0.275 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 3 . 514 . 1 1 9 SER CA C -5.197 1.983 -0.920 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 3 . 515 . 1 1 9 SER CB C -5.620 2.664 -2.223 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 3 . 516 . 1 1 9 SER H H -6.727 1.000 0.163 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 3 . 517 . 1 1 9 SER HA H -4.856 0.982 -1.141 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 3 . 518 . 1 1 9 SER HB2 H -6.193 3.549 -1.995 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 3 . 519 . 1 1 9 SER HB3 H -4.738 2.940 -2.784 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 3 . 520 . 1 1 9 SER HG H -6.031 0.916 -3.008 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 3 . 521 . 1 1 9 SER N N -6.332 1.880 -0.011 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 3 . 522 . 1 1 9 SER O O -3.954 3.979 -0.421 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 3 . 523 . 1 1 9 SER OG O -6.412 1.798 -3.017 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 3 . 524 . 1 1 10 CYS C C -0.866 2.792 0.160 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 3 . 525 . 1 1 10 CYS CA C -2.053 2.667 1.110 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 3 . 526 . 1 1 10 CYS CB C -1.653 1.851 2.341 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 3 . 527 . 1 1 10 CYS H H -3.322 1.077 0.521 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 3 . 528 . 1 1 10 CYS HA H -2.353 3.654 1.425 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 3 . 529 . 1 1 10 CYS HB2 H -0.788 2.308 2.799 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 3 . 530 . 1 1 10 CYS HB3 H -2.471 1.851 3.046 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 3 . 531 . 1 1 10 CYS N N -3.191 2.046 0.441 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 3 . 532 . 1 1 10 CYS O O -0.713 1.999 -0.768 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 3 . 533 . 1 1 10 CYS SG S -1.233 0.115 1.979 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 3 . 534 . 1 1 11 PHE C C 2.275 3.067 -0.060 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 3 . 535 . 1 1 11 PHE CA C 1.147 4.025 -0.433 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 3 . 536 . 1 1 11 PHE CB C 1.624 5.473 -0.291 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 3 . 537 . 1 1 11 PHE CD1 C -0.482 6.785 -0.665 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 3 . 538 . 1 1 11 PHE CD2 C 1.308 7.046 -2.219 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 3 . 539 . 1 1 11 PHE CE1 C -1.242 7.688 -1.385 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 3 . 540 . 1 1 11 PHE CE2 C 0.553 7.950 -2.943 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 3 . 541 . 1 1 11 PHE CG C 0.800 6.454 -1.074 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 3 . 542 . 1 1 11 PHE CZ C -0.722 8.272 -2.524 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 3 . 543 . 1 1 11 PHE H H -0.202 4.393 1.157 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 3 . 544 . 1 1 11 PHE HA H 0.864 3.848 -1.459 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 3 . 545 . 1 1 11 PHE HB2 H 1.579 5.758 0.750 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 3 . 546 . 1 1 11 PHE HB3 H 2.644 5.543 -0.635 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 3 . 547 . 1 1 11 PHE HD1 H -0.888 6.330 0.226 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 3 . 548 . 1 1 11 PHE HD2 H 2.308 6.795 -2.547 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 3 . 549 . 1 1 11 PHE HE1 H -2.239 7.938 -1.057 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 3 . 550 . 1 1 11 PHE HE2 H 0.962 8.405 -3.833 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 3 . 551 . 1 1 11 PHE HZ H -1.315 8.977 -3.089 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 3 . 552 . 1 1 11 PHE N N -0.027 3.794 0.401 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 3 . 553 . 1 1 11 PHE O O 2.349 2.561 1.059 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 3 . 554 . 1 1 12 PRO C C 5.353 2.500 0.133 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 3 . 555 . 1 1 12 PRO CA C 4.316 1.915 -0.819 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 3 . 556 . 1 1 12 PRO CB C 4.905 1.766 -2.225 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 3 . 557 . 1 1 12 PRO CD C 3.149 3.382 -2.379 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 3 . 558 . 1 1 12 PRO CG C 4.493 3.006 -2.940 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 3 . 559 . 1 1 12 PRO HA H 4.000 0.948 -0.455 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 3 . 560 . 1 1 12 PRO HB2 H 5.980 1.685 -2.160 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 3 . 561 . 1 1 12 PRO HB3 H 4.498 0.884 -2.698 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 3 . 562 . 1 1 12 PRO HD2 H 3.042 4.456 -2.345 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 3 . 563 . 1 1 12 PRO HD3 H 2.359 2.940 -2.967 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 3 . 564 . 1 1 12 PRO HG2 H 5.210 3.792 -2.755 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 3 . 565 . 1 1 12 PRO HG3 H 4.415 2.810 -3.999 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 3 . 566 . 1 1 12 PRO N N 3.175 2.812 -1.022 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 3 . 567 . 1 1 12 PRO O O 5.587 3.708 0.144 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 3 . 568 . 1 1 13 ASP C C 8.206 1.153 1.834 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 3 . 569 . 1 1 13 ASP CA C 6.986 2.068 1.886 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 3 . 570 . 1 1 13 ASP CB C 6.407 2.088 3.302 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 3 . 571 . 1 1 13 ASP CG C 7.077 3.122 4.186 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 3 . 572 . 1 1 13 ASP H H 5.742 0.685 0.875 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 3 . 573 . 1 1 13 ASP HA H 7.290 3.068 1.617 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 3 . 574 . 1 1 13 ASP HB2 H 5.353 2.316 3.249 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 3 . 575 . 1 1 13 ASP HB3 H 6.539 1.115 3.751 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 3 . 576 . 1 1 13 ASP N N 5.972 1.636 0.930 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 3 . 577 . 1 1 13 ASP O O 8.274 0.153 2.550 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 3 . 578 . 1 1 13 ASP OD1 O 8.293 2.989 4.435 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 3 . 579 . 1 1 13 ASP OD2 O 6.385 4.063 4.628 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 4 . 580 . 1 1 1 GLY C C 9.107 -0.839 -0.659 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 4 . 581 . 1 1 1 GLY CA C 9.853 0.337 -0.057 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 4 . 582 . 1 1 1 GLY H1 H 9.082 2.278 0.287 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 4 . 583 . 1 1 1 GLY HA2 H 10.451 0.802 -0.827 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 4 . 584 . 1 1 1 GLY HA3 H 10.507 -0.028 0.721 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 4 . 585 . 1 1 1 GLY N N 8.960 1.331 0.508 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 4 . 586 . 1 1 1 GLY O O 9.085 -1.010 -1.877 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 4 . 587 . 1 1 2 ARG C C 6.281 -2.464 -0.490 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 4 . 588 . 1 1 2 ARG CA C 7.748 -2.816 -0.255 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 4 . 589 . 1 1 2 ARG CB C 7.854 -3.947 0.770 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 4 . 590 . 1 1 2 ARG CD C 9.278 -5.712 1.853 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 4 . 591 . 1 1 2 ARG CG C 9.228 -4.595 0.821 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 4 . 592 . 1 1 2 ARG CZ C 9.592 -4.441 3.934 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 4 . 593 . 1 1 2 ARG H H 8.550 -1.460 1.159 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 4 . 594 . 1 1 2 ARG HA H 8.180 -3.146 -1.188 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 4 . 595 . 1 1 2 ARG HB2 H 7.630 -3.551 1.750 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 4 . 596 . 1 1 2 ARG HB3 H 7.129 -4.709 0.524 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 4 . 597 . 1 1 2 ARG HD2 H 8.621 -6.507 1.536 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 4 . 598 . 1 1 2 ARG HD3 H 10.291 -6.082 1.912 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 4 . 599 . 1 1 2 ARG HE H 8.000 -5.568 3.515 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 4 . 600 . 1 1 2 ARG HG2 H 9.458 -5.008 -0.150 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 4 . 601 . 1 1 2 ARG HG3 H 9.960 -3.844 1.079 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 4 . 602 . 1 1 2 ARG HH11 H 11.102 -4.277 2.603 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 4 . 603 . 1 1 2 ARG HH12 H 11.310 -3.386 4.074 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 4 . 604 . 1 1 2 ARG HH21 H 8.262 -4.399 5.456 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 4 . 605 . 1 1 2 ARG HH22 H 9.694 -3.457 5.697 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 4 . 606 . 1 1 2 ARG N N 8.496 -1.649 0.199 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 4 . 607 . 1 1 2 ARG NE N 8.864 -5.253 3.176 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 4 . 608 . 1 1 2 ARG NH1 N 10.764 -3.998 3.502 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 4 . 609 . 1 1 2 ARG NH2 N 9.146 -4.068 5.127 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 4 . 610 . 1 1 2 ARG O O 5.747 -1.513 0.081 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 4 . 611 . 1 1 3 PRO C C 3.279 -3.369 -0.513 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 4 . 612 . 1 1 3 PRO CA C 4.202 -3.038 -1.681 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 4 . 613 . 1 1 3 PRO CB C 3.963 -4.006 -2.843 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 4 . 614 . 1 1 3 PRO CD C 6.190 -4.398 -2.068 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 4 . 615 . 1 1 3 PRO CG C 4.985 -5.074 -2.663 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 4 . 616 . 1 1 3 PRO HA H 4.017 -2.026 -2.009 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 4 . 617 . 1 1 3 PRO HB2 H 2.959 -4.404 -2.781 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 4 . 618 . 1 1 3 PRO HB3 H 4.094 -3.487 -3.780 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 4 . 619 . 1 1 3 PRO HD2 H 6.696 -5.064 -1.385 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 4 . 620 . 1 1 3 PRO HD3 H 6.862 -4.071 -2.847 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 4 . 621 . 1 1 3 PRO HG2 H 4.610 -5.832 -1.993 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 4 . 622 . 1 1 3 PRO HG3 H 5.234 -5.508 -3.621 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 4 . 623 . 1 1 3 PRO N N 5.615 -3.247 -1.351 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 4 . 624 . 1 1 3 PRO O O 3.528 -4.309 0.242 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 4 . 625 . 1 1 4 CYS C C -0.141 -3.076 0.145 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 4 . 626 . 1 1 4 CYS CA C 1.251 -2.800 0.705 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 4 . 627 . 1 1 4 CYS CB C 1.207 -1.577 1.625 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 4 . 628 . 1 1 4 CYS H H 2.067 -1.855 -1.004 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 4 . 629 . 1 1 4 CYS HA H 1.573 -3.658 1.276 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 4 . 630 . 1 1 4 CYS HB2 H 0.496 -1.758 2.418 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 4 . 631 . 1 1 4 CYS HB3 H 2.187 -1.426 2.056 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 4 . 632 . 1 1 4 CYS N N 2.212 -2.590 -0.370 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 4 . 633 . 1 1 4 CYS O O -0.476 -2.642 -0.957 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 4 . 634 . 1 1 4 CYS SG S 0.725 -0.034 0.788 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 4 . 635 . 1 1 5 TYR C C -3.331 -3.595 1.477 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 4 . 636 . 1 1 5 TYR CA C -2.302 -4.140 0.491 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 4 . 637 . 1 1 5 TYR CB C -2.457 -5.656 0.362 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 4 . 638 . 1 1 5 TYR CD1 C -1.612 -6.067 -1.983 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 4 . 639 . 1 1 5 TYR CD2 C -0.447 -7.088 -0.171 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 4 . 640 . 1 1 5 TYR CE1 C -0.729 -6.638 -2.878 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 4 . 641 . 1 1 5 TYR CE2 C 0.442 -7.662 -1.059 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 4 . 642 . 1 1 5 TYR CG C -1.488 -6.282 -0.615 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 4 . 643 . 1 1 5 TYR CZ C 0.296 -7.435 -2.412 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 4 . 644 . 1 1 5 TYR H H -0.624 -4.121 1.780 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 4 . 645 . 1 1 5 TYR HA H -2.473 -3.687 -0.475 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 4 . 646 . 1 1 5 TYR HB2 H -2.295 -6.110 1.327 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 4 . 647 . 1 1 5 TYR HB3 H -3.459 -5.882 0.027 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 4 . 648 . 1 1 5 TYR HD1 H -2.416 -5.442 -2.343 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 4 . 649 . 1 1 5 TYR HD2 H -0.335 -7.265 0.889 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 4 . 650 . 1 1 5 TYR HE1 H -0.843 -6.459 -3.937 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 4 . 651 . 1 1 5 TYR HE2 H 1.245 -8.286 -0.694 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 4 . 652 . 1 1 5 TYR HH H 0.893 -7.818 -4.198 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 4 . 653 . 1 1 5 TYR N N -0.948 -3.802 0.911 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 4 . 654 . 1 1 5 TYR O O -3.411 -4.044 2.621 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 4 . 655 . 1 1 5 TYR OH O 1.178 -8.004 -3.301 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 4 . 656 . 1 1 6 THR C C -6.360 -1.612 1.047 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 4 . 657 . 1 1 6 THR CA C -5.140 -2.015 1.868 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 4 . 658 . 1 1 6 THR CB C -4.599 -0.774 2.604 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 4 . 659 . 1 1 6 THR CG2 C -3.271 -1.083 3.279 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 4 . 660 . 1 1 6 THR H H -4.005 -2.307 0.106 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 4 . 661 . 1 1 6 THR HA H -5.441 -2.743 2.606 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 4 . 662 . 1 1 6 THR HB H -5.313 -0.484 3.362 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 4 . 663 . 1 1 6 THR HG1 H -4.799 1.111 2.059 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 4 . 664 . 1 1 6 THR HG21 H -2.997 -0.263 3.926 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 4 . 665 . 1 1 6 THR HG22 H -2.508 -1.219 2.526 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 4 . 666 . 1 1 6 THR HG23 H -3.366 -1.986 3.863 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 4 . 667 . 1 1 6 THR N N -4.117 -2.622 1.026 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 4 . 668 . 1 1 6 THR O O -6.261 -1.386 -0.160 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 4 . 669 . 1 1 6 THR OG1 O -4.431 0.308 1.681 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 4 . 670 . 1 1 7 LEU C C -8.887 0.372 0.961 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 4 . 671 . 1 1 7 LEU CA C -8.749 -1.145 1.037 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 4 . 672 . 1 1 7 LEU CB C -9.951 -1.742 1.772 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 4 . 673 . 1 1 7 LEU CD1 C -11.263 -2.506 -0.222 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 4 . 674 . 1 1 7 LEU CD2 C -12.424 -2.105 1.957 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 4 . 675 . 1 1 7 LEU CG C -11.291 -1.662 1.042 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 4 . 676 . 1 1 7 LEU H H -7.525 -1.714 2.668 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 4 . 677 . 1 1 7 LEU HA H -8.717 -1.543 0.034 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 4 . 678 . 1 1 7 LEU HB2 H -9.739 -2.783 1.961 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 4 . 679 . 1 1 7 LEU HB3 H -10.053 -1.221 2.714 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 4 . 680 . 1 1 7 LEU HD11 H -10.932 -1.900 -1.052 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 4 . 681 . 1 1 7 LEU HD12 H -12.254 -2.883 -0.425 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 4 . 682 . 1 1 7 LEU HD13 H -10.583 -3.335 -0.086 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 4 . 683 . 1 1 7 LEU HD21 H -12.028 -2.737 2.738 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 4 . 684 . 1 1 7 LEU HD22 H -13.154 -2.658 1.383 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 4 . 685 . 1 1 7 LEU HD23 H -12.892 -1.237 2.397 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 4 . 686 . 1 1 7 LEU HG H -11.476 -0.636 0.753 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 4 . 687 . 1 1 7 LEU N N -7.509 -1.523 1.707 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 4 . 688 . 1 1 7 LEU O O -9.567 0.899 0.081 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 4 . 689 . 1 1 8 GLN C C -7.155 3.129 1.099 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 4 . 690 . 1 1 8 GLN CA C -8.286 2.524 1.924 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 4 . 691 . 1 1 8 GLN CB C -8.202 3.023 3.368 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 4 . 692 . 1 1 8 GLN CD C -9.313 3.007 5.638 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 4 . 693 . 1 1 8 GLN CG C -9.504 2.877 4.139 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 4 . 694 . 1 1 8 GLN H H -7.711 0.590 2.563 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 4 . 695 . 1 1 8 GLN HA H -9.230 2.834 1.501 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 4 . 696 . 1 1 8 GLN HB2 H -7.437 2.462 3.885 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 4 . 697 . 1 1 8 GLN HB3 H -7.929 4.068 3.361 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 4 . 698 . 1 1 8 GLN HE21 H -10.256 4.757 5.630 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 4 . 699 . 1 1 8 GLN HE22 H -9.695 4.212 7.171 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 4 . 700 . 1 1 8 GLN HG2 H -10.190 3.644 3.811 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 4 . 701 . 1 1 8 GLN HG3 H -9.926 1.905 3.927 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 4 . 702 . 1 1 8 GLN N N -8.237 1.067 1.889 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 4 . 703 . 1 1 8 GLN NE2 N -9.803 4.103 6.203 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 4 . 704 . 1 1 8 GLN O O -6.817 4.302 1.256 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 4 . 705 . 1 1 8 GLN OE1 O -8.731 2.131 6.279 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 4 . 706 . 1 1 9 SER C C -4.260 3.147 0.212 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 4 . 707 . 1 1 9 SER CA C -5.477 2.772 -0.628 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 4 . 708 . 1 1 9 SER CB C -5.919 3.971 -1.471 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 4 . 709 . 1 1 9 SER H H -6.888 1.394 0.140 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 4 . 710 . 1 1 9 SER HA H -5.210 1.960 -1.287 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 4 . 711 . 1 1 9 SER HB2 H -6.946 3.838 -1.771 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 4 . 712 . 1 1 9 SER HB3 H -5.829 4.873 -0.883 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 4 . 713 . 1 1 9 SER HG H -5.596 4.599 -3.298 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 4 . 714 . 1 1 9 SER N N -6.574 2.319 0.220 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 4 . 715 . 1 1 9 SER O O -4.237 4.193 0.859 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 4 . 716 . 1 1 9 SER OG O -5.116 4.101 -2.632 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 4 . 717 . 1 1 10 CYS C C -0.848 2.772 0.021 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 4 . 718 . 1 1 10 CYS CA C -2.029 2.522 0.955 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 4 . 719 . 1 1 10 CYS CB C -1.729 1.329 1.866 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 4 . 720 . 1 1 10 CYS H H -3.327 1.467 -0.341 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 4 . 721 . 1 1 10 CYS HA H -2.182 3.399 1.564 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 4 . 722 . 1 1 10 CYS HB2 H -2.334 1.405 2.757 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 4 . 723 . 1 1 10 CYS HB3 H -1.979 0.417 1.344 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 4 . 724 . 1 1 10 CYS N N -3.249 2.284 0.196 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 4 . 725 . 1 1 10 CYS O O -0.714 2.125 -1.017 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 4 . 726 . 1 1 10 CYS SG S 0.012 1.212 2.388 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 4 . 727 . 1 1 11 PHE C C 2.332 3.101 -0.110 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 4 . 728 . 1 1 11 PHE CA C 1.178 4.054 -0.403 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 4 . 729 . 1 1 11 PHE CB C 1.611 5.497 -0.132 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 4 . 730 . 1 1 11 PHE CD1 C -0.493 6.818 -0.481 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 4 . 731 . 1 1 11 PHE CD2 C 1.330 7.174 -1.976 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 4 . 732 . 1 1 11 PHE CE1 C -1.243 7.756 -1.167 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 4 . 733 . 1 1 11 PHE CE2 C 0.586 8.113 -2.665 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 4 . 734 . 1 1 11 PHE CG C 0.800 6.516 -0.878 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 4 . 735 . 1 1 11 PHE CZ C -0.701 8.405 -2.259 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 4 . 736 . 1 1 11 PHE H H -0.151 4.198 1.238 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 4 . 737 . 1 1 11 PHE HA H 0.903 3.959 -1.443 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 4 . 738 . 1 1 11 PHE HB2 H 1.511 5.701 0.924 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 4 . 739 . 1 1 11 PHE HB3 H 2.644 5.615 -0.421 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 4 . 740 . 1 1 11 PHE HD1 H -0.917 6.312 0.374 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 4 . 741 . 1 1 11 PHE HD2 H 2.338 6.946 -2.294 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 4 . 742 . 1 1 11 PHE HE1 H -2.248 7.983 -0.847 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 4 . 743 . 1 1 11 PHE HE2 H 1.012 8.619 -3.519 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 4 . 744 . 1 1 11 PHE HZ H -1.284 9.138 -2.796 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 4 . 745 . 1 1 11 PHE N N 0.008 3.717 0.399 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 4 . 746 . 1 1 11 PHE O O 2.421 2.504 0.964 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 4 . 747 . 1 1 12 PRO C C 5.425 2.605 0.041 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 4 . 748 . 1 1 12 PRO CA C 4.405 2.071 -0.958 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 4 . 749 . 1 1 12 PRO CB C 4.996 2.057 -2.370 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 4 . 750 . 1 1 12 PRO CD C 3.196 3.630 -2.393 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 4 . 751 . 1 1 12 PRO CG C 4.550 3.341 -2.981 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 4 . 752 . 1 1 12 PRO HA H 4.116 1.070 -0.676 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 4 . 753 . 1 1 12 PRO HB2 H 6.073 2.000 -2.311 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 4 . 754 . 1 1 12 PRO HB3 H 4.614 1.207 -2.916 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 4 . 755 . 1 1 12 PRO HD2 H 3.058 4.694 -2.270 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 4 . 756 . 1 1 12 PRO HD3 H 2.417 3.217 -3.017 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 4 . 757 . 1 1 12 PRO HG2 H 5.244 4.128 -2.730 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 4 . 758 . 1 1 12 PRO HG3 H 4.476 3.230 -4.052 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 4 . 759 . 1 1 12 PRO N N 3.238 2.951 -1.087 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 4 . 760 . 1 1 12 PRO O O 5.658 3.811 0.121 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 4 . 761 . 1 1 13 ASP C C 8.288 1.231 1.652 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 4 . 762 . 1 1 13 ASP CA C 7.028 2.079 1.795 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 4 . 763 . 1 1 13 ASP CB C 6.456 1.930 3.205 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 4 . 764 . 1 1 13 ASP CG C 5.588 3.107 3.605 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 4 . 765 . 1 1 13 ASP H H 5.802 0.752 0.691 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 4 . 766 . 1 1 13 ASP HA H 7.286 3.114 1.629 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 4 . 767 . 1 1 13 ASP HB2 H 5.857 1.032 3.252 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 4 . 768 . 1 1 13 ASP HB3 H 7.270 1.851 3.911 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 4 . 769 . 1 1 13 ASP N N 6.031 1.699 0.801 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 4 . 770 . 1 1 13 ASP O O 8.593 0.405 2.514 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 4 . 771 . 1 1 13 ASP OD1 O 6.037 4.260 3.439 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 4 . 772 . 1 1 13 ASP OD2 O 4.457 2.874 4.082 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 5 . 773 . 1 1 1 GLY C C 9.103 -0.836 -0.668 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 5 . 774 . 1 1 1 GLY CA C 9.860 0.317 -0.041 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 5 . 775 . 1 1 1 GLY H1 H 9.211 2.266 0.473 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 5 . 776 . 1 1 1 GLY HA2 H 10.473 0.784 -0.797 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 5 . 777 . 1 1 1 GLY HA3 H 10.499 -0.069 0.740 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 5 . 778 . 1 1 1 GLY N N 8.976 1.316 0.530 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 5 . 779 . 1 1 1 GLY O O 9.066 -0.973 -1.891 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 5 . 780 . 1 1 2 ARG C C 6.273 -2.459 -0.511 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 5 . 781 . 1 1 2 ARG CA C 7.741 -2.821 -0.307 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 5 . 782 . 1 1 2 ARG CB C 7.858 -3.983 0.681 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 5 . 783 . 1 1 2 ARG CD C 9.338 -5.569 -0.589 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 5 . 784 . 1 1 2 ARG CG C 9.206 -4.683 0.642 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 5 . 785 . 1 1 2 ARG CZ C 9.540 -7.777 0.472 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 5 . 786 . 1 1 2 ARG H H 8.563 -1.509 1.137 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 5 . 787 . 1 1 2 ARG HA H 8.161 -3.123 -1.255 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 5 . 788 . 1 1 2 ARG HB2 H 7.703 -3.606 1.682 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 5 . 789 . 1 1 2 ARG HB3 H 7.093 -4.710 0.456 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 5 . 790 . 1 1 2 ARG HD2 H 8.737 -5.150 -1.382 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 5 . 791 . 1 1 2 ARG HD3 H 10.373 -5.586 -0.893 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 5 . 792 . 1 1 2 ARG HE H 8.077 -7.241 -0.774 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 5 . 793 . 1 1 2 ARG HG2 H 9.988 -3.938 0.620 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 5 . 794 . 1 1 2 ARG HG3 H 9.311 -5.293 1.525 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 5 . 795 . 1 1 2 ARG HH11 H 11.002 -6.468 0.949 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 5 . 796 . 1 1 2 ARG HH12 H 11.133 -8.028 1.690 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 5 . 797 . 1 1 2 ARG HH21 H 8.239 -9.299 0.195 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 5 . 798 . 1 1 2 ARG HH22 H 9.561 -9.639 1.260 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 5 . 799 . 1 1 2 ARG N N 8.499 -1.671 0.172 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 5 . 800 . 1 1 2 ARG NE N 8.895 -6.936 -0.329 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 5 . 801 . 1 1 2 ARG NH1 N 10.649 -7.394 1.087 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 5 . 802 . 1 1 2 ARG NH2 N 9.074 -9.006 0.658 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 5 . 803 . 1 1 2 ARG O O 5.752 -1.518 0.087 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 5 . 804 . 1 1 3 PRO C C 3.266 -3.351 -0.505 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 5 . 805 . 1 1 3 PRO CA C 4.173 -3.000 -1.681 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 5 . 806 . 1 1 3 PRO CB C 3.910 -3.943 -2.857 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 5 . 807 . 1 1 3 PRO CD C 6.148 -4.361 -2.127 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 5 . 808 . 1 1 3 PRO CG C 4.932 -5.019 -2.716 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 5 . 809 . 1 1 3 PRO HA H 3.987 -1.981 -1.985 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 5 . 810 . 1 1 3 PRO HB2 H 2.907 -4.338 -2.789 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 5 . 811 . 1 1 3 PRO HB3 H 4.029 -3.406 -3.787 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 5 . 812 . 1 1 3 PRO HD2 H 6.663 -5.042 -1.465 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 5 . 813 . 1 1 3 PRO HD3 H 6.809 -4.019 -2.909 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 5 . 814 . 1 1 3 PRO HG2 H 4.564 -5.789 -2.056 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 5 . 815 . 1 1 3 PRO HG3 H 5.164 -5.433 -3.686 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 5 . 816 . 1 1 3 PRO N N 5.590 -3.222 -1.377 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 5 . 817 . 1 1 3 PRO O O 3.543 -4.286 0.247 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 5 . 818 . 1 1 4 CYS C C -0.154 -3.132 0.182 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 5 . 819 . 1 1 4 CYS CA C 1.237 -2.827 0.731 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 5 . 820 . 1 1 4 CYS CB C 1.177 -1.606 1.652 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 5 . 821 . 1 1 4 CYS H H 2.018 -1.864 -0.985 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 5 . 822 . 1 1 4 CYS HA H 1.582 -3.678 1.298 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 5 . 823 . 1 1 4 CYS HB2 H 0.428 -1.775 2.412 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 5 . 824 . 1 1 4 CYS HB3 H 2.139 -1.474 2.125 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 5 . 825 . 1 1 4 CYS N N 2.184 -2.596 -0.353 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 5 . 826 . 1 1 4 CYS O O -0.493 -2.738 -0.935 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 5 . 827 . 1 1 4 CYS SG S 0.758 -0.051 0.800 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 5 . 828 . 1 1 5 TYR C C -3.339 -3.621 1.535 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 5 . 829 . 1 1 5 TYR CA C -2.309 -4.196 0.568 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 5 . 830 . 1 1 5 TYR CB C -2.453 -5.717 0.495 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 5 . 831 . 1 1 5 TYR CD1 C -0.953 -5.875 -1.530 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 5 . 832 . 1 1 5 TYR CD2 C -0.744 -7.544 0.159 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 5 . 833 . 1 1 5 TYR CE1 C 0.041 -6.488 -2.267 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 5 . 834 . 1 1 5 TYR CE2 C 0.252 -8.164 -0.571 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 5 . 835 . 1 1 5 TYR CG C -1.363 -6.391 -0.307 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 5 . 836 . 1 1 5 TYR CZ C 0.642 -7.633 -1.783 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 5 . 837 . 1 1 5 TYR H H -0.629 -4.120 1.853 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 5 . 838 . 1 1 5 TYR HA H -2.481 -3.779 -0.414 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 5 . 839 . 1 1 5 TYR HB2 H -2.428 -6.122 1.494 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 5 . 840 . 1 1 5 TYR HB3 H -3.402 -5.959 0.038 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 5 . 841 . 1 1 5 TYR HD1 H -1.424 -4.979 -1.906 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 5 . 842 . 1 1 5 TYR HD2 H -1.051 -7.958 1.108 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 5 . 843 . 1 1 5 TYR HE1 H 0.347 -6.072 -3.216 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 5 . 844 . 1 1 5 TYR HE2 H 0.723 -9.060 -0.192 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 5 . 845 . 1 1 5 TYR HH H 1.563 -7.982 -3.433 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 5 . 846 . 1 1 5 TYR N N -0.955 -3.835 0.974 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 5 . 847 . 1 1 5 TYR O O -3.436 -4.048 2.686 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 5 . 848 . 1 1 5 TYR OH O 1.634 -8.246 -2.513 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 5 . 849 . 1 1 6 THR C C -6.338 -1.607 1.037 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 5 . 850 . 1 1 6 THR CA C -5.134 -2.012 1.878 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 5 . 851 . 1 1 6 THR CB C -4.583 -0.768 2.599 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 5 . 852 . 1 1 6 THR CG2 C -3.257 -1.078 3.277 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 5 . 853 . 1 1 6 THR H H -3.985 -2.351 0.133 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 5 . 854 . 1 1 6 THR HA H -5.452 -2.725 2.625 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 5 . 855 . 1 1 6 THR HB H -5.295 -0.464 3.354 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 5 . 856 . 1 1 6 THR HG1 H -3.948 -0.023 0.887 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 5 . 857 . 1 1 6 THR HG21 H -3.009 -0.282 3.965 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 5 . 858 . 1 1 6 THR HG22 H -2.482 -1.162 2.530 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 5 . 859 . 1 1 6 THR HG23 H -3.338 -2.008 3.819 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 5 . 860 . 1 1 6 THR N N -4.110 -2.647 1.057 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 5 . 861 . 1 1 6 THR O O -6.216 -1.364 -0.165 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 5 . 862 . 1 1 6 THR OG1 O -4.408 0.303 1.665 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 5 . 863 . 1 1 7 LEU C C -8.877 0.359 0.924 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 5 . 864 . 1 1 7 LEU CA C -8.731 -1.157 0.984 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 5 . 865 . 1 1 7 LEU CB C -9.943 -1.772 1.687 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 5 . 866 . 1 1 7 LEU CD1 C -11.848 -1.529 3.297 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 5 . 867 . 1 1 7 LEU CD2 C -9.506 -1.095 4.060 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 5 . 868 . 1 1 7 LEU CG C -10.480 -1.002 2.894 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 5 . 869 . 1 1 7 LEU H H -7.536 -1.740 2.631 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 5 . 870 . 1 1 7 LEU HA H -8.676 -1.542 -0.024 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 5 . 871 . 1 1 7 LEU HB2 H -10.739 -1.849 0.963 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 5 . 872 . 1 1 7 LEU HB3 H -9.664 -2.761 2.020 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 5 . 873 . 1 1 7 LEU HD11 H -11.968 -2.537 2.931 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 5 . 874 . 1 1 7 LEU HD12 H -12.615 -0.898 2.872 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 5 . 875 . 1 1 7 LEU HD13 H -11.934 -1.523 4.373 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 5 . 876 . 1 1 7 LEU HD21 H -9.223 -2.126 4.211 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 5 . 877 . 1 1 7 LEU HD22 H -9.980 -0.716 4.955 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 5 . 878 . 1 1 7 LEU HD23 H -8.627 -0.507 3.842 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 5 . 879 . 1 1 7 LEU HG H -10.588 0.041 2.629 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 5 . 880 . 1 1 7 LEU N N -7.502 -1.535 1.674 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 5 . 881 . 1 1 7 LEU O O -9.565 0.891 0.053 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 5 . 882 . 1 1 8 GLN C C -7.151 3.124 1.092 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 5 . 883 . 1 1 8 GLN CA C -8.283 2.506 1.906 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 5 . 884 . 1 1 8 GLN CB C -8.207 2.988 3.356 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 5 . 885 . 1 1 8 GLN CD C -9.488 3.776 5.386 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 5 . 886 . 1 1 8 GLN CG C -9.565 3.102 4.030 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 5 . 887 . 1 1 8 GLN H H -7.694 0.568 2.522 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 5 . 888 . 1 1 8 GLN HA H -9.226 2.815 1.482 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 5 . 889 . 1 1 8 GLN HB2 H -7.604 2.296 3.923 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 5 . 890 . 1 1 8 GLN HB3 H -7.738 3.961 3.375 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 5 . 891 . 1 1 8 GLN HE21 H -10.793 2.477 6.134 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 5 . 892 . 1 1 8 GLN HE22 H -10.209 3.672 7.236 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 5 . 893 . 1 1 8 GLN HG2 H -10.221 3.679 3.396 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 5 . 894 . 1 1 8 GLN HG3 H -9.972 2.110 4.161 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 5 . 895 . 1 1 8 GLN N N -8.225 1.049 1.855 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 5 . 896 . 1 1 8 GLN NE2 N -10.240 3.257 6.349 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 5 . 897 . 1 1 8 GLN O O -6.819 4.296 1.265 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 5 . 898 . 1 1 8 GLN OE1 O -8.761 4.754 5.566 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 5 . 899 . 1 1 9 SER C C -4.252 3.160 0.216 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 5 . 900 . 1 1 9 SER CA C -5.466 2.796 -0.633 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 5 . 901 . 1 1 9 SER CB C -5.906 4.006 -1.459 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 5 . 902 . 1 1 9 SER H H -6.874 1.402 0.114 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 5 . 903 . 1 1 9 SER HA H -5.194 1.994 -1.302 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 5 . 904 . 1 1 9 SER HB2 H -5.845 4.895 -0.850 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 5 . 905 . 1 1 9 SER HB3 H -5.257 4.111 -2.315 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 5 . 906 . 1 1 9 SER HG H -7.362 4.357 -2.722 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 5 . 907 . 1 1 9 SER N N -6.563 2.328 0.205 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 5 . 908 . 1 1 9 SER O O -4.233 4.196 0.882 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 5 . 909 . 1 1 9 SER OG O -7.240 3.854 -1.913 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 5 . 910 . 1 1 10 CYS C C -0.837 2.802 0.025 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 5 . 911 . 1 1 10 CYS CA C -2.019 2.530 0.953 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 5 . 912 . 1 1 10 CYS CB C -1.715 1.322 1.842 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 5 . 913 . 1 1 10 CYS H H -3.312 1.492 -0.364 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 5 . 914 . 1 1 10 CYS HA H -2.177 3.396 1.578 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 5 . 915 . 1 1 10 CYS HB2 H -2.329 1.376 2.729 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 5 . 916 . 1 1 10 CYS HB3 H -1.953 0.418 1.300 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 5 . 917 . 1 1 10 CYS N N -3.238 2.302 0.187 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 5 . 918 . 1 1 10 CYS O O -0.701 2.175 -1.024 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 5 . 919 . 1 1 10 CYS SG S 0.022 1.210 2.377 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 5 . 920 . 1 1 11 PHE C C 2.337 3.135 -0.105 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 5 . 921 . 1 1 11 PHE CA C 1.184 4.099 -0.371 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 5 . 922 . 1 1 11 PHE CB C 1.621 5.531 -0.061 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 5 . 923 . 1 1 11 PHE CD1 C 0.865 6.845 -2.061 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 5 . 924 . 1 1 11 PHE CD2 C -0.171 7.284 0.042 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 5 . 925 . 1 1 11 PHE CE1 C 0.068 7.806 -2.656 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 5 . 926 . 1 1 11 PHE CE2 C -0.970 8.246 -0.548 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 5 . 927 . 1 1 11 PHE CG C 0.753 6.575 -0.706 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 5 . 928 . 1 1 11 PHE CZ C -0.851 8.506 -1.900 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 5 . 929 . 1 1 11 PHE H H -0.148 4.207 1.271 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 5 . 930 . 1 1 11 PHE HA H 0.910 4.033 -1.413 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 5 . 931 . 1 1 11 PHE HB2 H 1.588 5.687 1.007 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 5 . 932 . 1 1 11 PHE HB3 H 2.632 5.676 -0.410 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 5 . 933 . 1 1 11 PHE HD1 H 1.582 6.298 -2.654 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 5 . 934 . 1 1 11 PHE HD2 H -0.266 7.082 1.099 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 5 . 935 . 1 1 11 PHE HE1 H 0.164 8.007 -3.713 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 5 . 936 . 1 1 11 PHE HE2 H -1.688 8.791 0.046 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 5 . 937 . 1 1 11 PHE HZ H -1.473 9.257 -2.363 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 5 . 938 . 1 1 11 PHE N N 0.015 3.742 0.423 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 5 . 939 . 1 1 11 PHE O O 2.424 2.508 0.951 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 5 . 940 . 1 1 12 PRO C C 5.429 2.629 0.033 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 5 . 941 . 1 1 12 PRO CA C 4.408 2.127 -0.981 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 5 . 942 . 1 1 12 PRO CB C 4.999 2.151 -2.393 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 5 . 943 . 1 1 12 PRO CD C 3.203 3.728 -2.372 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 5 . 944 . 1 1 12 PRO CG C 4.556 3.452 -2.968 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 5 . 945 . 1 1 12 PRO HA H 4.118 1.118 -0.729 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 5 . 946 . 1 1 12 PRO HB2 H 6.077 2.091 -2.336 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 5 . 947 . 1 1 12 PRO HB3 H 4.617 1.318 -2.962 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 5 . 948 . 1 1 12 PRO HD2 H 3.066 4.788 -2.219 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 5 . 949 . 1 1 12 PRO HD3 H 2.423 3.333 -3.007 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 5 . 950 . 1 1 12 PRO HG2 H 5.251 4.231 -2.694 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 5 . 951 . 1 1 12 PRO HG3 H 4.483 3.373 -4.042 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 5 . 952 . 1 1 12 PRO N N 3.243 3.012 -1.085 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 5 . 953 . 1 1 12 PRO O O 5.676 3.831 0.136 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 5 . 954 . 1 1 13 ASP C C 8.261 1.181 1.642 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 5 . 955 . 1 1 13 ASP CA C 7.017 2.052 1.784 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 5 . 956 . 1 1 13 ASP CB C 6.431 1.899 3.189 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 5 . 957 . 1 1 13 ASP CG C 7.394 2.345 4.271 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 5 . 958 . 1 1 13 ASP H H 5.781 0.761 0.650 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 5 . 959 . 1 1 13 ASP HA H 7.295 3.084 1.632 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 5 . 960 . 1 1 13 ASP HB2 H 5.534 2.496 3.265 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 5 . 961 . 1 1 13 ASP HB3 H 6.182 0.862 3.357 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 5 . 962 . 1 1 13 ASP N N 6.020 1.703 0.779 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 5 . 963 . 1 1 13 ASP O O 8.555 0.354 2.507 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 5 . 964 . 1 1 13 ASP OD1 O 8.396 3.010 3.934 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 5 . 965 . 1 1 13 ASP OD2 O 7.148 2.028 5.453 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 6 . 966 . 1 1 1 GLY C C 9.016 -1.347 -0.202 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 6 . 967 . 1 1 1 GLY CA C 9.830 -0.087 0.013 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 6 . 968 . 1 1 1 GLY H1 H 9.137 1.891 -0.283 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 6 . 969 . 1 1 1 GLY HA2 H 10.440 0.088 -0.861 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 6 . 970 . 1 1 1 GLY HA3 H 10.477 -0.232 0.867 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 6 . 971 . 1 1 1 GLY N N 8.999 1.079 0.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 6 . 972 . 1 1 1 GLY O O 9.143 -2.007 -1.234 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 6 . 973 . 1 1 2 ARG C C 5.997 -2.548 0.046 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 6 . 974 . 1 1 2 ARG CA C 7.342 -2.874 0.687 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 6 . 975 . 1 1 2 ARG CB C 7.126 -3.472 2.078 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 6 . 976 . 1 1 2 ARG CD C 7.749 -5.413 3.549 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 6 . 977 . 1 1 2 ARG CG C 8.240 -4.406 2.521 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 6 . 978 . 1 1 2 ARG CZ C 6.323 -7.413 3.640 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 6 . 979 . 1 1 2 ARG H H 8.122 -1.116 1.572 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 6 . 980 . 1 1 2 ARG HA H 7.856 -3.596 0.070 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 6 . 981 . 1 1 2 ARG HB2 H 7.053 -2.668 2.796 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 6 . 982 . 1 1 2 ARG HB3 H 6.200 -4.028 2.078 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 6 . 983 . 1 1 2 ARG HD2 H 8.605 -5.872 4.020 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 6 . 984 . 1 1 2 ARG HD3 H 7.165 -4.891 4.292 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 6 . 985 . 1 1 2 ARG HE H 6.818 -6.440 1.969 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 6 . 986 . 1 1 2 ARG HG2 H 8.613 -4.940 1.659 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 6 . 987 . 1 1 2 ARG HG3 H 9.036 -3.820 2.955 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 6 . 988 . 1 1 2 ARG HH11 H 7.001 -6.771 5.431 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 6 . 989 . 1 1 2 ARG HH12 H 5.994 -8.180 5.480 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 6 . 990 . 1 1 2 ARG HH21 H 5.491 -8.295 2.022 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 6 . 991 . 1 1 2 ARG HH22 H 5.136 -9.047 3.541 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 6 . 992 . 1 1 2 ARG N N 8.179 -1.683 0.774 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 6 . 993 . 1 1 2 ARG NE N 6.925 -6.455 2.943 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 6 . 994 . 1 1 2 ARG NH1 N 6.451 -7.459 4.959 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 6 . 995 . 1 1 2 ARG NH2 N 5.590 -8.327 3.017 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 6 . 996 . 1 1 2 ARG O O 5.561 -1.397 0.011 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 6 . 997 . 1 1 3 PRO C C 2.913 -3.085 -0.130 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 6 . 998 . 1 1 3 PRO CA C 4.016 -3.433 -1.122 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 6 . 999 . 1 1 3 PRO CB C 3.766 -4.812 -1.740 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 6 . 1000 . 1 1 3 PRO CD C 5.782 -4.983 -0.466 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 6 . 1001 . 1 1 3 PRO CG C 4.565 -5.751 -0.905 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 6 . 1002 . 1 1 3 PRO HA H 4.046 -2.687 -1.903 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 6 . 1003 . 1 1 3 PRO HB2 H 2.711 -5.042 -1.696 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1004 . 1 1 3 PRO HB3 H 4.098 -4.815 -2.767 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1005 . 1 1 3 PRO HD2 H 6.081 -5.286 0.527 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 6 . 1006 . 1 1 3 PRO HD3 H 6.592 -5.126 -1.166 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 6 . 1007 . 1 1 3 PRO HG2 H 3.989 -6.063 -0.048 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 6 . 1008 . 1 1 3 PRO HG3 H 4.857 -6.608 -1.495 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 6 . 1009 . 1 1 3 PRO N N 5.322 -3.584 -0.474 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 6 . 1010 . 1 1 3 PRO O O 2.770 -3.731 0.909 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 6 . 1011 . 1 1 4 CYS C C -0.306 -1.799 -0.291 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 6 . 1012 . 1 1 4 CYS CA C 1.039 -1.627 0.407 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 6 . 1013 . 1 1 4 CYS CB C 1.232 -0.164 0.811 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 6 . 1014 . 1 1 4 CYS H H 2.294 -1.584 -1.298 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 6 . 1015 . 1 1 4 CYS HA H 1.052 -2.242 1.294 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 6 . 1016 . 1 1 4 CYS HB2 H 2.272 0.101 0.691 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1017 . 1 1 4 CYS HB3 H 0.630 0.462 0.170 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1018 . 1 1 4 CYS N N 2.131 -2.061 -0.456 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 6 . 1019 . 1 1 4 CYS O O -0.753 -0.919 -1.029 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 6 . 1020 . 1 1 4 CYS SG S 0.767 0.198 2.536 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 6 . 1021 . 1 1 5 TYR C C -3.307 -3.453 0.408 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 6 . 1022 . 1 1 5 TYR CA C -2.242 -3.227 -0.661 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 6 . 1023 . 1 1 5 TYR CB C -2.142 -4.457 -1.564 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 6 . 1024 . 1 1 5 TYR CD1 C 0.096 -4.170 -2.698 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 6 . 1025 . 1 1 5 TYR CD2 C -1.866 -4.101 -4.049 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 6 . 1026 . 1 1 5 TYR CE1 C 0.880 -3.969 -3.818 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 6 . 1027 . 1 1 5 TYR CE2 C -1.091 -3.901 -5.175 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 6 . 1028 . 1 1 5 TYR CG C -1.288 -4.238 -2.793 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 6 . 1029 . 1 1 5 TYR CZ C 0.282 -3.835 -5.054 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 6 . 1030 . 1 1 5 TYR H H -0.542 -3.600 0.543 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 6 . 1031 . 1 1 5 TYR HA H -2.525 -2.374 -1.261 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 6 . 1032 . 1 1 5 TYR HB2 H -1.711 -5.273 -1.004 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1033 . 1 1 5 TYR HB3 H -3.132 -4.736 -1.893 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1034 . 1 1 5 TYR HD1 H 0.562 -4.276 -1.729 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 6 . 1035 . 1 1 5 TYR HD2 H -2.942 -4.152 -4.140 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 6 . 1036 . 1 1 5 TYR HE1 H 1.954 -3.918 -3.725 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 6 . 1037 . 1 1 5 TYR HE2 H -1.559 -3.795 -6.142 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 6 . 1038 . 1 1 5 TYR HH H 0.641 -2.985 -6.740 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 6 . 1039 . 1 1 5 TYR N N -0.948 -2.938 -0.054 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 6 . 1040 . 1 1 5 TYR O O -3.320 -4.483 1.081 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 6 . 1041 . 1 1 5 TYR OH O 1.059 -3.637 -6.172 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 6 . 1042 . 1 1 6 THR C C -6.495 -1.777 1.101 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 6 . 1043 . 1 1 6 THR CA C -5.270 -2.571 1.544 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 6 . 1044 . 1 1 6 THR CB C -4.810 -2.057 2.921 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 6 . 1045 . 1 1 6 THR CG2 C -3.681 -2.917 3.470 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 6 . 1046 . 1 1 6 THR H H -4.139 -1.683 -0.009 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 6 . 1047 . 1 1 6 THR HA H -5.545 -3.611 1.644 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 6 . 1048 . 1 1 6 THR HB H -5.645 -2.106 3.605 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 6 . 1049 . 1 1 6 THR HG1 H -3.763 -0.613 2.077 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 6 . 1050 . 1 1 6 THR HG21 H -3.960 -3.958 3.408 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 6 . 1051 . 1 1 6 THR HG22 H -3.496 -2.653 4.500 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 6 . 1052 . 1 1 6 THR HG23 H -2.787 -2.749 2.889 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 6 . 1053 . 1 1 6 THR N N -4.201 -2.480 0.558 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 6 . 1054 . 1 1 6 THR O O -6.446 -1.037 0.118 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 6 . 1055 . 1 1 6 THR OG1 O -4.372 -0.697 2.815 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 6 . 1056 . 1 1 7 LEU C C -8.600 0.275 1.453 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 6 . 1057 . 1 1 7 LEU CA C -8.830 -1.231 1.517 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 6 . 1058 . 1 1 7 LEU CB C -9.902 -1.552 2.560 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 6 . 1059 . 1 1 7 LEU CD1 C -10.058 -4.051 2.660 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 6 . 1060 . 1 1 7 LEU CD2 C -12.108 -2.659 3.003 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 6 . 1061 . 1 1 7 LEU CG C -10.779 -2.771 2.270 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 6 . 1062 . 1 1 7 LEU H H -7.570 -2.538 2.606 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 6 . 1063 . 1 1 7 LEU HA H -9.167 -1.573 0.550 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 6 . 1064 . 1 1 7 LEU HB2 H -9.406 -1.719 3.504 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1065 . 1 1 7 LEU HB3 H -10.549 -0.690 2.643 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1066 . 1 1 7 LEU HD11 H -9.302 -3.828 3.398 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 6 . 1067 . 1 1 7 LEU HD12 H -9.593 -4.483 1.786 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 6 . 1068 . 1 1 7 LEU HD13 H -10.768 -4.753 3.073 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 6 . 1069 . 1 1 7 LEU HD21 H -11.945 -2.219 3.976 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 6 . 1070 . 1 1 7 LEU HD22 H -12.537 -3.644 3.120 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 6 . 1071 . 1 1 7 LEU HD23 H -12.781 -2.038 2.433 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 6 . 1072 . 1 1 7 LEU HG H -10.983 -2.814 1.209 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 6 . 1073 . 1 1 7 LEU N N -7.592 -1.935 1.833 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 6 . 1074 . 1 1 7 LEU O O -9.202 0.970 0.636 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 6 . 1075 . 1 1 8 GLN C C -6.580 2.606 1.153 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 6 . 1076 . 1 1 8 GLN CA C -7.413 2.195 2.362 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 6 . 1077 . 1 1 8 GLN CB C -6.667 2.540 3.652 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 6 . 1078 . 1 1 8 GLN CD C -7.544 1.036 5.484 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 6 . 1079 . 1 1 8 GLN CG C -7.528 2.436 4.901 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 6 . 1080 . 1 1 8 GLN H H -7.277 0.167 2.948 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 6 . 1081 . 1 1 8 GLN HA H -8.346 2.739 2.341 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 6 . 1082 . 1 1 8 GLN HB2 H -5.831 1.865 3.760 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1083 . 1 1 8 GLN HB3 H -6.296 3.552 3.580 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1084 . 1 1 8 GLN HE21 H -9.443 1.258 6.028 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 6 . 1085 . 1 1 8 GLN HE22 H -8.723 -0.264 6.416 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 6 . 1086 . 1 1 8 GLN HG2 H -7.142 3.115 5.646 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 6 . 1087 . 1 1 8 GLN HG3 H -8.540 2.716 4.648 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 6 . 1088 . 1 1 8 GLN N N -7.724 0.772 2.321 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 6 . 1089 . 1 1 8 GLN NE2 N -8.685 0.636 6.032 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 6 . 1090 . 1 1 8 GLN O O -6.530 3.782 0.791 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 6 . 1091 . 1 1 8 GLN OE1 O -6.541 0.323 5.443 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 6 . 1092 . 1 1 9 SER C C -3.864 2.713 -0.252 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 6 . 1093 . 1 1 9 SER CA C -5.092 1.889 -0.635 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 6 . 1094 . 1 1 9 SER CB C -5.896 2.622 -1.710 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 6 . 1095 . 1 1 9 SER H H -6.006 0.712 0.869 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 6 . 1096 . 1 1 9 SER HA H -4.764 0.938 -1.027 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 6 . 1097 . 1 1 9 SER HB2 H -6.917 2.275 -1.692 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1098 . 1 1 9 SER HB3 H -5.871 3.684 -1.513 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1099 . 1 1 9 SER HG H -6.072 2.248 -3.626 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 6 . 1100 . 1 1 9 SER N N -5.927 1.630 0.532 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 6 . 1101 . 1 1 9 SER O O -3.528 3.692 -0.917 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 6 . 1102 . 1 1 9 SER OG O -5.357 2.384 -2.999 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 6 . 1103 . 1 1 10 CYS C C -0.912 2.984 0.243 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 6 . 1104 . 1 1 10 CYS CA C -2.012 3.005 1.300 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 6 . 1105 . 1 1 10 CYS CB C -1.504 2.369 2.595 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 6 . 1106 . 1 1 10 CYS H H -3.518 1.519 1.315 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 6 . 1107 . 1 1 10 CYS HA H -2.286 4.031 1.496 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 6 . 1108 . 1 1 10 CYS HB2 H -0.554 2.814 2.856 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1109 . 1 1 10 CYS HB3 H -2.215 2.561 3.384 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1110 . 1 1 10 CYS N N -3.201 2.308 0.825 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 6 . 1111 . 1 1 10 CYS O O -0.838 2.065 -0.575 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 6 . 1112 . 1 1 10 CYS SG S -1.260 0.567 2.491 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 6 . 1113 . 1 1 11 PHE C C 2.191 3.180 -0.294 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 6 . 1114 . 1 1 11 PHE CA C 1.040 4.100 -0.690 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 6 . 1115 . 1 1 11 PHE CB C 1.535 5.545 -0.782 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 6 . 1116 . 1 1 11 PHE CD1 C 0.697 6.411 -2.983 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 6 . 1117 . 1 1 11 PHE CD2 C -0.252 7.294 -0.982 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 6 . 1118 . 1 1 11 PHE CE1 C -0.123 7.229 -3.736 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 6 . 1119 . 1 1 11 PHE CE2 C -1.075 8.115 -1.730 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 6 . 1120 . 1 1 11 PHE CG C 0.642 6.435 -1.599 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 6 . 1121 . 1 1 11 PHE CZ C -1.011 8.081 -3.110 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 6 . 1122 . 1 1 11 PHE H H -0.167 4.704 0.941 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 6 . 1123 . 1 1 11 PHE HA H 0.666 3.795 -1.656 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 6 . 1124 . 1 1 11 PHE HB2 H 1.597 5.960 0.212 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1125 . 1 1 11 PHE HB3 H 2.516 5.554 -1.233 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1126 . 1 1 11 PHE HD1 H 1.390 5.744 -3.475 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 6 . 1127 . 1 1 11 PHE HD2 H -0.303 7.321 0.098 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 6 . 1128 . 1 1 11 PHE HE1 H -0.072 7.200 -4.814 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 6 . 1129 . 1 1 11 PHE HE2 H -1.768 8.780 -1.236 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 6 . 1130 . 1 1 11 PHE HZ H -1.653 8.721 -3.696 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 6 . 1131 . 1 1 11 PHE N N -0.057 4.001 0.266 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 6 . 1132 . 1 1 11 PHE O O 2.357 2.818 0.870 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 6 . 1133 . 1 1 12 PRO C C 5.271 2.593 -0.289 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 6 . 1134 . 1 1 12 PRO CA C 4.154 1.908 -1.068 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 6 . 1135 . 1 1 12 PRO CB C 4.620 1.573 -2.487 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 6 . 1136 . 1 1 12 PRO CD C 2.865 3.184 -2.700 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 6 . 1137 . 1 1 12 PRO CG C 4.154 2.719 -3.318 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 6 . 1138 . 1 1 12 PRO HA H 3.865 1.000 -0.559 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 6 . 1139 . 1 1 12 PRO HB2 H 5.697 1.483 -2.504 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1140 . 1 1 12 PRO HB3 H 4.170 0.645 -2.808 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1141 . 1 1 12 PRO HD2 H 2.766 4.254 -2.794 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 6 . 1142 . 1 1 12 PRO HD3 H 2.025 2.683 -3.157 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 6 . 1143 . 1 1 12 PRO HG2 H 4.889 3.510 -3.297 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 6 . 1144 . 1 1 12 PRO HG3 H 3.985 2.390 -4.333 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 6 . 1145 . 1 1 12 PRO N N 3.005 2.791 -1.287 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 6 . 1146 . 1 1 12 PRO O O 5.432 3.812 -0.359 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 6 . 1147 . 1 1 13 ASP C C 8.278 1.318 1.345 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 6 . 1148 . 1 1 13 ASP CA C 7.145 2.334 1.243 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 6 . 1149 . 1 1 13 ASP CB C 6.659 2.715 2.643 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 6 . 1150 . 1 1 13 ASP CG C 5.595 3.796 2.612 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 6 . 1151 . 1 1 13 ASP H H 5.862 0.839 0.466 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 6 . 1152 . 1 1 13 ASP HA H 7.513 3.217 0.746 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 6 . 1153 . 1 1 13 ASP HB2 H 6.244 1.842 3.124 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 6 . 1154 . 1 1 13 ASP HB3 H 7.496 3.076 3.221 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 6 . 1155 . 1 1 13 ASP N N 6.040 1.802 0.452 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 6 . 1156 . 1 1 13 ASP O O 8.584 0.820 2.428 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 6 . 1157 . 1 1 13 ASP OD1 O 4.412 3.456 2.401 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 6 . 1158 . 1 1 13 ASP OD2 O 5.945 4.978 2.800 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 7 . 1159 . 1 1 1 GLY C C 8.784 -1.162 -0.730 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 7 . 1160 . 1 1 1 GLY CA C 9.626 0.085 -0.543 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 7 . 1161 . 1 1 1 GLY H1 H 9.230 2.079 0.045 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 7 . 1162 . 1 1 1 GLY HA2 H 9.972 0.421 -1.509 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 7 . 1163 . 1 1 1 GLY HA3 H 10.482 -0.161 0.068 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 7 . 1164 . 1 1 1 GLY N N 8.890 1.161 0.093 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 7 . 1165 . 1 1 1 GLY O O 8.538 -1.589 -1.857 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 7 . 1166 . 1 1 2 ARG C C 6.138 -2.650 -0.222 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 7 . 1167 . 1 1 2 ARG CA C 7.526 -2.955 0.332 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 7 . 1168 . 1 1 2 ARG CB C 7.406 -3.569 1.728 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 7 . 1169 . 1 1 2 ARG CD C 8.058 -5.643 2.988 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 7 . 1170 . 1 1 2 ARG CG C 8.535 -4.528 2.070 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 7 . 1171 . 1 1 2 ARG CZ C 10.114 -6.957 3.286 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 7 . 1172 . 1 1 2 ARG H H 8.572 -1.359 1.248 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 7 . 1173 . 1 1 2 ARG HA H 8.015 -3.661 -0.321 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 7 . 1174 . 1 1 2 ARG HB2 H 7.405 -2.774 2.460 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1175 . 1 1 2 ARG HB3 H 6.473 -4.107 1.792 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1176 . 1 1 2 ARG HD2 H 8.118 -5.300 4.010 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 7 . 1177 . 1 1 2 ARG HD3 H 7.031 -5.876 2.745 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 7 . 1178 . 1 1 2 ARG HE H 8.455 -7.621 2.399 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 7 . 1179 . 1 1 2 ARG HG2 H 8.912 -4.965 1.157 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 7 . 1180 . 1 1 2 ARG HG3 H 9.323 -3.980 2.563 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 7 . 1181 . 1 1 2 ARG HH11 H 10.192 -5.078 4.021 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 7 . 1182 . 1 1 2 ARG HH12 H 11.636 -6.014 4.225 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 7 . 1183 . 1 1 2 ARG HH21 H 10.350 -8.866 2.661 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 7 . 1184 . 1 1 2 ARG HH22 H 11.724 -8.169 3.450 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 7 . 1185 . 1 1 2 ARG N N 8.343 -1.747 0.378 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 7 . 1186 . 1 1 2 ARG NE N 8.866 -6.852 2.845 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 7 . 1187 . 1 1 2 ARG NH1 N 10.695 -5.932 3.893 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 7 . 1188 . 1 1 2 ARG NH2 N 10.784 -8.090 3.118 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 7 . 1189 . 1 1 2 ARG O O 5.678 -1.507 -0.222 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 7 . 1190 . 1 1 3 PRO C C 3.059 -3.245 -0.213 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 7 . 1191 . 1 1 3 PRO CA C 4.106 -3.565 -1.275 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 7 . 1192 . 1 1 3 PRO CB C 3.844 -4.944 -1.886 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 7 . 1193 . 1 1 3 PRO CD C 5.937 -5.085 -0.740 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 7 . 1194 . 1 1 3 PRO CG C 4.711 -5.874 -1.110 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 7 . 1195 . 1 1 3 PRO HA H 4.073 -2.814 -2.050 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 7 . 1196 . 1 1 3 PRO HB2 H 2.798 -5.196 -1.779 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1197 . 1 1 3 PRO HB3 H 4.112 -4.935 -2.932 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1198 . 1 1 3 PRO HD2 H 6.302 -5.389 0.230 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 7 . 1199 . 1 1 3 PRO HD3 H 6.705 -5.207 -1.490 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 7 . 1200 . 1 1 3 PRO HG2 H 4.194 -6.202 -0.221 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 7 . 1201 . 1 1 3 PRO HG3 H 4.981 -6.721 -1.723 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 7 . 1202 . 1 1 3 PRO N N 5.451 -3.695 -0.708 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 7 . 1203 . 1 1 3 PRO O O 2.899 -3.984 0.759 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 7 . 1204 . 1 1 4 CYS C C -0.071 -1.817 -0.100 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 7 . 1205 . 1 1 4 CYS CA C 1.314 -1.722 0.535 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 7 . 1206 . 1 1 4 CYS CB C 1.574 -0.290 1.006 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 7 . 1207 . 1 1 4 CYS H H 2.520 -1.591 -1.200 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 7 . 1208 . 1 1 4 CYS HA H 1.352 -2.384 1.386 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 7 . 1209 . 1 1 4 CYS HB2 H 2.639 -0.121 1.049 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1210 . 1 1 4 CYS HB3 H 1.135 0.399 0.299 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1211 . 1 1 4 CYS N N 2.346 -2.141 -0.406 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 7 . 1212 . 1 1 4 CYS O O -0.480 -0.937 -0.857 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 7 . 1213 . 1 1 4 CYS SG S 0.886 0.088 2.650 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 7 . 1214 . 1 1 5 TYR C C -3.157 -3.188 0.793 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 7 . 1215 . 1 1 5 TYR CA C -2.124 -3.104 -0.326 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 7 . 1216 . 1 1 5 TYR CB C -2.160 -4.380 -1.168 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 7 . 1217 . 1 1 5 TYR CD1 C -0.709 -3.368 -2.969 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 7 . 1218 . 1 1 5 TYR CD2 C -0.333 -5.644 -2.369 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 7 . 1219 . 1 1 5 TYR CE1 C 0.307 -3.442 -3.902 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 7 . 1220 . 1 1 5 TYR CE2 C 0.685 -5.727 -3.298 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 7 . 1221 . 1 1 5 TYR CG C -1.047 -4.466 -2.188 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 7 . 1222 . 1 1 5 TYR CZ C 1.000 -4.623 -4.063 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 7 . 1223 . 1 1 5 TYR H H -0.407 -3.558 0.823 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 7 . 1224 . 1 1 5 TYR HA H -2.363 -2.261 -0.958 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 7 . 1225 . 1 1 5 TYR HB2 H -2.077 -5.235 -0.515 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1226 . 1 1 5 TYR HB3 H -3.100 -4.427 -1.697 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1227 . 1 1 5 TYR HD1 H -1.254 -2.444 -2.840 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 7 . 1228 . 1 1 5 TYR HD2 H -0.584 -6.507 -1.767 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 7 . 1229 . 1 1 5 TYR HE1 H 0.555 -2.578 -4.501 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 7 . 1230 . 1 1 5 TYR HE2 H 1.228 -6.651 -3.425 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 7 . 1231 . 1 1 5 TYR HH H 1.866 -4.049 -5.681 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 7 . 1232 . 1 1 5 TYR N N -0.786 -2.891 0.214 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 7 . 1233 . 1 1 5 TYR O O -3.156 -4.131 1.586 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 7 . 1234 . 1 1 5 TYR OH O 2.014 -4.701 -4.992 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 7 . 1235 . 1 1 6 THR C C -6.415 -1.722 1.282 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 7 . 1236 . 1 1 6 THR CA C -5.079 -2.157 1.873 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 7 . 1237 . 1 1 6 THR CB C -4.703 -1.201 3.020 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 7 . 1238 . 1 1 6 THR CG2 C -3.592 -1.792 3.875 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 7 . 1239 . 1 1 6 THR H H -3.989 -1.473 0.191 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 7 . 1240 . 1 1 6 THR HA H -5.183 -3.152 2.280 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 7 . 1241 . 1 1 6 THR HB H -5.573 -1.049 3.642 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 7 . 1242 . 1 1 6 THR HG1 H -4.730 0.770 2.957 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 7 . 1243 . 1 1 6 THR HG21 H -3.264 -1.058 4.597 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 7 . 1244 . 1 1 6 THR HG22 H -2.762 -2.072 3.244 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 7 . 1245 . 1 1 6 THR HG23 H -3.961 -2.664 4.392 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 7 . 1246 . 1 1 6 THR N N -4.040 -2.196 0.851 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 7 . 1247 . 1 1 6 THR O O -6.527 -1.492 0.077 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 7 . 1248 . 1 1 6 THR OG1 O -4.282 0.061 2.489 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 7 . 1249 . 1 1 7 LEU C C -8.739 0.229 1.168 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 7 . 1250 . 1 1 7 LEU CA C -8.756 -1.201 1.698 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 7 . 1251 . 1 1 7 LEU CB C -9.753 -1.317 2.852 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 7 . 1252 . 1 1 7 LEU CD1 C -11.455 -2.752 1.700 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 7 . 1253 . 1 1 7 LEU CD2 C -9.621 -3.814 3.028 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 7 . 1254 . 1 1 7 LEU CG C -10.554 -2.618 2.918 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 7 . 1255 . 1 1 7 LEU H H -7.275 -1.806 3.084 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 7 . 1256 . 1 1 7 LEU HA H -9.061 -1.863 0.901 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 7 . 1257 . 1 1 7 LEU HB2 H -9.202 -1.221 3.775 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1258 . 1 1 7 LEU HB3 H -10.454 -0.499 2.767 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1259 . 1 1 7 LEU HD11 H -11.664 -1.774 1.297 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 7 . 1260 . 1 1 7 LEU HD12 H -12.380 -3.229 1.987 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 7 . 1261 . 1 1 7 LEU HD13 H -10.959 -3.352 0.950 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 7 . 1262 . 1 1 7 LEU HD21 H -9.195 -4.029 2.059 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 7 . 1263 . 1 1 7 LEU HD22 H -10.176 -4.674 3.376 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 7 . 1264 . 1 1 7 LEU HD23 H -8.830 -3.590 3.728 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 7 . 1265 . 1 1 7 LEU HG H -11.184 -2.601 3.797 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 7 . 1266 . 1 1 7 LEU N N -7.426 -1.609 2.136 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 7 . 1267 . 1 1 7 LEU O O -9.413 0.546 0.188 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 7 . 1268 . 1 1 8 GLN C C -6.642 2.700 0.519 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 7 . 1269 . 1 1 8 GLN CA C -7.858 2.484 1.414 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 7 . 1270 . 1 1 8 GLN CB C -7.767 3.390 2.643 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 7 . 1271 . 1 1 8 GLN CD C -9.889 4.689 3.080 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 7 . 1272 . 1 1 8 GLN CG C -9.061 3.470 3.437 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 7 . 1273 . 1 1 8 GLN H H -7.450 0.776 2.595 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 7 . 1274 . 1 1 8 GLN HA H -8.747 2.735 0.858 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 7 . 1275 . 1 1 8 GLN HB2 H -6.992 3.016 3.296 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1276 . 1 1 8 GLN HB3 H -7.505 4.387 2.322 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1277 . 1 1 8 GLN HE21 H -9.587 5.454 4.891 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 7 . 1278 . 1 1 8 GLN HE22 H -10.555 6.409 3.824 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 7 . 1279 . 1 1 8 GLN HG2 H -9.646 2.585 3.237 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 7 . 1280 . 1 1 8 GLN HG3 H -8.821 3.510 4.489 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 7 . 1281 . 1 1 8 GLN N N -7.963 1.088 1.821 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 7 . 1282 . 1 1 8 GLN NE2 N -10.025 5.610 4.028 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 7 . 1283 . 1 1 8 GLN O O -6.192 3.829 0.327 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 7 . 1284 . 1 1 8 GLN OE1 O -10.402 4.801 1.967 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 7 . 1285 . 1 1 9 SER C C -3.831 2.489 -0.250 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 7 . 1286 . 1 1 9 SER CA C -4.948 1.678 -0.900 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 7 . 1287 . 1 1 9 SER CB C -5.328 2.299 -2.246 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 7 . 1288 . 1 1 9 SER H H -6.518 0.736 0.163 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 7 . 1289 . 1 1 9 SER HA H -4.596 0.670 -1.064 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 7 . 1290 . 1 1 9 SER HB2 H -5.270 3.374 -2.173 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1291 . 1 1 9 SER HB3 H -4.642 1.952 -3.005 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1292 . 1 1 9 SER HG H -7.273 2.534 -2.206 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 7 . 1293 . 1 1 9 SER N N -6.114 1.609 -0.028 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 7 . 1294 . 1 1 9 SER O O -3.544 3.614 -0.662 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 7 . 1295 . 1 1 9 SER OG O -6.646 1.937 -2.620 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 7 . 1296 . 1 1 10 CYS C C -0.907 2.761 0.567 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 7 . 1297 . 1 1 10 CYS CA C -2.118 2.577 1.477 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 7 . 1298 . 1 1 10 CYS CB C -1.722 1.774 2.718 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 7 . 1299 . 1 1 10 CYS H H -3.478 1.012 1.051 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 7 . 1300 . 1 1 10 CYS HA H -2.472 3.549 1.786 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 7 . 1301 . 1 1 10 CYS HB2 H -0.905 2.276 3.216 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1302 . 1 1 10 CYS HB3 H -2.567 1.720 3.388 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1303 . 1 1 10 CYS N N -3.204 1.910 0.768 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 7 . 1304 . 1 1 10 CYS O O -0.559 1.871 -0.208 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 7 . 1305 . 1 1 10 CYS SG S -1.188 0.070 2.360 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 7 . 1306 . 1 1 11 PHE C C 2.014 3.206 0.105 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 7 . 1307 . 1 1 11 PHE CA C 0.904 4.224 -0.144 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 7 . 1308 . 1 1 11 PHE CB C 1.412 5.634 0.159 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 7 . 1309 . 1 1 11 PHE CD1 C 0.736 6.874 -1.914 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 7 . 1310 . 1 1 11 PHE CD2 C -0.185 7.570 0.171 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 7 . 1311 . 1 1 11 PHE CE1 C 0.026 7.865 -2.564 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 7 . 1312 . 1 1 11 PHE CE2 C -0.897 8.564 -0.473 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 7 . 1313 . 1 1 11 PHE CG C 0.639 6.714 -0.542 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 7 . 1314 . 1 1 11 PHE CZ C -0.791 8.713 -1.841 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 7 . 1315 . 1 1 11 PHE H H -0.594 4.592 1.307 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 7 . 1316 . 1 1 11 PHE HA H 0.609 4.172 -1.181 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 7 . 1317 . 1 1 11 PHE HB2 H 1.342 5.814 1.222 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1318 . 1 1 11 PHE HB3 H 2.445 5.711 -0.147 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1319 . 1 1 11 PHE HD1 H 1.377 6.211 -2.482 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 7 . 1320 . 1 1 11 PHE HD2 H -0.268 7.456 1.243 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 7 . 1321 . 1 1 11 PHE HE1 H 0.112 7.979 -3.634 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 7 . 1322 . 1 1 11 PHE HE2 H -1.535 9.225 0.095 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 7 . 1323 . 1 1 11 PHE HZ H -1.347 9.488 -2.347 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 7 . 1324 . 1 1 11 PHE N N -0.268 3.922 0.669 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 7 . 1325 . 1 1 11 PHE O O 2.083 2.569 1.155 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 7 . 1326 . 1 1 12 PRO C C 5.081 2.560 0.207 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 7 . 1327 . 1 1 12 PRO CA C 4.028 2.112 -0.801 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 7 . 1328 . 1 1 12 PRO CB C 4.606 2.121 -2.218 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 7 . 1329 . 1 1 12 PRO CD C 2.884 3.777 -2.167 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 7 . 1330 . 1 1 12 PRO CG C 4.217 3.445 -2.778 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 7 . 1331 . 1 1 12 PRO HA H 3.694 1.115 -0.553 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 7 . 1332 . 1 1 12 PRO HB2 H 5.681 2.011 -2.171 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1333 . 1 1 12 PRO HB3 H 4.181 1.310 -2.789 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1334 . 1 1 12 PRO HD2 H 2.797 4.841 -2.005 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 7 . 1335 . 1 1 12 PRO HD3 H 2.082 3.423 -2.797 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 7 . 1336 . 1 1 12 PRO HG2 H 4.950 4.189 -2.505 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 7 . 1337 . 1 1 12 PRO HG3 H 4.130 3.377 -3.852 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 7 . 1338 . 1 1 12 PRO N N 2.904 3.050 -0.887 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 7 . 1339 . 1 1 12 PRO O O 5.082 3.709 0.649 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 7 . 1340 . 1 1 13 ASP C C 8.259 1.071 1.271 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 7 . 1341 . 1 1 13 ASP CA C 7.035 1.948 1.522 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 7 . 1342 . 1 1 13 ASP CB C 6.533 1.745 2.953 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 7 . 1343 . 1 1 13 ASP CG C 5.745 0.461 3.114 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 7 . 1344 . 1 1 13 ASP H H 5.922 0.747 0.180 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 7 . 1345 . 1 1 13 ASP HA H 7.315 2.981 1.391 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 7 . 1346 . 1 1 13 ASP HB2 H 7.381 1.712 3.623 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 7 . 1347 . 1 1 13 ASP HB3 H 5.897 2.575 3.225 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 7 . 1348 . 1 1 13 ASP N N 5.975 1.646 0.567 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 7 . 1349 . 1 1 13 ASP O O 8.719 0.360 2.164 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 7 . 1350 . 1 1 13 ASP OD1 O 6.196 -0.582 2.595 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 7 . 1351 . 1 1 13 ASP OD2 O 4.677 0.498 3.761 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 8 . 1352 . 1 1 1 GLY C C 9.039 -1.206 -0.462 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 8 . 1353 . 1 1 1 GLY CA C 9.826 0.064 -0.207 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 8 . 1354 . 1 1 1 GLY H1 H 9.259 2.096 -0.022 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 8 . 1355 . 1 1 1 GLY HA2 H 10.365 0.327 -1.105 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 8 . 1356 . 1 1 1 GLY HA3 H 10.536 -0.118 0.586 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 8 . 1357 . 1 1 1 GLY N N 8.975 1.177 0.171 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 8 . 1358 . 1 1 1 GLY O O 9.122 -1.790 -1.542 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 8 . 1359 . 1 1 2 ARG C C 6.077 -2.525 -0.113 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 8 . 1360 . 1 1 2 ARG CA C 7.471 -2.847 0.416 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 8 . 1361 . 1 1 2 ARG CB C 7.363 -3.549 1.771 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 8 . 1362 . 1 1 2 ARG CD C 8.005 -5.718 2.867 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 8 . 1363 . 1 1 2 ARG CG C 8.486 -4.539 2.035 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 8 . 1364 . 1 1 2 ARG CZ C 7.631 -6.261 5.235 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 8 . 1365 . 1 1 2 ARG H H 8.248 -1.127 1.373 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 8 . 1366 . 1 1 2 ARG HA H 7.965 -3.504 -0.282 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 8 . 1367 . 1 1 2 ARG HB2 H 7.379 -2.803 2.552 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1368 . 1 1 2 ARG HB3 H 6.425 -4.082 1.813 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1369 . 1 1 2 ARG HD2 H 7.049 -6.044 2.484 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 8 . 1370 . 1 1 2 ARG HD3 H 8.722 -6.520 2.777 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 8 . 1371 . 1 1 2 ARG HE H 7.929 -4.423 4.520 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 8 . 1372 . 1 1 2 ARG HG2 H 8.858 -4.907 1.090 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 8 . 1373 . 1 1 2 ARG HG3 H 9.280 -4.035 2.565 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 8 . 1374 . 1 1 2 ARG HH11 H 7.622 -7.849 3.987 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 8 . 1375 . 1 1 2 ARG HH12 H 7.359 -8.218 5.658 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 8 . 1376 . 1 1 2 ARG HH21 H 7.584 -4.896 6.725 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 8 . 1377 . 1 1 2 ARG HH22 H 7.338 -6.538 7.215 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 8 . 1378 . 1 1 2 ARG N N 8.273 -1.635 0.536 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 8 . 1379 . 1 1 2 ARG NE N 7.856 -5.369 4.277 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 8 . 1380 . 1 1 2 ARG NH1 N 7.528 -7.549 4.935 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 8 . 1381 . 1 1 2 ARG NH2 N 7.507 -5.866 6.496 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 8 . 1382 . 1 1 2 ARG O O 5.603 -1.390 -0.037 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 8 . 1383 . 1 1 3 PRO C C 3.005 -3.160 -0.138 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 8 . 1384 . 1 1 3 PRO CA C 4.054 -3.395 -1.220 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 8 . 1385 . 1 1 3 PRO CB C 3.808 -4.733 -1.921 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 8 . 1386 . 1 1 3 PRO CD C 5.906 -4.923 -0.791 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 8 . 1387 . 1 1 3 PRO CG C 4.689 -5.701 -1.210 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 8 . 1388 . 1 1 3 PRO HA H 4.008 -2.594 -1.943 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 8 . 1389 . 1 1 3 PRO HB2 H 2.766 -5.004 -1.828 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1390 . 1 1 3 PRO HB3 H 4.073 -4.651 -2.964 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1391 . 1 1 3 PRO HD2 H 6.278 -5.285 0.155 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 8 . 1392 . 1 1 3 PRO HD3 H 6.673 -4.986 -1.549 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 8 . 1393 . 1 1 3 PRO HG2 H 4.180 -6.094 -0.344 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 8 . 1394 . 1 1 3 PRO HG3 H 4.969 -6.502 -1.878 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 8 . 1395 . 1 1 3 PRO N N 5.403 -3.545 -0.666 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 8 . 1396 . 1 1 3 PRO O O 2.869 -3.956 0.792 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 8 . 1397 . 1 1 4 CYS C C -0.137 -1.646 0.029 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 8 . 1398 . 1 1 4 CYS CA C 1.230 -1.722 0.702 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 8 . 1399 . 1 1 4 CYS CB C 1.553 -0.389 1.380 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 8 . 1400 . 1 1 4 CYS H H 2.422 -1.467 -1.028 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 8 . 1401 . 1 1 4 CYS HA H 1.206 -2.500 1.451 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 8 . 1402 . 1 1 4 CYS HB2 H 2.614 -0.201 1.300 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1403 . 1 1 4 CYS HB3 H 1.015 0.401 0.877 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1404 . 1 1 4 CYS N N 2.266 -2.063 -0.264 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 8 . 1405 . 1 1 4 CYS O O -0.504 -0.619 -0.542 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 8 . 1406 . 1 1 4 CYS SG S 1.112 -0.325 3.146 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 8 . 1407 . 1 1 5 TYR C C -3.281 -3.078 0.553 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 8 . 1408 . 1 1 5 TYR CA C -2.214 -2.797 -0.502 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 8 . 1409 . 1 1 5 TYR CB C -2.258 -3.877 -1.584 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 8 . 1410 . 1 1 5 TYR CD1 C -1.210 -2.600 -3.495 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 8 . 1411 . 1 1 5 TYR CD2 C -0.194 -4.648 -2.819 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 8 . 1412 . 1 1 5 TYR CE1 C -0.246 -2.440 -4.473 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 8 . 1413 . 1 1 5 TYR CE2 C 0.774 -4.495 -3.793 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 8 . 1414 . 1 1 5 TYR CG C -1.201 -3.705 -2.653 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 8 . 1415 . 1 1 5 TYR CZ C 0.743 -3.389 -4.617 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 8 . 1416 . 1 1 5 TYR H H -0.541 -3.527 0.572 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 8 . 1417 . 1 1 5 TYR HA H -2.415 -1.838 -0.954 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 8 . 1418 . 1 1 5 TYR HB2 H -2.111 -4.843 -1.127 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1419 . 1 1 5 TYR HB3 H -3.223 -3.854 -2.067 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1420 . 1 1 5 TYR HD1 H -1.986 -1.858 -3.379 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 8 . 1421 . 1 1 5 TYR HD2 H -0.173 -5.513 -2.172 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 8 . 1422 . 1 1 5 TYR HE1 H -0.270 -1.574 -5.118 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 8 . 1423 . 1 1 5 TYR HE2 H 1.549 -5.239 -3.907 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 8 . 1424 . 1 1 5 TYR HH H 1.542 -3.855 -6.303 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 8 . 1425 . 1 1 5 TYR N N -0.888 -2.739 0.102 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 8 . 1426 . 1 1 5 TYR O O -3.228 -4.088 1.256 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 8 . 1427 . 1 1 5 TYR OH O 1.705 -3.234 -5.589 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 8 . 1428 . 1 1 6 THR C C -6.606 -1.649 1.133 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 8 . 1429 . 1 1 6 THR CA C -5.329 -2.320 1.628 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 8 . 1430 . 1 1 6 THR CB C -4.943 -1.723 2.994 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 8 . 1431 . 1 1 6 THR CG2 C -3.771 -2.476 3.602 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 8 . 1432 . 1 1 6 THR H H -4.237 -1.389 0.072 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 8 . 1433 . 1 1 6 THR HA H -5.517 -3.376 1.760 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 8 . 1434 . 1 1 6 THR HB H -5.791 -1.808 3.659 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 8 . 1435 . 1 1 6 THR HG1 H -5.203 0.195 3.372 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 8 . 1436 . 1 1 6 THR HG21 H -2.909 -2.382 2.957 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 8 . 1437 . 1 1 6 THR HG22 H -4.029 -3.519 3.709 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 8 . 1438 . 1 1 6 THR HG23 H -3.540 -2.060 4.571 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 8 . 1439 . 1 1 6 THR N N -4.250 -2.174 0.659 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 8 . 1440 . 1 1 6 THR O O -6.630 -1.055 0.056 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 8 . 1441 . 1 1 6 THR OG1 O -4.605 -0.339 2.845 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 8 . 1442 . 1 1 7 LEU C C -8.806 0.357 1.370 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 8 . 1443 . 1 1 7 LEU CA C -8.947 -1.148 1.572 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 8 . 1444 . 1 1 7 LEU CB C -9.985 -1.433 2.659 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 8 . 1445 . 1 1 7 LEU CD1 C -11.939 -2.453 1.465 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 8 . 1446 . 1 1 7 LEU CD2 C -12.318 -1.024 3.483 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 8 . 1447 . 1 1 7 LEU CG C -11.448 -1.250 2.254 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 8 . 1448 . 1 1 7 LEU H H -7.585 -2.233 2.775 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 8 . 1449 . 1 1 7 LEU HA H -9.275 -1.594 0.646 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 8 . 1450 . 1 1 7 LEU HB2 H -9.857 -2.456 2.978 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1451 . 1 1 7 LEU HB3 H -9.785 -0.771 3.489 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1452 . 1 1 7 LEU HD11 H -11.392 -3.332 1.771 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 8 . 1453 . 1 1 7 LEU HD12 H -11.784 -2.281 0.411 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 8 . 1454 . 1 1 7 LEU HD13 H -12.993 -2.602 1.653 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 8 . 1455 . 1 1 7 LEU HD21 H -12.000 -0.123 3.986 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 8 . 1456 . 1 1 7 LEU HD22 H -12.218 -1.865 4.153 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 8 . 1457 . 1 1 7 LEU HD23 H -13.349 -0.923 3.180 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 8 . 1458 . 1 1 7 LEU HG H -11.532 -0.379 1.619 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 8 . 1459 . 1 1 7 LEU N N -7.665 -1.747 1.929 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 8 . 1460 . 1 1 7 LEU O O -9.505 0.950 0.548 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 8 . 1461 . 1 1 8 GLN C C -6.555 2.710 1.031 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 8 . 1462 . 1 1 8 GLN CA C -7.668 2.405 2.028 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 8 . 1463 . 1 1 8 GLN CB C -7.312 2.981 3.400 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 8 . 1464 . 1 1 8 GLN CD C -9.525 3.806 4.294 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 8 . 1465 . 1 1 8 GLN CG C -8.405 2.796 4.440 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 8 . 1466 . 1 1 8 GLN H H -7.375 0.442 2.763 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 8 . 1467 . 1 1 8 GLN HA H -8.580 2.865 1.681 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 8 . 1468 . 1 1 8 GLN HB2 H -6.417 2.495 3.759 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1469 . 1 1 8 GLN HB3 H -7.120 4.038 3.295 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1470 . 1 1 8 GLN HE21 H -9.043 4.627 6.040 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 8 . 1471 . 1 1 8 GLN HE22 H -10.379 5.348 5.216 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 8 . 1472 . 1 1 8 GLN HG2 H -8.821 1.804 4.334 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 8 . 1473 . 1 1 8 GLN HG3 H -7.970 2.899 5.423 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 8 . 1474 . 1 1 8 GLN N N -7.900 0.969 2.125 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 8 . 1475 . 1 1 8 GLN NE2 N -9.664 4.683 5.283 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 8 . 1476 . 1 1 8 GLN O O -5.980 3.800 1.040 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 8 . 1477 . 1 1 8 GLN OE1 O -10.258 3.802 3.305 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 8 . 1478 . 1 1 9 SER C C -3.935 2.468 -0.197 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 8 . 1479 . 1 1 9 SER CA C -5.205 1.904 -0.828 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 8 . 1480 . 1 1 9 SER CB C -5.683 2.825 -1.951 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 8 . 1481 . 1 1 9 SER H H -6.746 0.895 0.216 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 8 . 1482 . 1 1 9 SER HA H -4.986 0.930 -1.240 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 8 . 1483 . 1 1 9 SER HB2 H -4.948 2.836 -2.742 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1484 . 1 1 9 SER HB3 H -6.623 2.459 -2.339 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1485 . 1 1 9 SER HG H -5.771 4.764 -2.213 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 8 . 1486 . 1 1 9 SER N N -6.253 1.740 0.173 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 8 . 1487 . 1 1 9 SER O O -3.579 3.626 -0.418 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 8 . 1488 . 1 1 9 SER OG O -5.867 4.150 -1.483 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 8 . 1489 . 1 1 10 CYS C C -0.959 2.441 0.232 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 8 . 1490 . 1 1 10 CYS CA C -2.025 2.055 1.254 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 8 . 1491 . 1 1 10 CYS CB C -1.503 0.932 2.152 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 8 . 1492 . 1 1 10 CYS H H -3.589 0.729 0.728 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 8 . 1493 . 1 1 10 CYS HA H -2.251 2.916 1.863 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 8 . 1494 . 1 1 10 CYS HB2 H -2.307 0.585 2.785 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1495 . 1 1 10 CYS HB3 H -1.161 0.116 1.533 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1496 . 1 1 10 CYS N N -3.255 1.641 0.590 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 8 . 1497 . 1 1 10 CYS O O -0.943 1.930 -0.888 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 8 . 1498 . 1 1 10 CYS SG S -0.123 1.425 3.233 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 8 . 1499 . 1 1 11 PHE C C 2.247 2.940 -0.086 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 8 . 1500 . 1 1 11 PHE CA C 0.999 3.802 -0.253 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 8 . 1501 . 1 1 11 PHE CB C 1.335 5.267 0.034 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 8 . 1502 . 1 1 11 PHE CD1 C -0.834 6.473 -0.332 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 8 . 1503 . 1 1 11 PHE CD2 C 0.975 6.919 -1.820 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 8 . 1504 . 1 1 11 PHE CE1 C -1.629 7.366 -1.026 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 8 . 1505 . 1 1 11 PHE CE2 C 0.186 7.814 -2.517 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 8 . 1506 . 1 1 11 PHE CG C 0.475 6.239 -0.721 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 8 . 1507 . 1 1 11 PHE CZ C -1.118 8.038 -2.119 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 8 . 1508 . 1 1 11 PHE H H -0.135 3.717 1.533 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 8 . 1509 . 1 1 11 PHE HA H 0.651 3.715 -1.271 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 8 . 1510 . 1 1 11 PHE HB2 H 1.205 5.458 1.088 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1511 . 1 1 11 PHE HB3 H 2.365 5.452 -0.236 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1512 . 1 1 11 PHE HD1 H -1.235 5.949 0.524 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 8 . 1513 . 1 1 11 PHE HD2 H 1.995 6.744 -2.132 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 8 . 1514 . 1 1 11 PHE HE1 H -2.647 7.540 -0.712 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 8 . 1515 . 1 1 11 PHE HE2 H 0.588 8.337 -3.372 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 8 . 1516 . 1 1 11 PHE HZ H -1.737 8.737 -2.663 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 8 . 1517 . 1 1 11 PHE N N -0.070 3.347 0.627 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 8 . 1518 . 1 1 11 PHE O O 2.466 2.316 0.953 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 8 . 1519 . 1 1 12 PRO C C 5.373 2.702 -0.183 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 8 . 1520 . 1 1 12 PRO CA C 4.325 2.120 -1.126 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 8 . 1521 . 1 1 12 PRO CB C 4.805 2.206 -2.576 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 8 . 1522 . 1 1 12 PRO CD C 2.887 3.621 -2.402 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 8 . 1523 . 1 1 12 PRO CG C 4.210 3.467 -3.099 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 8 . 1524 . 1 1 12 PRO HA H 4.141 1.088 -0.866 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 8 . 1525 . 1 1 12 PRO HB2 H 5.886 2.237 -2.600 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1526 . 1 1 12 PRO HB3 H 4.454 1.345 -3.127 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1527 . 1 1 12 PRO HD2 H 2.673 4.664 -2.225 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 8 . 1528 . 1 1 12 PRO HD3 H 2.099 3.165 -2.983 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 8 . 1529 . 1 1 12 PRO HG2 H 4.856 4.300 -2.867 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 8 . 1530 . 1 1 12 PRO HG3 H 4.064 3.389 -4.167 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 8 . 1531 . 1 1 12 PRO N N 3.085 2.902 -1.132 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 8 . 1532 . 1 1 12 PRO O O 5.503 3.920 -0.061 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 8 . 1533 . 1 1 13 ASP C C 8.360 1.319 1.347 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 8 . 1534 . 1 1 13 ASP CA C 7.155 2.251 1.412 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 8 . 1535 . 1 1 13 ASP CB C 6.604 2.294 2.839 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 8 . 1536 . 1 1 13 ASP CG C 5.842 3.573 3.128 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 8 . 1537 . 1 1 13 ASP H H 5.964 0.866 0.341 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 8 . 1538 . 1 1 13 ASP HA H 7.468 3.245 1.127 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 8 . 1539 . 1 1 13 ASP HB2 H 5.935 1.458 2.985 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 8 . 1540 . 1 1 13 ASP HB3 H 7.424 2.219 3.537 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 8 . 1541 . 1 1 13 ASP N N 6.117 1.825 0.481 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 8 . 1542 . 1 1 13 ASP O O 8.821 0.812 2.370 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 8 . 1543 . 1 1 13 ASP OD1 O 6.155 4.604 2.499 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 8 . 1544 . 1 1 13 ASP OD2 O 4.932 3.541 3.984 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 9 . 1545 . 1 1 1 GLY C C 9.097 -0.850 -0.661 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 9 . 1546 . 1 1 1 GLY CA C 9.847 0.341 -0.099 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 9 . 1547 . 1 1 1 GLY H1 H 9.034 2.276 0.187 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 9 . 1548 . 1 1 1 GLY HA2 H 10.424 0.797 -0.889 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 9 . 1549 . 1 1 1 GLY HA3 H 10.521 -0.004 0.673 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 9 . 1550 . 1 1 1 GLY N N 8.960 1.340 0.469 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 9 . 1551 . 1 1 1 GLY O O 9.073 -1.060 -1.874 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 9 . 1552 . 1 1 2 ARG C C 6.265 -2.458 -0.442 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 9 . 1553 . 1 1 2 ARG CA C 7.730 -2.808 -0.193 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 9 . 1554 . 1 1 2 ARG CB C 7.830 -3.905 0.869 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 9 . 1555 . 1 1 2 ARG CD C 9.454 -3.320 2.695 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 9 . 1556 . 1 1 2 ARG CG C 9.237 -4.101 1.410 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 9 . 1557 . 1 1 2 ARG CZ C 10.947 -3.401 4.648 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 9 . 1558 . 1 1 2 ARG H H 8.537 -1.410 1.175 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 9 . 1559 . 1 1 2 ARG HA H 8.163 -3.170 -1.114 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 9 . 1560 . 1 1 2 ARG HB2 H 7.183 -3.649 1.695 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1561 . 1 1 2 ARG HB3 H 7.500 -4.837 0.438 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1562 . 1 1 2 ARG HD2 H 9.840 -2.342 2.447 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 9 . 1563 . 1 1 2 ARG HD3 H 8.505 -3.213 3.201 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 9 . 1564 . 1 1 2 ARG HE H 10.627 -4.919 3.392 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 9 . 1565 . 1 1 2 ARG HG2 H 9.391 -5.151 1.610 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 9 . 1566 . 1 1 2 ARG HG3 H 9.947 -3.765 0.669 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 9 . 1567 . 1 1 2 ARG HH11 H 10.012 -1.633 4.366 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 9 . 1568 . 1 1 2 ARG HH12 H 11.067 -1.703 5.738 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 9 . 1569 . 1 1 2 ARG HH21 H 12.020 -5.024 5.195 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 9 . 1570 . 1 1 2 ARG HH22 H 12.209 -3.633 6.208 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 9 . 1571 . 1 1 2 ARG N N 8.483 -1.631 0.222 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 9 . 1572 . 1 1 2 ARG NE N 10.395 -3.987 3.590 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 9 . 1573 . 1 1 2 ARG NH1 N 10.651 -2.143 4.941 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 9 . 1574 . 1 1 2 ARG NH2 N 11.795 -4.075 5.414 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 9 . 1575 . 1 1 2 ARG O O 5.723 -1.513 0.130 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 9 . 1576 . 1 1 3 PRO C C 3.266 -3.370 -0.505 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 9 . 1577 . 1 1 3 PRO CA C 4.201 -3.028 -1.660 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 9 . 1578 . 1 1 3 PRO CB C 3.977 -3.988 -2.832 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 9 . 1579 . 1 1 3 PRO CD C 6.196 -4.381 -2.035 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 9 . 1580 . 1 1 3 PRO CG C 5.000 -5.055 -2.649 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 9 . 1581 . 1 1 3 PRO HA H 4.017 -2.013 -1.983 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 9 . 1582 . 1 1 3 PRO HB2 H 2.974 -4.389 -2.785 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1583 . 1 1 3 PRO HB3 H 4.117 -3.462 -3.764 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1584 . 1 1 3 PRO HD2 H 6.697 -5.051 -1.351 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 9 . 1585 . 1 1 3 PRO HD3 H 6.876 -4.045 -2.803 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 9 . 1586 . 1 1 3 PRO HG2 H 4.620 -5.819 -1.988 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 9 . 1587 . 1 1 3 PRO HG3 H 5.260 -5.480 -3.606 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 9 . 1588 . 1 1 3 PRO N N 5.611 -3.237 -1.315 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 9 . 1589 . 1 1 3 PRO O O 3.503 -4.321 0.239 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 9 . 1590 . 1 1 4 CYS C C -0.158 -3.068 0.127 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 9 . 1591 . 1 1 4 CYS CA C 1.229 -2.806 0.704 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 9 . 1592 . 1 1 4 CYS CB C 1.185 -1.595 1.639 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 9 . 1593 . 1 1 4 CYS H H 2.066 -1.843 -0.985 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 9 . 1594 . 1 1 4 CYS HA H 1.542 -3.672 1.266 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 9 . 1595 . 1 1 4 CYS HB2 H 0.456 -1.777 2.416 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1596 . 1 1 4 CYS HB3 H 2.158 -1.462 2.089 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1597 . 1 1 4 CYS N N 2.202 -2.587 -0.360 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 9 . 1598 . 1 1 4 CYS O O -0.487 -2.604 -0.965 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 9 . 1599 . 1 1 4 CYS SG S 0.736 -0.035 0.814 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 9 . 1600 . 1 1 5 TYR C C -3.356 -3.621 1.424 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 9 . 1601 . 1 1 5 TYR CA C -2.321 -4.141 0.431 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 9 . 1602 . 1 1 5 TYR CB C -2.474 -5.653 0.263 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 9 . 1603 . 1 1 5 TYR CD1 C -1.025 -5.904 -1.788 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 9 . 1604 . 1 1 5 TYR CD2 C -0.567 -7.299 0.089 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 9 . 1605 . 1 1 5 TYR CE1 C 0.016 -6.490 -2.484 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 9 . 1606 . 1 1 5 TYR CE2 C 0.476 -7.890 -0.598 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 9 . 1607 . 1 1 5 TYR CG C -1.335 -6.298 -0.493 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 9 . 1608 . 1 1 5 TYR CZ C 0.764 -7.482 -1.884 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 9 . 1609 . 1 1 5 TYR H H -0.651 -4.156 1.731 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 9 . 1610 . 1 1 5 TYR HA H -2.485 -3.664 -0.524 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 9 . 1611 . 1 1 5 TYR HB2 H -2.526 -6.114 1.238 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1612 . 1 1 5 TYR HB3 H -3.388 -5.859 -0.274 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1613 . 1 1 5 TYR HD1 H -1.611 -5.126 -2.255 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 9 . 1614 . 1 1 5 TYR HD2 H -0.794 -7.616 1.096 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 9 . 1615 . 1 1 5 TYR HE1 H 0.241 -6.171 -3.491 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 9 . 1616 . 1 1 5 TYR HE2 H 1.061 -8.667 -0.129 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 9 . 1617 . 1 1 5 TYR HH H 2.086 -8.859 -2.109 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 9 . 1618 . 1 1 5 TYR N N -0.969 -3.814 0.869 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 9 . 1619 . 1 1 5 TYR O O -3.472 -4.126 2.541 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 9 . 1620 . 1 1 5 TYR OH O 1.801 -8.067 -2.573 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 9 . 1621 . 1 1 6 THR C C -6.358 -1.612 1.046 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 9 . 1622 . 1 1 6 THR CA C -5.133 -2.016 1.859 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 9 . 1623 . 1 1 6 THR CB C -4.598 -0.781 2.609 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 9 . 1624 . 1 1 6 THR CG2 C -3.270 -1.090 3.282 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 9 . 1625 . 1 1 6 THR H H -3.968 -2.247 0.108 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 9 . 1626 . 1 1 6 THR HA H -5.426 -2.755 2.591 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 9 . 1627 . 1 1 6 THR HB H -5.315 -0.502 3.369 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 9 . 1628 . 1 1 6 THR HG1 H -4.521 1.141 2.174 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 9 . 1629 . 1 1 6 THR HG21 H -2.496 -1.170 2.533 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 9 . 1630 . 1 1 6 THR HG22 H -3.348 -2.022 3.821 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 9 . 1631 . 1 1 6 THR HG23 H -3.023 -0.296 3.971 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 9 . 1632 . 1 1 6 THR N N -4.108 -2.606 1.008 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 9 . 1633 . 1 1 6 THR O O -6.267 -1.385 -0.161 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 9 . 1634 . 1 1 6 THR OG1 O -4.433 0.311 1.698 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 9 . 1635 . 1 1 7 LEU C C -8.883 0.373 0.978 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 9 . 1636 . 1 1 7 LEU CA C -8.747 -1.144 1.052 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 9 . 1637 . 1 1 7 LEU CB C -9.943 -1.741 1.795 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 9 . 1638 . 1 1 7 LEU CD1 C -11.265 -3.777 2.417 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 9 . 1639 . 1 1 7 LEU CD2 C -11.076 -3.098 0.017 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 9 . 1640 . 1 1 7 LEU CG C -10.368 -3.144 1.365 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 9 . 1641 . 1 1 7 LEU H H -7.513 -1.715 2.674 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 9 . 1642 . 1 1 7 LEU HA H -8.722 -1.541 0.049 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 9 . 1643 . 1 1 7 LEU HB2 H -9.696 -1.777 2.845 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1644 . 1 1 7 LEU HB3 H -10.786 -1.079 1.648 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1645 . 1 1 7 LEU HD11 H -10.999 -3.397 3.392 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 9 . 1646 . 1 1 7 LEU HD12 H -11.138 -4.850 2.401 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 9 . 1647 . 1 1 7 LEU HD13 H -12.296 -3.535 2.205 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 9 . 1648 . 1 1 7 LEU HD21 H -11.679 -2.205 -0.042 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 9 . 1649 . 1 1 7 LEU HD22 H -11.709 -3.967 -0.087 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 9 . 1650 . 1 1 7 LEU HD23 H -10.341 -3.090 -0.774 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 9 . 1651 . 1 1 7 LEU HG H -9.489 -3.765 1.261 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 9 . 1652 . 1 1 7 LEU N N -7.502 -1.523 1.714 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 9 . 1653 . 1 1 7 LEU O O -9.567 0.901 0.100 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 9 . 1654 . 1 1 8 GLN C C -7.150 3.128 1.110 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 9 . 1655 . 1 1 8 GLN CA C -8.278 2.525 1.940 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 9 . 1656 . 1 1 8 GLN CB C -8.189 3.023 3.384 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 9 . 1657 . 1 1 8 GLN CD C -9.944 1.774 4.705 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 9 . 1658 . 1 1 8 GLN CG C -9.535 3.097 4.086 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 9 . 1659 . 1 1 8 GLN H H -7.702 0.590 2.576 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 9 . 1660 . 1 1 8 GLN HA H -9.223 2.835 1.521 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 9 . 1661 . 1 1 8 GLN HB2 H -7.551 2.355 3.943 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1662 . 1 1 8 GLN HB3 H -7.751 4.010 3.385 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1663 . 1 1 8 GLN HE21 H -11.453 1.613 3.420 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 9 . 1664 . 1 1 8 GLN HE22 H -11.290 0.318 4.552 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 9 . 1665 . 1 1 8 GLN HG2 H -9.478 3.839 4.869 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 9 . 1666 . 1 1 8 GLN HG3 H -10.285 3.389 3.368 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 9 . 1667 . 1 1 8 GLN N N -8.230 1.068 1.903 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 9 . 1668 . 1 1 8 GLN NE2 N -11.003 1.175 4.173 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 9 . 1669 . 1 1 8 GLN O O -6.811 4.302 1.267 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 9 . 1670 . 1 1 8 GLN OE1 O -9.316 1.296 5.650 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 9 . 1671 . 1 1 9 SER C C -4.258 3.146 0.213 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 9 . 1672 . 1 1 9 SER CA C -5.478 2.772 -0.622 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 9 . 1673 . 1 1 9 SER CB C -5.922 3.971 -1.463 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 9 . 1674 . 1 1 9 SER H H -6.886 1.394 0.151 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 9 . 1675 . 1 1 9 SER HA H -5.213 1.959 -1.282 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 9 . 1676 . 1 1 9 SER HB2 H -5.714 4.883 -0.923 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1677 . 1 1 9 SER HB3 H -5.377 3.974 -2.396 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1678 . 1 1 9 SER HG H -7.723 4.741 -1.493 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 9 . 1679 . 1 1 9 SER N N -6.572 2.319 0.229 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 9 . 1680 . 1 1 9 SER O O -4.230 4.195 0.857 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 9 . 1681 . 1 1 9 SER OG O -7.309 3.912 -1.743 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 9 . 1682 . 1 1 10 CYS C C -0.847 2.761 0.017 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 9 . 1683 . 1 1 10 CYS CA C -2.027 2.517 0.955 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 9 . 1684 . 1 1 10 CYS CB C -1.728 1.326 1.868 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 9 . 1685 . 1 1 10 CYS H H -3.332 1.460 -0.334 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 9 . 1686 . 1 1 10 CYS HA H -2.176 3.396 1.561 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 9 . 1687 . 1 1 10 CYS HB2 H -2.337 1.403 2.757 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1688 . 1 1 10 CYS HB3 H -1.975 0.412 1.348 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1689 . 1 1 10 CYS N N -3.250 2.279 0.199 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 9 . 1690 . 1 1 10 CYS O O -0.719 2.110 -1.020 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 9 . 1691 . 1 1 10 CYS SG S 0.011 1.212 2.397 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 9 . 1692 . 1 1 11 PHE C C 2.339 3.087 -0.110 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 9 . 1693 . 1 1 11 PHE CA C 1.181 4.034 -0.416 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 9 . 1694 . 1 1 11 PHE CB C 1.611 5.481 -0.161 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 9 . 1695 . 1 1 11 PHE CD1 C 0.494 6.629 -2.092 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 9 . 1696 . 1 1 11 PHE CD2 C -0.076 7.317 0.118 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 9 . 1697 . 1 1 11 PHE CE1 C -0.383 7.563 -2.614 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 9 . 1698 . 1 1 11 PHE CE2 C -0.955 8.252 -0.396 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 9 . 1699 . 1 1 11 PHE CG C 0.657 6.496 -0.723 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 9 . 1700 . 1 1 11 PHE CZ C -1.107 8.375 -1.764 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 9 . 1701 . 1 1 11 PHE H H -0.143 4.186 1.229 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 9 . 1702 . 1 1 11 PHE HA H 0.908 3.926 -1.453 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 9 . 1703 . 1 1 11 PHE HB2 H 1.680 5.646 0.904 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1704 . 1 1 11 PHE HB3 H 2.577 5.647 -0.610 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1705 . 1 1 11 PHE HD1 H 1.061 5.993 -2.758 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 9 . 1706 . 1 1 11 PHE HD2 H 0.042 7.223 1.188 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 9 . 1707 . 1 1 11 PHE HE1 H -0.499 7.656 -3.683 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 9 . 1708 . 1 1 11 PHE HE2 H -1.521 8.887 0.269 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 9 . 1709 . 1 1 11 PHE HZ H -1.794 9.105 -2.169 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 9 . 1710 . 1 1 11 PHE N N 0.013 3.703 0.391 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 9 . 1711 . 1 1 11 PHE O O 2.430 2.505 0.971 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 9 . 1712 . 1 1 12 PRO C C 5.433 2.603 0.047 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 9 . 1713 . 1 1 12 PRO CA C 4.415 2.055 -0.946 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 9 . 1714 . 1 1 12 PRO CB C 5.006 2.024 -2.358 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 9 . 1715 . 1 1 12 PRO CD C 3.201 3.591 -2.400 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 9 . 1716 . 1 1 12 PRO CG C 4.555 3.298 -2.984 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 9 . 1717 . 1 1 12 PRO HA H 4.129 1.055 -0.651 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 9 . 1718 . 1 1 12 PRO HB2 H 6.084 1.971 -2.297 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1719 . 1 1 12 PRO HB3 H 4.626 1.166 -2.892 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1720 . 1 1 12 PRO HD2 H 3.060 4.656 -2.290 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 9 . 1721 . 1 1 12 PRO HD3 H 2.423 3.168 -3.018 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 9 . 1722 . 1 1 12 PRO HG2 H 5.247 4.091 -2.744 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 9 . 1723 . 1 1 12 PRO HG3 H 4.482 3.174 -4.055 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 9 . 1724 . 1 1 12 PRO N N 3.246 2.929 -1.086 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 9 . 1725 . 1 1 12 PRO O O 5.650 3.813 0.125 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 9 . 1726 . 1 1 13 ASP C C 8.328 1.272 1.639 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 9 . 1727 . 1 1 13 ASP CA C 7.056 2.102 1.790 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 9 . 1728 . 1 1 13 ASP CB C 6.496 1.945 3.205 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 9 . 1729 . 1 1 13 ASP CG C 5.624 0.713 3.349 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 9 . 1730 . 1 1 13 ASP H H 5.842 0.757 0.694 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 9 . 1731 . 1 1 13 ASP HA H 7.296 3.141 1.621 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 9 . 1732 . 1 1 13 ASP HB2 H 7.316 1.866 3.903 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 9 . 1733 . 1 1 13 ASP HB3 H 5.903 2.814 3.449 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 9 . 1734 . 1 1 13 ASP N N 6.057 1.707 0.803 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 9 . 1735 . 1 1 13 ASP O O 8.660 0.464 2.506 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 9 . 1736 . 1 1 13 ASP OD1 O 6.009 -0.351 2.822 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 9 . 1737 . 1 1 13 ASP OD2 O 4.555 0.813 3.988 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 10 . 1738 . 1 1 1 GLY C C 8.848 -1.184 -0.611 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 10 . 1739 . 1 1 1 GLY CA C 9.680 0.065 -0.398 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 10 . 1740 . 1 1 1 GLY H1 H 9.037 2.070 -0.178 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 10 . 1741 . 1 1 1 GLY HA2 H 10.093 0.376 -1.346 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 10 . 1742 . 1 1 1 GLY HA3 H 10.490 -0.167 0.279 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 10 . 1743 . 1 1 1 GLY N N 8.905 1.159 0.158 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 10 . 1744 . 1 1 1 GLY O O 8.700 -1.654 -1.739 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 10 . 1745 . 1 1 2 ARG C C 6.109 -2.616 -0.172 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 10 . 1746 . 1 1 2 ARG CA C 7.487 -2.929 0.402 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 10 . 1747 . 1 1 2 ARG CB C 7.343 -3.558 1.789 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 10 . 1748 . 1 1 2 ARG CD C 8.152 -5.322 3.387 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 10 . 1749 . 1 1 2 ARG CG C 8.485 -4.493 2.157 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 10 . 1750 . 1 1 2 ARG CZ C 8.587 -5.183 5.803 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 10 . 1751 . 1 1 2 ARG H H 8.461 -1.304 1.348 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 10 . 1752 . 1 1 2 ARG HA H 7.986 -3.630 -0.251 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 10 . 1753 . 1 1 2 ARG HB2 H 7.302 -2.770 2.527 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1754 . 1 1 2 ARG HB3 H 6.422 -4.120 1.822 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1755 . 1 1 2 ARG HD2 H 7.106 -5.589 3.353 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 10 . 1756 . 1 1 2 ARG HD3 H 8.753 -6.219 3.373 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 10 . 1757 . 1 1 2 ARG HE H 8.466 -3.616 4.575 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 10 . 1758 . 1 1 2 ARG HG2 H 8.672 -5.159 1.328 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 10 . 1759 . 1 1 2 ARG HG3 H 9.368 -3.905 2.357 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 10 . 1760 . 1 1 2 ARG HH11 H 8.347 -7.057 5.088 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 10 . 1761 . 1 1 2 ARG HH12 H 8.654 -6.945 6.790 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 10 . 1762 . 1 1 2 ARG HH21 H 8.871 -3.456 6.814 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 10 . 1763 . 1 1 2 ARG HH22 H 8.951 -4.896 7.770 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 10 . 1764 . 1 1 2 ARG N N 8.306 -1.725 0.475 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 10 . 1765 . 1 1 2 ARG NE N 8.415 -4.593 4.625 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 10 . 1766 . 1 1 2 ARG NH1 N 8.523 -6.504 5.902 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 10 . 1767 . 1 1 2 ARG NH2 N 8.823 -4.451 6.884 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 10 . 1768 . 1 1 2 ARG O O 5.653 -1.473 -0.167 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 10 . 1769 . 1 1 3 PRO C C 3.030 -3.204 -0.220 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 10 . 1770 . 1 1 3 PRO CA C 4.093 -3.515 -1.267 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 10 . 1771 . 1 1 3 PRO CB C 3.839 -4.886 -1.898 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 10 . 1772 . 1 1 3 PRO CD C 5.912 -5.045 -0.719 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 10 . 1773 . 1 1 3 PRO CG C 4.690 -5.827 -1.118 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 10 . 1774 . 1 1 3 PRO HA H 4.075 -2.755 -2.034 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 10 . 1775 . 1 1 3 PRO HB2 H 2.791 -5.136 -1.811 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1776 . 1 1 3 PRO HB3 H 4.124 -4.866 -2.939 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1777 . 1 1 3 PRO HD2 H 6.260 -5.360 0.253 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 10 . 1778 . 1 1 3 PRO HD3 H 6.692 -5.161 -1.458 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 10 . 1779 . 1 1 3 PRO HG2 H 4.158 -6.164 -0.241 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 10 . 1780 . 1 1 3 PRO HG3 H 4.970 -6.667 -1.736 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 10 . 1781 . 1 1 3 PRO N N 5.429 -3.654 -0.679 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 10 . 1782 . 1 1 3 PRO O O 2.852 -3.954 0.741 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 10 . 1783 . 1 1 4 CYS C C -0.098 -1.772 -0.143 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 10 . 1784 . 1 1 4 CYS CA C 1.275 -1.685 0.515 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 10 . 1785 . 1 1 4 CYS CB C 1.530 -0.258 1.005 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 10 . 1786 . 1 1 4 CYS H H 2.510 -1.539 -1.198 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 10 . 1787 . 1 1 4 CYS HA H 1.299 -2.356 1.360 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 10 . 1788 . 1 1 4 CYS HB2 H 2.595 -0.092 1.067 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1789 . 1 1 4 CYS HB3 H 1.103 0.438 0.298 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1790 . 1 1 4 CYS N N 2.322 -2.095 -0.412 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 10 . 1791 . 1 1 4 CYS O O -0.513 -0.862 -0.863 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 10 . 1792 . 1 1 4 CYS SG S 0.815 0.105 2.641 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 10 . 1793 . 1 1 5 TYR C C -3.173 -3.234 0.638 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 10 . 1794 . 1 1 5 TYR CA C -2.126 -3.079 -0.461 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 10 . 1795 . 1 1 5 TYR CB C -2.130 -4.314 -1.363 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 10 . 1796 . 1 1 5 TYR CD1 C -1.585 -3.477 -3.681 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 10 . 1797 . 1 1 5 TYR CD2 C 0.041 -4.805 -2.554 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 10 . 1798 . 1 1 5 TYR CE1 C -0.745 -3.368 -4.773 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 10 . 1799 . 1 1 5 TYR CE2 C 0.888 -4.700 -3.640 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 10 . 1800 . 1 1 5 TYR CG C -1.208 -4.197 -2.554 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 10 . 1801 . 1 1 5 TYR CZ C 0.490 -3.981 -4.748 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 10 . 1802 . 1 1 5 TYR H H -0.417 -3.561 0.689 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 10 . 1803 . 1 1 5 TYR HA H -2.371 -2.210 -1.056 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 10 . 1804 . 1 1 5 TYR HB2 H -1.819 -5.172 -0.787 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1805 . 1 1 5 TYR HB3 H -3.132 -4.478 -1.732 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1806 . 1 1 5 TYR HD1 H -2.553 -2.997 -3.698 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 10 . 1807 . 1 1 5 TYR HD2 H 0.351 -5.368 -1.685 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 10 . 1808 . 1 1 5 TYR HE1 H -1.057 -2.804 -5.641 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 10 . 1809 . 1 1 5 TYR HE2 H 1.855 -5.180 -3.621 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 10 . 1810 . 1 1 5 TYR HH H 1.447 -2.947 -6.055 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 10 . 1811 . 1 1 5 TYR N N -0.800 -2.872 0.109 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 10 . 1812 . 1 1 5 TYR O O -3.225 -4.255 1.324 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 10 . 1813 . 1 1 5 TYR OH O 1.329 -3.873 -5.833 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 10 . 1814 . 1 1 6 THR C C -6.378 -1.734 1.250 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 10 . 1815 . 1 1 6 THR CA C -5.054 -2.233 1.816 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 10 . 1816 . 1 1 6 THR CB C -4.671 -1.373 3.034 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 10 . 1817 . 1 1 6 THR CG2 C -3.496 -1.985 3.781 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 10 . 1818 . 1 1 6 THR H H -3.917 -1.426 0.223 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 10 . 1819 . 1 1 6 THR HA H -5.176 -3.254 2.146 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 10 . 1820 . 1 1 6 THR HB H -5.518 -1.325 3.702 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 10 . 1821 . 1 1 6 THR HG1 H -5.125 0.401 2.300 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 10 . 1822 . 1 1 6 THR HG21 H -3.092 -1.261 4.474 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 10 . 1823 . 1 1 6 THR HG22 H -2.731 -2.273 3.076 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 10 . 1824 . 1 1 6 THR HG23 H -3.830 -2.854 4.327 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 10 . 1825 . 1 1 6 THR N N -4.009 -2.213 0.800 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 10 . 1826 . 1 1 6 THR O O -6.481 -1.419 0.064 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 10 . 1827 . 1 1 6 THR OG1 O -4.335 -0.046 2.611 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 10 . 1828 . 1 1 7 LEU C C -8.670 0.272 1.287 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 10 . 1829 . 1 1 7 LEU CA C -8.711 -1.198 1.693 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 10 . 1830 . 1 1 7 LEU CB C -9.722 -1.398 2.824 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 10 . 1831 . 1 1 7 LEU CD1 C -9.637 -3.829 3.433 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 10 . 1832 . 1 1 7 LEU CD2 C -11.804 -2.586 3.558 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 10 . 1833 . 1 1 7 LEU CG C -10.482 -2.725 2.816 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 10 . 1834 . 1 1 7 LEU H H -7.249 -1.925 3.040 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 10 . 1835 . 1 1 7 LEU HA H -9.016 -1.785 0.840 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 10 . 1836 . 1 1 7 LEU HB2 H -9.189 -1.329 3.759 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1837 . 1 1 7 LEU HB3 H -10.447 -0.600 2.764 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1838 . 1 1 7 LEU HD11 H -8.651 -3.816 2.993 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 10 . 1839 . 1 1 7 LEU HD12 H -10.102 -4.785 3.246 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 10 . 1840 . 1 1 7 LEU HD13 H -9.558 -3.669 4.498 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 10 . 1841 . 1 1 7 LEU HD21 H -12.025 -3.508 4.076 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 10 . 1842 . 1 1 7 LEU HD22 H -12.593 -2.373 2.851 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 10 . 1843 . 1 1 7 LEU HD23 H -11.733 -1.779 4.271 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 10 . 1844 . 1 1 7 LEU HG H -10.699 -3.003 1.794 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 10 . 1845 . 1 1 7 LEU N N -7.391 -1.661 2.107 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 10 . 1846 . 1 1 7 LEU O O -9.372 0.691 0.367 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 10 . 1847 . 1 1 8 GLN C C -6.563 2.724 0.717 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 10 . 1848 . 1 1 8 GLN CA C -7.709 2.472 1.690 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 10 . 1849 . 1 1 8 GLN CB C -7.481 3.258 2.982 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 10 . 1850 . 1 1 8 GLN CD C -9.580 4.660 3.067 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 10 . 1851 . 1 1 8 GLN CG C -8.762 3.574 3.737 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 10 . 1852 . 1 1 8 GLN H H -7.310 0.656 2.701 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 10 . 1853 . 1 1 8 GLN HA H -8.630 2.804 1.234 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 10 . 1854 . 1 1 8 GLN HB2 H -6.839 2.681 3.631 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1855 . 1 1 8 GLN HB3 H -6.991 4.190 2.740 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1856 . 1 1 8 GLN HE21 H -8.267 6.038 3.642 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 10 . 1857 . 1 1 8 GLN HE22 H -9.615 6.619 2.732 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 10 . 1858 . 1 1 8 GLN HG2 H -9.362 2.678 3.794 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 10 . 1859 . 1 1 8 GLN HG3 H -8.506 3.899 4.734 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 10 . 1860 . 1 1 8 GLN N N -7.842 1.049 1.979 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 10 . 1861 . 1 1 8 GLN NE2 N -9.107 5.898 3.155 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 10 . 1862 . 1 1 8 GLN O O -6.078 3.849 0.591 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 10 . 1863 . 1 1 8 GLN OE1 O -10.626 4.391 2.476 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 10 . 1864 . 1 1 9 SER C C -3.859 2.536 -0.325 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 10 . 1865 . 1 1 9 SER CA C -5.038 1.776 -0.927 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 10 . 1866 . 1 1 9 SER CB C -5.514 2.477 -2.200 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 10 . 1867 . 1 1 9 SER H H -6.558 0.799 0.176 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 10 . 1868 . 1 1 9 SER HA H -4.716 0.776 -1.175 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 10 . 1869 . 1 1 9 SER HB2 H -4.751 2.396 -2.960 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1870 . 1 1 9 SER HB3 H -6.422 2.006 -2.550 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1871 . 1 1 9 SER HG H -6.711 4.023 -2.084 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 10 . 1872 . 1 1 9 SER N N -6.131 1.670 0.031 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 10 . 1873 . 1 1 9 SER O O -3.469 3.594 -0.820 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 10 . 1874 . 1 1 9 SER OG O -5.775 3.850 -1.961 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 10 . 1875 . 1 1 10 CYS C C -0.968 2.726 0.479 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 10 . 1876 . 1 1 10 CYS CA C -2.164 2.614 1.420 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 10 . 1877 . 1 1 10 CYS CB C -1.776 1.812 2.664 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 10 . 1878 . 1 1 10 CYS H H -3.654 1.146 1.097 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 10 . 1879 . 1 1 10 CYS HA H -2.463 3.607 1.722 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 10 . 1880 . 1 1 10 CYS HB2 H -0.957 2.309 3.161 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1881 . 1 1 10 CYS HB3 H -2.622 1.767 3.332 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1882 . 1 1 10 CYS N N -3.297 1.990 0.748 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 10 . 1883 . 1 1 10 CYS O O -0.668 1.800 -0.273 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 10 . 1884 . 1 1 10 CYS SG S -1.254 0.103 2.312 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 10 . 1885 . 1 1 11 PHE C C 1.997 3.122 0.014 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 10 . 1886 . 1 1 11 PHE CA C 0.875 4.101 -0.319 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 10 . 1887 . 1 1 11 PHE CB C 1.372 5.539 -0.153 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 10 . 1888 . 1 1 11 PHE CD1 C -0.643 6.615 -1.191 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 10 . 1889 . 1 1 11 PHE CD2 C 1.517 7.311 -1.924 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 10 . 1890 . 1 1 11 PHE CE1 C -1.232 7.504 -2.069 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 10 . 1891 . 1 1 11 PHE CE2 C 0.934 8.203 -2.806 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 10 . 1892 . 1 1 11 PHE CG C 0.735 6.507 -1.109 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 10 . 1893 . 1 1 11 PHE CZ C -0.442 8.300 -2.877 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 10 . 1894 . 1 1 11 PHE H H -0.576 4.568 1.150 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 10 . 1895 . 1 1 11 PHE HA H 0.573 3.950 -1.344 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 10 . 1896 . 1 1 11 PHE HB2 H 1.157 5.874 0.850 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1897 . 1 1 11 PHE HB3 H 2.440 5.564 -0.315 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1898 . 1 1 11 PHE HD1 H -1.262 5.994 -0.559 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 10 . 1899 . 1 1 11 PHE HD2 H 2.593 7.235 -1.868 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 10 . 1900 . 1 1 11 PHE HE1 H -2.307 7.579 -2.123 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 10 . 1901 . 1 1 11 PHE HE2 H 1.553 8.823 -3.435 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 10 . 1902 . 1 1 11 PHE HZ H -0.899 8.996 -3.565 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 10 . 1903 . 1 1 11 PHE N N -0.288 3.868 0.529 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 10 . 1904 . 1 1 11 PHE O O 2.080 2.587 1.120 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 10 . 1905 . 1 1 12 PRO C C 5.070 2.514 0.150 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 10 . 1906 . 1 1 12 PRO CA C 4.014 1.964 -0.801 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 10 . 1907 . 1 1 12 PRO CB C 4.580 1.844 -2.218 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 10 . 1908 . 1 1 12 PRO CD C 2.843 3.483 -2.308 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 10 . 1909 . 1 1 12 PRO CG C 4.174 3.106 -2.897 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 10 . 1910 . 1 1 12 PRO HA H 3.691 0.993 -0.457 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 10 . 1911 . 1 1 12 PRO HB2 H 5.656 1.749 -2.171 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1912 . 1 1 12 PRO HB3 H 4.157 0.979 -2.706 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1913 . 1 1 12 PRO HD2 H 2.748 4.557 -2.246 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 10 . 1914 . 1 1 12 PRO HD3 H 2.039 3.065 -2.896 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 10 . 1915 . 1 1 12 PRO HG2 H 4.903 3.879 -2.703 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 10 . 1916 . 1 1 12 PRO HG3 H 4.079 2.936 -3.959 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 10 . 1917 . 1 1 12 PRO N N 2.881 2.880 -0.965 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 10 . 1918 . 1 1 12 PRO O O 5.064 3.700 0.482 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 10 . 1919 . 1 1 13 ASP C C 8.265 1.151 1.331 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 10 . 1920 . 1 1 13 ASP CA C 7.041 2.045 1.499 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 10 . 1921 . 1 1 13 ASP CB C 6.549 1.990 2.946 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 10 . 1922 . 1 1 13 ASP CG C 5.637 3.150 3.293 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 10 . 1923 . 1 1 13 ASP H H 5.928 0.714 0.287 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 10 . 1924 . 1 1 13 ASP HA H 7.318 3.062 1.262 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 10 . 1925 . 1 1 13 ASP HB2 H 6.004 1.070 3.099 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 10 . 1926 . 1 1 13 ASP HB3 H 7.400 2.013 3.610 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 10 . 1927 . 1 1 13 ASP N N 5.976 1.646 0.586 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 10 . 1928 . 1 1 13 ASP O O 8.656 0.436 2.255 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 10 . 1929 . 1 1 13 ASP OD1 O 6.142 4.285 3.422 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 10 . 1930 . 1 1 13 ASP OD2 O 4.417 2.924 3.436 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 11 . 1931 . 1 1 1 GLY C C 8.876 -1.297 -0.372 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 11 . 1932 . 1 1 1 GLY CA C 9.732 -0.105 0.008 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 11 . 1933 . 1 1 1 GLY H1 H 9.307 1.949 0.292 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 11 . 1934 . 1 1 1 GLY HA2 H 10.350 0.165 -0.835 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 11 . 1935 . 1 1 1 GLY HA3 H 10.371 -0.385 0.833 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 11 . 1936 . 1 1 1 GLY N N 8.941 1.047 0.399 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 11 . 1937 . 1 1 1 GLY O O 8.923 -1.765 -1.510 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 11 . 1938 . 1 1 2 ARG C C 5.848 -2.480 -0.143 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 11 . 1939 . 1 1 2 ARG CA C 7.222 -2.933 0.341 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 11 . 1940 . 1 1 2 ARG CB C 7.077 -3.767 1.616 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 11 . 1941 . 1 1 2 ARG CD C 7.770 -5.910 2.732 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 11 . 1942 . 1 1 2 ARG CG C 8.199 -4.773 1.816 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 11 . 1943 . 1 1 2 ARG CZ C 7.306 -7.782 1.209 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 11 . 1944 . 1 1 2 ARG H H 8.098 -1.372 1.469 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 11 . 1945 . 1 1 2 ARG HA H 7.679 -3.541 -0.426 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 11 . 1946 . 1 1 2 ARG HB2 H 7.063 -3.103 2.467 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 11 . 1947 . 1 1 2 ARG HB3 H 6.142 -4.306 1.574 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 11 . 1948 . 1 1 2 ARG HD2 H 8.651 -6.436 3.067 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 11 . 1949 . 1 1 2 ARG HD3 H 7.256 -5.492 3.585 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 11 . 1950 . 1 1 2 ARG HE H 5.923 -6.787 2.246 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 11 . 1951 . 1 1 2 ARG HG2 H 8.477 -5.184 0.857 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 11 . 1952 . 1 1 2 ARG HG3 H 9.047 -4.269 2.255 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 11 . 1953 . 1 1 2 ARG HH11 H 9.256 -7.278 1.368 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 11 . 1954 . 1 1 2 ARG HH12 H 8.915 -8.597 0.298 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 11 . 1955 . 1 1 2 ARG HH21 H 5.462 -8.522 0.839 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 11 . 1956 . 1 1 2 ARG HH22 H 6.757 -9.303 -0.003 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 11 . 1957 . 1 1 2 ARG N N 8.092 -1.788 0.582 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 11 . 1958 . 1 1 2 ARG NE N 6.882 -6.852 2.057 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 11 . 1959 . 1 1 2 ARG NH1 N 8.599 -7.895 0.935 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 11 . 1960 . 1 1 2 ARG NH2 N 6.437 -8.603 0.635 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 11 . 1961 . 1 1 2 ARG O O 5.438 -1.337 0.055 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 11 . 1962 . 1 1 3 PRO C C 2.746 -2.939 -0.211 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 11 . 1963 . 1 1 3 PRO CA C 3.778 -3.117 -1.318 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 11 . 1964 . 1 1 3 PRO CB C 3.456 -4.360 -2.153 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 11 . 1965 . 1 1 3 PRO CD C 5.542 -4.782 -1.065 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 11 . 1966 . 1 1 3 PRO CG C 4.284 -5.444 -1.553 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 11 . 1967 . 1 1 3 PRO HA H 3.776 -2.244 -1.955 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 11 . 1968 . 1 1 3 PRO HB2 H 2.401 -4.580 -2.082 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 11 . 1969 . 1 1 3 PRO HB3 H 3.724 -4.184 -3.185 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 11 . 1970 . 1 1 3 PRO HD2 H 5.895 -5.261 -0.164 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 11 . 1971 . 1 1 3 PRO HD3 H 6.303 -4.807 -1.831 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 11 . 1972 . 1 1 3 PRO HG2 H 3.753 -5.896 -0.730 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 11 . 1973 . 1 1 3 PRO HG3 H 4.516 -6.185 -2.304 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 11 . 1974 . 1 1 3 PRO N N 5.117 -3.399 -0.794 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 11 . 1975 . 1 1 3 PRO O O 2.841 -3.562 0.847 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 11 . 1976 . 1 1 4 CYS C C -0.661 -2.189 -0.046 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 11 . 1977 . 1 1 4 CYS CA C 0.709 -1.822 0.517 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 11 . 1978 . 1 1 4 CYS CB C 0.723 -0.349 0.931 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 11 . 1979 . 1 1 4 CYS H H 1.738 -1.617 -1.321 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 11 . 1980 . 1 1 4 CYS HA H 0.903 -2.434 1.385 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 11 . 1981 . 1 1 4 CYS HB2 H 1.653 -0.136 1.438 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 11 . 1982 . 1 1 4 CYS HB3 H 0.652 0.267 0.047 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 11 . 1983 . 1 1 4 CYS N N 1.759 -2.084 -0.459 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 11 . 1984 . 1 1 4 CYS O O -1.300 -1.386 -0.728 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 11 . 1985 . 1 1 4 CYS SG S -0.636 0.123 2.048 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 11 . 1986 . 1 1 5 TYR C C -3.445 -3.824 0.872 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 11 . 1987 . 1 1 5 TYR CA C -2.398 -3.883 -0.236 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 11 . 1988 . 1 1 5 TYR CB C -2.276 -5.313 -0.762 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 11 . 1989 . 1 1 5 TYR CD1 C -0.334 -4.963 -2.338 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 11 . 1990 . 1 1 5 TYR CD2 C -2.331 -5.930 -3.210 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 11 . 1991 . 1 1 5 TYR CE1 C 0.255 -5.042 -3.585 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 11 . 1992 . 1 1 5 TYR CE2 C -1.749 -6.015 -4.461 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 11 . 1993 . 1 1 5 TYR CG C -1.635 -5.403 -2.129 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 11 . 1994 . 1 1 5 TYR CZ C -0.457 -5.570 -4.644 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 11 . 1995 . 1 1 5 TYR H H -0.552 -4.002 0.789 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 11 . 1996 . 1 1 5 TYR HA H -2.710 -3.238 -1.044 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 11 . 1997 . 1 1 5 TYR HB2 H -1.676 -5.892 -0.077 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 11 . 1998 . 1 1 5 TYR HB3 H -3.262 -5.751 -0.828 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 11 . 1999 . 1 1 5 TYR HD1 H 0.220 -4.551 -1.508 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 11 . 2000 . 1 1 5 TYR HD2 H -3.343 -6.278 -3.065 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 11 . 2001 . 1 1 5 TYR HE1 H 1.266 -4.694 -3.729 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 11 . 2002 . 1 1 5 TYR HE2 H -2.306 -6.427 -5.289 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 11 . 2003 . 1 1 5 TYR HH H 0.288 -6.573 -6.104 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 11 . 2004 . 1 1 5 TYR N N -1.106 -3.407 0.243 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 11 . 2005 . 1 1 5 TYR O O -3.418 -4.620 1.812 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 11 . 2006 . 1 1 5 TYR OH O 0.127 -5.652 -5.886 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 11 . 2007 . 1 1 6 THR C C -6.614 -1.956 1.161 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 11 . 2008 . 1 1 6 THR CA C -5.426 -2.710 1.746 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 11 . 2009 . 1 1 6 THR CB C -4.916 -1.958 2.990 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 11 . 2010 . 1 1 6 THR CG2 C -4.300 -2.924 3.991 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 11 . 2011 . 1 1 6 THR H H -4.337 -2.271 -0.016 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 11 . 2012 . 1 1 6 THR HA H -5.750 -3.693 2.053 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 11 . 2013 . 1 1 6 THR HB H -5.753 -1.462 3.459 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 11 . 2014 . 1 1 6 THR HG1 H -4.161 -0.638 1.734 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 11 . 2015 . 1 1 6 THR HG21 H -4.220 -2.442 4.955 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 11 . 2016 . 1 1 6 THR HG22 H -3.316 -3.215 3.652 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 11 . 2017 . 1 1 6 THR HG23 H -4.923 -3.800 4.077 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 11 . 2018 . 1 1 6 THR N N -4.368 -2.875 0.756 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 11 . 2019 . 1 1 6 THR O O -6.551 -1.452 0.040 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 11 . 2020 . 1 1 6 THR OG1 O -3.947 -0.976 2.607 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 11 . 2021 . 1 1 7 LEU C C -8.599 0.271 1.155 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 11 . 2022 . 1 1 7 LEU CA C -8.901 -1.188 1.487 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 11 . 2023 . 1 1 7 LEU CB C -9.982 -1.263 2.566 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 11 . 2024 . 1 1 7 LEU CD1 C -12.467 -1.281 2.893 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 11 . 2025 . 1 1 7 LEU CD2 C -11.247 0.896 2.717 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 11 . 2026 . 1 1 7 LEU CG C -11.298 -0.552 2.250 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 11 . 2027 . 1 1 7 LEU H H -7.686 -2.304 2.812 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 11 . 2028 . 1 1 7 LEU HA H -9.259 -1.680 0.595 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 11 . 2029 . 1 1 7 LEU HB2 H -10.203 -2.305 2.740 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 11 . 2030 . 1 1 7 LEU HB3 H -9.578 -0.828 3.469 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 11 . 2031 . 1 1 7 LEU HD11 H -13.388 -0.777 2.642 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 11 . 2032 . 1 1 7 LEU HD12 H -12.341 -1.287 3.966 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 11 . 2033 . 1 1 7 LEU HD13 H -12.501 -2.298 2.530 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 11 . 2034 . 1 1 7 LEU HD21 H -10.283 1.097 3.160 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 11 . 2035 . 1 1 7 LEU HD22 H -12.022 1.065 3.449 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 11 . 2036 . 1 1 7 LEU HD23 H -11.400 1.551 1.872 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 11 . 2037 . 1 1 7 LEU HG H -11.452 -0.554 1.179 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 11 . 2038 . 1 1 7 LEU N N -7.696 -1.882 1.929 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 11 . 2039 . 1 1 7 LEU O O -9.168 0.835 0.222 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 11 . 2040 . 1 1 8 GLN C C -6.206 2.372 0.673 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 11 . 2041 . 1 1 8 GLN CA C -7.318 2.264 1.711 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 11 . 2042 . 1 1 8 GLN CB C -6.867 2.900 3.027 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 11 . 2043 . 1 1 8 GLN CD C -7.548 3.965 5.214 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 11 . 2044 . 1 1 8 GLN CG C -8.018 3.371 3.901 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 11 . 2045 . 1 1 8 GLN H H -7.278 0.369 2.653 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 11 . 2046 . 1 1 8 GLN HA H -8.187 2.791 1.347 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 11 . 2047 . 1 1 8 GLN HB2 H -6.293 2.175 3.585 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 11 . 2048 . 1 1 8 GLN HB3 H -6.239 3.751 2.806 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 11 . 2049 . 1 1 8 GLN HE21 H -7.066 2.157 5.887 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 11 . 2050 . 1 1 8 GLN HE22 H -6.771 3.466 6.974 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 11 . 2051 . 1 1 8 GLN HG2 H -8.576 4.124 3.363 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 11 . 2052 . 1 1 8 GLN HG3 H -8.661 2.530 4.111 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 11 . 2053 . 1 1 8 GLN N N -7.697 0.872 1.924 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 11 . 2054 . 1 1 8 GLN NE2 N -7.082 3.110 6.117 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 11 . 2055 . 1 1 8 GLN O O -6.054 3.402 0.017 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 11 . 2056 . 1 1 8 GLN OE1 O -7.604 5.178 5.416 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 11 . 2057 . 1 1 9 SER C C -3.347 2.412 -0.151 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 11 . 2058 . 1 1 9 SER CA C -4.330 1.279 -0.427 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 11 . 2059 . 1 1 9 SER CB C -4.865 1.386 -1.856 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 11 . 2060 . 1 1 9 SER H H -5.603 0.510 1.081 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 11 . 2061 . 1 1 9 SER HA H -3.815 0.336 -0.315 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 11 . 2062 . 1 1 9 SER HB2 H -5.805 0.861 -1.927 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 11 . 2063 . 1 1 9 SER HB3 H -5.015 2.428 -2.102 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 11 . 2064 . 1 1 9 SER HG H -3.710 1.486 -3.436 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 11 . 2065 . 1 1 9 SER N N -5.431 1.302 0.529 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 11 . 2066 . 1 1 9 SER O O -3.167 3.308 -0.977 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 11 . 2067 . 1 1 9 SER OG O -3.955 0.823 -2.785 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 11 . 2068 . 1 1 10 CYS C C -0.560 3.406 0.446 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 11 . 2069 . 1 1 10 CYS CA C -1.750 3.390 1.402 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 11 . 2070 . 1 1 10 CYS CB C -1.265 3.150 2.833 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 11 . 2071 . 1 1 10 CYS H H -2.899 1.628 1.633 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 11 . 2072 . 1 1 10 CYS HA H -2.245 4.348 1.356 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 11 . 2073 . 1 1 10 CYS HB2 H -0.828 4.061 3.215 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 11 . 2074 . 1 1 10 CYS HB3 H -2.109 2.876 3.449 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 11 . 2075 . 1 1 10 CYS N N -2.713 2.368 1.016 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 11 . 2076 . 1 1 10 CYS O O -0.215 2.385 -0.149 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 11 . 2077 . 1 1 10 CYS SG S -0.016 1.832 2.984 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 11 . 2078 . 1 1 11 PHE C C 2.270 3.659 -0.280 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 11 . 2079 . 1 1 11 PHE CA C 1.215 4.720 -0.578 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 11 . 2080 . 1 1 11 PHE CB C 1.822 6.116 -0.427 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 11 . 2081 . 1 1 11 PHE CD1 C -0.001 7.713 -1.076 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 11 . 2082 . 1 1 11 PHE CD2 C 1.890 7.508 -2.515 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 11 . 2083 . 1 1 11 PHE CE1 C -0.553 8.649 -1.932 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 11 . 2084 . 1 1 11 PHE CE2 C 1.343 8.443 -3.374 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 11 . 2085 . 1 1 11 PHE CG C 1.225 7.132 -1.359 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 11 . 2086 . 1 1 11 PHE CZ C 0.120 9.014 -3.081 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 11 . 2087 . 1 1 11 PHE H H -0.257 5.349 0.808 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 11 . 2088 . 1 1 11 PHE HA H 0.871 4.593 -1.592 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 11 . 2089 . 1 1 11 PHE HB2 H 1.667 6.462 0.583 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 11 . 2090 . 1 1 11 PHE HB3 H 2.882 6.063 -0.628 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 11 . 2091 . 1 1 11 PHE HD1 H -0.529 7.430 -0.178 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 11 . 2092 . 1 1 11 PHE HD2 H 2.848 7.061 -2.744 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 11 . 2093 . 1 1 11 PHE HE1 H -1.509 9.094 -1.701 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 11 . 2094 . 1 1 11 PHE HE2 H 1.872 8.727 -4.271 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 11 . 2095 . 1 1 11 PHE HZ H -0.309 9.745 -3.751 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 11 . 2096 . 1 1 11 PHE N N 0.064 4.571 0.306 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 11 . 2097 . 1 1 11 PHE O O 2.347 3.116 0.823 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 11 . 2098 . 1 1 12 PRO C C 5.294 2.826 -0.236 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 11 . 2099 . 1 1 12 PRO CA C 4.170 2.359 -1.157 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 11 . 2100 . 1 1 12 PRO CB C 4.684 2.201 -2.589 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 11 . 2101 . 1 1 12 PRO CD C 3.070 3.964 -2.626 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 11 . 2102 . 1 1 12 PRO CG C 4.352 3.491 -3.255 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 11 . 2103 . 1 1 12 PRO HA H 3.788 1.412 -0.804 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 11 . 2104 . 1 1 12 PRO HB2 H 5.751 2.025 -2.576 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 11 . 2105 . 1 1 12 PRO HB3 H 4.184 1.371 -3.066 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 11 . 2106 . 1 1 12 PRO HD2 H 3.058 5.042 -2.560 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 11 . 2107 . 1 1 12 PRO HD3 H 2.220 3.608 -3.189 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 11 . 2108 . 1 1 12 PRO HG2 H 5.141 4.208 -3.083 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 11 . 2109 . 1 1 12 PRO HG3 H 4.213 3.333 -4.314 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 11 . 2110 . 1 1 12 PRO N N 3.104 3.356 -1.285 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 11 . 2111 . 1 1 12 PRO O O 5.589 4.019 -0.158 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 11 . 2112 . 1 1 13 ASP C C 8.043 1.075 1.387 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 11 . 2113 . 1 1 13 ASP CA C 7.007 2.194 1.371 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 11 . 2114 . 1 1 13 ASP CB C 6.468 2.426 2.784 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 11 . 2115 . 1 1 13 ASP CG C 5.796 3.776 2.934 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 11 . 2116 . 1 1 13 ASP H H 5.634 0.947 0.353 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 11 . 2117 . 1 1 13 ASP HA H 7.479 3.101 1.024 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 11 . 2118 . 1 1 13 ASP HB2 H 5.745 1.657 3.017 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 11 . 2119 . 1 1 13 ASP HB3 H 7.285 2.371 3.488 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 11 . 2120 . 1 1 13 ASP N N 5.915 1.880 0.458 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 11 . 2121 . 1 1 13 ASP O O 8.138 0.316 2.352 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 11 . 2122 . 1 1 13 ASP OD1 O 6.235 4.734 2.264 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 11 . 2123 . 1 1 13 ASP OD2 O 4.831 3.876 3.720 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 12 . 2124 . 1 1 1 GLY C C 8.882 -1.312 -0.374 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 12 . 2125 . 1 1 1 GLY CA C 9.745 -0.125 0.002 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 12 . 2126 . 1 1 1 GLY H1 H 9.270 1.933 0.155 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 12 . 2127 . 1 1 1 GLY HA2 H 10.364 0.139 -0.843 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 12 . 2128 . 1 1 1 GLY HA3 H 10.382 -0.405 0.828 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 12 . 2129 . 1 1 1 GLY N N 8.959 1.033 0.388 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 12 . 2130 . 1 1 1 GLY O O 8.927 -1.787 -1.510 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 12 . 2131 . 1 1 2 ARG C C 5.846 -2.479 -0.137 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 12 . 2132 . 1 1 2 ARG CA C 7.218 -2.937 0.345 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 12 . 2133 . 1 1 2 ARG CB C 7.071 -3.766 1.622 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 12 . 2134 . 1 1 2 ARG CD C 7.899 -6.106 1.229 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 12 . 2135 . 1 1 2 ARG CG C 8.208 -4.750 1.844 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 12 . 2136 . 1 1 2 ARG CZ C 8.960 -8.323 1.161 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 12 . 2137 . 1 1 2 ARG H H 8.103 -1.375 1.466 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 12 . 2138 . 1 1 2 ARG HA H 7.671 -3.549 -0.421 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 12 . 2139 . 1 1 2 ARG HB2 H 7.033 -3.098 2.470 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2140 . 1 1 2 ARG HB3 H 6.147 -4.323 1.571 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2141 . 1 1 2 ARG HD2 H 6.867 -6.352 1.432 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 12 . 2142 . 1 1 2 ARG HD3 H 8.051 -6.045 0.161 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 12 . 2143 . 1 1 2 ARG HE H 9.191 -6.992 2.629 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 12 . 2144 . 1 1 2 ARG HG2 H 9.105 -4.358 1.390 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 12 . 2145 . 1 1 2 ARG HG3 H 8.363 -4.874 2.906 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 12 . 2146 . 1 1 2 ARG HH11 H 7.784 -7.895 -0.425 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 12 . 2147 . 1 1 2 ARG HH12 H 8.539 -9.455 -0.459 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 12 . 2148 . 1 1 2 ARG HH21 H 10.190 -9.043 2.594 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 12 . 2149 . 1 1 2 ARG HH22 H 9.906 -10.107 1.259 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 12 . 2150 . 1 1 2 ARG N N 8.094 -1.796 0.581 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 12 . 2151 . 1 1 2 ARG NE N 8.753 -7.161 1.770 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 12 . 2152 . 1 1 2 ARG NH1 N 8.379 -8.579 -0.002 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 12 . 2153 . 1 1 2 ARG NH2 N 9.750 -9.233 1.717 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 12 . 2154 . 1 1 2 ARG O O 5.440 -1.334 0.063 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 12 . 2155 . 1 1 3 PRO C C 2.743 -2.926 -0.208 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 12 . 2156 . 1 1 3 PRO CA C 3.775 -3.105 -1.317 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 12 . 2157 . 1 1 3 PRO CB C 3.449 -4.344 -2.156 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 12 . 2158 . 1 1 3 PRO CD C 5.533 -4.777 -1.067 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 12 . 2159 . 1 1 3 PRO CG C 4.273 -5.432 -1.559 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 12 . 2160 . 1 1 3 PRO HA H 3.777 -2.230 -1.950 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 12 . 2161 . 1 1 3 PRO HB2 H 2.393 -4.562 -2.086 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2162 . 1 1 3 PRO HB3 H 3.719 -4.165 -3.186 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2163 . 1 1 3 PRO HD2 H 5.885 -5.259 -0.168 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 12 . 2164 . 1 1 3 PRO HD3 H 6.295 -4.801 -1.833 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 12 . 2165 . 1 1 3 PRO HG2 H 3.741 -5.886 -0.737 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 12 . 2166 . 1 1 3 PRO HG3 H 4.504 -6.172 -2.311 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 12 . 2167 . 1 1 3 PRO N N 5.113 -3.393 -0.791 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 12 . 2168 . 1 1 3 PRO O O 2.844 -3.543 0.853 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 12 . 2169 . 1 1 4 CYS C C -0.669 -2.202 -0.044 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 12 . 2170 . 1 1 4 CYS CA C 0.699 -1.821 0.515 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 12 . 2171 . 1 1 4 CYS CB C 0.703 -0.345 0.919 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 12 . 2172 . 1 1 4 CYS H H 1.724 -1.619 -1.326 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 12 . 2173 . 1 1 4 CYS HA H 0.898 -2.425 1.387 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 12 . 2174 . 1 1 4 CYS HB2 H 1.637 -0.118 1.412 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2175 . 1 1 4 CYS HB3 H 0.612 0.264 0.033 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2176 . 1 1 4 CYS N N 1.750 -2.081 -0.461 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 12 . 2177 . 1 1 4 CYS O O -1.313 -1.409 -0.732 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 12 . 2178 . 1 1 4 CYS SG S -0.646 0.119 2.053 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 12 . 2179 . 1 1 5 TYR C C -3.443 -3.841 0.888 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 12 . 2180 . 1 1 5 TYR CA C -2.396 -3.909 -0.219 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 12 . 2181 . 1 1 5 TYR CB C -2.266 -5.345 -0.728 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 12 . 2182 . 1 1 5 TYR CD1 C -1.037 -4.599 -2.804 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 12 . 2183 . 1 1 5 TYR CD2 C -0.327 -6.610 -1.738 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 12 . 2184 . 1 1 5 TYR CE1 C -0.055 -4.756 -3.764 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 12 . 2185 . 1 1 5 TYR CE2 C 0.657 -6.774 -2.693 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 12 . 2186 . 1 1 5 TYR CG C -1.189 -5.521 -1.776 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 12 . 2187 . 1 1 5 TYR CZ C 0.789 -5.845 -3.704 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 12 . 2188 . 1 1 5 TYR H H -0.547 -4.007 0.807 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 12 . 2189 . 1 1 5 TYR HA H -2.710 -3.275 -1.036 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 12 . 2190 . 1 1 5 TYR HB2 H -2.029 -5.993 0.101 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2191 . 1 1 5 TYR HB3 H -3.205 -5.653 -1.162 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2192 . 1 1 5 TYR HD1 H -1.700 -3.747 -2.849 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 12 . 2193 . 1 1 5 TYR HD2 H -0.433 -7.335 -0.945 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 12 . 2194 . 1 1 5 TYR HE1 H 0.048 -4.029 -4.556 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 12 . 2195 . 1 1 5 TYR HE2 H 1.319 -7.627 -2.646 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 12 . 2196 . 1 1 5 TYR HH H 1.524 -5.523 -5.451 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 12 . 2197 . 1 1 5 TYR N N -1.106 -3.420 0.255 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 12 . 2198 . 1 1 5 TYR O O -3.414 -4.626 1.836 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 12 . 2199 . 1 1 5 TYR OH O 1.768 -6.005 -4.657 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 12 . 2200 . 1 1 6 THR C C -6.622 -1.986 1.153 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 12 . 2201 . 1 1 6 THR CA C -5.429 -2.727 1.746 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 12 . 2202 . 1 1 6 THR CB C -4.925 -1.957 2.982 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 12 . 2203 . 1 1 6 THR CG2 C -4.300 -2.907 3.993 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 12 . 2204 . 1 1 6 THR H H -4.342 -2.303 -0.020 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 12 . 2205 . 1 1 6 THR HA H -5.750 -3.709 2.066 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 12 . 2206 . 1 1 6 THR HB H -5.766 -1.462 3.447 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 12 . 2207 . 1 1 6 THR HG1 H -3.716 -0.442 3.349 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 12 . 2208 . 1 1 6 THR HG21 H -4.217 -2.411 4.949 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 12 . 2209 . 1 1 6 THR HG22 H -3.319 -3.200 3.653 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 12 . 2210 . 1 1 6 THR HG23 H -4.922 -3.783 4.096 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 12 . 2211 . 1 1 6 THR N N -4.372 -2.898 0.759 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 12 . 2212 . 1 1 6 THR O O -6.576 -1.530 0.010 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 12 . 2213 . 1 1 6 THR OG1 O -3.963 -0.973 2.587 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 12 . 2214 . 1 1 7 LEU C C -8.597 0.272 1.140 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 12 . 2215 . 1 1 7 LEU CA C -8.895 -1.183 1.485 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 12 . 2216 . 1 1 7 LEU CB C -9.977 -1.252 2.565 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 12 . 2217 . 1 1 7 LEU CD1 C -12.084 -1.793 1.320 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 12 . 2218 . 1 1 7 LEU CD2 C -12.182 -0.393 3.391 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 12 . 2219 . 1 1 7 LEU CG C -11.363 -0.750 2.160 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 12 . 2220 . 1 1 7 LEU H H -7.667 -2.256 2.835 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 12 . 2221 . 1 1 7 LEU HA H -9.252 -1.686 0.599 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 12 . 2222 . 1 1 7 LEU HB2 H -10.075 -2.282 2.870 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2223 . 1 1 7 LEU HB3 H -9.642 -0.660 3.406 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2224 . 1 1 7 LEU HD11 H -11.870 -2.777 1.707 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 12 . 2225 . 1 1 7 LEU HD12 H -11.748 -1.726 0.296 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 12 . 2226 . 1 1 7 LEU HD13 H -13.149 -1.614 1.361 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 12 . 2227 . 1 1 7 LEU HD21 H -12.036 -1.148 4.151 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 12 . 2228 . 1 1 7 LEU HD22 H -13.229 -0.347 3.127 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 12 . 2229 . 1 1 7 LEU HD23 H -11.864 0.566 3.770 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 12 . 2230 . 1 1 7 LEU HG H -11.254 0.144 1.560 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 12 . 2231 . 1 1 7 LEU N N -7.689 -1.871 1.935 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 12 . 2232 . 1 1 7 LEU O O -9.165 0.824 0.199 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 12 . 2233 . 1 1 8 GLN C C -6.208 2.376 0.648 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 12 . 2234 . 1 1 8 GLN CA C -7.326 2.275 1.680 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 12 . 2235 . 1 1 8 GLN CB C -6.885 2.927 2.992 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 12 . 2236 . 1 1 8 GLN CD C -8.416 4.810 3.694 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 12 . 2237 . 1 1 8 GLN CG C -8.044 3.352 3.879 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 12 . 2238 . 1 1 8 GLN H H -7.282 0.390 2.641 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 12 . 2239 . 1 1 8 GLN HA H -8.194 2.795 1.304 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 12 . 2240 . 1 1 8 GLN HB2 H -6.277 2.225 3.542 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2241 . 1 1 8 GLN HB3 H -6.295 3.802 2.764 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2242 . 1 1 8 GLN HE21 H -6.746 5.378 4.612 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 12 . 2243 . 1 1 8 GLN HE22 H -7.776 6.654 4.067 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 12 . 2244 . 1 1 8 GLN HG2 H -8.905 2.744 3.641 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 12 . 2245 . 1 1 8 GLN HG3 H -7.768 3.193 4.911 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 12 . 2246 . 1 1 8 GLN N N -7.701 0.885 1.906 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 12 . 2247 . 1 1 8 GLN NE2 N -7.560 5.704 4.173 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 12 . 2248 . 1 1 8 GLN O O -6.055 3.400 -0.018 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 12 . 2249 . 1 1 8 GLN OE1 O -9.462 5.129 3.127 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 12 . 2250 . 1 1 9 SER C C -3.335 2.408 -0.148 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 12 . 2251 . 1 1 9 SER CA C -4.320 1.277 -0.427 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 12 . 2252 . 1 1 9 SER CB C -4.845 1.385 -1.860 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 12 . 2253 . 1 1 9 SER H H -5.600 0.522 1.081 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 12 . 2254 . 1 1 9 SER HA H -3.809 0.334 -0.309 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 12 . 2255 . 1 1 9 SER HB2 H -5.321 2.343 -1.995 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2256 . 1 1 9 SER HB3 H -4.018 1.292 -2.550 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2257 . 1 1 9 SER HG H -6.349 0.633 -2.865 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 12 . 2258 . 1 1 9 SER N N -5.427 1.308 0.521 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 12 . 2259 . 1 1 9 SER O O -3.138 3.295 -0.980 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 12 . 2260 . 1 1 9 SER OG O -5.787 0.363 -2.136 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 12 . 2261 . 1 1 10 CYS C C -0.567 3.414 0.463 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 12 . 2262 . 1 1 10 CYS CA C -1.755 3.393 1.420 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 12 . 2263 . 1 1 10 CYS CB C -1.268 3.144 2.849 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 12 . 2264 . 1 1 10 CYS H H -2.918 1.639 1.650 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 12 . 2265 . 1 1 10 CYS HA H -2.251 4.351 1.380 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 12 . 2266 . 1 1 10 CYS HB2 H -0.829 4.052 3.235 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2267 . 1 1 10 CYS HB3 H -2.111 2.869 3.465 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2268 . 1 1 10 CYS N N -2.719 2.372 1.029 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 12 . 2269 . 1 1 10 CYS O O -0.222 2.397 -0.139 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 12 . 2270 . 1 1 10 CYS SG S -0.022 1.824 2.990 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 12 . 2271 . 1 1 11 PHE C C 2.263 3.674 -0.264 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 12 . 2272 . 1 1 11 PHE CA C 1.206 4.735 -0.555 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 12 . 2273 . 1 1 11 PHE CB C 1.813 6.130 -0.399 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 12 . 2274 . 1 1 11 PHE CD1 C -0.025 7.703 -1.067 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 12 . 2275 . 1 1 11 PHE CD2 C 1.904 7.556 -2.461 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 12 . 2276 . 1 1 11 PHE CE1 C -0.574 8.640 -1.921 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 12 . 2277 . 1 1 11 PHE CE2 C 1.360 8.494 -3.318 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 12 . 2278 . 1 1 11 PHE CG C 1.219 7.150 -1.328 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 12 . 2279 . 1 1 11 PHE CZ C 0.119 9.038 -3.048 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 12 . 2280 . 1 1 11 PHE H H -0.265 5.356 0.836 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 12 . 2281 . 1 1 11 PHE HA H 0.862 4.613 -1.571 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 12 . 2282 . 1 1 11 PHE HB2 H 1.655 6.473 0.613 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2283 . 1 1 11 PHE HB3 H 2.873 6.079 -0.595 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2284 . 1 1 11 PHE HD1 H -0.568 7.395 -0.186 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 12 . 2285 . 1 1 11 PHE HD2 H 2.875 7.133 -2.675 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 12 . 2286 . 1 1 11 PHE HE1 H -1.544 9.064 -1.707 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 12 . 2287 . 1 1 11 PHE HE2 H 1.905 8.803 -4.199 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 12 . 2288 . 1 1 11 PHE HZ H -0.308 9.770 -3.716 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 12 . 2289 . 1 1 11 PHE N N 0.057 4.580 0.328 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 12 . 2290 . 1 1 11 PHE O O 2.343 3.125 0.835 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 12 . 2291 . 1 1 12 PRO C C 5.287 2.841 -0.231 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 12 . 2292 . 1 1 12 PRO CA C 4.163 2.378 -1.151 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 12 . 2293 . 1 1 12 PRO CB C 4.673 2.227 -2.586 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 12 . 2294 . 1 1 12 PRO CD C 3.059 3.990 -2.611 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 12 . 2295 . 1 1 12 PRO CG C 4.340 3.520 -3.245 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 12 . 2296 . 1 1 12 PRO HA H 3.781 1.430 -0.802 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 12 . 2297 . 1 1 12 PRO HB2 H 5.740 2.052 -2.574 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2298 . 1 1 12 PRO HB3 H 4.173 1.400 -3.065 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2299 . 1 1 12 PRO HD2 H 3.045 5.067 -2.540 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 12 . 2300 . 1 1 12 PRO HD3 H 2.208 3.636 -3.174 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 12 . 2301 . 1 1 12 PRO HG2 H 5.128 4.236 -3.070 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 12 . 2302 . 1 1 12 PRO HG3 H 4.198 3.367 -4.304 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 12 . 2303 . 1 1 12 PRO N N 3.095 3.375 -1.273 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 12 . 2304 . 1 1 12 PRO O O 5.563 4.037 -0.126 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 12 . 2305 . 1 1 13 ASP C C 8.054 1.070 1.366 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 12 . 2306 . 1 1 13 ASP CA C 7.029 2.199 1.343 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 12 . 2307 . 1 1 13 ASP CB C 6.492 2.447 2.754 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 12 . 2308 . 1 1 13 ASP CG C 5.412 1.458 3.145 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 12 . 2309 . 1 1 13 ASP H H 5.667 0.953 0.306 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 12 . 2310 . 1 1 13 ASP HA H 7.510 3.099 0.988 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 12 . 2311 . 1 1 13 ASP HB2 H 7.306 2.361 3.461 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 12 . 2312 . 1 1 13 ASP HB3 H 6.080 3.444 2.806 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 12 . 2313 . 1 1 13 ASP N N 5.932 1.889 0.433 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 12 . 2314 . 1 1 13 ASP O O 8.144 0.320 2.338 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 12 . 2315 . 1 1 13 ASP OD1 O 5.473 0.300 2.682 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 12 . 2316 . 1 1 13 ASP OD2 O 4.507 1.842 3.915 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 13 . 2317 . 1 1 1 GLY C C 8.544 -0.555 -1.074 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 13 . 2318 . 1 1 1 GLY CA C 9.597 0.186 -0.274 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 13 . 2319 . 1 1 1 GLY H1 H 9.604 1.623 1.281 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 13 . 2320 . 1 1 1 GLY HA2 H 10.216 0.754 -0.954 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 13 . 2321 . 1 1 1 GLY HA3 H 10.215 -0.535 0.241 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 13 . 2322 . 1 1 1 GLY N N 9.019 1.091 0.701 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 13 . 2323 . 1 1 1 GLY O O 8.239 -0.184 -2.208 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 13 . 2324 . 1 1 2 ARG C C 5.568 -1.878 -0.825 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 13 . 2325 . 1 1 2 ARG CA C 6.964 -2.406 -1.148 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 13 . 2326 . 1 1 2 ARG CB C 7.076 -3.871 -0.727 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 13 . 2327 . 1 1 2 ARG CD C 7.590 -5.175 -2.814 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 13 . 2328 . 1 1 2 ARG CG C 8.134 -4.646 -1.496 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 13 . 2329 . 1 1 2 ARG CZ C 9.016 -7.089 -3.401 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 13 . 2330 . 1 1 2 ARG H H 8.272 -1.854 0.423 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 13 . 2331 . 1 1 2 ARG HA H 7.126 -2.332 -2.213 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 13 . 2332 . 1 1 2 ARG HB2 H 7.323 -3.915 0.323 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2333 . 1 1 2 ARG HB3 H 6.122 -4.353 -0.885 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2334 . 1 1 2 ARG HD2 H 6.800 -5.882 -2.605 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 13 . 2335 . 1 1 2 ARG HD3 H 7.190 -4.348 -3.380 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 13 . 2336 . 1 1 2 ARG HE H 9.042 -5.323 -4.326 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 13 . 2337 . 1 1 2 ARG HG2 H 8.968 -3.992 -1.700 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 13 . 2338 . 1 1 2 ARG HG3 H 8.465 -5.479 -0.893 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 13 . 2339 . 1 1 2 ARG HH11 H 7.752 -7.412 -1.858 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 13 . 2340 . 1 1 2 ARG HH12 H 8.763 -8.754 -2.282 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 13 . 2341 . 1 1 2 ARG HH21 H 10.379 -7.082 -4.894 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 13 . 2342 . 1 1 2 ARG HH22 H 10.257 -8.565 -4.009 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 13 . 2343 . 1 1 2 ARG N N 7.987 -1.608 -0.482 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 13 . 2344 . 1 1 2 ARG NE N 8.622 -5.837 -3.606 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 13 . 2345 . 1 1 2 ARG NH1 N 8.465 -7.811 -2.434 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 13 . 2346 . 1 1 2 ARG NH2 N 9.961 -7.622 -4.164 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 13 . 2347 . 1 1 2 ARG O O 5.355 -1.182 0.168 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 13 . 2348 . 1 1 3 PRO C C 2.530 -2.470 -0.328 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 13 . 2349 . 1 1 3 PRO CA C 3.204 -1.787 -1.513 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 13 . 2350 . 1 1 3 PRO CB C 2.538 -2.209 -2.824 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 13 . 2351 . 1 1 3 PRO CD C 4.778 -3.042 -2.890 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 13 . 2352 . 1 1 3 PRO CG C 3.370 -3.339 -3.324 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 13 . 2353 . 1 1 3 PRO HA H 3.130 -0.715 -1.398 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 13 . 2354 . 1 1 3 PRO HB2 H 1.521 -2.521 -2.629 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2355 . 1 1 3 PRO HB3 H 2.540 -1.382 -3.517 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2356 . 1 1 3 PRO HD2 H 5.302 -3.956 -2.654 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 13 . 2357 . 1 1 3 PRO HD3 H 5.300 -2.491 -3.658 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 13 . 2358 . 1 1 3 PRO HG2 H 3.031 -4.267 -2.886 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 13 . 2359 . 1 1 3 PRO HG3 H 3.312 -3.389 -4.401 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 13 . 2360 . 1 1 3 PRO N N 4.595 -2.216 -1.684 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 13 . 2361 . 1 1 3 PRO O O 3.013 -3.485 0.175 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 13 . 2362 . 1 1 4 CYS C C -0.706 -2.953 0.798 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 13 . 2363 . 1 1 4 CYS CA C 0.668 -2.461 1.242 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 13 . 2364 . 1 1 4 CYS CB C 0.515 -1.411 2.344 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 13 . 2365 . 1 1 4 CYS H H 1.074 -1.098 -0.327 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 13 . 2366 . 1 1 4 CYS HA H 1.229 -3.298 1.628 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 13 . 2367 . 1 1 4 CYS HB2 H 0.169 -1.895 3.245 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2368 . 1 1 4 CYS HB3 H 1.476 -0.956 2.533 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2369 . 1 1 4 CYS N N 1.409 -1.906 0.115 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 13 . 2370 . 1 1 4 CYS O O -1.351 -2.341 -0.055 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 13 . 2371 . 1 1 4 CYS SG S -0.661 -0.079 1.945 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 13 . 2372 . 1 1 5 TYR C C -3.544 -4.061 1.934 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 13 . 2373 . 1 1 5 TYR CA C -2.445 -4.636 1.046 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 13 . 2374 . 1 1 5 TYR CB C -2.403 -6.159 1.190 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 13 . 2375 . 1 1 5 TYR CD1 C -1.405 -7.037 -0.956 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 13 . 2376 . 1 1 5 TYR CD2 C -0.108 -7.200 1.037 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 13 . 2377 . 1 1 5 TYR CE1 C -0.385 -7.632 -1.674 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 13 . 2378 . 1 1 5 TYR CE2 C 0.916 -7.795 0.327 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 13 . 2379 . 1 1 5 TYR CG C -1.285 -6.810 0.409 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 13 . 2380 . 1 1 5 TYR CZ C 0.773 -8.010 -1.028 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 13 . 2381 . 1 1 5 TYR H H -0.589 -4.503 2.054 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 13 . 2382 . 1 1 5 TYR HA H -2.663 -4.388 0.017 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 13 . 2383 . 1 1 5 TYR HB2 H -2.272 -6.412 2.231 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2384 . 1 1 5 TYR HB3 H -3.337 -6.572 0.839 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2385 . 1 1 5 TYR HD1 H -2.313 -6.741 -1.460 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 13 . 2386 . 1 1 5 TYR HD2 H 0.000 -7.032 2.099 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 13 . 2387 . 1 1 5 TYR HE1 H -0.497 -7.801 -2.736 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 13 . 2388 . 1 1 5 TYR HE2 H 1.824 -8.091 0.834 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 13 . 2389 . 1 1 5 TYR HH H 2.439 -8.964 -1.127 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 13 . 2390 . 1 1 5 TYR N N -1.148 -4.061 1.382 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 13 . 2391 . 1 1 5 TYR O O -3.632 -4.380 3.120 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 13 . 2392 . 1 1 5 TYR OH O 1.792 -8.603 -1.738 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 13 . 2393 . 1 1 6 THR C C -6.525 -2.021 1.139 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 13 . 2394 . 1 1 6 THR CA C -5.475 -2.587 2.088 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 13 . 2395 . 1 1 6 THR CB C -4.965 -1.458 3.004 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 13 . 2396 . 1 1 6 THR CG2 C -4.646 -1.991 4.392 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 13 . 2397 . 1 1 6 THR H H -4.260 -2.994 0.403 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 13 . 2398 . 1 1 6 THR HA H -5.934 -3.344 2.706 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 13 . 2399 . 1 1 6 THR HB H -5.738 -0.709 3.089 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 13 . 2400 . 1 1 6 THR HG1 H -4.054 -0.168 1.822 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 13 . 2401 . 1 1 6 THR HG21 H -5.117 -1.364 5.134 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 13 . 2402 . 1 1 6 THR HG22 H -3.577 -1.986 4.542 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 13 . 2403 . 1 1 6 THR HG23 H -5.019 -2.999 4.485 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 13 . 2404 . 1 1 6 THR N N -4.382 -3.209 1.351 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 13 . 2405 . 1 1 6 THR O O -6.298 -1.922 -0.067 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 13 . 2406 . 1 1 6 THR OG1 O -3.794 -0.859 2.436 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 13 . 2407 . 1 1 7 LEU C C -8.432 0.328 0.440 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 13 . 2408 . 1 1 7 LEU CA C -8.761 -1.091 0.893 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 13 . 2409 . 1 1 7 LEU CB C -10.064 -1.093 1.696 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 13 . 2410 . 1 1 7 LEU CD1 C -11.822 -1.255 -0.083 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 13 . 2411 . 1 1 7 LEU CD2 C -12.332 -0.096 2.073 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 13 . 2412 . 1 1 7 LEU CG C -11.257 -0.399 1.039 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 13 . 2413 . 1 1 7 LEU H H -7.798 -1.752 2.657 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 13 . 2414 . 1 1 7 LEU HA H -8.885 -1.714 0.020 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 13 . 2415 . 1 1 7 LEU HB2 H -10.338 -2.121 1.878 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2416 . 1 1 7 LEU HB3 H -9.871 -0.602 2.639 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2417 . 1 1 7 LEU HD11 H -12.888 -1.099 -0.155 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 13 . 2418 . 1 1 7 LEU HD12 H -11.624 -2.297 0.124 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 13 . 2419 . 1 1 7 LEU HD13 H -11.353 -0.980 -1.017 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 13 . 2420 . 1 1 7 LEU HD21 H -12.968 -0.960 2.194 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 13 . 2421 . 1 1 7 LEU HD22 H -12.926 0.743 1.741 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 13 . 2422 . 1 1 7 LEU HD23 H -11.866 0.143 3.018 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 13 . 2423 . 1 1 7 LEU HG H -10.931 0.538 0.611 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 13 . 2424 . 1 1 7 LEU N N -7.676 -1.649 1.690 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 13 . 2425 . 1 1 7 LEU O O -8.787 0.735 -0.665 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 13 . 2426 . 1 1 8 GLN C C -6.151 2.481 0.072 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 13 . 2427 . 1 1 8 GLN CA C -7.369 2.447 0.990 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 13 . 2428 . 1 1 8 GLN CB C -7.075 3.223 2.276 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 13 . 2429 . 1 1 8 GLN CD C -8.047 3.925 4.498 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 13 . 2430 . 1 1 8 GLN CG C -8.324 3.634 3.038 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 13 . 2431 . 1 1 8 GLN H H -7.493 0.693 2.168 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 13 . 2432 . 1 1 8 GLN HA H -8.200 2.913 0.482 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 13 . 2433 . 1 1 8 GLN HB2 H -6.471 2.605 2.923 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2434 . 1 1 8 GLN HB3 H -6.522 4.116 2.025 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2435 . 1 1 8 GLN HE21 H -9.300 5.469 4.454 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 13 . 2436 . 1 1 8 GLN HE22 H -8.529 5.170 5.971 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 13 . 2437 . 1 1 8 GLN HG2 H -8.733 4.523 2.581 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 13 . 2438 . 1 1 8 GLN HG3 H -9.048 2.834 2.976 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 13 . 2439 . 1 1 8 GLN N N -7.748 1.074 1.302 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 13 . 2440 . 1 1 8 GLN NE2 N -8.689 4.959 5.029 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 13 . 2441 . 1 1 8 GLN O O -5.940 3.447 -0.660 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 13 . 2442 . 1 1 8 GLN OE1 O -7.264 3.228 5.146 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 13 . 2443 . 1 1 9 SER C C -3.147 2.408 -0.322 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 13 . 2444 . 1 1 9 SER CA C -4.153 1.328 -0.707 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 13 . 2445 . 1 1 9 SER CB C -4.517 1.458 -2.188 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 13 . 2446 . 1 1 9 SER H H -5.575 0.679 0.722 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 13 . 2447 . 1 1 9 SER HA H -3.708 0.359 -0.537 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 13 . 2448 . 1 1 9 SER HB2 H -5.452 0.954 -2.372 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2449 . 1 1 9 SER HB3 H -4.614 2.504 -2.441 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2450 . 1 1 9 SER HG H -2.840 1.535 -3.198 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 13 . 2451 . 1 1 9 SER N N -5.353 1.419 0.117 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 13 . 2452 . 1 1 9 SER O O -2.883 3.332 -1.092 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 13 . 2453 . 1 1 9 SER OG O -3.517 0.881 -3.010 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 13 . 2454 . 1 1 10 CYS C C -0.358 3.246 0.495 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 13 . 2455 . 1 1 10 CYS CA C -1.610 3.248 1.368 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 13 . 2456 . 1 1 10 CYS CB C -1.234 2.933 2.818 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 13 . 2457 . 1 1 10 CYS H H -2.837 1.527 1.447 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 13 . 2458 . 1 1 10 CYS HA H -2.060 4.229 1.327 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 13 . 2459 . 1 1 10 CYS HB2 H -0.788 3.810 3.264 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2460 . 1 1 10 CYS HB3 H -2.128 2.672 3.364 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2461 . 1 1 10 CYS N N -2.587 2.285 0.877 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 13 . 2462 . 1 1 10 CYS O O -0.017 2.234 -0.118 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 13 . 2463 . 1 1 10 CYS SG S -0.051 1.560 2.997 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 13 . 2464 . 1 1 11 PHE C C 2.523 3.397 -0.032 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 13 . 2465 . 1 1 11 PHE CA C 1.537 4.517 -0.354 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 13 . 2466 . 1 1 11 PHE CB C 2.193 5.876 -0.105 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 13 . 2467 . 1 1 11 PHE CD1 C 0.367 7.482 -0.722 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 13 . 2468 . 1 1 11 PHE CD2 C 2.377 7.506 -2.004 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 13 . 2469 . 1 1 11 PHE CE1 C -0.150 8.495 -1.507 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 13 . 2470 . 1 1 11 PHE CE2 C 1.865 8.519 -2.793 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 13 . 2471 . 1 1 11 PHE CG C 1.635 6.976 -0.961 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 13 . 2472 . 1 1 11 PHE CZ C 0.600 9.014 -2.544 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 13 . 2473 . 1 1 11 PHE H H 0.002 5.158 0.955 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 13 . 2474 . 1 1 11 PHE HA H 1.258 4.445 -1.394 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 13 . 2475 . 1 1 11 PHE HB2 H 2.049 6.154 0.928 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2476 . 1 1 11 PHE HB3 H 3.251 5.799 -0.309 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2477 . 1 1 11 PHE HD1 H -0.221 7.077 0.090 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 13 . 2478 . 1 1 11 PHE HD2 H 3.367 7.119 -2.200 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 13 . 2479 . 1 1 11 PHE HE1 H -1.140 8.879 -1.310 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 13 . 2480 . 1 1 11 PHE HE2 H 2.454 8.923 -3.603 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 13 . 2481 . 1 1 11 PHE HZ H 0.198 9.806 -3.158 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 13 . 2482 . 1 1 11 PHE N N 0.324 4.386 0.444 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 13 . 2483 . 1 1 11 PHE O O 2.499 2.806 1.048 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 13 . 2484 . 1 1 12 PRO C C 5.497 2.424 0.180 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 13 . 2485 . 1 1 12 PRO CA C 4.422 2.047 -0.834 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 13 . 2486 . 1 1 12 PRO CB C 5.028 1.925 -2.234 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 13 . 2487 . 1 1 12 PRO CD C 3.498 3.761 -2.302 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 13 . 2488 . 1 1 12 PRO CG C 4.799 3.255 -2.863 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 13 . 2489 . 1 1 12 PRO HA H 3.975 1.105 -0.549 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 13 . 2490 . 1 1 12 PRO HB2 H 6.082 1.701 -2.155 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2491 . 1 1 12 PRO HB3 H 4.527 1.139 -2.779 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2492 . 1 1 12 PRO HD2 H 3.526 4.834 -2.191 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 13 . 2493 . 1 1 12 PRO HD3 H 2.674 3.467 -2.937 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 13 . 2494 . 1 1 12 PRO HG2 H 5.603 3.927 -2.606 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 13 . 2495 . 1 1 12 PRO HG3 H 4.727 3.147 -3.935 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 13 . 2496 . 1 1 12 PRO N N 3.411 3.097 -0.990 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 13 . 2497 . 1 1 12 PRO O O 5.909 3.582 0.261 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 13 . 2498 . 1 1 13 ASP C C 8.186 0.775 1.715 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 13 . 2499 . 1 1 13 ASP CA C 6.975 1.670 1.961 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 13 . 2500 . 1 1 13 ASP CB C 6.413 1.415 3.360 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 13 . 2501 . 1 1 13 ASP CG C 7.109 2.243 4.423 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 13 . 2502 . 1 1 13 ASP H H 5.579 0.539 0.841 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 13 . 2503 . 1 1 13 ASP HA H 7.285 2.702 1.890 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 13 . 2504 . 1 1 13 ASP HB2 H 5.361 1.662 3.369 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 13 . 2505 . 1 1 13 ASP HB3 H 6.535 0.370 3.606 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 13 . 2506 . 1 1 13 ASP N N 5.946 1.441 0.953 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 13 . 2507 . 1 1 13 ASP O O 8.235 -0.362 2.184 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 13 . 2508 . 1 1 13 ASP OD1 O 8.226 2.734 4.156 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 13 . 2509 . 1 1 13 ASP OD2 O 6.534 2.400 5.520 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 14 . 2510 . 1 1 1 GLY C C 9.069 -1.128 -0.599 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 14 . 2511 . 1 1 1 GLY CA C 9.864 0.122 -0.282 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 14 . 2512 . 1 1 1 GLY H1 H 9.355 2.120 0.202 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 14 . 2513 . 1 1 1 GLY HA2 H 10.356 0.461 -1.182 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 14 . 2514 . 1 1 1 GLY HA3 H 10.613 -0.119 0.458 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 14 . 2515 . 1 1 1 GLY N N 9.031 1.195 0.228 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 14 . 2516 . 1 1 1 GLY O O 9.062 -1.596 -1.738 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 14 . 2517 . 1 1 2 ARG C C 6.193 -2.532 -0.253 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 14 . 2518 . 1 1 2 ARG CA C 7.597 -2.878 0.235 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 14 . 2519 . 1 1 2 ARG CB C 7.515 -3.657 1.549 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 14 . 2520 . 1 1 2 ARG CD C 8.212 -5.912 2.412 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 14 . 2521 . 1 1 2 ARG CG C 8.673 -4.618 1.760 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 14 . 2522 . 1 1 2 ARG CZ C 8.652 -5.577 4.808 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 14 . 2523 . 1 1 2 ARG H H 8.441 -1.253 1.295 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 14 . 2524 . 1 1 2 ARG HA H 8.082 -3.493 -0.508 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 14 . 2525 . 1 1 2 ARG HB2 H 7.503 -2.956 2.369 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2526 . 1 1 2 ARG HB3 H 6.598 -4.226 1.558 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2527 . 1 1 2 ARG HD2 H 7.155 -5.836 2.624 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 14 . 2528 . 1 1 2 ARG HD3 H 8.383 -6.727 1.725 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 14 . 2529 . 1 1 2 ARG HE H 9.645 -6.847 3.633 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 14 . 2530 . 1 1 2 ARG HG2 H 9.116 -4.850 0.803 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 14 . 2531 . 1 1 2 ARG HG3 H 9.408 -4.147 2.395 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 14 . 2532 . 1 1 2 ARG HH11 H 7.160 -4.444 4.052 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 14 . 2533 . 1 1 2 ARG HH12 H 7.481 -4.218 5.739 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 14 . 2534 . 1 1 2 ARG HH21 H 10.077 -6.558 5.854 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 14 . 2535 . 1 1 2 ARG HH22 H 9.141 -5.420 6.763 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 14 . 2536 . 1 1 2 ARG N N 8.397 -1.672 0.411 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 14 . 2537 . 1 1 2 ARG NE N 8.925 -6.182 3.657 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 14 . 2538 . 1 1 2 ARG NH1 N 7.685 -4.672 4.871 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 14 . 2539 . 1 1 2 ARG NH2 N 9.347 -5.877 5.898 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 14 . 2540 . 1 1 2 ARG O O 5.717 -1.406 -0.105 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 14 . 2541 . 1 1 3 PRO C C 3.124 -3.178 -0.260 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 14 . 2542 . 1 1 3 PRO CA C 4.154 -3.348 -1.371 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 14 . 2543 . 1 1 3 PRO CB C 3.900 -4.647 -2.141 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 14 . 2544 . 1 1 3 PRO CD C 6.018 -4.890 -1.060 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 14 . 2545 . 1 1 3 PRO CG C 4.797 -5.649 -1.500 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 14 . 2546 . 1 1 3 PRO HA H 4.094 -2.509 -2.048 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 14 . 2547 . 1 1 3 PRO HB2 H 2.860 -4.927 -2.046 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2548 . 1 1 3 PRO HB3 H 4.147 -4.505 -3.183 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2549 . 1 1 3 PRO HD2 H 6.408 -5.303 -0.141 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 14 . 2550 . 1 1 3 PRO HD3 H 6.772 -4.908 -1.833 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 14 . 2551 . 1 1 3 PRO HG2 H 4.304 -6.092 -0.649 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 14 . 2552 . 1 1 3 PRO HG3 H 5.067 -6.410 -2.217 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 14 . 2553 . 1 1 3 PRO N N 5.513 -3.523 -0.850 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 14 . 2554 . 1 1 3 PRO O O 3.069 -3.975 0.676 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 14 . 2555 . 1 1 4 CYS C C -0.108 -1.880 -0.008 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 14 . 2556 . 1 1 4 CYS CA C 1.280 -1.859 0.626 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 14 . 2557 . 1 1 4 CYS CB C 1.531 -0.501 1.287 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 14 . 2558 . 1 1 4 CYS H H 2.402 -1.533 -1.139 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 14 . 2559 . 1 1 4 CYS HA H 1.331 -2.630 1.378 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 14 . 2560 . 1 1 4 CYS HB2 H 2.579 -0.255 1.200 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2561 . 1 1 4 CYS HB3 H 0.947 0.252 0.779 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2562 . 1 1 4 CYS N N 2.309 -2.134 -0.370 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 14 . 2563 . 1 1 4 CYS O O -0.484 -0.961 -0.736 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 14 . 2564 . 1 1 4 CYS SG S 1.095 -0.444 3.055 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 14 . 2565 . 1 1 5 TYR C C -3.246 -3.133 0.855 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 14 . 2566 . 1 1 5 TYR CA C -2.212 -3.075 -0.265 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 14 . 2567 . 1 1 5 TYR CB C -2.306 -4.335 -1.127 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 14 . 2568 . 1 1 5 TYR CD1 C -1.171 -3.399 -3.180 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 14 . 2569 . 1 1 5 TYR CD2 C -0.371 -5.463 -2.294 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 14 . 2570 . 1 1 5 TYR CE1 C -0.221 -3.454 -4.181 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 14 . 2571 . 1 1 5 TYR CE2 C 0.584 -5.525 -3.291 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 14 . 2572 . 1 1 5 TYR CG C -1.263 -4.400 -2.221 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 14 . 2573 . 1 1 5 TYR CZ C 0.654 -4.520 -4.232 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 14 . 2574 . 1 1 5 TYR H H -0.511 -3.633 0.865 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 14 . 2575 . 1 1 5 TYR HA H -2.413 -2.213 -0.882 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 14 . 2576 . 1 1 5 TYR HB2 H -2.181 -5.203 -0.499 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2577 . 1 1 5 TYR HB3 H -3.280 -4.371 -1.594 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2578 . 1 1 5 TYR HD1 H -1.859 -2.566 -3.137 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 14 . 2579 . 1 1 5 TYR HD2 H -0.430 -6.249 -1.556 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 14 . 2580 . 1 1 5 TYR HE1 H -0.165 -2.667 -4.918 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 14 . 2581 . 1 1 5 TYR HE2 H 1.269 -6.359 -3.332 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 14 . 2582 . 1 1 5 TYR HH H 1.666 -3.724 -5.660 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 14 . 2583 . 1 1 5 TYR N N -0.866 -2.933 0.278 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 14 . 2584 . 1 1 5 TYR O O -3.196 -4.007 1.720 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 14 . 2585 . 1 1 5 TYR OH O 1.603 -4.578 -5.228 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 14 . 2586 . 1 1 6 THR C C -6.568 -1.721 1.229 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 14 . 2587 . 1 1 6 THR CA C -5.235 -2.136 1.841 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 14 . 2588 . 1 1 6 THR CB C -4.874 -1.153 2.970 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 14 . 2589 . 1 1 6 THR CG2 C -3.622 -1.610 3.705 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 14 . 2590 . 1 1 6 THR H H -4.175 -1.525 0.115 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 14 . 2591 . 1 1 6 THR HA H -5.340 -3.122 2.271 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 14 . 2592 . 1 1 6 THR HB H -5.693 -1.118 3.674 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 14 . 2593 . 1 1 6 THR HG1 H -4.619 0.795 3.147 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 14 . 2594 . 1 1 6 THR HG21 H -3.433 -0.950 4.539 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 14 . 2595 . 1 1 6 THR HG22 H -2.780 -1.585 3.029 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 14 . 2596 . 1 1 6 THR HG23 H -3.764 -2.616 4.066 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 14 . 2597 . 1 1 6 THR N N -4.188 -2.194 0.830 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 14 . 2598 . 1 1 6 THR O O -6.677 -1.543 0.015 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 14 . 2599 . 1 1 6 THR OG1 O -4.665 0.157 2.431 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 14 . 2600 . 1 1 7 LEU C C -8.933 0.307 1.234 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 14 . 2601 . 1 1 7 LEU CA C -8.908 -1.169 1.618 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 14 . 2602 . 1 1 7 LEU CB C -9.948 -1.443 2.706 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 14 . 2603 . 1 1 7 LEU CD1 C -11.608 -2.777 1.384 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 14 . 2604 . 1 1 7 LEU CD2 C -9.711 -3.933 2.535 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 14 . 2605 . 1 1 7 LEU CG C -10.694 -2.774 2.600 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 14 . 2606 . 1 1 7 LEU H H -7.433 -1.722 3.032 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 14 . 2607 . 1 1 7 LEU HA H -9.147 -1.759 0.745 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 14 . 2608 . 1 1 7 LEU HB2 H -9.442 -1.423 3.659 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2609 . 1 1 7 LEU HB3 H -10.678 -0.648 2.671 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2610 . 1 1 7 LEU HD11 H -11.256 -2.051 0.667 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 14 . 2611 . 1 1 7 LEU HD12 H -12.613 -2.524 1.688 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 14 . 2612 . 1 1 7 LEU HD13 H -11.604 -3.759 0.935 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 14 . 2613 . 1 1 7 LEU HD21 H -9.100 -3.836 1.650 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 14 . 2614 . 1 1 7 LEU HD22 H -10.257 -4.865 2.494 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 14 . 2615 . 1 1 7 LEU HD23 H -9.082 -3.921 3.411 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 14 . 2616 . 1 1 7 LEU HG H -11.310 -2.904 3.479 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 14 . 2617 . 1 1 7 LEU N N -7.580 -1.566 2.075 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 14 . 2618 . 1 1 7 LEU O O -9.622 0.702 0.295 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 14 . 2619 . 1 1 8 GLN C C -6.937 2.880 0.785 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 14 . 2620 . 1 1 8 GLN CA C -8.110 2.549 1.703 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 14 . 2621 . 1 1 8 GLN CB C -7.981 3.326 3.014 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 14 . 2622 . 1 1 8 GLN CD C -10.460 3.493 3.476 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 14 . 2623 . 1 1 8 GLN CG C -9.107 3.050 3.997 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 14 . 2624 . 1 1 8 GLN H H -7.648 0.742 2.703 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 14 . 2625 . 1 1 8 GLN HA H -9.027 2.837 1.212 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 14 . 2626 . 1 1 8 GLN HB2 H -7.047 3.061 3.485 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2627 . 1 1 8 GLN HB3 H -7.977 4.383 2.793 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2628 . 1 1 8 GLN HE21 H -9.715 5.268 2.980 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 14 . 2629 . 1 1 8 GLN HE22 H -11.391 5.035 2.636 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 14 . 2630 . 1 1 8 GLN HG2 H -9.145 1.989 4.193 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 14 . 2631 . 1 1 8 GLN HG3 H -8.902 3.577 4.917 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 14 . 2632 . 1 1 8 GLN N N -8.175 1.116 1.967 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 14 . 2633 . 1 1 8 GLN NE2 N -10.529 4.724 2.980 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 14 . 2634 . 1 1 8 GLN O O -6.509 4.031 0.699 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 14 . 2635 . 1 1 8 GLN OE1 O -11.432 2.738 3.516 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 14 . 2636 . 1 1 9 SER C C -4.068 2.547 -0.057 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 14 . 2637 . 1 1 9 SER CA C -5.297 2.046 -0.809 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 14 . 2638 . 1 1 9 SER CB C -5.666 3.031 -1.920 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 14 . 2639 . 1 1 9 SER H H -6.809 0.969 0.210 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 14 . 2640 . 1 1 9 SER HA H -5.068 1.087 -1.250 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 14 . 2641 . 1 1 9 SER HB2 H -6.584 2.713 -2.390 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2642 . 1 1 9 SER HB3 H -5.802 4.015 -1.495 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2643 . 1 1 9 SER HG H -4.759 2.373 -3.527 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 14 . 2644 . 1 1 9 SER N N -6.423 1.864 0.100 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 14 . 2645 . 1 1 9 SER O O -3.869 3.752 0.098 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 14 . 2646 . 1 1 9 SER OG O -4.648 3.095 -2.904 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 14 . 2647 . 1 1 10 CYS C C -0.943 2.444 0.199 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 14 . 2648 . 1 1 10 CYS CA C -2.035 1.957 1.145 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 14 . 2649 . 1 1 10 CYS CB C -1.535 0.749 1.939 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 14 . 2650 . 1 1 10 CYS H H -3.458 0.668 0.254 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 14 . 2651 . 1 1 10 CYS HA H -2.280 2.752 1.833 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 14 . 2652 . 1 1 10 CYS HB2 H -2.371 0.294 2.453 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2653 . 1 1 10 CYS HB3 H -1.106 0.031 1.256 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2654 . 1 1 10 CYS N N -3.245 1.613 0.409 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 14 . 2655 . 1 1 10 CYS O O -0.900 2.058 -0.970 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 14 . 2656 . 1 1 10 CYS SG S -0.272 1.151 3.189 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 14 . 2657 . 1 1 11 PHE C C 2.275 2.957 0.022 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 14 . 2658 . 1 1 11 PHE CA C 1.034 3.837 -0.089 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 14 . 2659 . 1 1 11 PHE CB C 1.362 5.263 0.359 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 14 . 2660 . 1 1 11 PHE CD1 C 0.419 6.668 -1.493 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 14 . 2661 . 1 1 11 PHE CD2 C -0.527 6.881 0.685 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 14 . 2662 . 1 1 11 PHE CE1 C -0.466 7.615 -1.974 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 14 . 2663 . 1 1 11 PHE CE2 C -1.415 7.828 0.211 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 14 . 2664 . 1 1 11 PHE CG C 0.399 6.291 -0.161 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 14 . 2665 . 1 1 11 PHE CZ C -1.384 8.196 -1.121 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 14 . 2666 . 1 1 11 PHE H H -0.146 3.567 1.649 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 14 . 2667 . 1 1 11 PHE HA H 0.711 3.857 -1.118 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 14 . 2668 . 1 1 11 PHE HB2 H 1.346 5.307 1.438 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2669 . 1 1 11 PHE HB3 H 2.350 5.523 0.007 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2670 . 1 1 11 PHE HD1 H 1.137 6.214 -2.162 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 14 . 2671 . 1 1 11 PHE HD2 H -0.551 6.596 1.727 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 14 . 2672 . 1 1 11 PHE HE1 H -0.440 7.900 -3.015 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 14 . 2673 . 1 1 11 PHE HE2 H -2.131 8.280 0.879 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 14 . 2674 . 1 1 11 PHE HZ H -2.077 8.935 -1.494 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 14 . 2675 . 1 1 11 PHE N N -0.060 3.295 0.711 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 14 . 2676 . 1 1 11 PHE O O 2.464 2.226 0.994 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 14 . 2677 . 1 1 12 PRO C C 5.402 2.721 -0.012 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 14 . 2678 . 1 1 12 PRO CA C 4.382 2.247 -1.040 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 14 . 2679 . 1 1 12 PRO CB C 4.903 2.484 -2.459 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 14 . 2680 . 1 1 12 PRO CD C 2.981 3.880 -2.190 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 14 . 2681 . 1 1 12 PRO CG C 4.324 3.796 -2.861 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 14 . 2682 . 1 1 12 PRO HA H 4.191 1.193 -0.897 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 14 . 2683 . 1 1 12 PRO HB2 H 5.984 2.515 -2.448 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2684 . 1 1 12 PRO HB3 H 4.568 1.689 -3.109 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2685 . 1 1 12 PRO HD2 H 2.762 4.899 -1.908 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 14 . 2686 . 1 1 12 PRO HD3 H 2.210 3.491 -2.839 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 14 . 2687 . 1 1 12 PRO HG2 H 4.962 4.599 -2.524 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 14 . 2688 . 1 1 12 PRO HG3 H 4.209 3.833 -3.934 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 14 . 2689 . 1 1 12 PRO N N 3.143 3.029 -0.999 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 14 . 2690 . 1 1 12 PRO O O 5.506 3.915 0.269 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 14 . 2691 . 1 1 13 ASP C C 8.385 1.194 1.395 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 14 . 2692 . 1 1 13 ASP CA C 7.168 2.101 1.545 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 14 . 2693 . 1 1 13 ASP CB C 6.588 1.969 2.954 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 14 . 2694 . 1 1 13 ASP CG C 5.832 0.669 3.150 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 14 . 2695 . 1 1 13 ASP H H 6.024 0.844 0.282 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 14 . 2696 . 1 1 13 ASP HA H 7.475 3.124 1.387 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 14 . 2697 . 1 1 13 ASP HB2 H 7.393 2.007 3.673 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 14 . 2698 . 1 1 13 ASP HB3 H 5.909 2.790 3.136 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 14 . 2699 . 1 1 13 ASP N N 6.154 1.779 0.548 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 14 . 2700 . 1 1 13 ASP O O 8.804 0.538 2.350 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 14 . 2701 . 1 1 13 ASP OD1 O 6.173 -0.324 2.472 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 14 . 2702 . 1 1 13 ASP OD2 O 4.901 0.643 3.980 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 15 . 2703 . 1 1 1 GLY C C 8.756 -0.748 -0.713 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 15 . 2704 . 1 1 1 GLY CA C 9.769 0.039 0.095 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 15 . 2705 . 1 1 1 GLY H1 H 9.662 1.873 1.148 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 15 . 2706 . 1 1 1 GLY HA2 H 10.473 0.500 -0.582 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 15 . 2707 . 1 1 1 GLY HA3 H 10.302 -0.641 0.743 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 15 . 2708 . 1 1 1 GLY N N 9.152 1.072 0.906 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 15 . 2709 . 1 1 1 GLY O O 8.536 -0.464 -1.890 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 15 . 2710 . 1 1 2 ARG C C 5.743 -2.005 -0.555 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 15 . 2711 . 1 1 2 ARG CA C 7.145 -2.573 -0.748 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 15 . 2712 . 1 1 2 ARG CB C 7.206 -4.004 -0.212 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 15 . 2713 . 1 1 2 ARG CD C 7.836 -5.452 -2.168 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 15 . 2714 . 1 1 2 ARG CG C 8.298 -4.848 -0.852 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 15 . 2715 . 1 1 2 ARG CZ C 7.052 -7.663 -1.434 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 15 . 2716 . 1 1 2 ARG H H 8.358 -1.917 0.859 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 15 . 2717 . 1 1 2 ARG HA H 7.376 -2.581 -1.802 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 15 . 2718 . 1 1 2 ARG HB2 H 7.384 -3.972 0.852 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2719 . 1 1 2 ARG HB3 H 6.256 -4.484 -0.397 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2720 . 1 1 2 ARG HD2 H 7.432 -4.665 -2.789 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 15 . 2721 . 1 1 2 ARG HD3 H 8.686 -5.899 -2.661 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 15 . 2722 . 1 1 2 ARG HE H 5.897 -6.259 -2.255 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 15 . 2723 . 1 1 2 ARG HG2 H 9.160 -4.223 -1.038 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 15 . 2724 . 1 1 2 ARG HG3 H 8.567 -5.643 -0.174 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 15 . 2725 . 1 1 2 ARG HH11 H 9.023 -7.323 -1.150 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 15 . 2726 . 1 1 2 ARG HH12 H 8.457 -8.877 -0.637 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 15 . 2727 . 1 1 2 ARG HH21 H 5.140 -8.303 -1.583 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 15 . 2728 . 1 1 2 ARG HH22 H 6.248 -9.435 -0.884 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 15 . 2729 . 1 1 2 ARG N N 8.139 -1.740 -0.079 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 15 . 2730 . 1 1 2 ARG NE N 6.810 -6.473 -1.971 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 15 . 2731 . 1 1 2 ARG NH1 N 8.278 -7.981 -1.042 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 15 . 2732 . 1 1 2 ARG NH2 N 6.066 -8.539 -1.288 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 15 . 2733 . 1 1 2 ARG O O 5.478 -1.238 0.372 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 15 . 2734 . 1 1 3 PRO C C 2.668 -2.518 -0.217 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 15 . 2735 . 1 1 3 PRO CA C 3.430 -1.930 -1.400 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 15 . 2736 . 1 1 3 PRO CB C 2.841 -2.435 -2.719 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 15 . 2737 . 1 1 3 PRO CD C 5.065 -3.299 -2.580 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 15 . 2738 . 1 1 3 PRO CG C 3.683 -3.610 -3.084 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 15 . 2739 . 1 1 3 PRO HA H 3.368 -0.852 -1.366 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 15 . 2740 . 1 1 3 PRO HB2 H 1.809 -2.720 -2.571 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2741 . 1 1 3 PRO HB3 H 2.903 -1.659 -3.466 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2742 . 1 1 3 PRO HD2 H 5.557 -4.202 -2.249 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 15 . 2743 . 1 1 3 PRO HD3 H 5.647 -2.812 -3.349 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 15 . 2744 . 1 1 3 PRO HG2 H 3.300 -4.498 -2.607 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 15 . 2745 . 1 1 3 PRO HG3 H 3.694 -3.733 -4.156 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 15 . 2746 . 1 1 3 PRO N N 4.820 -2.389 -1.450 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 15 . 2747 . 1 1 3 PRO O O 3.036 -3.567 0.312 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 15 . 2748 . 1 1 4 CYS C C -0.651 -2.539 0.874 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 15 . 2749 . 1 1 4 CYS CA C 0.788 -2.291 1.314 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 15 . 2750 . 1 1 4 CYS CB C 0.818 -1.260 2.444 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 15 . 2751 . 1 1 4 CYS H H 1.359 -1.006 -0.269 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 15 . 2752 . 1 1 4 CYS HA H 1.207 -3.219 1.674 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 15 . 2753 . 1 1 4 CYS HB2 H 0.041 -1.495 3.156 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2754 . 1 1 4 CYS HB3 H 1.777 -1.308 2.939 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2755 . 1 1 4 CYS N N 1.603 -1.837 0.193 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 15 . 2756 . 1 1 4 CYS O O -1.471 -1.620 0.851 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 15 . 2757 . 1 1 4 CYS SG S 0.561 0.457 1.892 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 15 . 2758 . 1 1 5 TYR C C -3.322 -3.869 1.175 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 15 . 2759 . 1 1 5 TYR CA C -2.292 -4.154 0.086 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 15 . 2760 . 1 1 5 TYR CB C -2.336 -5.633 -0.298 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 15 . 2761 . 1 1 5 TYR CD1 C -1.172 -5.681 -2.538 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 15 . 2762 . 1 1 5 TYR CD2 C -0.158 -6.840 -0.720 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 15 . 2763 . 1 1 5 TYR CE1 C -0.138 -6.067 -3.368 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 15 . 2764 . 1 1 5 TYR CE2 C 0.881 -7.230 -1.542 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 15 . 2765 . 1 1 5 TYR CG C -1.201 -6.060 -1.202 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 15 . 2766 . 1 1 5 TYR CZ C 0.887 -6.842 -2.865 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 15 . 2767 . 1 1 5 TYR H H -0.256 -4.473 0.567 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 15 . 2768 . 1 1 5 TYR HA H -2.530 -3.559 -0.783 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 15 . 2769 . 1 1 5 TYR HB2 H -2.287 -6.233 0.598 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2770 . 1 1 5 TYR HB3 H -3.264 -5.838 -0.812 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2771 . 1 1 5 TYR HD1 H -1.976 -5.074 -2.929 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 15 . 2772 . 1 1 5 TYR HD2 H -0.165 -7.143 0.317 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 15 . 2773 . 1 1 5 TYR HE1 H -0.133 -5.763 -4.404 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 15 . 2774 . 1 1 5 TYR HE2 H 1.684 -7.836 -1.148 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 15 . 2775 . 1 1 5 TYR HH H 1.671 -7.083 -4.604 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 15 . 2776 . 1 1 5 TYR N N -0.952 -3.785 0.527 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 15 . 2777 . 1 1 5 TYR O O -3.315 -4.497 2.234 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 15 . 2778 . 1 1 5 TYR OH O 1.920 -7.229 -3.688 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 15 . 2779 . 1 1 6 THR C C -6.365 -1.765 1.183 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 15 . 2780 . 1 1 6 THR CA C -5.244 -2.544 1.863 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 15 . 2781 . 1 1 6 THR CB C -4.670 -1.696 3.013 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 15 . 2782 . 1 1 6 THR CG2 C -4.248 -2.580 4.177 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 15 . 2783 . 1 1 6 THR H H -4.162 -2.450 0.046 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 15 . 2784 . 1 1 6 THR HA H -5.652 -3.452 2.281 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 15 . 2785 . 1 1 6 THR HB H -5.437 -1.016 3.357 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 15 . 2786 . 1 1 6 THR HG1 H -3.851 -0.103 2.188 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 15 . 2787 . 1 1 6 THR HG21 H -4.505 -2.097 5.109 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 15 . 2788 . 1 1 6 THR HG22 H -3.180 -2.741 4.139 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 15 . 2789 . 1 1 6 THR HG23 H -4.757 -3.529 4.112 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 15 . 2790 . 1 1 6 THR N N -4.208 -2.914 0.907 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 15 . 2791 . 1 1 6 THR O O -6.154 -1.126 0.151 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 15 . 2792 . 1 1 6 THR OG1 O -3.546 -0.939 2.550 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 15 . 2793 . 1 1 7 LEU C C -8.412 0.364 1.038 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 15 . 2794 . 1 1 7 LEU CA C -8.711 -1.119 1.219 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 15 . 2795 . 1 1 7 LEU CB C -9.923 -1.299 2.135 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 15 . 2796 . 1 1 7 LEU CD1 C -10.436 0.821 3.370 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 15 . 2797 . 1 1 7 LEU CD2 C -10.595 -1.380 4.549 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 15 . 2798 . 1 1 7 LEU CG C -9.858 -0.581 3.484 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 15 . 2799 . 1 1 7 LEU H H -7.663 -2.346 2.588 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 15 . 2800 . 1 1 7 LEU HA H -8.934 -1.550 0.254 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 15 . 2801 . 1 1 7 LEU HB2 H -10.792 -0.934 1.608 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2802 . 1 1 7 LEU HB3 H -10.039 -2.356 2.327 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2803 . 1 1 7 LEU HD11 H -11.021 0.898 2.466 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 15 . 2804 . 1 1 7 LEU HD12 H -9.632 1.541 3.341 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 15 . 2805 . 1 1 7 LEU HD13 H -11.066 1.020 4.225 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 15 . 2806 . 1 1 7 LEU HD21 H -10.135 -1.206 5.510 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 15 . 2807 . 1 1 7 LEU HD22 H -10.543 -2.432 4.310 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 15 . 2808 . 1 1 7 LEU HD23 H -11.628 -1.068 4.581 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 15 . 2809 . 1 1 7 LEU HG H -8.824 -0.492 3.786 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 15 . 2810 . 1 1 7 LEU N N -7.557 -1.821 1.768 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 15 . 2811 . 1 1 7 LEU O O -8.885 0.991 0.090 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 15 . 2812 . 1 1 8 GLN C C -6.347 2.606 0.698 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 15 . 2813 . 1 1 8 GLN CA C -7.258 2.330 1.890 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 15 . 2814 . 1 1 8 GLN CB C -6.565 2.756 3.186 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 15 . 2815 . 1 1 8 GLN CD C -6.668 2.861 5.709 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 15 . 2816 . 1 1 8 GLN CG C -7.416 2.543 4.429 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 15 . 2817 . 1 1 8 GLN H H -7.276 0.368 2.682 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 15 . 2818 . 1 1 8 GLN HA H -8.166 2.902 1.774 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 15 . 2819 . 1 1 8 GLN HB2 H -5.654 2.188 3.297 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2820 . 1 1 8 GLN HB3 H -6.319 3.805 3.121 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2821 . 1 1 8 GLN HE21 H -7.240 4.762 5.599 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 15 . 2822 . 1 1 8 GLN HE22 H -6.252 4.352 6.956 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 15 . 2823 . 1 1 8 GLN HG2 H -8.284 3.182 4.369 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 15 . 2824 . 1 1 8 GLN HG3 H -7.731 1.511 4.461 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 15 . 2825 . 1 1 8 GLN N N -7.622 0.919 1.951 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 15 . 2826 . 1 1 8 GLN NE2 N -6.724 4.119 6.131 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 15 . 2827 . 1 1 8 GLN O O -6.282 3.731 0.202 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 15 . 2828 . 1 1 8 GLN OE1 O -6.045 1.986 6.311 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 15 . 2829 . 1 1 9 SER C C -3.571 2.628 -0.542 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 15 . 2830 . 1 1 9 SER CA C -4.735 1.706 -0.887 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 15 . 2831 . 1 1 9 SER CB C -5.481 2.244 -2.110 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 15 . 2832 . 1 1 9 SER H H -5.741 0.701 0.682 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 15 . 2833 . 1 1 9 SER HA H -4.346 0.725 -1.117 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 15 . 2834 . 1 1 9 SER HB2 H -6.490 1.858 -2.111 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2835 . 1 1 9 SER HB3 H -5.508 3.323 -2.064 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2836 . 1 1 9 SER HG H -4.564 0.936 -3.243 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 15 . 2837 . 1 1 9 SER N N -5.646 1.573 0.244 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 15 . 2838 . 1 1 9 SER O O -3.198 3.499 -1.329 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 15 . 2839 . 1 1 9 SER OG O -4.841 1.852 -3.312 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 15 . 2840 . 1 1 10 CYS C C -0.683 3.097 0.153 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 15 . 2841 . 1 1 10 CYS CA C -1.875 3.243 1.094 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 15 . 2842 . 1 1 10 CYS CB C -1.470 2.844 2.514 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 15 . 2843 . 1 1 10 CYS H H -3.339 1.720 1.225 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 15 . 2844 . 1 1 10 CYS HA H -2.192 4.275 1.096 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 15 . 2845 . 1 1 10 CYS HB2 H -0.552 3.352 2.774 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2846 . 1 1 10 CYS HB3 H -2.248 3.144 3.200 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2847 . 1 1 10 CYS N N -2.998 2.431 0.642 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 15 . 2848 . 1 1 10 CYS O O -0.518 2.067 -0.502 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 15 . 2849 . 1 1 10 CYS SG S -1.193 1.056 2.734 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 15 . 2850 . 1 1 11 PHE C C 2.353 3.117 -0.269 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 15 . 2851 . 1 1 11 PHE CA C 1.322 4.122 -0.772 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 15 . 2852 . 1 1 11 PHE CB C 1.943 5.518 -0.840 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 15 . 2853 . 1 1 11 PHE CD1 C -0.106 6.850 -1.406 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 15 . 2854 . 1 1 11 PHE CD2 C 1.771 6.982 -2.871 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 15 . 2855 . 1 1 11 PHE CE1 C -0.805 7.724 -2.218 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 15 . 2856 . 1 1 11 PHE CE2 C 1.077 7.857 -3.686 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 15 . 2857 . 1 1 11 PHE CG C 1.187 6.469 -1.723 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 15 . 2858 . 1 1 11 PHE CZ C -0.212 8.229 -3.358 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 15 . 2859 . 1 1 11 PHE H H -0.040 4.927 0.636 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 15 . 2860 . 1 1 11 PHE HA H 1.004 3.830 -1.761 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 15 . 2861 . 1 1 11 PHE HB2 H 1.972 5.941 0.152 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2862 . 1 1 11 PHE HB3 H 2.950 5.438 -1.223 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2863 . 1 1 11 PHE HD1 H -0.571 6.456 -0.514 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 15 . 2864 . 1 1 11 PHE HD2 H 2.779 6.693 -3.128 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 15 . 2865 . 1 1 11 PHE HE1 H -1.813 8.014 -1.959 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 15 . 2866 . 1 1 11 PHE HE2 H 1.543 8.250 -4.577 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 15 . 2867 . 1 1 11 PHE HZ H -0.756 8.912 -3.994 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 15 . 2868 . 1 1 11 PHE N N 0.144 4.134 0.090 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 15 . 2869 . 1 1 11 PHE O O 2.385 2.758 0.908 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 15 . 2870 . 1 1 12 PRO C C 5.363 2.284 0.018 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 15 . 2871 . 1 1 12 PRO CA C 4.268 1.682 -0.855 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 15 . 2872 . 1 1 12 PRO CB C 4.830 1.293 -2.225 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 15 . 2873 . 1 1 12 PRO CD C 3.239 3.037 -2.603 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 15 . 2874 . 1 1 12 PRO CG C 4.537 2.462 -3.100 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 15 . 2875 . 1 1 12 PRO HA H 3.862 0.806 -0.369 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 15 . 2876 . 1 1 12 PRO HB2 H 5.894 1.117 -2.144 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2877 . 1 1 12 PRO HB3 H 4.338 0.401 -2.580 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2878 . 1 1 12 PRO HD2 H 3.237 4.111 -2.712 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 15 . 2879 . 1 1 12 PRO HD3 H 2.406 2.600 -3.133 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 15 . 2880 . 1 1 12 PRO HG2 H 5.327 3.192 -3.016 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 15 . 2881 . 1 1 12 PRO HG3 H 4.434 2.136 -4.125 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 15 . 2882 . 1 1 12 PRO N N 3.219 2.652 -1.182 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 15 . 2883 . 1 1 12 PRO O O 5.676 3.470 -0.091 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 15 . 2884 . 1 1 13 ASP C C 8.154 0.912 1.803 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 15 . 2885 . 1 1 13 ASP CA C 7.004 1.913 1.777 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 15 . 2886 . 1 1 13 ASP CB C 6.458 2.118 3.191 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 15 . 2887 . 1 1 13 ASP CG C 5.615 0.949 3.661 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 15 . 2888 . 1 1 13 ASP H H 5.649 0.527 0.926 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 15 . 2889 . 1 1 13 ASP HA H 7.372 2.856 1.403 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 15 . 2890 . 1 1 13 ASP HB2 H 7.286 2.239 3.875 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 15 . 2891 . 1 1 13 ASP HB3 H 5.848 3.009 3.208 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 15 . 2892 . 1 1 13 ASP N N 5.942 1.461 0.885 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 15 . 2893 . 1 1 13 ASP O O 8.026 -0.182 2.354 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 15 . 2894 . 1 1 13 ASP OD1 O 4.413 0.911 3.325 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 15 . 2895 . 1 1 13 ASP OD2 O 6.158 0.072 4.365 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 16 . 2896 . 1 1 1 GLY C C 8.755 -0.746 -0.714 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 16 . 2897 . 1 1 1 GLY CA C 9.767 0.043 0.093 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 16 . 2898 . 1 1 1 GLY H1 H 9.707 1.755 1.337 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 16 . 2899 . 1 1 1 GLY HA2 H 10.471 0.504 -0.584 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 16 . 2900 . 1 1 1 GLY HA3 H 10.301 -0.637 0.742 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 16 . 2901 . 1 1 1 GLY N N 9.149 1.075 0.904 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 16 . 2902 . 1 1 1 GLY O O 8.534 -0.463 -1.892 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 16 . 2903 . 1 1 2 ARG C C 5.742 -2.004 -0.555 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 16 . 2904 . 1 1 2 ARG CA C 7.146 -2.571 -0.747 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 16 . 2905 . 1 1 2 ARG CB C 7.207 -4.003 -0.211 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 16 . 2906 . 1 1 2 ARG CD C 8.019 -6.331 -0.694 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 16 . 2907 . 1 1 2 ARG CG C 8.300 -4.844 -0.848 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 16 . 2908 . 1 1 2 ARG CZ C 8.141 -8.004 1.103 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 16 . 2909 . 1 1 2 ARG H H 8.357 -1.914 0.860 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 16 . 2910 . 1 1 2 ARG HA H 7.375 -2.581 -1.802 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 16 . 2911 . 1 1 2 ARG HB2 H 7.383 -3.969 0.855 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 16 . 2912 . 1 1 2 ARG HB3 H 6.258 -4.484 -0.396 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 16 . 2913 . 1 1 2 ARG HD2 H 7.058 -6.550 -1.135 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 16 . 2914 . 1 1 2 ARG HD3 H 8.787 -6.884 -1.215 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 16 . 2915 . 1 1 2 ARG HE H 7.884 -6.047 1.384 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 16 . 2916 . 1 1 2 ARG HG2 H 8.359 -4.607 -1.899 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 16 . 2917 . 1 1 2 ARG HG3 H 9.242 -4.614 -0.372 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 16 . 2918 . 1 1 2 ARG HH11 H 8.324 -8.749 -0.766 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 16 . 2919 . 1 1 2 ARG HH12 H 8.408 -9.917 0.510 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 16 . 2920 . 1 1 2 ARG HH21 H 7.994 -7.575 3.073 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 16 . 2921 . 1 1 2 ARG HH22 H 8.219 -9.249 2.693 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 16 . 2922 . 1 1 2 ARG N N 8.138 -1.737 -0.080 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 16 . 2923 . 1 1 2 ARG NE N 8.003 -6.744 0.706 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 16 . 2924 . 1 1 2 ARG NH1 N 8.304 -8.970 0.209 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 16 . 2925 . 1 1 2 ARG NH2 N 8.116 -8.301 2.396 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 16 . 2926 . 1 1 2 ARG O O 5.477 -1.237 0.371 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 16 . 2927 . 1 1 3 PRO C C 2.667 -2.519 -0.218 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 16 . 2928 . 1 1 3 PRO CA C 3.428 -1.931 -1.401 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 16 . 2929 . 1 1 3 PRO CB C 2.841 -2.437 -2.720 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 16 . 2930 . 1 1 3 PRO CD C 5.066 -3.300 -2.580 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 16 . 2931 . 1 1 3 PRO CG C 3.684 -3.611 -3.084 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 16 . 2932 . 1 1 3 PRO HA H 3.366 -0.853 -1.367 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 16 . 2933 . 1 1 3 PRO HB2 H 1.809 -2.722 -2.572 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 16 . 2934 . 1 1 3 PRO HB3 H 2.902 -1.661 -3.467 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 16 . 2935 . 1 1 3 PRO HD2 H 5.558 -4.203 -2.248 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 16 . 2936 . 1 1 3 PRO HD3 H 5.648 -2.813 -3.349 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 16 . 2937 . 1 1 3 PRO HG2 H 3.301 -4.500 -2.607 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 16 . 2938 . 1 1 3 PRO HG3 H 3.696 -3.735 -4.157 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 16 . 2939 . 1 1 3 PRO N N 4.820 -2.389 -1.450 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 16 . 2940 . 1 1 3 PRO O O 3.036 -3.569 0.311 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 16 . 2941 . 1 1 4 CYS C C -0.652 -2.539 0.874 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 16 . 2942 . 1 1 4 CYS CA C 0.789 -2.292 1.313 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 16 . 2943 . 1 1 4 CYS CB C 0.819 -1.262 2.444 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 16 . 2944 . 1 1 4 CYS H H 1.359 -1.007 -0.268 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 16 . 2945 . 1 1 4 CYS HA H 1.206 -3.220 1.673 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 16 . 2946 . 1 1 4 CYS HB2 H 0.041 -1.496 3.156 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 16 . 2947 . 1 1 4 CYS HB3 H 1.777 -1.309 2.938 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 16 . 2948 . 1 1 4 CYS N N 1.603 -1.837 0.193 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 16 . 2949 . 1 1 4 CYS O O -1.471 -1.621 0.851 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 16 . 2950 . 1 1 4 CYS SG S 0.562 0.455 1.892 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 16 . 2951 . 1 1 5 TYR C C -3.322 -3.869 1.175 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 16 . 2952 . 1 1 5 TYR CA C -2.293 -4.153 0.086 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 16 . 2953 . 1 1 5 TYR CB C -2.338 -5.633 -0.298 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 16 . 2954 . 1 1 5 TYR CD1 C -1.294 -5.760 -2.595 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 16 . 2955 . 1 1 5 TYR CD2 C -0.113 -6.732 -0.768 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 16 . 2956 . 1 1 5 TYR CE1 C -0.283 -6.137 -3.457 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 16 . 2957 . 1 1 5 TYR CE2 C 0.904 -7.113 -1.622 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 16 . 2958 . 1 1 5 TYR CG C -1.228 -6.050 -1.237 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 16 . 2959 . 1 1 5 TYR CZ C 0.814 -6.813 -2.966 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 16 . 2960 . 1 1 5 TYR H H -0.256 -4.474 0.565 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 16 . 2961 . 1 1 5 TYR HA H -2.531 -3.559 -0.784 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 16 . 2962 . 1 1 5 TYR HB2 H -2.257 -6.233 0.596 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 16 . 2963 . 1 1 5 TYR HB3 H -3.279 -5.844 -0.783 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 16 . 2964 . 1 1 5 TYR HD1 H -2.156 -5.230 -2.976 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 16 . 2965 . 1 1 5 TYR HD2 H -0.045 -6.966 0.285 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 16 . 2966 . 1 1 5 TYR HE1 H -0.353 -5.903 -4.509 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 16 . 2967 . 1 1 5 TYR HE2 H 1.763 -7.643 -1.238 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 16 . 2968 . 1 1 5 TYR HH H 1.487 -7.837 -4.447 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 16 . 2969 . 1 1 5 TYR N N -0.952 -3.785 0.526 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 16 . 2970 . 1 1 5 TYR O O -3.315 -4.498 2.233 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 16 . 2971 . 1 1 5 TYR OH O 1.824 -7.192 -3.821 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 16 . 2972 . 1 1 6 THR C C -6.365 -1.765 1.184 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 16 . 2973 . 1 1 6 THR CA C -5.244 -2.543 1.863 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 16 . 2974 . 1 1 6 THR CB C -4.670 -1.696 3.013 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 16 . 2975 . 1 1 6 THR CG2 C -4.248 -2.579 4.178 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 16 . 2976 . 1 1 6 THR H H -4.163 -2.448 0.046 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 16 . 2977 . 1 1 6 THR HA H -5.653 -3.452 2.282 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 16 . 2978 . 1 1 6 THR HB H -5.436 -1.015 3.356 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 16 . 2979 . 1 1 6 THR HG1 H -3.819 -0.373 1.823 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 16 . 2980 . 1 1 6 THR HG21 H -4.717 -2.229 5.084 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 16 . 2981 . 1 1 6 THR HG22 H -3.174 -2.539 4.289 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 16 . 2982 . 1 1 6 THR HG23 H -4.552 -3.598 3.985 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 16 . 2983 . 1 1 6 THR N N -4.208 -2.914 0.907 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 16 . 2984 . 1 1 6 THR O O -6.155 -1.126 0.152 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 16 . 2985 . 1 1 6 THR OG1 O -3.547 -0.938 2.551 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 16 . 2986 . 1 1 7 LEU C C -8.412 0.365 1.038 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 16 . 2987 . 1 1 7 LEU CA C -8.712 -1.119 1.221 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 16 . 2988 . 1 1 7 LEU CB C -9.923 -1.297 2.137 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 16 . 2989 . 1 1 7 LEU CD1 C -11.753 -2.743 3.055 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 16 . 2990 . 1 1 7 LEU CD2 C -11.405 -2.592 0.583 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 16 . 2991 . 1 1 7 LEU CG C -10.726 -2.584 1.945 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 16 . 2992 . 1 1 7 LEU H H -7.663 -2.346 2.589 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 16 . 2993 . 1 1 7 LEU HA H -8.934 -1.550 0.255 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 16 . 2994 . 1 1 7 LEU HB2 H -9.573 -1.275 3.156 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 16 . 2995 . 1 1 7 LEU HB3 H -10.590 -0.463 1.969 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 16 . 2996 . 1 1 7 LEU HD11 H -11.271 -2.615 4.013 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 16 . 2997 . 1 1 7 LEU HD12 H -12.192 -3.728 3.002 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 16 . 2998 . 1 1 7 LEU HD13 H -12.528 -1.999 2.940 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 16 . 2999 . 1 1 7 LEU HD21 H -10.757 -3.066 -0.139 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 16 . 3000 . 1 1 7 LEU HD22 H -11.605 -1.576 0.275 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 16 . 3001 . 1 1 7 LEU HD23 H -12.334 -3.139 0.647 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 16 . 3002 . 1 1 7 LEU HG H -10.054 -3.430 1.990 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 16 . 3003 . 1 1 7 LEU N N -7.557 -1.821 1.769 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 16 . 3004 . 1 1 7 LEU O O -8.884 0.991 0.090 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 16 . 3005 . 1 1 8 GLN C C -6.346 2.607 0.698 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 16 . 3006 . 1 1 8 GLN CA C -7.257 2.331 1.889 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 16 . 3007 . 1 1 8 GLN CB C -6.565 2.757 3.186 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 16 . 3008 . 1 1 8 GLN CD C -6.801 3.289 5.645 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 16 . 3009 . 1 1 8 GLN CG C -7.514 2.899 4.364 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 16 . 3010 . 1 1 8 GLN H H -7.276 0.369 2.683 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 16 . 3011 . 1 1 8 GLN HA H -8.165 2.903 1.772 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 16 . 3012 . 1 1 8 GLN HB2 H -5.816 2.022 3.439 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 16 . 3013 . 1 1 8 GLN HB3 H -6.082 3.710 3.024 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 16 . 3014 . 1 1 8 GLN HE21 H -8.292 4.511 6.131 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 16 . 3015 . 1 1 8 GLN HE22 H -6.982 4.438 7.256 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 16 . 3016 . 1 1 8 GLN HG2 H -8.246 3.659 4.133 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 16 . 3017 . 1 1 8 GLN HG3 H -8.015 1.955 4.522 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 16 . 3018 . 1 1 8 GLN N N -7.621 0.920 1.951 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 16 . 3019 . 1 1 8 GLN NE2 N -7.420 4.168 6.423 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 16 . 3020 . 1 1 8 GLN O O -6.281 3.731 0.202 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 16 . 3021 . 1 1 8 GLN OE1 O -5.706 2.805 5.930 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 16 . 3022 . 1 1 9 SER C C -3.569 2.627 -0.541 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 16 . 3023 . 1 1 9 SER CA C -4.734 1.704 -0.887 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 16 . 3024 . 1 1 9 SER CB C -5.480 2.243 -2.109 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 16 . 3025 . 1 1 9 SER H H -5.740 0.701 0.683 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 16 . 3026 . 1 1 9 SER HA H -4.346 0.723 -1.116 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 16 . 3027 . 1 1 9 SER HB2 H -6.505 1.906 -2.080 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 16 . 3028 . 1 1 9 SER HB3 H -5.455 3.322 -2.097 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 16 . 3029 . 1 1 9 SER HG H -4.544 2.536 -3.806 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 16 . 3030 . 1 1 9 SER N N -5.644 1.573 0.244 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 16 . 3031 . 1 1 9 SER O O -3.196 3.498 -1.328 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 16 . 3032 . 1 1 9 SER OG O -4.884 1.786 -3.311 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 16 . 3033 . 1 1 10 CYS C C -0.682 3.096 0.152 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 16 . 3034 . 1 1 10 CYS CA C -1.874 3.242 1.094 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 16 . 3035 . 1 1 10 CYS CB C -1.468 2.843 2.514 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 16 . 3036 . 1 1 10 CYS H H -3.338 1.719 1.225 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 16 . 3037 . 1 1 10 CYS HA H -2.190 4.274 1.096 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 16 . 3038 . 1 1 10 CYS HB2 H -0.551 3.351 2.774 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 16 . 3039 . 1 1 10 CYS HB3 H -2.246 3.144 3.200 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 16 . 3040 . 1 1 10 CYS N N -2.997 2.430 0.641 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 16 . 3041 . 1 1 10 CYS O O -0.517 2.065 -0.502 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 16 . 3042 . 1 1 10 CYS SG S -1.192 1.056 2.734 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 16 . 3043 . 1 1 11 PHE C C 2.355 3.116 -0.270 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 16 . 3044 . 1 1 11 PHE CA C 1.323 4.121 -0.772 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 16 . 3045 . 1 1 11 PHE CB C 1.946 5.517 -0.841 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 16 . 3046 . 1 1 11 PHE CD1 C 0.131 7.190 -1.298 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 16 . 3047 . 1 1 11 PHE CD2 C 1.605 6.603 -3.077 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 16 . 3048 . 1 1 11 PHE CE1 C -0.545 8.054 -2.137 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 16 . 3049 . 1 1 11 PHE CE2 C 0.934 7.467 -3.922 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 16 . 3050 . 1 1 11 PHE CG C 1.213 6.456 -1.756 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 16 . 3051 . 1 1 11 PHE CZ C -0.144 8.192 -3.452 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 16 . 3052 . 1 1 11 PHE H H -0.039 4.926 0.635 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 16 . 3053 . 1 1 11 PHE HA H 1.005 3.828 -1.761 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 16 . 3054 . 1 1 11 PHE HB2 H 1.946 5.952 0.147 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 16 . 3055 . 1 1 11 PHE HB3 H 2.961 5.432 -1.194 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 16 . 3056 . 1 1 11 PHE HD1 H -0.184 7.081 -0.269 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 16 . 3057 . 1 1 11 PHE HD2 H 2.447 6.036 -3.446 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 16 . 3058 . 1 1 11 PHE HE1 H -1.387 8.620 -1.766 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 16 . 3059 . 1 1 11 PHE HE2 H 1.249 7.572 -4.949 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 16 . 3060 . 1 1 11 PHE HZ H -0.669 8.868 -4.110 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 16 . 3061 . 1 1 11 PHE N N 0.146 4.133 0.090 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 16 . 3062 . 1 1 11 PHE O O 2.385 2.756 0.907 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 16 . 3063 . 1 1 12 PRO C C 5.364 2.282 0.018 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 16 . 3064 . 1 1 12 PRO CA C 4.269 1.680 -0.856 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 16 . 3065 . 1 1 12 PRO CB C 4.831 1.291 -2.226 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 16 . 3066 . 1 1 12 PRO CD C 3.241 3.035 -2.603 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 16 . 3067 . 1 1 12 PRO CG C 4.538 2.460 -3.100 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 16 . 3068 . 1 1 12 PRO HA H 3.863 0.804 -0.370 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 16 . 3069 . 1 1 12 PRO HB2 H 5.895 1.115 -2.144 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 16 . 3070 . 1 1 12 PRO HB3 H 4.339 0.399 -2.581 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 16 . 3071 . 1 1 12 PRO HD2 H 3.238 4.109 -2.712 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 16 . 3072 . 1 1 12 PRO HD3 H 2.407 2.598 -3.133 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 16 . 3073 . 1 1 12 PRO HG2 H 5.329 3.190 -3.016 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 16 . 3074 . 1 1 12 PRO HG3 H 4.435 2.134 -4.125 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 16 . 3075 . 1 1 12 PRO N N 3.220 2.650 -1.182 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 16 . 3076 . 1 1 12 PRO O O 5.680 3.467 -0.095 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 16 . 3077 . 1 1 13 ASP C C 8.154 0.913 1.803 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 16 . 3078 . 1 1 13 ASP CA C 7.001 1.912 1.781 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 16 . 3079 . 1 1 13 ASP CB C 6.456 2.112 3.195 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 16 . 3080 . 1 1 13 ASP CG C 7.468 2.761 4.119 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 16 . 3081 . 1 1 13 ASP H H 5.645 0.526 0.931 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 16 . 3082 . 1 1 13 ASP HA H 7.368 2.856 1.409 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 16 . 3083 . 1 1 13 ASP HB2 H 5.581 2.743 3.151 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 16 . 3084 . 1 1 13 ASP HB3 H 6.182 1.152 3.608 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 16 . 3085 . 1 1 13 ASP N N 5.940 1.460 0.889 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 16 . 3086 . 1 1 13 ASP O O 8.030 -0.180 2.356 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 16 . 3087 . 1 1 13 ASP OD1 O 8.501 3.252 3.617 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 16 . 3088 . 1 1 13 ASP OD2 O 7.227 2.778 5.344 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 17 . 3089 . 1 1 1 GLY C C 8.759 -0.752 -0.711 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 17 . 3090 . 1 1 1 GLY CA C 9.772 0.038 0.094 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 17 . 3091 . 1 1 1 GLY H1 H 9.696 1.585 1.538 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 17 . 3092 . 1 1 1 GLY HA2 H 10.475 0.497 -0.585 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 17 . 3093 . 1 1 1 GLY HA3 H 10.305 -0.640 0.745 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 17 . 3094 . 1 1 1 GLY N N 9.154 1.074 0.901 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 17 . 3095 . 1 1 1 GLY O O 8.539 -0.474 -1.889 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 17 . 3096 . 1 1 2 ARG C C 5.745 -2.008 -0.547 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 17 . 3097 . 1 1 2 ARG CA C 7.148 -2.576 -0.738 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 17 . 3098 . 1 1 2 ARG CB C 7.209 -4.007 -0.197 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 17 . 3099 . 1 1 2 ARG CD C 7.891 -5.426 -2.156 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 17 . 3100 . 1 1 2 ARG CG C 8.315 -4.845 -0.815 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 17 . 3101 . 1 1 2 ARG CZ C 9.622 -7.128 -2.543 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 17 . 3102 . 1 1 2 ARG H H 8.360 -1.915 0.866 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 17 . 3103 . 1 1 2 ARG HA H 7.379 -2.590 -1.792 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 17 . 3104 . 1 1 2 ARG HB2 H 7.370 -3.968 0.870 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3105 . 1 1 2 ARG HB3 H 6.265 -4.492 -0.393 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3106 . 1 1 2 ARG HD2 H 7.159 -6.201 -1.982 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 17 . 3107 . 1 1 2 ARG HD3 H 7.448 -4.640 -2.748 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 17 . 3108 . 1 1 2 ARG HE H 9.343 -5.508 -3.673 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 17 . 3109 . 1 1 2 ARG HG2 H 9.185 -4.224 -0.965 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 17 . 3110 . 1 1 2 ARG HG3 H 8.559 -5.654 -0.143 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 17 . 3111 . 1 1 2 ARG HH11 H 8.437 -7.470 -0.943 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 17 . 3112 . 1 1 2 ARG HH12 H 9.660 -8.662 -1.227 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 17 . 3113 . 1 1 2 ARG HH21 H 10.958 -7.071 -4.058 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 17 . 3114 . 1 1 2 ARG HH22 H 11.095 -8.434 -2.999 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 17 . 3115 . 1 1 2 ARG N N 8.141 -1.742 -0.073 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 17 . 3116 . 1 1 2 ARG NE N 9.019 -5.995 -2.887 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 17 . 3117 . 1 1 2 ARG NH1 N 9.206 -7.809 -1.484 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 17 . 3118 . 1 1 2 ARG NH2 N 10.642 -7.583 -3.259 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 17 . 3119 . 1 1 2 ARG O O 5.479 -1.241 0.379 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 17 . 3120 . 1 1 3 PRO C C 2.669 -2.520 -0.216 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 17 . 3121 . 1 1 3 PRO CA C 3.433 -1.932 -1.397 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 17 . 3122 . 1 1 3 PRO CB C 2.848 -2.437 -2.719 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 17 . 3123 . 1 1 3 PRO CD C 5.071 -3.303 -2.575 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 17 . 3124 . 1 1 3 PRO CG C 3.689 -3.611 -3.082 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 17 . 3125 . 1 1 3 PRO HA H 3.373 -0.854 -1.364 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 17 . 3126 . 1 1 3 PRO HB2 H 1.815 -2.720 -2.572 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3127 . 1 1 3 PRO HB3 H 2.911 -1.660 -3.464 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3128 . 1 1 3 PRO HD2 H 5.561 -4.206 -2.242 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 17 . 3129 . 1 1 3 PRO HD3 H 5.654 -2.815 -3.342 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 17 . 3130 . 1 1 3 PRO HG2 H 3.305 -4.500 -2.604 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 17 . 3131 . 1 1 3 PRO HG3 H 3.703 -3.735 -4.154 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 17 . 3132 . 1 1 3 PRO N N 4.825 -2.391 -1.445 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 17 . 3133 . 1 1 3 PRO O O 3.035 -3.570 0.313 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 17 . 3134 . 1 1 4 CYS C C -0.652 -2.537 0.870 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 17 . 3135 . 1 1 4 CYS CA C 0.788 -2.291 1.312 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 17 . 3136 . 1 1 4 CYS CB C 0.817 -1.261 2.442 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 17 . 3137 . 1 1 4 CYS H H 1.362 -1.006 -0.269 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 17 . 3138 . 1 1 4 CYS HA H 1.204 -3.219 1.671 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 17 . 3139 . 1 1 4 CYS HB2 H 0.039 -1.496 3.154 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3140 . 1 1 4 CYS HB3 H 1.776 -1.309 2.938 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3141 . 1 1 4 CYS N N 1.605 -1.836 0.193 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 17 . 3142 . 1 1 4 CYS O O -1.470 -1.617 0.845 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 17 . 3143 . 1 1 4 CYS SG S 0.562 0.456 1.891 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 17 . 3144 . 1 1 5 TYR C C -3.324 -3.868 1.168 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 17 . 3145 . 1 1 5 TYR CA C -2.293 -4.149 0.079 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 17 . 3146 . 1 1 5 TYR CB C -2.338 -5.628 -0.311 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 17 . 3147 . 1 1 5 TYR CD1 C -0.068 -6.337 -1.162 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 17 . 3148 . 1 1 5 TYR CD2 C -1.805 -5.978 -2.754 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 17 . 3149 . 1 1 5 TYR CE1 C 0.804 -6.666 -2.180 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 17 . 3150 . 1 1 5 TYR CE2 C -0.940 -6.307 -3.779 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 17 . 3151 . 1 1 5 TYR CG C -1.386 -5.988 -1.430 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 17 . 3152 . 1 1 5 TYR CZ C 0.364 -6.649 -3.488 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 17 . 3153 . 1 1 5 TYR H H -0.259 -4.472 0.563 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 17 . 3154 . 1 1 5 TYR HA H -2.531 -3.551 -0.788 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 17 . 3155 . 1 1 5 TYR HB2 H -2.079 -6.227 0.548 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3156 . 1 1 5 TYR HB3 H -3.338 -5.879 -0.632 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3157 . 1 1 5 TYR HD1 H 0.274 -6.349 -0.137 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 17 . 3158 . 1 1 5 TYR HD2 H -2.827 -5.708 -2.979 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 17 . 3159 . 1 1 5 TYR HE1 H 1.825 -6.935 -1.953 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 17 . 3160 . 1 1 5 TYR HE2 H -1.284 -6.294 -4.803 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 17 . 3161 . 1 1 5 TYR HH H 1.322 -7.931 -4.553 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 17 . 3162 . 1 1 5 TYR N N -0.954 -3.783 0.523 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 17 . 3163 . 1 1 5 TYR O O -3.318 -4.501 2.225 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 17 . 3164 . 1 1 5 TYR OH O 1.229 -6.977 -4.506 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 17 . 3165 . 1 1 6 THR C C -6.367 -1.765 1.182 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 17 . 3166 . 1 1 6 THR CA C -5.246 -2.545 1.860 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 17 . 3167 . 1 1 6 THR CB C -4.672 -1.700 3.014 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 17 . 3168 . 1 1 6 THR CG2 C -4.247 -2.586 4.174 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 17 . 3169 . 1 1 6 THR H H -4.163 -2.443 0.044 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 17 . 3170 . 1 1 6 THR HA H -5.654 -3.455 2.275 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 17 . 3171 . 1 1 6 THR HB H -5.440 -1.023 3.359 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 17 . 3172 . 1 1 6 THR HG1 H -3.861 -0.120 2.156 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 17 . 3173 . 1 1 6 THR HG21 H -3.271 -3.003 3.971 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 17 . 3174 . 1 1 6 THR HG22 H -4.961 -3.388 4.295 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 17 . 3175 . 1 1 6 THR HG23 H -4.207 -2.000 5.079 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 17 . 3176 . 1 1 6 THR N N -4.209 -2.912 0.904 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 17 . 3177 . 1 1 6 THR O O -6.157 -1.126 0.151 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 17 . 3178 . 1 1 6 THR OG1 O -3.551 -0.938 2.552 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 17 . 3179 . 1 1 7 LEU C C -8.413 0.365 1.041 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 17 . 3180 . 1 1 7 LEU CA C -8.714 -1.119 1.221 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 17 . 3181 . 1 1 7 LEU CB C -9.926 -1.298 2.138 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 17 . 3182 . 1 1 7 LEU CD1 C -9.856 -3.779 2.487 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 17 . 3183 . 1 1 7 LEU CD2 C -12.017 -2.545 2.734 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 17 . 3184 . 1 1 7 LEU CG C -10.692 -2.612 1.988 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 17 . 3185 . 1 1 7 LEU H H -7.664 -2.348 2.588 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 17 . 3186 . 1 1 7 LEU HA H -8.936 -1.549 0.256 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 17 . 3187 . 1 1 7 LEU HB2 H -9.580 -1.232 3.158 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3188 . 1 1 7 LEU HB3 H -10.612 -0.488 1.939 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3189 . 1 1 7 LEU HD11 H -9.269 -4.177 1.673 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 17 . 3190 . 1 1 7 LEU HD12 H -10.508 -4.550 2.872 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 17 . 3191 . 1 1 7 LEU HD13 H -9.198 -3.440 3.274 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 17 . 3192 . 1 1 7 LEU HD21 H -12.348 -3.545 2.970 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 17 . 3193 . 1 1 7 LEU HD22 H -12.755 -2.058 2.113 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 17 . 3194 . 1 1 7 LEU HD23 H -11.887 -1.983 3.647 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 17 . 3195 . 1 1 7 LEU HG H -10.905 -2.779 0.941 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 17 . 3196 . 1 1 7 LEU N N -7.558 -1.822 1.768 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 17 . 3197 . 1 1 7 LEU O O -8.886 0.993 0.093 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 17 . 3198 . 1 1 8 GLN C C -6.348 2.607 0.702 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 17 . 3199 . 1 1 8 GLN CA C -7.259 2.329 1.894 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 17 . 3200 . 1 1 8 GLN CB C -6.566 2.755 3.189 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 17 . 3201 . 1 1 8 GLN CD C -8.688 3.707 4.175 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 17 . 3202 . 1 1 8 GLN CG C -7.495 2.797 4.391 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 17 . 3203 . 1 1 8 GLN H H -7.278 0.367 2.685 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 17 . 3204 . 1 1 8 GLN HA H -8.166 2.902 1.778 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 17 . 3205 . 1 1 8 GLN HB2 H -5.768 2.059 3.402 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3206 . 1 1 8 GLN HB3 H -6.146 3.741 3.053 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3207 . 1 1 8 GLN HE21 H -7.703 5.232 4.987 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 17 . 3208 . 1 1 8 GLN HE22 H -9.309 5.575 4.450 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 17 . 3209 . 1 1 8 GLN HG2 H -7.855 1.798 4.587 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 17 . 3210 . 1 1 8 GLN HG3 H -6.940 3.152 5.247 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 17 . 3211 . 1 1 8 GLN N N -7.623 0.919 1.954 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 17 . 3212 . 1 1 8 GLN NE2 N -8.554 4.965 4.578 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 17 . 3213 . 1 1 8 GLN O O -6.283 3.731 0.207 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 17 . 3214 . 1 1 8 GLN OE1 O -9.719 3.284 3.651 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 17 . 3215 . 1 1 9 SER C C -3.572 2.628 -0.540 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 17 . 3216 . 1 1 9 SER CA C -4.737 1.706 -0.885 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 17 . 3217 . 1 1 9 SER CB C -5.484 2.244 -2.107 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 17 . 3218 . 1 1 9 SER H H -5.743 0.701 0.684 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 17 . 3219 . 1 1 9 SER HA H -4.349 0.725 -1.116 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 17 . 3220 . 1 1 9 SER HB2 H -6.502 1.887 -2.090 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3221 . 1 1 9 SER HB3 H -5.482 3.324 -2.079 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3222 . 1 1 9 SER HG H -4.724 2.574 -3.882 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 17 . 3223 . 1 1 9 SER N N -5.647 1.573 0.246 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 17 . 3224 . 1 1 9 SER O O -3.200 3.499 -1.326 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 17 . 3225 . 1 1 9 SER OG O -4.869 1.817 -3.310 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 17 . 3226 . 1 1 10 CYS C C -0.684 3.096 0.153 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 17 . 3227 . 1 1 10 CYS CA C -1.876 3.242 1.096 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 17 . 3228 . 1 1 10 CYS CB C -1.470 2.840 2.515 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 17 . 3229 . 1 1 10 CYS H H -3.340 1.718 1.227 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 17 . 3230 . 1 1 10 CYS HA H -2.192 4.273 1.099 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 17 . 3231 . 1 1 10 CYS HB2 H -0.551 3.348 2.774 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3232 . 1 1 10 CYS HB3 H -2.246 3.141 3.202 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3233 . 1 1 10 CYS N N -2.999 2.429 0.643 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 17 . 3234 . 1 1 10 CYS O O -0.520 2.067 -0.503 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 17 . 3235 . 1 1 10 CYS SG S -1.195 1.053 2.733 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 17 . 3236 . 1 1 11 PHE C C 2.352 3.118 -0.270 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 17 . 3237 . 1 1 11 PHE CA C 1.319 4.122 -0.772 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 17 . 3238 . 1 1 11 PHE CB C 1.940 5.518 -0.842 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 17 . 3239 . 1 1 11 PHE CD1 C 1.551 6.438 -3.144 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 17 . 3240 . 1 1 11 PHE CD2 C 0.259 7.312 -1.340 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 17 . 3241 . 1 1 11 PHE CE1 C 0.905 7.286 -4.023 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 17 . 3242 . 1 1 11 PHE CE2 C -0.391 8.163 -2.215 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 17 . 3243 . 1 1 11 PHE CG C 1.236 6.441 -1.794 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 17 . 3244 . 1 1 11 PHE CZ C -0.067 8.150 -3.557 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 17 . 3245 . 1 1 11 PHE H H -0.041 4.926 0.636 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 17 . 3246 . 1 1 11 PHE HA H 1.001 3.829 -1.761 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 17 . 3247 . 1 1 11 PHE HB2 H 1.909 5.968 0.140 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3248 . 1 1 11 PHE HB3 H 2.968 5.431 -1.160 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3249 . 1 1 11 PHE HD1 H 2.312 5.762 -3.508 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 17 . 3250 . 1 1 11 PHE HD2 H 0.004 7.324 -0.291 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 17 . 3251 . 1 1 11 PHE HE1 H 1.160 7.274 -5.072 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 17 . 3252 . 1 1 11 PHE HE2 H -1.151 8.837 -1.849 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 17 . 3253 . 1 1 11 PHE HZ H -0.575 8.813 -4.243 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 17 . 3254 . 1 1 11 PHE N N 0.144 4.133 0.090 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 17 . 3255 . 1 1 11 PHE O O 2.385 2.759 0.908 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 17 . 3256 . 1 1 12 PRO C C 5.363 2.287 0.015 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 17 . 3257 . 1 1 12 PRO CA C 4.268 1.682 -0.857 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 17 . 3258 . 1 1 12 PRO CB C 4.829 1.294 -2.227 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 17 . 3259 . 1 1 12 PRO CD C 3.236 3.037 -2.604 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 17 . 3260 . 1 1 12 PRO CG C 4.534 2.463 -3.103 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 17 . 3261 . 1 1 12 PRO HA H 3.862 0.808 -0.370 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 17 . 3262 . 1 1 12 PRO HB2 H 5.893 1.118 -2.146 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3263 . 1 1 12 PRO HB3 H 4.337 0.401 -2.582 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3264 . 1 1 12 PRO HD2 H 3.233 4.111 -2.714 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 17 . 3265 . 1 1 12 PRO HD3 H 2.402 2.599 -3.133 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 17 . 3266 . 1 1 12 PRO HG2 H 5.324 3.193 -3.020 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 17 . 3267 . 1 1 12 PRO HG3 H 4.430 2.136 -4.127 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 17 . 3268 . 1 1 12 PRO N N 3.217 2.652 -1.183 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 17 . 3269 . 1 1 12 PRO O O 5.674 3.473 -0.094 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 17 . 3270 . 1 1 13 ASP C C 8.157 0.915 1.798 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 17 . 3271 . 1 1 13 ASP CA C 7.006 1.916 1.772 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 17 . 3272 . 1 1 13 ASP CB C 6.461 2.123 3.186 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 17 . 3273 . 1 1 13 ASP CG C 5.653 3.398 3.314 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 17 . 3274 . 1 1 13 ASP H H 5.652 0.529 0.921 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 17 . 3275 . 1 1 13 ASP HA H 7.374 2.859 1.397 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 17 . 3276 . 1 1 13 ASP HB2 H 5.826 1.288 3.446 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 17 . 3277 . 1 1 13 ASP HB3 H 7.288 2.171 3.879 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 17 . 3278 . 1 1 13 ASP N N 5.944 1.463 0.881 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 17 . 3279 . 1 1 13 ASP O O 8.032 -0.176 2.355 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 17 . 3280 . 1 1 13 ASP OD1 O 4.728 3.598 2.500 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 17 . 3281 . 1 1 13 ASP OD2 O 5.945 4.198 4.228 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 18 . 3282 . 1 1 1 GLY C C 8.637 -1.179 -0.608 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 18 . 3283 . 1 1 1 GLY CA C 9.534 0.025 -0.401 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 18 . 3284 . 1 1 1 GLY H1 H 9.287 2.011 0.289 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 18 . 3285 . 1 1 1 GLY HA2 H 9.955 0.314 -1.352 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 18 . 3286 . 1 1 1 GLY HA3 H 10.337 -0.250 0.268 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 18 . 3287 . 1 1 1 GLY N N 8.823 1.157 0.162 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 18 . 3288 . 1 1 1 GLY O O 8.457 -1.642 -1.735 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 18 . 3289 . 1 1 2 ARG C C 5.808 -2.452 -0.088 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 18 . 3290 . 1 1 2 ARG CA C 7.192 -2.849 0.416 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 18 . 3291 . 1 1 2 ARG CB C 7.076 -3.508 1.791 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 18 . 3292 . 1 1 2 ARG CD C 8.331 -4.687 3.623 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 18 . 3293 . 1 1 2 ARG CG C 8.407 -3.649 2.513 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 18 . 3294 . 1 1 2 ARG CZ C 7.060 -5.095 5.687 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 18 . 3295 . 1 1 2 ARG H H 8.255 -1.276 1.352 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 18 . 3296 . 1 1 2 ARG HA H 7.625 -3.555 -0.277 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 18 . 3297 . 1 1 2 ARG HB2 H 6.419 -2.914 2.408 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3298 . 1 1 2 ARG HB3 H 6.651 -4.492 1.671 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3299 . 1 1 2 ARG HD2 H 8.050 -5.635 3.191 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 18 . 3300 . 1 1 2 ARG HD3 H 9.306 -4.775 4.081 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 18 . 3301 . 1 1 2 ARG HE H 6.899 -3.462 4.553 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 18 . 3302 . 1 1 2 ARG HG2 H 9.161 -3.952 1.803 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 18 . 3303 . 1 1 2 ARG HG3 H 8.675 -2.695 2.942 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 18 . 3304 . 1 1 2 ARG HH11 H 8.342 -6.569 5.172 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 18 . 3305 . 1 1 2 ARG HH12 H 7.439 -6.844 6.625 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 18 . 3306 . 1 1 2 ARG HH21 H 5.705 -3.812 6.465 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 18 . 3307 . 1 1 2 ARG HH22 H 5.940 -5.276 7.359 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 18 . 3308 . 1 1 2 ARG N N 8.073 -1.689 0.483 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 18 . 3309 . 1 1 2 ARG NE N 7.355 -4.324 4.647 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 18 . 3310 . 1 1 2 ARG NH1 N 7.663 -6.266 5.840 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 18 . 3311 . 1 1 2 ARG NH2 N 6.161 -4.694 6.577 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 18 . 3312 . 1 1 2 ARG O O 5.368 -1.312 0.064 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 18 . 3313 . 1 1 3 PRO C C 2.719 -2.992 -0.142 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 18 . 3314 . 1 1 3 PRO CA C 3.758 -3.187 -1.241 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 18 . 3315 . 1 1 3 PRO CB C 3.471 -4.468 -2.027 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 18 . 3316 . 1 1 3 PRO CD C 5.564 -4.795 -0.919 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 18 . 3317 . 1 1 3 PRO CG C 4.324 -5.507 -1.383 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 18 . 3318 . 1 1 3 PRO HA H 3.736 -2.340 -1.910 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 18 . 3319 . 1 1 3 PRO HB2 H 2.421 -4.715 -1.948 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3320 . 1 1 3 PRO HB3 H 3.737 -4.327 -3.063 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3321 . 1 1 3 PRO HD2 H 5.926 -5.229 0.001 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 18 . 3322 . 1 1 3 PRO HD3 H 6.328 -4.830 -1.682 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 18 . 3323 . 1 1 3 PRO HG2 H 3.803 -5.940 -0.543 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 18 . 3324 . 1 1 3 PRO HG3 H 4.578 -6.270 -2.104 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 18 . 3325 . 1 1 3 PRO N N 5.103 -3.413 -0.703 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 18 . 3326 . 1 1 3 PRO O O 2.823 -3.577 0.936 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 18 . 3327 . 1 1 4 CYS C C -0.702 -2.307 -0.013 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 18 . 3328 . 1 1 4 CYS CA C 0.657 -1.893 0.542 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 18 . 3329 . 1 1 4 CYS CB C 0.641 -0.407 0.906 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 18 . 3330 . 1 1 4 CYS H H 1.688 -1.728 -1.300 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 18 . 3331 . 1 1 4 CYS HA H 0.861 -2.471 1.430 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 18 . 3332 . 1 1 4 CYS HB2 H 1.602 -0.135 1.317 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3333 . 1 1 4 CYS HB3 H 0.460 0.172 0.012 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3334 . 1 1 4 CYS N N 1.716 -2.166 -0.422 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 18 . 3335 . 1 1 4 CYS O O -1.344 -1.552 -0.743 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 18 . 3336 . 1 1 4 CYS SG S -0.632 0.045 2.128 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 18 . 3337 . 1 1 5 TYR C C -3.481 -3.904 0.964 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 18 . 3338 . 1 1 5 TYR CA C -2.419 -4.029 -0.124 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 18 . 3339 . 1 1 5 TYR CB C -2.279 -5.491 -0.550 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 18 . 3340 . 1 1 5 TYR CD1 C -1.161 -5.032 -2.768 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 18 . 3341 . 1 1 5 TYR CD2 C -0.164 -6.638 -1.315 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 18 . 3342 . 1 1 5 TYR CE1 C -0.160 -5.243 -3.696 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 18 . 3343 . 1 1 5 TYR CE2 C 0.842 -6.853 -2.238 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 18 . 3344 . 1 1 5 TYR CG C -1.181 -5.724 -1.564 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 18 . 3345 . 1 1 5 TYR CZ C 0.840 -6.153 -3.427 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 18 . 3346 . 1 1 5 TYR H H -0.580 -4.069 0.924 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 18 . 3347 . 1 1 5 TYR HA H -2.724 -3.443 -0.978 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 18 . 3348 . 1 1 5 TYR HB2 H -2.062 -6.093 0.318 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3349 . 1 1 5 TYR HB3 H -3.210 -5.822 -0.988 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3350 . 1 1 5 TYR HD1 H -1.947 -4.320 -2.976 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 18 . 3351 . 1 1 5 TYR HD2 H -0.164 -7.184 -0.383 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 18 . 3352 . 1 1 5 TYR HE1 H -0.162 -4.695 -4.627 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 18 . 3353 . 1 1 5 TYR HE2 H 1.626 -7.567 -2.027 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 18 . 3354 . 1 1 5 TYR HH H 1.612 -7.120 -4.898 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 18 . 3355 . 1 1 5 TYR N N -1.136 -3.512 0.340 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 18 . 3356 . 1 1 5 TYR O O -3.463 -4.636 1.955 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 18 . 3357 . 1 1 5 TYR OH O 1.839 -6.366 -4.348 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 18 . 3358 . 1 1 6 THR C C -6.653 -2.016 1.093 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 18 . 3359 . 1 1 6 THR CA C -5.479 -2.748 1.735 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 18 . 3360 . 1 1 6 THR CB C -4.985 -1.937 2.947 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 18 . 3361 . 1 1 6 THR CG2 C -4.435 -2.858 4.026 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 18 . 3362 . 1 1 6 THR H H -4.370 -2.419 -0.038 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 18 . 3363 . 1 1 6 THR HA H -5.818 -3.712 2.087 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 18 . 3364 . 1 1 6 THR HB H -5.819 -1.386 3.357 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 18 . 3365 . 1 1 6 THR HG1 H -4.167 -0.692 1.655 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 18 . 3366 . 1 1 6 THR HG21 H -4.381 -2.323 4.964 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 18 . 3367 . 1 1 6 THR HG22 H -3.448 -3.193 3.744 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 18 . 3368 . 1 1 6 THR HG23 H -5.087 -3.711 4.137 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 18 . 3369 . 1 1 6 THR N N -4.408 -2.971 0.772 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 18 . 3370 . 1 1 6 THR O O -6.595 -1.637 -0.078 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 18 . 3371 . 1 1 6 THR OG1 O -3.970 -1.014 2.539 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 18 . 3372 . 1 1 7 LEU C C -8.584 0.319 1.019 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 18 . 3373 . 1 1 7 LEU CA C -8.903 -1.130 1.372 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 18 . 3374 . 1 1 7 LEU CB C -10.016 -1.180 2.419 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 18 . 3375 . 1 1 7 LEU CD1 C -10.342 -3.604 2.966 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 18 . 3376 . 1 1 7 LEU CD2 C -12.299 -2.045 2.994 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 18 . 3377 . 1 1 7 LEU CG C -10.969 -2.374 2.330 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 18 . 3378 . 1 1 7 LEU H H -7.702 -2.143 2.789 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 18 . 3379 . 1 1 7 LEU HA H -9.235 -1.641 0.480 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 18 . 3380 . 1 1 7 LEU HB2 H -9.554 -1.198 3.393 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3381 . 1 1 7 LEU HB3 H -10.605 -0.278 2.318 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3382 . 1 1 7 LEU HD11 H -9.283 -3.444 3.093 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 18 . 3383 . 1 1 7 LEU HD12 H -10.503 -4.460 2.327 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 18 . 3384 . 1 1 7 LEU HD13 H -10.798 -3.783 3.929 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 18 . 3385 . 1 1 7 LEU HD21 H -12.228 -2.240 4.055 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 18 . 3386 . 1 1 7 LEU HD22 H -13.075 -2.662 2.567 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 18 . 3387 . 1 1 7 LEU HD23 H -12.534 -1.004 2.834 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 18 . 3388 . 1 1 7 LEU HG H -11.160 -2.596 1.289 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 18 . 3389 . 1 1 7 LEU N N -7.715 -1.818 1.866 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 18 . 3390 . 1 1 7 LEU O O -9.125 0.866 0.058 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 18 . 3391 . 1 1 8 GLN C C -6.159 2.401 0.577 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 18 . 3392 . 1 1 8 GLN CA C -7.313 2.319 1.570 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 18 . 3393 . 1 1 8 GLN CB C -6.915 2.986 2.888 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 18 . 3394 . 1 1 8 GLN CD C -7.588 3.456 5.278 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 18 . 3395 . 1 1 8 GLN CG C -8.060 3.102 3.882 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 18 . 3396 . 1 1 8 GLN H H -7.308 0.444 2.553 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 18 . 3397 . 1 1 8 GLN HA H -8.164 2.839 1.158 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 18 . 3398 . 1 1 8 GLN HB2 H -6.127 2.408 3.347 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3399 . 1 1 8 GLN HB3 H -6.547 3.979 2.679 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3400 . 1 1 8 GLN HE21 H -9.236 4.524 5.592 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 18 . 3401 . 1 1 8 GLN HE22 H -8.113 4.473 6.903 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 18 . 3402 . 1 1 8 GLN HG2 H -8.738 3.872 3.542 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 18 . 3403 . 1 1 8 GLN HG3 H -8.582 2.158 3.923 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 18 . 3404 . 1 1 8 GLN N N -7.703 0.934 1.802 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 18 . 3405 . 1 1 8 GLN NE2 N -8.393 4.230 5.997 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 18 . 3406 . 1 1 8 GLN O O -5.978 3.415 -0.096 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 18 . 3407 . 1 1 8 GLN OE1 O -6.512 3.038 5.706 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 18 . 3408 . 1 1 9 SER C C -3.256 2.402 -0.113 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 18 . 3409 . 1 1 9 SER CA C -4.242 1.279 -0.417 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 18 . 3410 . 1 1 9 SER CB C -4.716 1.378 -1.868 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 18 . 3411 . 1 1 9 SER H H -5.577 0.549 1.055 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 18 . 3412 . 1 1 9 SER HA H -3.744 0.331 -0.274 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 18 . 3413 . 1 1 9 SER HB2 H -4.834 2.417 -2.135 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3414 . 1 1 9 SER HB3 H -3.980 0.922 -2.515 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3415 . 1 1 9 SER HG H -5.797 -0.208 -2.257 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 18 . 3416 . 1 1 9 SER N N -5.381 1.326 0.492 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 18 . 3417 . 1 1 9 SER O O -3.054 3.304 -0.927 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 18 . 3418 . 1 1 9 SER OG O -5.955 0.716 -2.047 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 18 . 3419 . 1 1 10 CYS C C -0.490 3.394 0.528 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 18 . 3420 . 1 1 10 CYS CA C -1.682 3.355 1.481 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 18 . 3421 . 1 1 10 CYS CB C -1.201 3.077 2.906 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 18 . 3422 . 1 1 10 CYS H H -2.849 1.600 1.673 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 18 . 3423 . 1 1 10 CYS HA H -2.176 4.314 1.456 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 18 . 3424 . 1 1 10 CYS HB2 H -0.764 3.979 3.312 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3425 . 1 1 10 CYS HB3 H -2.046 2.790 3.513 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3426 . 1 1 10 CYS N N -2.646 2.343 1.066 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 18 . 3427 . 1 1 10 CYS O O -0.145 2.387 -0.092 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 18 . 3428 . 1 1 10 CYS SG S 0.046 1.756 3.026 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 18 . 3429 . 1 1 11 PHE C C 2.341 3.663 -0.186 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 18 . 3430 . 1 1 11 PHE CA C 1.288 4.731 -0.459 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 18 . 3431 . 1 1 11 PHE CB C 1.896 6.123 -0.273 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 18 . 3432 . 1 1 11 PHE CD1 C -0.102 7.404 -1.087 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 18 . 3433 . 1 1 11 PHE CD2 C 2.034 7.934 -2.003 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 18 . 3434 . 1 1 11 PHE CE1 C -0.687 8.371 -1.883 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 18 . 3435 . 1 1 11 PHE CE2 C 1.455 8.903 -2.801 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 18 . 3436 . 1 1 11 PHE CG C 1.263 7.175 -1.138 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 18 . 3437 . 1 1 11 PHE CZ C 0.092 9.122 -2.740 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 18 . 3438 . 1 1 11 PHE H H -0.188 5.327 0.938 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 18 . 3439 . 1 1 11 PHE HA H 0.946 4.631 -1.478 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 18 . 3440 . 1 1 11 PHE HB2 H 1.776 6.425 0.757 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3441 . 1 1 11 PHE HB3 H 2.948 6.082 -0.512 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3442 . 1 1 11 PHE HD1 H -0.713 6.817 -0.417 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 18 . 3443 . 1 1 11 PHE HD2 H 3.101 7.765 -2.051 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 18 . 3444 . 1 1 11 PHE HE1 H -1.753 8.540 -1.833 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 18 . 3445 . 1 1 11 PHE HE2 H 2.068 9.489 -3.470 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 18 . 3446 . 1 1 11 PHE HZ H -0.362 9.878 -3.363 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 18 . 3447 . 1 1 11 PHE N N 0.134 4.560 0.417 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 18 . 3448 . 1 1 11 PHE O O 2.415 3.091 0.902 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 18 . 3449 . 1 1 12 PRO C C 5.363 2.825 -0.157 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 18 . 3450 . 1 1 12 PRO CA C 4.242 2.382 -1.091 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 18 . 3451 . 1 1 12 PRO CB C 4.759 2.261 -2.527 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 18 . 3452 . 1 1 12 PRO CD C 3.147 4.026 -2.522 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 18 . 3453 . 1 1 12 PRO CG C 4.430 3.568 -3.160 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 18 . 3454 . 1 1 12 PRO HA H 3.858 1.427 -0.763 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 18 . 3455 . 1 1 12 PRO HB2 H 5.825 2.084 -2.514 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3456 . 1 1 12 PRO HB3 H 4.259 1.444 -3.026 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3457 . 1 1 12 PRO HD2 H 3.135 5.101 -2.430 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 18 . 3458 . 1 1 12 PRO HD3 H 2.298 3.685 -3.095 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 18 . 3459 . 1 1 12 PRO HG2 H 5.219 4.278 -2.968 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 18 . 3460 . 1 1 12 PRO HG3 H 4.293 3.436 -4.223 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 18 . 3461 . 1 1 12 PRO N N 3.177 3.383 -1.197 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 18 . 3462 . 1 1 12 PRO O O 5.703 4.007 -0.096 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 18 . 3463 . 1 1 13 ASP C C 8.166 1.171 1.324 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 18 . 3464 . 1 1 13 ASP CA C 7.020 2.161 1.499 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 18 . 3465 . 1 1 13 ASP CB C 6.509 2.121 2.939 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 18 . 3466 . 1 1 13 ASP CG C 5.885 3.435 3.369 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 18 . 3467 . 1 1 13 ASP H H 5.620 0.946 0.475 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 18 . 3468 . 1 1 13 ASP HA H 7.383 3.154 1.283 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 18 . 3469 . 1 1 13 ASP HB2 H 5.763 1.345 3.029 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 18 . 3470 . 1 1 13 ASP HB3 H 7.334 1.900 3.601 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 18 . 3471 . 1 1 13 ASP N N 5.935 1.869 0.568 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 18 . 3472 . 1 1 13 ASP O O 8.488 0.411 2.240 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 18 . 3473 . 1 1 13 ASP OD1 O 5.432 4.194 2.487 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 18 . 3474 . 1 1 13 ASP OD2 O 5.851 3.703 4.588 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 19 . 3475 . 1 1 1 GLY C C 8.749 -0.738 -0.721 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 19 . 3476 . 1 1 1 GLY CA C 9.761 0.062 0.075 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 19 . 3477 . 1 1 1 GLY H1 H 9.496 2.006 0.875 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 19 . 3478 . 1 1 1 GLY HA2 H 10.455 0.527 -0.608 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 19 . 3479 . 1 1 1 GLY HA3 H 10.304 -0.609 0.723 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 19 . 3480 . 1 1 1 GLY N N 9.139 1.093 0.886 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 19 . 3481 . 1 1 1 GLY O O 8.526 -0.469 -1.901 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 19 . 3482 . 1 1 2 ARG C C 5.742 -2.005 -0.545 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 19 . 3483 . 1 1 2 ARG CA C 7.147 -2.570 -0.732 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 19 . 3484 . 1 1 2 ARG CB C 7.213 -3.995 -0.181 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 19 . 3485 . 1 1 2 ARG CD C 8.158 -6.305 -0.478 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 19 . 3486 . 1 1 2 ARG CG C 8.342 -4.824 -0.770 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 19 . 3487 . 1 1 2 ARG CZ C 10.293 -6.809 0.632 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 19 . 3488 . 1 1 2 ARG H H 8.358 -1.891 0.865 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 19 . 3489 . 1 1 2 ARG HA H 7.376 -2.591 -1.787 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 19 . 3490 . 1 1 2 ARG HB2 H 7.351 -3.948 0.890 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3491 . 1 1 2 ARG HB3 H 6.281 -4.494 -0.394 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3492 . 1 1 2 ARG HD2 H 7.617 -6.410 0.450 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 19 . 3493 . 1 1 2 ARG HD3 H 7.586 -6.747 -1.279 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 19 . 3494 . 1 1 2 ARG HE H 9.663 -7.649 -1.064 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 19 . 3495 . 1 1 2 ARG HG2 H 8.363 -4.679 -1.840 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 19 . 3496 . 1 1 2 ARG HG3 H 9.279 -4.495 -0.342 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 19 . 3497 . 1 1 2 ARG HH11 H 9.151 -5.434 1.572 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 19 . 3498 . 1 1 2 ARG HH12 H 10.658 -5.800 2.344 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 19 . 3499 . 1 1 2 ARG HH21 H 11.651 -8.139 -0.057 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 19 . 3500 . 1 1 2 ARG HH22 H 12.079 -7.337 1.416 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 19 . 3501 . 1 1 2 ARG N N 8.137 -1.725 -0.076 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 19 . 3502 . 1 1 2 ARG NE N 9.435 -7.004 -0.363 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 19 . 3503 . 1 1 2 ARG NH1 N 10.011 -5.943 1.595 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 19 . 3504 . 1 1 2 ARG NH2 N 11.435 -7.484 0.666 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 19 . 3505 . 1 1 2 ARG O O 5.473 -1.238 0.379 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 19 . 3506 . 1 1 3 PRO C C 2.666 -2.526 -0.217 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 19 . 3507 . 1 1 3 PRO CA C 3.431 -1.937 -1.398 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 19 . 3508 . 1 1 3 PRO CB C 2.848 -2.446 -2.719 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 19 . 3509 . 1 1 3 PRO CD C 5.074 -3.304 -2.571 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 19 . 3510 . 1 1 3 PRO CG C 3.694 -3.618 -3.079 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 19 . 3511 . 1 1 3 PRO HA H 3.367 -0.859 -1.366 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 19 . 3512 . 1 1 3 PRO HB2 H 1.816 -2.732 -2.574 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3513 . 1 1 3 PRO HB3 H 2.910 -1.669 -3.467 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3514 . 1 1 3 PRO HD2 H 5.566 -4.206 -2.236 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 19 . 3515 . 1 1 3 PRO HD3 H 5.657 -2.817 -3.339 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 19 . 3516 . 1 1 3 PRO HG2 H 3.312 -4.508 -2.602 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 19 . 3517 . 1 1 3 PRO HG3 H 3.709 -3.744 -4.152 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 19 . 3518 . 1 1 3 PRO N N 4.823 -2.392 -1.443 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 19 . 3519 . 1 1 3 PRO O O 3.032 -3.576 0.311 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 19 . 3520 . 1 1 4 CYS C C -0.654 -2.541 0.871 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 19 . 3521 . 1 1 4 CYS CA C 0.787 -2.298 1.312 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 19 . 3522 . 1 1 4 CYS CB C 0.817 -1.268 2.444 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 19 . 3523 . 1 1 4 CYS H H 1.361 -1.011 -0.268 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 19 . 3524 . 1 1 4 CYS HA H 1.202 -3.226 1.670 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 19 . 3525 . 1 1 4 CYS HB2 H 0.037 -1.503 3.155 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3526 . 1 1 4 CYS HB3 H 1.775 -1.319 2.940 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3527 . 1 1 4 CYS N N 1.604 -1.843 0.193 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 19 . 3528 . 1 1 4 CYS O O -1.471 -1.621 0.848 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 19 . 3529 . 1 1 4 CYS SG S 0.566 0.450 1.895 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 19 . 3530 . 1 1 5 TYR C C -3.326 -3.869 1.168 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 19 . 3531 . 1 1 5 TYR CA C -2.296 -4.151 0.079 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 19 . 3532 . 1 1 5 TYR CB C -2.343 -5.630 -0.311 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 19 . 3533 . 1 1 5 TYR CD1 C -1.243 -5.768 -2.580 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 19 . 3534 . 1 1 5 TYR CD2 C -0.110 -6.736 -0.721 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 19 . 3535 . 1 1 5 TYR CE1 C -0.212 -6.152 -3.415 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 19 . 3536 . 1 1 5 TYR CE2 C 0.927 -7.124 -1.548 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 19 . 3537 . 1 1 5 TYR CG C -1.211 -6.052 -1.220 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 19 . 3538 . 1 1 5 TYR CZ C 0.870 -6.829 -2.895 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 19 . 3539 . 1 1 5 TYR H H -0.261 -4.477 0.561 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 19 . 3540 . 1 1 5 TYR HA H -2.533 -3.554 -0.789 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 19 . 3541 . 1 1 5 TYR HB2 H -2.291 -6.233 0.583 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3542 . 1 1 5 TYR HB3 H -3.272 -5.832 -0.822 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3543 . 1 1 5 TYR HD1 H -2.093 -5.237 -2.985 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 19 . 3544 . 1 1 5 TYR HD2 H -0.070 -6.966 0.334 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 19 . 3545 . 1 1 5 TYR HE1 H -0.256 -5.922 -4.470 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 19 . 3546 . 1 1 5 TYR HE2 H 1.774 -7.655 -1.141 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 19 . 3547 . 1 1 5 TYR HH H 2.739 -7.032 -3.294 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 19 . 3548 . 1 1 5 TYR N N -0.956 -3.786 0.521 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 19 . 3549 . 1 1 5 TYR O O -3.321 -4.501 2.224 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 19 . 3550 . 1 1 5 TYR OH O 1.900 -7.214 -3.722 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 19 . 3551 . 1 1 6 THR C C -6.369 -1.763 1.181 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 19 . 3552 . 1 1 6 THR CA C -5.248 -2.544 1.859 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 19 . 3553 . 1 1 6 THR CB C -4.673 -1.701 3.012 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 19 . 3554 . 1 1 6 THR CG2 C -4.251 -2.586 4.174 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 19 . 3555 . 1 1 6 THR H H -4.165 -2.445 0.043 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 19 . 3556 . 1 1 6 THR HA H -5.656 -3.454 2.275 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 19 . 3557 . 1 1 6 THR HB H -5.440 -1.020 3.357 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 19 . 3558 . 1 1 6 THR HG1 H -3.780 -0.009 2.532 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 19 . 3559 . 1 1 6 THR HG21 H -4.916 -3.435 4.240 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 19 . 3560 . 1 1 6 THR HG22 H -4.298 -2.022 5.093 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 19 . 3561 . 1 1 6 THR HG23 H -3.242 -2.933 4.014 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 19 . 3562 . 1 1 6 THR N N -4.212 -2.913 0.902 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 19 . 3563 . 1 1 6 THR O O -6.158 -1.125 0.149 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 19 . 3564 . 1 1 6 THR OG1 O -3.550 -0.942 2.552 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 19 . 3565 . 1 1 7 LEU C C -8.411 0.371 1.040 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 19 . 3566 . 1 1 7 LEU CA C -8.714 -1.113 1.221 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 19 . 3567 . 1 1 7 LEU CB C -9.925 -1.290 2.139 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 19 . 3568 . 1 1 7 LEU CD1 C -10.050 -3.695 2.834 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 19 . 3569 . 1 1 7 LEU CD2 C -12.151 -2.416 2.382 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 19 . 3570 . 1 1 7 LEU CG C -10.693 -2.604 1.992 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 19 . 3571 . 1 1 7 LEU H H -7.665 -2.342 2.589 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 19 . 3572 . 1 1 7 LEU HA H -8.938 -1.543 0.256 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 19 . 3573 . 1 1 7 LEU HB2 H -9.580 -1.222 3.160 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3574 . 1 1 7 LEU HB3 H -10.612 -0.480 1.938 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3575 . 1 1 7 LEU HD11 H -9.499 -4.367 2.193 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 19 . 3576 . 1 1 7 LEU HD12 H -10.817 -4.245 3.357 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 19 . 3577 . 1 1 7 LEU HD13 H -9.377 -3.247 3.550 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 19 . 3578 . 1 1 7 LEU HD21 H -12.746 -3.202 1.939 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 19 . 3579 . 1 1 7 LEU HD22 H -12.498 -1.457 2.026 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 19 . 3580 . 1 1 7 LEU HD23 H -12.244 -2.457 3.457 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 19 . 3581 . 1 1 7 LEU HG H -10.660 -2.919 0.958 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 19 . 3582 . 1 1 7 LEU N N -7.559 -1.817 1.768 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 19 . 3583 . 1 1 7 LEU O O -8.883 0.998 0.091 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 19 . 3584 . 1 1 8 GLN C C -6.343 2.609 0.700 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 19 . 3585 . 1 1 8 GLN CA C -7.254 2.334 1.892 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 19 . 3586 . 1 1 8 GLN CB C -6.561 2.759 3.187 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 19 . 3587 . 1 1 8 GLN CD C -7.269 1.208 5.052 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 19 . 3588 . 1 1 8 GLN CG C -7.423 2.580 4.426 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 19 . 3589 . 1 1 8 GLN H H -7.275 0.372 2.685 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 19 . 3590 . 1 1 8 GLN HA H -8.160 2.907 1.774 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 19 . 3591 . 1 1 8 GLN HB2 H -5.664 2.172 3.312 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3592 . 1 1 8 GLN HB3 H -6.290 3.802 3.112 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3593 . 1 1 8 GLN HE21 H -9.045 1.379 5.929 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 19 . 3594 . 1 1 8 GLN HE22 H -8.198 -0.095 6.230 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 19 . 3595 . 1 1 8 GLN HG2 H -7.143 3.324 5.156 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 19 . 3596 . 1 1 8 GLN HG3 H -8.459 2.720 4.151 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 19 . 3597 . 1 1 8 GLN N N -7.620 0.924 1.953 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 19 . 3598 . 1 1 8 GLN NE2 N -8.271 0.788 5.815 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 19 . 3599 . 1 1 8 GLN O O -6.275 3.733 0.204 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 19 . 3600 . 1 1 8 GLN OE1 O -6.258 0.532 4.851 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 19 . 3601 . 1 1 9 SER C C -3.565 2.625 -0.540 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 19 . 3602 . 1 1 9 SER CA C -4.731 1.704 -0.885 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 19 . 3603 . 1 1 9 SER CB C -5.477 2.244 -2.108 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 19 . 3604 . 1 1 9 SER H H -5.740 0.702 0.684 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 19 . 3605 . 1 1 9 SER HA H -4.344 0.723 -1.114 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 19 . 3606 . 1 1 9 SER HB2 H -6.507 1.921 -2.070 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3607 . 1 1 9 SER HB3 H -5.437 3.324 -2.103 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3608 . 1 1 9 SER HG H -5.386 1.009 -3.627 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 19 . 3609 . 1 1 9 SER N N -5.643 1.574 0.246 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 19 . 3610 . 1 1 9 SER O O -3.192 3.496 -1.327 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 19 . 3611 . 1 1 9 SER OG O -4.894 1.771 -3.310 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 19 . 3612 . 1 1 10 CYS C C -0.678 3.090 0.153 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 19 . 3613 . 1 1 10 CYS CA C -1.869 3.238 1.095 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 19 . 3614 . 1 1 10 CYS CB C -1.463 2.838 2.516 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 19 . 3615 . 1 1 10 CYS H H -3.335 1.717 1.227 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 19 . 3616 . 1 1 10 CYS HA H -2.185 4.270 1.098 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 19 . 3617 . 1 1 10 CYS HB2 H -0.544 3.344 2.775 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3618 . 1 1 10 CYS HB3 H -2.241 3.139 3.202 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3619 . 1 1 10 CYS N N -2.993 2.426 0.643 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 19 . 3620 . 1 1 10 CYS O O -0.514 2.060 -0.502 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 19 . 3621 . 1 1 10 CYS SG S -1.191 1.050 2.735 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 19 . 3622 . 1 1 11 PHE C C 2.360 3.108 -0.268 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 19 . 3623 . 1 1 11 PHE CA C 1.328 4.113 -0.772 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 19 . 3624 . 1 1 11 PHE CB C 1.950 5.509 -0.841 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 19 . 3625 . 1 1 11 PHE CD1 C -0.066 6.616 -1.844 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 19 . 3626 . 1 1 11 PHE CD2 C 2.063 7.034 -2.831 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 19 . 3627 . 1 1 11 PHE CE1 C -0.665 7.439 -2.779 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 19 . 3628 . 1 1 11 PHE CE2 C 1.471 7.859 -3.768 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 19 . 3629 . 1 1 11 PHE CG C 1.304 6.405 -1.859 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 19 . 3630 . 1 1 11 PHE CZ C 0.104 8.061 -3.743 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 19 . 3631 . 1 1 11 PHE H H -0.033 4.920 0.636 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 19 . 3632 . 1 1 11 PHE HA H 1.010 3.820 -1.761 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 19 . 3633 . 1 1 11 PHE HB2 H 1.860 5.985 0.123 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3634 . 1 1 11 PHE HB3 H 2.995 5.417 -1.096 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3635 . 1 1 11 PHE HD1 H -0.669 6.129 -1.091 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 19 . 3636 . 1 1 11 PHE HD2 H 3.132 6.877 -2.852 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 19 . 3637 . 1 1 11 PHE HE1 H -1.734 7.594 -2.756 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 19 . 3638 . 1 1 11 PHE HE2 H 2.074 8.344 -4.521 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 19 . 3639 . 1 1 11 PHE HZ H -0.362 8.705 -4.473 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 19 . 3640 . 1 1 11 PHE N N 0.151 4.127 0.090 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 19 . 3641 . 1 1 11 PHE O O 2.391 2.750 0.909 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 19 . 3642 . 1 1 12 PRO C C 5.369 2.275 0.019 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 19 . 3643 . 1 1 12 PRO CA C 4.274 1.672 -0.855 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 19 . 3644 . 1 1 12 PRO CB C 4.835 1.283 -2.225 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 19 . 3645 . 1 1 12 PRO CD C 3.245 3.026 -2.602 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 19 . 3646 . 1 1 12 PRO CG C 4.543 2.451 -3.100 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 19 . 3647 . 1 1 12 PRO HA H 3.868 0.798 -0.368 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 19 . 3648 . 1 1 12 PRO HB2 H 5.900 1.106 -2.142 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3649 . 1 1 12 PRO HB3 H 4.343 0.390 -2.579 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3650 . 1 1 12 PRO HD2 H 3.243 4.101 -2.712 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 19 . 3651 . 1 1 12 PRO HD3 H 2.411 2.589 -3.132 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 19 . 3652 . 1 1 12 PRO HG2 H 5.333 3.181 -3.016 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 19 . 3653 . 1 1 12 PRO HG3 H 4.439 2.125 -4.125 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 19 . 3654 . 1 1 12 PRO N N 3.224 2.642 -1.181 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 19 . 3655 . 1 1 12 PRO O O 5.695 3.455 -0.104 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 19 . 3656 . 1 1 13 ASP C C 8.158 0.924 1.798 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 19 . 3657 . 1 1 13 ASP CA C 6.993 1.909 1.793 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 19 . 3658 . 1 1 13 ASP CB C 6.453 2.085 3.213 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 19 . 3659 . 1 1 13 ASP CG C 7.545 2.418 4.211 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 19 . 3660 . 1 1 13 ASP H H 5.630 0.526 0.951 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 19 . 3661 . 1 1 13 ASP HA H 7.347 2.863 1.432 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 19 . 3662 . 1 1 13 ASP HB2 H 5.729 2.887 3.220 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 19 . 3663 . 1 1 13 ASP HB3 H 5.973 1.169 3.524 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 19 . 3664 . 1 1 13 ASP N N 5.933 1.457 0.900 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 19 . 3665 . 1 1 13 ASP O O 8.063 -0.163 2.369 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 19 . 3666 . 1 1 13 ASP OD1 O 8.160 3.496 4.079 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 19 . 3667 . 1 1 13 ASP OD2 O 7.785 1.600 5.124 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 1
. 20 . 3668 . 1 1 1 GLY C C 9.099 -0.876 -0.584 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2ndm 1
. 20 . 3669 . 1 1 1 GLY CA C 9.920 0.224 0.059 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2ndm 1
. 20 . 3670 . 1 1 1 GLY H1 H 9.393 2.231 0.476 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2ndm 1
. 20 . 3671 . 1 1 1 GLY HA2 H 10.603 0.625 -0.675 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2ndm 1
. 20 . 3672 . 1 1 1 GLY HA3 H 10.489 -0.198 0.874 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2ndm 1
. 20 . 3673 . 1 1 1 GLY N N 9.095 1.302 0.572 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2ndm 1
. 20 . 3674 . 1 1 1 GLY O O 9.026 -0.970 -1.810 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2ndm 1
. 20 . 3675 . 1 1 2 ARG C C 6.208 -2.387 -0.401 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . rr_2ndm 1
. 20 . 3676 . 1 1 2 ARG CA C 7.665 -2.814 -0.252 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . rr_2ndm 1
. 20 . 3677 . 1 1 2 ARG CB C 7.762 -4.014 0.691 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . rr_2ndm 1
. 20 . 3678 . 1 1 2 ARG CD C 9.261 -5.641 1.883 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . rr_2ndm 1
. 20 . 3679 . 1 1 2 ARG CG C 9.149 -4.632 0.752 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . rr_2ndm 1
. 20 . 3680 . 1 1 2 ARG CZ C 10.998 -7.104 2.824 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . rr_2ndm 1
. 20 . 3681 . 1 1 2 ARG H H 8.578 -1.587 1.210 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . rr_2ndm 1
. 20 . 3682 . 1 1 2 ARG HA H 8.044 -3.099 -1.222 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . rr_2ndm 1
. 20 . 3683 . 1 1 2 ARG HB2 H 7.489 -3.697 1.687 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3684 . 1 1 2 ARG HB3 H 7.067 -4.774 0.362 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3685 . 1 1 2 ARG HD2 H 9.238 -5.113 2.824 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . rr_2ndm 1
. 20 . 3686 . 1 1 2 ARG HD3 H 8.420 -6.316 1.829 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . rr_2ndm 1
. 20 . 3687 . 1 1 2 ARG HE H 10.975 -6.423 0.950 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . rr_2ndm 1
. 20 . 3688 . 1 1 2 ARG HG2 H 9.351 -5.131 -0.183 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . rr_2ndm 1
. 20 . 3689 . 1 1 2 ARG HG3 H 9.875 -3.847 0.907 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . rr_2ndm 1
. 20 . 3690 . 1 1 2 ARG HH11 H 9.521 -6.603 4.109 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . rr_2ndm 1
. 20 . 3691 . 1 1 2 ARG HH12 H 10.753 -7.633 4.760 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . rr_2ndm 1
. 20 . 3692 . 1 1 2 ARG HH21 H 12.601 -7.780 1.796 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . rr_2ndm 1
. 20 . 3693 . 1 1 2 ARG HH22 H 12.504 -8.302 3.444 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . rr_2ndm 1
. 20 . 3694 . 1 1 2 ARG N N 8.481 -1.714 0.243 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . rr_2ndm 1
. 20 . 3695 . 1 1 2 ARG NE N 10.496 -6.416 1.804 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . rr_2ndm 1
. 20 . 3696 . 1 1 2 ARG NH1 N 10.373 -7.113 3.994 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . rr_2ndm 1
. 20 . 3697 . 1 1 2 ARG NH2 N 12.128 -7.784 2.676 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . rr_2ndm 1
. 20 . 3698 . 1 1 2 ARG O O 5.732 -1.472 0.271 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . rr_2ndm 1
. 20 . 3699 . 1 1 3 PRO C C 3.171 -3.170 -0.393 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2ndm 1
. 20 . 3700 . 1 1 3 PRO CA C 4.067 -2.771 -1.560 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2ndm 1
. 20 . 3701 . 1 1 3 PRO CB C 3.749 -3.620 -2.794 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2ndm 1
. 20 . 3702 . 1 1 3 PRO CD C 5.982 -4.167 -2.139 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2ndm 1
. 20 . 3703 . 1 1 3 PRO CG C 4.732 -4.739 -2.747 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2ndm 1
. 20 . 3704 . 1 1 3 PRO HA H 3.914 -1.727 -1.791 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2ndm 1
. 20 . 3705 . 1 1 3 PRO HB2 H 2.733 -3.984 -2.731 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3706 . 1 1 3 PRO HB3 H 3.871 -3.025 -3.686 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3707 . 1 1 3 PRO HD2 H 6.483 -4.910 -1.537 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2ndm 1
. 20 . 3708 . 1 1 3 PRO HD3 H 6.641 -3.796 -2.910 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2ndm 1
. 20 . 3709 . 1 1 3 PRO HG2 H 4.349 -5.539 -2.134 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2ndm 1
. 20 . 3710 . 1 1 3 PRO HG3 H 4.930 -5.093 -3.748 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2ndm 1
. 20 . 3711 . 1 1 3 PRO N N 5.481 -3.063 -1.302 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2ndm 1
. 20 . 3712 . 1 1 3 PRO O O 3.493 -4.082 0.367 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2ndm 1
. 20 . 3713 . 1 1 4 CYS C C -0.263 -3.157 0.255 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_2ndm 1
. 20 . 3714 . 1 1 4 CYS CA C 1.099 -2.761 0.817 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_2ndm 1
. 20 . 3715 . 1 1 4 CYS CB C 0.951 -1.540 1.728 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_2ndm 1
. 20 . 3716 . 1 1 4 CYS H H 1.841 -1.763 -0.896 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_2ndm 1
. 20 . 3717 . 1 1 4 CYS HA H 1.489 -3.585 1.395 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_2ndm 1
. 20 . 3718 . 1 1 4 CYS HB2 H 0.097 -1.684 2.374 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3719 . 1 1 4 CYS HB3 H 1.841 -1.442 2.332 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3720 . 1 1 4 CYS N N 2.043 -2.479 -0.257 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_2ndm 1
. 20 . 3721 . 1 1 4 CYS O O -0.634 -2.752 -0.847 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_2ndm 1
. 20 . 3722 . 1 1 4 CYS SG S 0.711 0.029 0.834 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_2ndm 1
. 20 . 3723 . 1 1 5 TYR C C -3.407 -3.875 1.533 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2ndm 1
. 20 . 3724 . 1 1 5 TYR CA C -2.325 -4.404 0.597 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2ndm 1
. 20 . 3725 . 1 1 5 TYR CB C -2.373 -5.933 0.555 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2ndm 1
. 20 . 3726 . 1 1 5 TYR CD1 C -0.895 -6.288 -1.462 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2ndm 1
. 20 . 3727 . 1 1 5 TYR CD2 C -0.330 -7.417 0.561 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2ndm 1
. 20 . 3728 . 1 1 5 TYR CE1 C 0.196 -6.858 -2.090 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2ndm 1
. 20 . 3729 . 1 1 5 TYR CE2 C 0.764 -7.990 -0.059 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2ndm 1
. 20 . 3730 . 1 1 5 TYR CG C -1.178 -6.557 -0.129 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2ndm 1
. 20 . 3731 . 1 1 5 TYR CZ C 1.022 -7.707 -1.384 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2ndm 1
. 20 . 3732 . 1 1 5 TYR H H -0.656 -4.241 1.888 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2ndm 1
. 20 . 3733 . 1 1 5 TYR HA H -2.505 -4.021 -0.397 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2ndm 1
. 20 . 3734 . 1 1 5 TYR HB2 H -2.414 -6.313 1.564 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3735 . 1 1 5 TYR HB3 H -3.260 -6.242 0.022 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3736 . 1 1 5 TYR HD1 H -1.544 -5.622 -2.012 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2ndm 1
. 20 . 3737 . 1 1 5 TYR HD2 H -0.536 -7.636 1.598 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2ndm 1
. 20 . 3738 . 1 1 5 TYR HE1 H 0.399 -6.637 -3.127 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2ndm 1
. 20 . 3739 . 1 1 5 TYR HE2 H 1.411 -8.656 0.493 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2ndm 1
. 20 . 3740 . 1 1 5 TYR HH H 1.868 -9.140 -2.348 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2ndm 1
. 20 . 3741 . 1 1 5 TYR N N -1.004 -3.952 1.020 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2ndm 1
. 20 . 3742 . 1 1 5 TYR O O -3.510 -4.298 2.685 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2ndm 1
. 20 . 3743 . 1 1 5 TYR OH O 2.111 -8.276 -2.006 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2ndm 1
. 20 . 3744 . 1 1 6 THR C C -6.310 -1.663 0.924 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . rr_2ndm 1
. 20 . 3745 . 1 1 6 THR CA C -5.290 -2.360 1.817 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . rr_2ndm 1
. 20 . 3746 . 1 1 6 THR CB C -4.745 -1.346 2.841 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . rr_2ndm 1
. 20 . 3747 . 1 1 6 THR CG2 C -4.465 -2.022 4.175 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . rr_2ndm 1
. 20 . 3748 . 1 1 6 THR H H -4.082 -2.651 0.104 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . rr_2ndm 1
. 20 . 3749 . 1 1 6 THR HA H -5.782 -3.156 2.357 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . rr_2ndm 1
. 20 . 3750 . 1 1 6 THR HB H -5.489 -0.576 2.994 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . rr_2ndm 1
. 20 . 3751 . 1 1 6 THR HG1 H -3.628 -0.599 1.399 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . rr_2ndm 1
. 20 . 3752 . 1 1 6 THR HG21 H -3.401 -2.019 4.364 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . rr_2ndm 1
. 20 . 3753 . 1 1 6 THR HG22 H -4.822 -3.040 4.144 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . rr_2ndm 1
. 20 . 3754 . 1 1 6 THR HG23 H -4.971 -1.486 4.964 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . rr_2ndm 1
. 20 . 3755 . 1 1 6 THR N N -4.214 -2.947 1.028 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . rr_2ndm 1
. 20 . 3756 . 1 1 6 THR O O -5.960 -1.099 -0.113 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . rr_2ndm 1
. 20 . 3757 . 1 1 6 THR OG1 O -3.545 -0.744 2.344 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . rr_2ndm 1
. 20 . 3758 . 1 1 7 LEU C C -8.770 0.402 0.919 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2ndm 1
. 20 . 3759 . 1 1 7 LEU CA C -8.646 -1.078 0.568 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2ndm 1
. 20 . 3760 . 1 1 7 LEU CB C -9.973 -1.791 0.835 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2ndm 1
. 20 . 3761 . 1 1 7 LEU CD1 C -11.396 -3.845 0.652 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2ndm 1
. 20 . 3762 . 1 1 7 LEU CD2 C -10.341 -2.873 -1.397 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2ndm 1
. 20 . 3763 . 1 1 7 LEU CG C -10.185 -3.114 0.098 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2ndm 1
. 20 . 3764 . 1 1 7 LEU H H -7.791 -2.171 2.167 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2ndm 1
. 20 . 3765 . 1 1 7 LEU HA H -8.402 -1.167 -0.480 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2ndm 1
. 20 . 3766 . 1 1 7 LEU HB2 H -10.036 -1.988 1.894 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3767 . 1 1 7 LEU HB3 H -10.771 -1.120 0.547 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3768 . 1 1 7 LEU HD11 H -11.255 -4.029 1.706 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2ndm 1
. 20 . 3769 . 1 1 7 LEU HD12 H -11.516 -4.786 0.135 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2ndm 1
. 20 . 3770 . 1 1 7 LEU HD13 H -12.280 -3.240 0.506 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2ndm 1
. 20 . 3771 . 1 1 7 LEU HD21 H -10.492 -1.819 -1.577 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2ndm 1
. 20 . 3772 . 1 1 7 LEU HD22 H -11.193 -3.427 -1.763 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2ndm 1
. 20 . 3773 . 1 1 7 LEU HD23 H -9.450 -3.201 -1.910 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2ndm 1
. 20 . 3774 . 1 1 7 LEU HG H -9.318 -3.743 0.247 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2ndm 1
. 20 . 3775 . 1 1 7 LEU N N -7.573 -1.705 1.332 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2ndm 1
. 20 . 3776 . 1 1 7 LEU O O -9.595 1.116 0.350 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2ndm 1
. 20 . 3777 . 1 1 8 GLN C C -6.949 3.071 1.492 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_2ndm 1
. 20 . 3778 . 1 1 8 GLN CA C -7.962 2.248 2.283 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_2ndm 1
. 20 . 3779 . 1 1 8 GLN CB C -7.663 2.351 3.779 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_2ndm 1
. 20 . 3780 . 1 1 8 GLN CD C -8.622 2.625 6.100 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_2ndm 1
. 20 . 3781 . 1 1 8 GLN CG C -8.902 2.267 4.655 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_2ndm 1
. 20 . 3782 . 1 1 8 GLN H H -7.309 0.234 2.274 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_2ndm 1
. 20 . 3783 . 1 1 8 GLN HA H -8.950 2.640 2.094 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_2ndm 1
. 20 . 3784 . 1 1 8 GLN HB2 H -6.997 1.548 4.057 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3785 . 1 1 8 GLN HB3 H -7.176 3.296 3.972 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3786 . 1 1 8 GLN HE21 H -7.100 1.347 6.147 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_2ndm 1
. 20 . 3787 . 1 1 8 GLN HE22 H -7.401 2.209 7.613 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_2ndm 1
. 20 . 3788 . 1 1 8 GLN HG2 H -9.647 2.948 4.269 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_2ndm 1
. 20 . 3789 . 1 1 8 GLN HG3 H -9.287 1.258 4.616 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_2ndm 1
. 20 . 3790 . 1 1 8 GLN N N -7.944 0.853 1.857 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_2ndm 1
. 20 . 3791 . 1 1 8 GLN NE2 N -7.605 1.997 6.679 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_2ndm 1
. 20 . 3792 . 1 1 8 GLN O O -6.572 4.168 1.901 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_2ndm 1
. 20 . 3793 . 1 1 8 GLN OE1 O -9.310 3.457 6.691 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_2ndm 1
. 20 . 3794 . 1 1 9 SER C C -4.255 3.495 0.280 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . rr_2ndm 1
. 20 . 3795 . 1 1 9 SER CA C -5.542 3.215 -0.489 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . rr_2ndm 1
. 20 . 3796 . 1 1 9 SER CB C -6.127 4.523 -1.021 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . rr_2ndm 1
. 20 . 3797 . 1 1 9 SER H H -6.852 1.653 0.084 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . rr_2ndm 1
. 20 . 3798 . 1 1 9 SER HA H -5.315 2.566 -1.322 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . rr_2ndm 1
. 20 . 3799 . 1 1 9 SER HB2 H -7.134 4.350 -1.369 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3800 . 1 1 9 SER HB3 H -6.141 5.257 -0.227 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3801 . 1 1 9 SER HG H -5.672 4.657 -2.921 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . rr_2ndm 1
. 20 . 3802 . 1 1 9 SER N N -6.514 2.532 0.357 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . rr_2ndm 1
. 20 . 3803 . 1 1 9 SER O O -4.111 4.543 0.911 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . rr_2ndm 1
. 20 . 3804 . 1 1 9 SER OG O -5.354 5.029 -2.096 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . rr_2ndm 1
. 20 . 3805 . 1 1 10 CYS C C -0.903 2.870 -0.084 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . rr_2ndm 1
. 20 . 3806 . 1 1 10 CYS CA C -2.045 2.695 0.913 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . rr_2ndm 1
. 20 . 3807 . 1 1 10 CYS CB C -1.781 1.475 1.799 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . rr_2ndm 1
. 20 . 3808 . 1 1 10 CYS H H -3.494 1.738 -0.297 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . rr_2ndm 1
. 20 . 3809 . 1 1 10 CYS HA H -2.101 3.574 1.536 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . rr_2ndm 1
. 20 . 3810 . 1 1 10 CYS HB2 H -2.411 1.532 2.674 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3811 . 1 1 10 CYS HB3 H -2.021 0.579 1.245 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3812 . 1 1 10 CYS N N -3.321 2.551 0.223 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . rr_2ndm 1
. 20 . 3813 . 1 1 10 CYS O O -0.887 2.240 -1.142 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . rr_2ndm 1
. 20 . 3814 . 1 1 10 CYS SG S -0.056 1.329 2.367 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . rr_2ndm 1
. 20 . 3815 . 1 1 11 PHE C C 2.360 3.067 -0.254 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . rr_2ndm 1
. 20 . 3816 . 1 1 11 PHE CA C 1.195 3.988 -0.604 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . rr_2ndm 1
. 20 . 3817 . 1 1 11 PHE CB C 1.632 5.450 -0.483 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . rr_2ndm 1
. 20 . 3818 . 1 1 11 PHE CD1 C 0.515 6.349 -2.543 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . rr_2ndm 1
. 20 . 3819 . 1 1 11 PHE CD2 C 0.025 7.376 -0.448 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . rr_2ndm 1
. 20 . 3820 . 1 1 11 PHE CE1 C -0.337 7.232 -3.179 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . rr_2ndm 1
. 20 . 3821 . 1 1 11 PHE CE2 C -0.829 8.261 -1.079 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . rr_2ndm 1
. 20 . 3822 . 1 1 11 PHE CG C 0.705 6.411 -1.172 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . rr_2ndm 1
. 20 . 3823 . 1 1 11 PHE CZ C -1.009 8.190 -2.446 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . rr_2ndm 1
. 20 . 3824 . 1 1 11 PHE H H -0.019 4.202 1.117 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . rr_2ndm 1
. 20 . 3825 . 1 1 11 PHE HA H 0.892 3.795 -1.621 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . rr_2ndm 1
. 20 . 3826 . 1 1 11 PHE HB2 H 1.673 5.721 0.560 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3827 . 1 1 11 PHE HB3 H 2.613 5.562 -0.920 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3828 . 1 1 11 PHE HD1 H 1.041 5.600 -3.118 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . rr_2ndm 1
. 20 . 3829 . 1 1 11 PHE HD2 H 0.165 7.435 0.621 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . rr_2ndm 1
. 20 . 3830 . 1 1 11 PHE HE1 H -0.475 7.173 -4.249 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . rr_2ndm 1
. 20 . 3831 . 1 1 11 PHE HE2 H -1.353 9.010 -0.503 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . rr_2ndm 1
. 20 . 3832 . 1 1 11 PHE HZ H -1.676 8.879 -2.942 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . rr_2ndm 1
. 20 . 3833 . 1 1 11 PHE N N 0.050 3.729 0.261 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . rr_2ndm 1
. 20 . 3834 . 1 1 11 PHE O O 2.473 2.564 0.864 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . rr_2ndm 1
. 20 . 3835 . 1 1 12 PRO C C 5.458 2.599 -0.121 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . rr_2ndm 1
. 20 . 3836 . 1 1 12 PRO CA C 4.422 1.980 -1.053 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . rr_2ndm 1
. 20 . 3837 . 1 1 12 PRO CB C 4.987 1.850 -2.469 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . rr_2ndm 1
. 20 . 3838 . 1 1 12 PRO CD C 3.179 3.409 -2.589 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . rr_2ndm 1
. 20 . 3839 . 1 1 12 PRO CG C 4.523 3.076 -3.176 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . rr_2ndm 1
. 20 . 3840 . 1 1 12 PRO HA H 4.145 1.003 -0.683 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . rr_2ndm 1
. 20 . 3841 . 1 1 12 PRO HB2 H 6.067 1.803 -2.426 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3842 . 1 1 12 PRO HB3 H 4.601 0.956 -2.934 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3843 . 1 1 12 PRO HD2 H 3.037 4.479 -2.553 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . rr_2ndm 1
. 20 . 3844 . 1 1 12 PRO HD3 H 2.392 2.941 -3.161 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . rr_2ndm 1
. 20 . 3845 . 1 1 12 PRO HG2 H 5.217 3.885 -3.004 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . rr_2ndm 1
. 20 . 3846 . 1 1 12 PRO HG3 H 4.430 2.878 -4.234 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . rr_2ndm 1
. 20 . 3847 . 1 1 12 PRO N N 3.250 2.841 -1.233 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . rr_2ndm 1
. 20 . 3848 . 1 1 12 PRO O O 5.675 3.810 -0.135 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . rr_2ndm 1
. 20 . 3849 . 1 1 13 ASP C C 8.305 1.276 1.649 . . . 1.0 . . . . . . . . . . . . A . 13 ASP C . . . . . . . . . rr_2ndm 1
. 20 . 3850 . 1 1 13 ASP CA C 7.110 2.224 1.628 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CA . . . . . . . . . rr_2ndm 1
. 20 . 3851 . 1 1 13 ASP CB C 6.518 2.351 3.032 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CB . . . . . . . . . rr_2ndm 1
. 20 . 3852 . 1 1 13 ASP CG C 7.450 3.062 3.992 . . . 1.0 . . . . . . . . . . . . A . 13 ASP CG . . . . . . . . . rr_2ndm 1
. 20 . 3853 . 1 1 13 ASP H H 5.878 0.804 0.653 . . . 1.0 . . . . . . . . . . . . A . 13 ASP H . . . . . . . . . rr_2ndm 1
. 20 . 3854 . 1 1 13 ASP HA H 7.445 3.197 1.299 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HA . . . . . . . . . rr_2ndm 1
. 20 . 3855 . 1 1 13 ASP HB2 H 5.594 2.908 2.977 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB2 . . . . . . . . . rr_2ndm 1
. 20 . 3856 . 1 1 13 ASP HB3 H 6.315 1.363 3.420 . . . 1.0 . . . . . . . . . . . . A . 13 ASP HB3 . . . . . . . . . rr_2ndm 1
. 20 . 3857 . 1 1 13 ASP N N 6.095 1.760 0.688 . . . 1.0 . . . . . . . . . . . . A . 13 ASP N . . . . . . . . . rr_2ndm 1
. 20 . 3858 . 1 1 13 ASP O O 8.354 0.343 2.452 . . . 1.0 . . . . . . . . . . . . A . 13 ASP O . . . . . . . . . rr_2ndm 1
. 20 . 3859 . 1 1 13 ASP OD1 O 8.348 3.789 3.518 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD1 . . . . . . . . . rr_2ndm 1
. 20 . 3860 . 1 1 13 ASP OD2 O 7.281 2.893 5.218 . . . 1.0 . . . . . . . . . . . . A . 13 ASP OD2 . . . . . . . . . rr_2ndm 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_2ndm
_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 2ndm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2ndm 1
1 2ndm.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 23 rr_2ndm 1
1 2ndm.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 2 rr_2ndm 1
1 2ndm.mr . . DYANA/DIANA 4 distance NOE simple 91 rr_2ndm 1
1 2ndm.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2ndm 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_2ndm
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '2ndm'" . . . . distance "general distance" . 91 rr_2ndm 1
2 "From CCPN project: '2ndm'" . . . . distance "hydrogen bond" . 1 rr_2ndm 1
3 "From CCPN project: '2ndm'" . . . . "dihedral angle" "Not applicable" . 23 rr_2ndm 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2ndm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2ndm 1
1 2ndm.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 23 rr_2ndm 1
1 2ndm.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 2 rr_2ndm 1
1 2ndm.mr . . DYANA/DIANA 4 distance NOE simple 91 rr_2ndm 1
1 2ndm.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2ndm 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_2ndm
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2ndm 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HG3 H . . . . . . . 3.88 . . . . . A . 2 ARG H . . A . 2 ARG HG3 . . . 2 ARG H . . . . . 2 ARG HG3 . . rr_2ndm 1
2 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HG2 H . . . . . . . 3.88 . . . . . A . 2 ARG H . . A . 2 ARG HG2 . . . 2 ARG H . . . . . 2 ARG HG2 . . rr_2ndm 1
3 1 . . 1 1 3 3 PRO HA H . . . 1 1 4 4 CYS H H . . . . . . . 3.16 . . . . . A . 3 PRO HA . . A . 4 CYS H . . . 3 PRO HA . . . . . 4 CYSS H . . rr_2ndm 1
4 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . . . 4.05 . . . . . A . 4 CYS H . . A . 4 CYS HB3 . . . 4 CYSS H . . . . . 4 CYSS HB3 . . rr_2ndm 1
5 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . . . 4.05 . . . . . A . 4 CYS H . . A . 4 CYS HB2 . . . 4 CYSS H . . . . . 4 CYSS HB2 . . rr_2ndm 1
6 1 . . 1 1 4 4 CYS HA H . . . 1 1 5 5 TYR H H . . . . . . . 3.15 . . . . . A . 4 CYS HA . . A . 5 TYR H . . . 4 CYSS HA . . . . . 5 TYR H . . rr_2ndm 1
7 1 . . 1 1 5 5 TYR H H . . . 1 1 4 4 CYS HB2 H . . . . . . . 4.84 . . . . . A . 5 TYR H . . A . 4 CYS HB2 . . . 5 TYR H . . . . . 4 CYSS HB2 . . rr_2ndm 1
8 1 . . 1 1 5 5 TYR H H . . . 1 1 4 4 CYS HB3 H . . . . . . . 4.84 . . . . . A . 5 TYR H . . A . 4 CYS HB3 . . . 5 TYR H . . . . . 4 CYSS HB3 . . rr_2ndm 1
9 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR QD H . . . . . . . 3.63 . . . . . A . 5 TYR HA . . A . 5 TYR QD . . . 5 TYR HA . . . . . 5 TYR QD . . rr_2ndm 1
10 1 . . 1 1 6 6 THR H H . . . 1 1 6 6 THR MG H . . . . . . . 4.16 . . . . . A . 6 THR H . . A . 6 THR MG . . . 6 THR H . . . . . 6 THR QG2 . . rr_2ndm 1
11 1 . . 1 1 6 6 THR HA H . . . 1 1 7 7 LEU H H . . . . . . . 3.32 . . . . . A . 6 THR HA . . A . 7 LEU H . . . 6 THR HA . . . . . 7 LEU H . . rr_2ndm 1
12 1 . . 1 1 7 7 LEU H H . . . 1 1 6 6 THR HB H . . . . . . . 3.82 . . . . . A . 7 LEU H . . A . 6 THR HB . . . 7 LEU H . . . . . 6 THR HB . . rr_2ndm 1
13 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB3 H . . . . . . . 3.80 . . . . . A . 7 LEU H . . A . 7 LEU HB3 . . . 7 LEU H . . . . . 7 LEU HB3 . . rr_2ndm 1
14 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB2 H . . . . . . . 3.80 . . . . . A . 7 LEU H . . A . 7 LEU HB2 . . . 7 LEU H . . . . . 7 LEU HB2 . . rr_2ndm 1
15 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD2 H . . . . . . . 5.38 . . . . . A . 7 LEU H . . A . 7 LEU MD2 . . . 7 LEU H . . . . . 7 LEU QD2 . . rr_2ndm 1
16 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD1 H . . . . . . . 5.38 . . . . . A . 7 LEU H . . A . 7 LEU MD1 . . . 7 LEU H . . . . . 7 LEU QD1 . . rr_2ndm 1
17 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 4.28 . . . . . A . 8 GLN H . . A . 8 GLN HG2 . . . 8 GLN H . . . . . 8 GLN QG . . rr_2ndm 1
17 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 4.28 . . . . . A . 8 GLN H . . A . 8 GLN HG3 . . . 8 GLN H . . . . . 8 GLN QG . . rr_2ndm 1
18 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 LEU HB3 H . . . . . . . 4.70 . . . . . A . 8 GLN H . . A . 7 LEU HB3 . . . 8 GLN H . . . . . 7 LEU HB3 . . rr_2ndm 1
19 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 LEU HB2 H . . . . . . . 4.70 . . . . . A . 8 GLN H . . A . 7 LEU HB2 . . . 8 GLN H . . . . . 7 LEU HB2 . . rr_2ndm 1
20 1 . . 1 1 6 6 THR MG H . . . 1 1 7 7 LEU H H . . . . . . . 4.80 . . . . . A . 6 THR MG . . A . 7 LEU H . . . 6 THR QG2 . . . . . 7 LEU H . . rr_2ndm 1
21 1 . . 1 1 6 6 THR MG H . . . 1 1 8 8 GLN H H . . . . . . . 5.29 . . . . . A . 6 THR MG . . A . 8 GLN H . . . 6 THR QG2 . . . . . 8 GLN H . . rr_2ndm 1
22 1 OR . 1 1 9 9 SER H H . . . 1 1 9 9 SER HB2 H . . . . . . . 3.77 . . . . . A . 9 SER H . . A . 9 SER HB2 . . . 9 SER H . . . . . 9 SER QB . . rr_2ndm 1
22 2 OR . 1 1 9 9 SER H H . . . 1 1 9 9 SER HB3 H . . . . . . . 3.77 . . . . . A . 9 SER H . . A . 9 SER HB3 . . . 9 SER H . . . . . 9 SER QB . . rr_2ndm 1
23 1 OR . 1 1 9 9 SER H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 5.03 . . . . . A . 9 SER H . . A . 8 GLN HG2 . . . 9 SER H . . . . . 8 GLN QG . . rr_2ndm 1
23 2 OR . 1 1 8 8 GLN HG3 H . . . 1 1 9 9 SER H H . . . . . . . 5.03 . . . . . A . 8 GLN HG3 . . A . 9 SER H . . . 8 GLN QG . . . . . 9 SER H . . rr_2ndm 1
24 1 . . 1 1 9 9 SER H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 4.44 . . . . . A . 9 SER H . . A . 8 GLN HB3 . . . 9 SER H . . . . . 8 GLN HB3 . . rr_2ndm 1
25 1 . . 1 1 9 9 SER H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 4.44 . . . . . A . 9 SER H . . A . 8 GLN HB2 . . . 9 SER H . . . . . 8 GLN HB2 . . rr_2ndm 1
26 1 . . 1 1 6 6 THR MG H . . . 1 1 9 9 SER H H . . . . . . . 5.50 . . . . . A . 6 THR MG . . A . 9 SER H . . . 6 THR QG2 . . . . . 9 SER H . . rr_2ndm 1
27 1 OR . 1 1 7 7 LEU H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 5.50 . . . . . A . 7 LEU H . . A . 8 GLN HG2 . . . 7 LEU H . . . . . 8 GLN QG . . rr_2ndm 1
27 2 OR . 1 1 7 7 LEU H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 5.50 . . . . . A . 7 LEU H . . A . 8 GLN HG3 . . . 7 LEU H . . . . . 8 GLN QG . . rr_2ndm 1
28 1 . . 1 1 9 9 SER HA H . . . 1 1 10 10 CYS H H . . . . . . . 3.46 . . . . . A . 9 SER HA . . A . 10 CYS H . . . 9 SER HA . . . . . 10 CYSS H . . rr_2ndm 1
29 1 . . 1 1 10 10 CYS H H . . . 1 1 10 10 CYS HB2 H . . . . . . . 4.20 . . . . . A . 10 CYS H . . A . 10 CYS HB2 . . . 10 CYSS H . . . . . 10 CYSS HB2 . . rr_2ndm 1
30 1 . . 1 1 10 10 CYS H H . . . 1 1 10 10 CYS HB3 H . . . . . . . 4.20 . . . . . A . 10 CYS H . . A . 10 CYS HB3 . . . 10 CYSS H . . . . . 10 CYSS HB3 . . rr_2ndm 1
31 1 OR . 1 1 10 10 CYS H H . . . 1 1 9 9 SER HB2 H . . . . . . . 4.63 . . . . . A . 10 CYS H . . A . 9 SER HB2 . . . 10 CYSS H . . . . . 9 SER QB . . rr_2ndm 1
31 2 OR . 1 1 9 9 SER HB3 H . . . 1 1 10 10 CYS H H . . . . . . . 4.63 . . . . . A . 9 SER HB3 . . A . 10 CYS H . . . 9 SER QB . . . . . 10 CYSS H . . rr_2ndm 1
32 1 . . 1 1 10 10 CYS HA H . . . 1 1 11 11 PHE H H . . . . . . . 3.03 . . . . . A . 10 CYS HA . . A . 11 PHE H . . . 10 CYSS HA . . . . . 11 PHE H . . rr_2ndm 1
33 1 . . 1 1 11 11 PHE H H . . . 1 1 11 11 PHE HB2 H . . . . . . . 3.77 . . . . . A . 11 PHE H . . A . 11 PHE HB2 . . . 11 PHE H . . . . . 11 PHE HB2 . . rr_2ndm 1
34 1 . . 1 1 11 11 PHE H H . . . 1 1 11 11 PHE HB3 H . . . . . . . 3.77 . . . . . A . 11 PHE H . . A . 11 PHE HB3 . . . 11 PHE H . . . . . 11 PHE HB3 . . rr_2ndm 1
35 1 . . 1 1 2 2 ARG HA H . . . 1 1 3 3 PRO HD2 H . . . . . . . 3.75 . . . . . A . 2 ARG HA . . A . 3 PRO HD2 . . . 2 ARG HA . . . . . 3 PRO HD2 . . rr_2ndm 1
36 1 . . 1 1 2 2 ARG HA H . . . 1 1 3 3 PRO HD3 H . . . . . . . 3.75 . . . . . A . 2 ARG HA . . A . 3 PRO HD3 . . . 2 ARG HA . . . . . 3 PRO HD3 . . rr_2ndm 1
37 1 OR . 1 1 3 3 PRO HA H . . . 1 1 2 2 ARG HB2 H . . . . . . . 4.98 . . . . . A . 3 PRO HA . . A . 2 ARG HB2 . . . 3 PRO HA . . . . . 2 ARG QB . . rr_2ndm 1
37 2 OR . 1 1 3 3 PRO HA H . . . 1 1 2 2 ARG HB3 H . . . . . . . 4.98 . . . . . A . 3 PRO HA . . A . 2 ARG HB3 . . . 3 PRO HA . . . . . 2 ARG QB . . rr_2ndm 1
38 1 . . 1 1 11 11 PHE HA H . . . 1 1 12 12 PRO HD2 H . . . . . . . 3.50 . . . . . A . 11 PHE HA . . A . 12 PRO HD2 . . . 11 PHE HA . . . . . 12 PRO HD2 . . rr_2ndm 1
39 1 . . 1 1 11 11 PHE HA H . . . 1 1 12 12 PRO HD3 H . . . . . . . 3.50 . . . . . A . 11 PHE HA . . A . 12 PRO HD3 . . . 11 PHE HA . . . . . 12 PRO HD3 . . rr_2ndm 1
40 1 . . 1 1 11 11 PHE HA H . . . 1 1 12 12 PRO HG3 H . . . . . . . 5.20 . . . . . A . 11 PHE HA . . A . 12 PRO HG3 . . . 11 PHE HA . . . . . 12 PRO HG3 . . rr_2ndm 1
41 1 . . 1 1 11 11 PHE HA H . . . 1 1 12 12 PRO HG2 H . . . . . . . 5.20 . . . . . A . 11 PHE HA . . A . 12 PRO HG2 . . . 11 PHE HA . . . . . 12 PRO HG2 . . rr_2ndm 1
42 1 . . 1 1 12 12 PRO HA H . . . 1 1 13 13 ASP H H . . . . . . . 3.46 . . . . . A . 12 PRO HA . . A . 13 ASP H . . . 12 PRO HA . . . . . 13 ASP H . . rr_2ndm 1
43 1 . . 1 1 13 13 ASP H H . . . 1 1 13 13 ASP HB2 H . . . . . . . 4.12 . . . . . A . 13 ASP H . . A . 13 ASP HB2 . . . 13 ASP H . . . . . 13 ASP HB2 . . rr_2ndm 1
44 1 . . 1 1 13 13 ASP H H . . . 1 1 13 13 ASP HB3 H . . . . . . . 4.12 . . . . . A . 13 ASP H . . A . 13 ASP HB3 . . . 13 ASP H . . . . . 13 ASP HB3 . . rr_2ndm 1
45 1 . . 1 1 13 13 ASP H H . . . 1 1 12 12 PRO HG2 H . . . . . . . 5.50 . . . . . A . 13 ASP H . . A . 12 PRO HG2 . . . 13 ASP H . . . . . 12 PRO HG2 . . rr_2ndm 1
46 1 . . 1 1 13 13 ASP H H . . . 1 1 12 12 PRO HG3 H . . . . . . . 5.50 . . . . . A . 13 ASP H . . A . 12 PRO HG3 . . . 13 ASP H . . . . . 12 PRO HG3 . . rr_2ndm 1
47 1 . . 1 1 2 2 ARG H H . . . 1 1 13 13 ASP H H . . . . . . . 3.62 . . . . . A . 2 ARG H . . A . 13 ASP H . . . 2 ARG H . . . . . 13 ASP H . . rr_2ndm 1
48 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR QD H . . . . . . . 4.41 . . . . . A . 5 TYR H . . A . 5 TYR QD . . . 5 TYR H . . . . . 5 TYR QD . . rr_2ndm 1
49 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR QE H . . . . . . . 4.94 . . . . . A . 5 TYR H . . A . 5 TYR QE . . . 5 TYR H . . . . . 5 TYR QE . . rr_2ndm 1
50 1 . . 1 1 5 5 TYR H H . . . 1 1 6 6 THR H H . . . . . . . 5.23 . . . . . A . 5 TYR H . . A . 6 THR H . . . 5 TYR H . . . . . 6 THR H . . rr_2ndm 1
51 1 . . 1 1 11 11 PHE H H . . . 1 1 11 11 PHE QD H . . . . . . . 4.84 . . . . . A . 11 PHE H . . A . 11 PHE QD . . . 11 PHE H . . . . . 11 PHE QD . . rr_2ndm 1
52 1 . . 1 1 10 10 CYS H H . . . 1 1 11 11 PHE H H . . . . . . . 5.39 . . . . . A . 10 CYS H . . A . 11 PHE H . . . 10 CYSS H . . . . . 11 PHE H . . rr_2ndm 1
53 1 . . 1 1 7 7 LEU H H . . . 1 1 8 8 GLN H H . . . . . . . 4.00 . . . . . A . 7 LEU H . . A . 8 GLN H . . . 7 LEU H . . . . . 8 GLN H . . rr_2ndm 1
54 1 . . 1 1 4 4 CYS H H . . . 1 1 5 5 TYR H H . . . . . . . 4.95 . . . . . A . 4 CYS H . . A . 5 TYR H . . . 4 CYSS H . . . . . 5 TYR H . . rr_2ndm 1
55 1 . . 1 1 9 9 SER H H . . . 1 1 10 10 CYS H H . . . . . . . 4.73 . . . . . A . 9 SER H . . A . 10 CYS H . . . 9 SER H . . . . . 10 CYSS H . . rr_2ndm 1
56 1 . . 1 1 6 6 THR H H . . . 1 1 7 7 LEU H H . . . . . . . 4.75 . . . . . A . 6 THR H . . A . 7 LEU H . . . 6 THR H . . . . . 7 LEU H . . rr_2ndm 1
57 1 . . 1 1 5 5 TYR H H . . . 1 1 6 6 THR MG H . . . . . . . 5.50 . . . . . A . 5 TYR H . . A . 6 THR MG . . . 5 TYR H . . . . . 6 THR QG2 . . rr_2ndm 1
58 1 . . 1 1 6 6 THR HA H . . . 1 1 6 6 THR HB H . . . . . . . 2.82 . . . . . A . 6 THR HA . . A . 6 THR HB . . . 6 THR HA . . . . . 6 THR HB . . rr_2ndm 1
59 1 . . 1 1 5 5 TYR QD H . . . 1 1 6 6 THR MG H . . . . . . . 5.50 . . . . . A . 5 TYR QD . . A . 6 THR MG . . . 5 TYR QD . . . . . 6 THR QG2 . . rr_2ndm 1
60 1 . . 1 1 6 6 THR MG H . . . 1 1 6 6 THR HA H . . . . . . . 3.64 . . . . . A . 6 THR MG . . A . 6 THR HA . . . 6 THR QG2 . . . . . 6 THR HA . . rr_2ndm 1
61 1 OR . 1 1 8 8 GLN HA H . . . 1 1 8 8 GLN HG2 H . . . . . . . 4.17 . . . . . A . 8 GLN HA . . A . 8 GLN HG2 . . . 8 GLN HA . . . . . 8 GLN QG . . rr_2ndm 1
61 2 OR . 1 1 8 8 GLN HG3 H . . . 1 1 8 8 GLN HA H . . . . . . . 4.17 . . . . . A . 8 GLN HG3 . . A . 8 GLN HA . . . 8 GLN QG . . . . . 8 GLN HA . . rr_2ndm 1
62 1 . . 1 1 11 11 PHE HA H . . . 1 1 11 11 PHE QD H . . . . . . . 3.92 . . . . . A . 11 PHE HA . . A . 11 PHE QD . . . 11 PHE HA . . . . . 11 PHE QD . . rr_2ndm 1
63 1 . . 1 1 11 11 PHE HA H . . . 1 1 11 11 PHE QE H . . . . . . . 4.82 . . . . . A . 11 PHE HA . . A . 11 PHE QE . . . 11 PHE HA . . . . . 11 PHE QE . . rr_2ndm 1
64 1 OR . 1 1 13 13 ASP H H . . . 1 1 1 1 GLY HA2 H . . . . . . . 4.66 . . . . . A . 13 ASP H . . A . 1 GLY HA2 . . . 13 ASP H . . . . . 1 GLY QA . . rr_2ndm 1
64 2 OR . 1 1 13 13 ASP H H . . . 1 1 1 1 GLY HA3 H . . . . . . . 4.66 . . . . . A . 13 ASP H . . A . 1 GLY HA3 . . . 13 ASP H . . . . . 1 GLY QA . . rr_2ndm 1
65 1 OR . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HG3 H . . . . . . . 3.32 . . . . . A . 2 ARG H . . A . 2 ARG HG3 . . . 2 ARG H . . . . . 2 ARG QG . . rr_2ndm 1
65 2 OR . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HG2 H . . . . . . . 3.32 . . . . . A . 2 ARG H . . A . 2 ARG HG2 . . . 2 ARG H . . . . . 2 ARG QG . . rr_2ndm 1
66 1 OR . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HD2 H . . . . . . . 4.91 . . . . . A . 2 ARG H . . A . 2 ARG HD2 . . . 2 ARG H . . . . . 2 ARG QD . . rr_2ndm 1
66 2 OR . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HD3 H . . . . . . . 4.91 . . . . . A . 2 ARG H . . A . 2 ARG HD3 . . . 2 ARG H . . . . . 2 ARG QD . . rr_2ndm 1
67 1 OR . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HD2 H . . . . . . . 5.34 . . . . . A . 2 ARG HA . . A . 2 ARG HD2 . . . 2 ARG HA . . . . . 2 ARG QD . . rr_2ndm 1
67 2 OR . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HD3 H . . . . . . . 5.34 . . . . . A . 2 ARG HA . . A . 2 ARG HD3 . . . 2 ARG HA . . . . . 2 ARG QD . . rr_2ndm 1
68 1 OR . 1 1 2 2 ARG HA H . . . 1 1 3 3 PRO HD2 H . . . . . . . 3.10 . . . . . A . 2 ARG HA . . A . 3 PRO HD2 . . . 2 ARG HA . . . . . 3 PRO QD . . rr_2ndm 1
68 2 OR . 1 1 2 2 ARG HA H . . . 1 1 3 3 PRO HD3 H . . . . . . . 3.10 . . . . . A . 2 ARG HA . . A . 3 PRO HD3 . . . 2 ARG HA . . . . . 3 PRO QD . . rr_2ndm 1
69 1 OR . 1 1 2 2 ARG HB2 H . . . 1 1 2 2 ARG HD2 H . . . . . . . 3.63 . . . . . A . 2 ARG HB2 . . A . 2 ARG HD2 . . . 2 ARG QB . . . . . 2 ARG QD . . rr_2ndm 1
69 2 OR . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HD2 H . . . . . . . 3.63 . . . . . A . 2 ARG HB3 . . A . 2 ARG HD2 . . . 2 ARG QB . . . . . 2 ARG QD . . rr_2ndm 1
69 3 OR . 1 1 2 2 ARG HD3 H . . . 1 1 2 2 ARG HB2 H . . . . . . . 3.63 . . . . . A . 2 ARG HD3 . . A . 2 ARG HB2 . . . 2 ARG QD . . . . . 2 ARG QB . . rr_2ndm 1
69 4 OR . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HD3 H . . . . . . . 3.63 . . . . . A . 2 ARG HB3 . . A . 2 ARG HD3 . . . 2 ARG QB . . . . . 2 ARG QD . . rr_2ndm 1
70 1 OR . 1 1 2 2 ARG HB2 H . . . 1 1 3 3 PRO HD2 H . . . . . . . 3.93 . . . . . A . 2 ARG HB2 . . A . 3 PRO HD2 . . . 2 ARG QB . . . . . 3 PRO QD . . rr_2ndm 1
70 2 OR . 1 1 2 2 ARG HB3 H . . . 1 1 3 3 PRO HD2 H . . . . . . . 3.93 . . . . . A . 2 ARG HB3 . . A . 3 PRO HD2 . . . 2 ARG QB . . . . . 3 PRO QD . . rr_2ndm 1
70 3 OR . 1 1 3 3 PRO HD3 H . . . 1 1 2 2 ARG HB2 H . . . . . . . 3.93 . . . . . A . 3 PRO HD3 . . A . 2 ARG HB2 . . . 3 PRO QD . . . . . 2 ARG QB . . rr_2ndm 1
70 4 OR . 1 1 2 2 ARG HB3 H . . . 1 1 3 3 PRO HD3 H . . . . . . . 3.93 . . . . . A . 2 ARG HB3 . . A . 3 PRO HD3 . . . 2 ARG QB . . . . . 3 PRO QD . . rr_2ndm 1
71 1 OR . 1 1 5 5 TYR QD H . . . 1 1 3 3 PRO HB2 H . . . . . . . 5.34 . . . . . A . 5 TYR QD . . A . 3 PRO HB2 . . . 5 TYR QD . . . . . 3 PRO QB . . rr_2ndm 1
71 2 OR . 1 1 5 5 TYR QD H . . . 1 1 3 3 PRO HB3 H . . . . . . . 5.34 . . . . . A . 5 TYR QD . . A . 3 PRO HB3 . . . 5 TYR QD . . . . . 3 PRO QB . . rr_2ndm 1
72 1 OR . 1 1 4 4 CYS H H . . . 1 1 3 3 PRO HG2 H . . . . . . . 4.70 . . . . . A . 4 CYS H . . A . 3 PRO HG2 . . . 4 CYSS H . . . . . 3 PRO QG . . rr_2ndm 1
72 2 OR . 1 1 4 4 CYS H H . . . 1 1 3 3 PRO HG3 H . . . . . . . 4.70 . . . . . A . 4 CYS H . . A . 3 PRO HG3 . . . 4 CYSS H . . . . . 3 PRO QG . . rr_2ndm 1
73 1 OR . 1 1 5 5 TYR QD H . . . 1 1 3 3 PRO HG2 H . . . . . . . 5.35 . . . . . A . 5 TYR QD . . A . 3 PRO HG2 . . . 5 TYR QD . . . . . 3 PRO QG . . rr_2ndm 1
73 2 OR . 1 1 5 5 TYR QD H . . . 1 1 3 3 PRO HG3 H . . . . . . . 5.35 . . . . . A . 5 TYR QD . . A . 3 PRO HG3 . . . 5 TYR QD . . . . . 3 PRO QG . . rr_2ndm 1
74 1 OR . 1 1 5 5 TYR H H . . . 1 1 4 4 CYS HB3 H . . . . . . . 4.21 . . . . . A . 5 TYR H . . A . 4 CYS HB3 . . . 5 TYR H . . . . . 4 CYSS QB . . rr_2ndm 1
74 2 OR . 1 1 5 5 TYR H H . . . 1 1 4 4 CYS HB2 H . . . . . . . 4.21 . . . . . A . 5 TYR H . . A . 4 CYS HB2 . . . 5 TYR H . . . . . 4 CYSS QB . . rr_2ndm 1
75 1 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB2 H . . . . . . . 3.48 . . . . . A . 5 TYR H . . A . 5 TYR HB2 . . . 5 TYR H . . . . . 5 TYR QB . . rr_2ndm 1
75 2 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB3 H . . . . . . . 3.48 . . . . . A . 5 TYR H . . A . 5 TYR HB3 . . . 5 TYR H . . . . . 5 TYR QB . . rr_2ndm 1
76 1 OR . 1 1 6 6 THR H H . . . 1 1 5 5 TYR HB2 H . . . . . . . 4.31 . . . . . A . 6 THR H . . A . 5 TYR HB2 . . . 6 THR H . . . . . 5 TYR QB . . rr_2ndm 1
76 2 OR . 1 1 6 6 THR H H . . . 1 1 5 5 TYR HB3 H . . . . . . . 4.31 . . . . . A . 6 THR H . . A . 5 TYR HB3 . . . 6 THR H . . . . . 5 TYR QB . . rr_2ndm 1
77 1 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD2 H . . . . . . . 4.57 . . . . . A . 7 LEU H . . A . 7 LEU MD2 . . . 7 LEU H . . . . . 7 LEU QQD . . rr_2ndm 1
77 2 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD1 H . . . . . . . 4.57 . . . . . A . 7 LEU H . . A . 7 LEU MD1 . . . 7 LEU H . . . . . 7 LEU QQD . . rr_2ndm 1
78 1 OR . 1 1 7 7 LEU H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 5.34 . . . . . A . 7 LEU H . . A . 8 GLN HB2 . . . 7 LEU H . . . . . 8 GLN QB . . rr_2ndm 1
78 2 OR . 1 1 7 7 LEU H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 5.34 . . . . . A . 7 LEU H . . A . 8 GLN HB3 . . . 7 LEU H . . . . . 8 GLN QB . . rr_2ndm 1
79 1 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU MD2 H . . . . . . . 3.55 . . . . . A . 7 LEU HA . . A . 7 LEU MD2 . . . 7 LEU HA . . . . . 7 LEU QQD . . rr_2ndm 1
79 2 OR . 1 1 7 7 LEU MD1 H . . . 1 1 7 7 LEU HA H . . . . . . . 3.55 . . . . . A . 7 LEU MD1 . . A . 7 LEU HA . . . 7 LEU QQD . . . . . 7 LEU HA . . rr_2ndm 1
80 1 OR . 1 1 8 8 GLN H H . . . 1 1 7 7 LEU HB2 H . . . . . . . 4.11 . . . . . A . 8 GLN H . . A . 7 LEU HB2 . . . 8 GLN H . . . . . 7 LEU QB . . rr_2ndm 1
80 2 OR . 1 1 8 8 GLN H H . . . 1 1 7 7 LEU HB3 H . . . . . . . 4.11 . . . . . A . 8 GLN H . . A . 7 LEU HB3 . . . 8 GLN H . . . . . 7 LEU QB . . rr_2ndm 1
81 1 OR . 1 1 9 9 SER H H . . . 1 1 7 7 LEU HB2 H . . . . . . . 5.21 . . . . . A . 9 SER H . . A . 7 LEU HB2 . . . 9 SER H . . . . . 7 LEU QB . . rr_2ndm 1
81 2 OR . 1 1 9 9 SER H H . . . 1 1 7 7 LEU HB3 H . . . . . . . 5.21 . . . . . A . 9 SER H . . A . 7 LEU HB3 . . . 9 SER H . . . . . 7 LEU QB . . rr_2ndm 1
82 1 OR . 1 1 8 8 GLN H H . . . 1 1 7 7 LEU MD2 H . . . . . . . 5.44 . . . . . A . 8 GLN H . . A . 7 LEU MD2 . . . 8 GLN H . . . . . 7 LEU QQD . . rr_2ndm 1
82 2 OR . 1 1 8 8 GLN H H . . . 1 1 7 7 LEU MD1 H . . . . . . . 5.44 . . . . . A . 8 GLN H . . A . 7 LEU MD1 . . . 8 GLN H . . . . . 7 LEU QQD . . rr_2ndm 1
83 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.55 . . . . . A . 8 GLN H . . A . 8 GLN HB2 . . . 8 GLN H . . . . . 8 GLN QB . . rr_2ndm 1
83 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.55 . . . . . A . 8 GLN H . . A . 8 GLN HB3 . . . 8 GLN H . . . . . 8 GLN QB . . rr_2ndm 1
84 1 OR . 1 1 9 9 SER H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.85 . . . . . A . 9 SER H . . A . 8 GLN HB2 . . . 9 SER H . . . . . 8 GLN QB . . rr_2ndm 1
84 2 OR . 1 1 9 9 SER H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.85 . . . . . A . 9 SER H . . A . 8 GLN HB3 . . . 9 SER H . . . . . 8 GLN QB . . rr_2ndm 1
85 1 OR . 1 1 10 10 CYS H H . . . 1 1 10 10 CYS HB3 H . . . . . . . 3.55 . . . . . A . 10 CYS H . . A . 10 CYS HB3 . . . 10 CYSS H . . . . . 10 CYSS QB . . rr_2ndm 1
85 2 OR . 1 1 10 10 CYS H H . . . 1 1 10 10 CYS HB2 H . . . . . . . 3.55 . . . . . A . 10 CYS H . . A . 10 CYS HB2 . . . 10 CYSS H . . . . . 10 CYSS QB . . rr_2ndm 1
86 1 OR . 1 1 11 11 PHE H H . . . 1 1 10 10 CYS HB3 H . . . . . . . 3.40 . . . . . A . 11 PHE H . . A . 10 CYS HB3 . . . 11 PHE H . . . . . 10 CYSS QB . . rr_2ndm 1
86 2 OR . 1 1 11 11 PHE H H . . . 1 1 10 10 CYS HB2 H . . . . . . . 3.40 . . . . . A . 11 PHE H . . A . 10 CYS HB2 . . . 11 PHE H . . . . . 10 CYSS QB . . rr_2ndm 1
87 1 OR . 1 1 11 11 PHE H H . . . 1 1 11 11 PHE HB3 H . . . . . . . 3.13 . . . . . A . 11 PHE H . . A . 11 PHE HB3 . . . 11 PHE H . . . . . 11 PHE QB . . rr_2ndm 1
87 2 OR . 1 1 11 11 PHE H H . . . 1 1 11 11 PHE HB2 H . . . . . . . 3.13 . . . . . A . 11 PHE H . . A . 11 PHE HB2 . . . 11 PHE H . . . . . 11 PHE QB . . rr_2ndm 1
88 1 OR . 1 1 11 11 PHE H H . . . 1 1 12 12 PRO HD2 H . . . . . . . 5.35 . . . . . A . 11 PHE H . . A . 12 PRO HD2 . . . 11 PHE H . . . . . 12 PRO QD . . rr_2ndm 1
88 2 OR . 1 1 11 11 PHE H H . . . 1 1 12 12 PRO HD3 H . . . . . . . 5.35 . . . . . A . 11 PHE H . . A . 12 PRO HD3 . . . 11 PHE H . . . . . 12 PRO QD . . rr_2ndm 1
89 1 OR . 1 1 11 11 PHE HA H . . . 1 1 12 12 PRO HG2 H . . . . . . . 4.58 . . . . . A . 11 PHE HA . . A . 12 PRO HG2 . . . 11 PHE HA . . . . . 12 PRO QG . . rr_2ndm 1
89 2 OR . 1 1 11 11 PHE HA H . . . 1 1 12 12 PRO HG3 H . . . . . . . 4.58 . . . . . A . 11 PHE HA . . A . 12 PRO HG3 . . . 11 PHE HA . . . . . 12 PRO QG . . rr_2ndm 1
90 1 OR . 1 1 11 11 PHE HA H . . . 1 1 12 12 PRO HD2 H . . . . . . . 3.06 . . . . . A . 11 PHE HA . . A . 12 PRO HD2 . . . 11 PHE HA . . . . . 12 PRO QD . . rr_2ndm 1
90 2 OR . 1 1 11 11 PHE HA H . . . 1 1 12 12 PRO HD3 H . . . . . . . 3.06 . . . . . A . 11 PHE HA . . A . 12 PRO HD3 . . . 11 PHE HA . . . . . 12 PRO QD . . rr_2ndm 1
91 1 OR . 1 1 13 13 ASP H H . . . 1 1 12 12 PRO HG2 H . . . . . . . 4.75 . . . . . A . 13 ASP H . . A . 12 PRO HG2 . . . 13 ASP H . . . . . 12 PRO QG . . rr_2ndm 1
91 2 OR . 1 1 13 13 ASP H H . . . 1 1 12 12 PRO HG3 H . . . . . . . 4.75 . . . . . A . 13 ASP H . . A . 12 PRO HG3 . . . 13 ASP H . . . . . 12 PRO QG . . rr_2ndm 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 9 #SUP 0.96 #QF 0.96" 1 49 1 74 rr_2ndm 1
2 "peak 10 #SUP 0.99 #QF 0.99" 2 49 2 75 rr_2ndm 1
3 "peak 11 #SUP 0.77 #QF 0.77" 3 49 3 75 rr_2ndm 1
4 "peak 12 #SUP 0.97 #QF 0.97" 4 49 4 75 rr_2ndm 1
5 "peak 13 #SUP 1.00" 5 49 5 66 rr_2ndm 1
6 "peak 15 #SUP 0.70 #QF 0.70" 6 49 6 75 rr_2ndm 1
7 "peak 17 #SUP 1.00" 7 49 7 66 rr_2ndm 1
8 "peak 18 #SUP 1.00" 8 49 8 66 rr_2ndm 1
9 "peak 25 #SUP 0.96 #QF 0.96" 9 49 9 75 rr_2ndm 1
10 "peak 29 #SUP 1.00" 10 49 10 66 rr_2ndm 1
11 "peak 30 #SUP 0.89 #QF 0.89" 11 49 11 75 rr_2ndm 1
12 "peak 31 #SUP 0.90 #QF 0.90" 12 49 12 75 rr_2ndm 1
13 "peak 33 #SUP 0.98 #QF 0.98" 13 49 13 75 rr_2ndm 1
14 "peak 34 #SUP 0.99 #QF 0.99" 14 49 14 75 rr_2ndm 1
15 "peak 35 #SUP 1.00" 15 49 15 66 rr_2ndm 1
16 "peak 36 #SUP 1.00" 16 49 16 66 rr_2ndm 1
17 "peak 39 #SUP 0.99 #QF 0.99" 17 49 17 75 rr_2ndm 1
18 "peak 42 #SUP 1.00" 18 49 18 66 rr_2ndm 1
19 "peak 43 #SUP 1.00" 19 49 19 66 rr_2ndm 1
20 "peak 45 #SUP 1.00" 20 49 20 66 rr_2ndm 1
21 "peak 46 #SUP 0.88 #QF 0.88" 21 49 21 75 rr_2ndm 1
22 "peak 50 #SUP 1.00" 22 49 22 66 rr_2ndm 1
23 "peak 51 #SUP 1.00" 23 49 23 66 rr_2ndm 1
24 "peak 52 #SUP 0.95 #QF 0.95" 24 49 24 75 rr_2ndm 1
25 "peak 53 #SUP 1.00" 25 49 25 66 rr_2ndm 1
26 "peak 56 #SUP 0.63 #QF 0.63" 26 49 26 75 rr_2ndm 1
27 "peak 59 #SUP 0.95 #QF 0.95" 27 49 27 75 rr_2ndm 1
28 "peak 60 #SUP 0.91 #QF 0.91" 28 49 28 75 rr_2ndm 1
29 "peak 62 #SUP 1.00" 29 49 29 66 rr_2ndm 1
30 "peak 63 #SUP 0.95 #QF 0.95" 30 49 30 75 rr_2ndm 1
31 "peak 64 #SUP 1.00" 31 49 31 66 rr_2ndm 1
32 "peak 65 #SUP 0.84 #QF 0.84" 32 49 32 75 rr_2ndm 1
33 "peak 66 #SUP 0.98 #QF 0.98" 33 49 33 75 rr_2ndm 1
34 "peak 67 #SUP 0.84 #QF 0.84" 34 49 34 75 rr_2ndm 1
35 "peak 70 #SUP 1.00" 35 49 35 66 rr_2ndm 1
36 "peak 71 #SUP 0.99 #QF 0.99" 36 49 36 75 rr_2ndm 1
37 "peak 74 #SUP 1.00 #QF 0.20" 37 49 37 75 rr_2ndm 1
38 "peak 85 #SUP 0.78 #QF 0.78" 38 49 38 75 rr_2ndm 1
39 "peak 86 #SUP 0.77 #QF 0.77" 39 49 39 75 rr_2ndm 1
40 "peak 89 #SUP 1.00 #QF 0.78" 40 49 40 75 rr_2ndm 1
41 "peak 95 #SUP 1.00 #QF 0.69" 41 49 41 75 rr_2ndm 1
42 "peak 111 #SUP 0.95 #QF 0.95" 42 49 42 76 rr_2ndm 1
43 "peak 113 #SUP 0.96 #QF 0.96" 43 49 43 76 rr_2ndm 1
44 "peak 114 #SUP 1.00" 44 49 44 67 rr_2ndm 1
45 "peak 116 #SUP 0.89 #QF 0.89" 45 49 45 76 rr_2ndm 1
46 "peak 118 #SUP 0.96 #QF 0.96" 46 49 46 76 rr_2ndm 1
47 "peak 120 #SUP 0.95 #QF 0.95" 47 49 47 76 rr_2ndm 1
48 "peak 121 #SUP 0.88 #QF 0.88" 48 49 48 76 rr_2ndm 1
49 "peak 122 #SUP 0.99 #QF 0.49" 49 49 49 76 rr_2ndm 1
50 "peak 122 #SUP 0.99 #QF 0.49" 50 49 50 76 rr_2ndm 1
51 "peak 123 #SUP 0.96 #QF 0.96" 51 49 51 76 rr_2ndm 1
52 "peak 124 #SUP 0.94 #QF 0.94" 52 49 52 76 rr_2ndm 1
53 "peak 125 #SUP 0.98 #QF 0.98" 53 49 53 76 rr_2ndm 1
54 "peak 127 #SUP 0.99 #QF 0.99" 54 49 54 76 rr_2ndm 1
55 "peak 131 #SUP 1.00" 55 49 55 67 rr_2ndm 1
56 "peak 135 #SUP 0.97 #QF 0.97" 56 49 56 76 rr_2ndm 1
57 "peak 163 #SUP 0.71 #QF 0.71" 57 49 57 76 rr_2ndm 1
58 "peak 167 #SUP 0.87 #QF 0.87" 58 49 58 76 rr_2ndm 1
59 "peak 168 #SUP 0.62 #QF 0.62" 59 49 59 76 rr_2ndm 1
60 "peak 175 #SUP 1.00" 60 49 60 67 rr_2ndm 1
61 "peak 186 #SUP 1.00" 61 49 61 67 rr_2ndm 1
62 "peak 209 #SUP 0.73 #QF 0.73" 62 49 62 76 rr_2ndm 1
63 "peak 210 #SUP 0.49 #QF 0.49" 63 49 63 76 rr_2ndm 1
64 "peak 3" 64 49 64 55 rr_2ndm 1
65 "peak 9" 65 49 65 55 rr_2ndm 1
66 "peak 138" 66 49 66 57 rr_2ndm 1
67 "peak 140" 67 49 67 57 rr_2ndm 1
68 "peak 70" 68 49 68 56 rr_2ndm 1
69 "peak 144" 69 49 69 57 rr_2ndm 1
70 "peak 77" 70 49 70 56 rr_2ndm 1
71 "peak 173" 71 49 71 57 rr_2ndm 1
72 "peak 157" 72 49 72 57 rr_2ndm 1
73 "peak 172" 73 49 73 57 rr_2ndm 1
74 "peak 17" 74 49 74 56 rr_2ndm 1
75 "peak 19" 75 49 75 56 rr_2ndm 1
76 "peak 24" 76 49 76 56 rr_2ndm 1
77 "peak 35" 77 49 77 56 rr_2ndm 1
78 "peak 57" 78 49 78 56 rr_2ndm 1
79 "peak 179" 79 49 79 57 rr_2ndm 1
80 "peak 43" 80 49 80 56 rr_2ndm 1
81 "peak 55" 81 49 81 56 rr_2ndm 1
82 "peak 44" 82 49 82 56 rr_2ndm 1
83 "peak 41" 83 49 83 56 rr_2ndm 1
84 "peak 52" 84 49 84 56 rr_2ndm 1
85 "peak 63" 85 49 85 56 rr_2ndm 1
86 "peak 68" 86 49 86 56 rr_2ndm 1
87 "peak 67" 87 49 87 56 rr_2ndm 1
88 "peak 108" 88 49 88 57 rr_2ndm 1
89 "peak 95" 89 49 89 56 rr_2ndm 1
90 "peak 86" 90 49 90 56 rr_2ndm 1
91 "peak 118" 91 49 91 57 rr_2ndm 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_2ndm
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2ndm 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 13 13 ASP H H . . . 1 1 2 2 ARG O O . . . . . . . 2.3 . . . . . A . 13 ASP H . . A . 2 ARG O . . . 13 ASP H . . . . . 2 ARG O . . rr_2ndm 2
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 "13 ASP N 2 ARG O 3.3 2 ARG H 2 ARG QB 3.26 #peak 8 #SUP 0.98 #QF 0.98" 3 1 3 100 rr_2ndm 2
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .13.O' (nmrStar names) not linked" rr_2ndm 2
stop_
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_2ndm
_Distance_constraint_list.ID 2
_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 4
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_2ndm 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2ndm 1
2 1 . . . rr_2ndm 1
3 1 . . . rr_2ndm 1
4 1 . . . rr_2ndm 1
5 1 . . . rr_2ndm 1
6 1 . . . rr_2ndm 1
7 1 . . . rr_2ndm 1
8 1 . . . rr_2ndm 1
9 1 . . . rr_2ndm 1
10 1 . . . rr_2ndm 1
11 1 . . . rr_2ndm 1
12 1 . . . rr_2ndm 1
13 1 . . . rr_2ndm 1
14 1 . . . rr_2ndm 1
15 1 . . . rr_2ndm 1
16 1 . . . rr_2ndm 1
17 1 2 . OR rr_2ndm 1
17 2 . 3 . rr_2ndm 1
17 3 . . . rr_2ndm 1
18 1 . . . rr_2ndm 1
19 1 . . . rr_2ndm 1
20 1 . . . rr_2ndm 1
21 1 . . . rr_2ndm 1
22 1 2 . OR rr_2ndm 1
22 2 . 3 . rr_2ndm 1
22 3 . . . rr_2ndm 1
23 1 2 . OR rr_2ndm 1
23 2 . 3 . rr_2ndm 1
23 3 . . . rr_2ndm 1
24 1 . . . rr_2ndm 1
25 1 . . . rr_2ndm 1
26 1 . . . rr_2ndm 1
27 1 2 . OR rr_2ndm 1
27 2 . 3 . rr_2ndm 1
27 3 . . . rr_2ndm 1
28 1 . . . rr_2ndm 1
29 1 . . . rr_2ndm 1
30 1 . . . rr_2ndm 1
31 1 2 . OR rr_2ndm 1
31 2 . 3 . rr_2ndm 1
31 3 . . . rr_2ndm 1
32 1 . . . rr_2ndm 1
33 1 . . . rr_2ndm 1
34 1 . . . rr_2ndm 1
35 1 . . . rr_2ndm 1
36 1 . . . rr_2ndm 1
37 1 2 . OR rr_2ndm 1
37 2 . 3 . rr_2ndm 1
37 3 . . . rr_2ndm 1
38 1 . . . rr_2ndm 1
39 1 . . . rr_2ndm 1
40 1 . . . rr_2ndm 1
41 1 . . . rr_2ndm 1
42 1 . . . rr_2ndm 1
43 1 . . . rr_2ndm 1
44 1 . . . rr_2ndm 1
45 1 . . . rr_2ndm 1
46 1 . . . rr_2ndm 1
47 1 . . . rr_2ndm 1
48 1 . . . rr_2ndm 1
49 1 . . . rr_2ndm 1
50 1 . . . rr_2ndm 1
51 1 . . . rr_2ndm 1
52 1 . . . rr_2ndm 1
53 1 . . . rr_2ndm 1
54 1 . . . rr_2ndm 1
55 1 . . . rr_2ndm 1
56 1 . . . rr_2ndm 1
57 1 . . . rr_2ndm 1
58 1 . . . rr_2ndm 1
59 1 . . . rr_2ndm 1
60 1 . . . rr_2ndm 1
61 1 2 . OR rr_2ndm 1
61 2 . 3 . rr_2ndm 1
61 3 . . . rr_2ndm 1
62 1 . . . rr_2ndm 1
63 1 . . . rr_2ndm 1
64 1 2 . OR rr_2ndm 1
64 2 . 3 . rr_2ndm 1
64 3 . . . rr_2ndm 1
65 1 2 . OR rr_2ndm 1
65 2 . 3 . rr_2ndm 1
65 3 . . . rr_2ndm 1
66 1 2 . OR rr_2ndm 1
66 2 . 3 . rr_2ndm 1
66 3 . . . rr_2ndm 1
67 1 2 . OR rr_2ndm 1
67 2 . 3 . rr_2ndm 1
67 3 . . . rr_2ndm 1
68 1 2 . OR rr_2ndm 1
68 2 . 3 . rr_2ndm 1
68 3 . . . rr_2ndm 1
69 1 2 . OR rr_2ndm 1
69 2 . 3 . rr_2ndm 1
69 3 . 4 . rr_2ndm 1
69 4 . 5 . rr_2ndm 1
69 5 . . . rr_2ndm 1
70 1 2 . OR rr_2ndm 1
70 2 . 3 . rr_2ndm 1
70 3 . 4 . rr_2ndm 1
70 4 . 5 . rr_2ndm 1
70 5 . . . rr_2ndm 1
71 1 2 . OR rr_2ndm 1
71 2 . 3 . rr_2ndm 1
71 3 . . . rr_2ndm 1
72 1 2 . OR rr_2ndm 1
72 2 . 3 . rr_2ndm 1
72 3 . . . rr_2ndm 1
73 1 2 . OR rr_2ndm 1
73 2 . 3 . rr_2ndm 1
73 3 . . . rr_2ndm 1
74 1 2 . OR rr_2ndm 1
74 2 . 3 . rr_2ndm 1
74 3 . . . rr_2ndm 1
75 1 2 . OR rr_2ndm 1
75 2 . 3 . rr_2ndm 1
75 3 . . . rr_2ndm 1
76 1 2 . OR rr_2ndm 1
76 2 . 3 . rr_2ndm 1
76 3 . . . rr_2ndm 1
77 1 2 . OR rr_2ndm 1
77 2 . 3 . rr_2ndm 1
77 3 . . . rr_2ndm 1
78 1 2 . OR rr_2ndm 1
78 2 . 3 . rr_2ndm 1
78 3 . . . rr_2ndm 1
79 1 2 . OR rr_2ndm 1
79 2 . 3 . rr_2ndm 1
79 3 . . . rr_2ndm 1
80 1 2 . OR rr_2ndm 1
80 2 . 3 . rr_2ndm 1
80 3 . . . rr_2ndm 1
81 1 2 . OR rr_2ndm 1
81 2 . 3 . rr_2ndm 1
81 3 . . . rr_2ndm 1
82 1 2 . OR rr_2ndm 1
82 2 . 3 . rr_2ndm 1
82 3 . . . rr_2ndm 1
83 1 2 . OR rr_2ndm 1
83 2 . 3 . rr_2ndm 1
83 3 . . . rr_2ndm 1
84 1 2 . OR rr_2ndm 1
84 2 . 3 . rr_2ndm 1
84 3 . . . rr_2ndm 1
85 1 2 . OR rr_2ndm 1
85 2 . 3 . rr_2ndm 1
85 3 . . . rr_2ndm 1
86 1 2 . OR rr_2ndm 1
86 2 . 3 . rr_2ndm 1
86 3 . . . rr_2ndm 1
87 1 2 . OR rr_2ndm 1
87 2 . 3 . rr_2ndm 1
87 3 . . . rr_2ndm 1
88 1 2 . OR rr_2ndm 1
88 2 . 3 . rr_2ndm 1
88 3 . . . rr_2ndm 1
89 1 2 . OR rr_2ndm 1
89 2 . 3 . rr_2ndm 1
89 3 . . . rr_2ndm 1
90 1 2 . OR rr_2ndm 1
90 2 . 3 . rr_2ndm 1
90 3 . . . rr_2ndm 1
91 1 2 . OR rr_2ndm 1
91 2 . 3 . rr_2ndm 1
91 3 . . . rr_2ndm 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 ARG H H . . . . 2 ARG H rr_2ndm 1
1 1 . 2 . 1 1 2 2 ARG HG3 H . . . . 2 ARG HG3 rr_2ndm 1
2 1 . 1 . 1 1 2 2 ARG H H . . . . 2 ARG H rr_2ndm 1
2 1 . 2 . 1 1 2 2 ARG HG2 H . . . . 2 ARG HG2 rr_2ndm 1
3 1 . 1 . 1 1 3 3 PRO HA H . . . . 3 PRO HA rr_2ndm 1
3 1 . 2 . 1 1 4 4 CYS H H . . . . 4 CYSS H rr_2ndm 1
4 1 . 1 . 1 1 4 4 CYS H H . . . . 4 CYSS H rr_2ndm 1
4 1 . 2 . 1 1 4 4 CYS HB3 H . . . . 4 CYSS HB3 rr_2ndm 1
5 1 . 1 . 1 1 4 4 CYS H H . . . . 4 CYSS H rr_2ndm 1
5 1 . 2 . 1 1 4 4 CYS HB2 H . . . . 4 CYSS HB2 rr_2ndm 1
6 1 . 1 . 1 1 4 4 CYS HA H . . . . 4 CYSS HA rr_2ndm 1
6 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
7 1 . 1 . 1 1 4 4 CYS HB2 H . . . . 4 CYSS HB2 rr_2ndm 1
7 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
8 1 . 1 . 1 1 4 4 CYS HB3 H . . . . 4 CYSS HB3 rr_2ndm 1
8 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
9 1 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2ndm 1
9 1 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2ndm 1
10 1 . 1 . 1 1 6 6 THR H H . . . . 6 THR H rr_2ndm 1
10 1 . 2 . 1 1 6 6 THR MG H . . . . 6 THR QG2 rr_2ndm 1
11 1 . 1 . 1 1 6 6 THR HA H . . . . 6 THR HA rr_2ndm 1
11 1 . 2 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
12 1 . 1 . 1 1 6 6 THR HB H . . . . 6 THR HB rr_2ndm 1
12 1 . 2 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
13 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
13 1 . 2 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB3 rr_2ndm 1
14 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
14 1 . 2 . 1 1 7 7 LEU HB2 H . . . . 7 LEU HB2 rr_2ndm 1
15 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
15 1 . 2 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QD2 rr_2ndm 1
16 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
16 1 . 2 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QD1 rr_2ndm 1
17 2 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
17 2 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_2ndm 1
17 3 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
17 3 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_2ndm 1
18 1 . 1 . 1 1 7 7 LEU HB3 H . . . . 7 LEU HB3 rr_2ndm 1
18 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
19 1 . 1 . 1 1 7 7 LEU HB2 H . . . . 7 LEU HB2 rr_2ndm 1
19 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
20 1 . 1 . 1 1 6 6 THR MG H . . . . 6 THR QG2 rr_2ndm 1
20 1 . 2 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
21 1 . 1 . 1 1 6 6 THR MG H . . . . 6 THR QG2 rr_2ndm 1
21 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
22 2 . 1 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
22 2 . 2 . 1 1 9 9 SER HB2 H . . . . 9 SER QB rr_2ndm 1
22 3 . 1 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
22 3 . 2 . 1 1 9 9 SER HB3 H . . . . 9 SER QB rr_2ndm 1
23 2 . 1 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_2ndm 1
23 2 . 2 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
23 3 . 1 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_2ndm 1
23 3 . 2 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
24 1 . 1 . 1 1 8 8 GLN HB3 H . . . . 8 GLN HB3 rr_2ndm 1
24 1 . 2 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
25 1 . 1 . 1 1 8 8 GLN HB2 H . . . . 8 GLN HB2 rr_2ndm 1
25 1 . 2 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
26 1 . 1 . 1 1 6 6 THR MG H . . . . 6 THR QG2 rr_2ndm 1
26 1 . 2 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
27 2 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
27 2 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_2ndm 1
27 3 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
27 3 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_2ndm 1
28 1 . 1 . 1 1 9 9 SER HA H . . . . 9 SER HA rr_2ndm 1
28 1 . 2 . 1 1 10 10 CYS H H . . . . 10 CYSS H rr_2ndm 1
29 1 . 1 . 1 1 10 10 CYS H H . . . . 10 CYSS H rr_2ndm 1
29 1 . 2 . 1 1 10 10 CYS HB2 H . . . . 10 CYSS HB2 rr_2ndm 1
30 1 . 1 . 1 1 10 10 CYS H H . . . . 10 CYSS H rr_2ndm 1
30 1 . 2 . 1 1 10 10 CYS HB3 H . . . . 10 CYSS HB3 rr_2ndm 1
31 2 . 1 . 1 1 9 9 SER HB2 H . . . . 9 SER QB rr_2ndm 1
31 2 . 2 . 1 1 10 10 CYS H H . . . . 10 CYSS H rr_2ndm 1
31 3 . 1 . 1 1 9 9 SER HB3 H . . . . 9 SER QB rr_2ndm 1
31 3 . 2 . 1 1 10 10 CYS H H . . . . 10 CYSS H rr_2ndm 1
32 1 . 1 . 1 1 10 10 CYS HA H . . . . 10 CYSS HA rr_2ndm 1
32 1 . 2 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
33 1 . 1 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
33 1 . 2 . 1 1 11 11 PHE HB2 H . . . . 11 PHE HB2 rr_2ndm 1
34 1 . 1 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
34 1 . 2 . 1 1 11 11 PHE HB3 H . . . . 11 PHE HB3 rr_2ndm 1
35 1 . 1 . 1 1 2 2 ARG HA H . . . . 2 ARG HA rr_2ndm 1
35 1 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 PRO HD2 rr_2ndm 1
36 1 . 1 . 1 1 2 2 ARG HA H . . . . 2 ARG HA rr_2ndm 1
36 1 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 PRO HD3 rr_2ndm 1
37 2 . 1 . 1 1 2 2 ARG HB2 H . . . . 2 ARG QB rr_2ndm 1
37 2 . 2 . 1 1 3 3 PRO HA H . . . . 3 PRO HA rr_2ndm 1
37 3 . 1 . 1 1 2 2 ARG HB3 H . . . . 2 ARG QB rr_2ndm 1
37 3 . 2 . 1 1 3 3 PRO HA H . . . . 3 PRO HA rr_2ndm 1
38 1 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
38 1 . 2 . 1 1 12 12 PRO HD2 H . . . . 12 PRO HD2 rr_2ndm 1
39 1 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
39 1 . 2 . 1 1 12 12 PRO HD3 H . . . . 12 PRO HD3 rr_2ndm 1
40 1 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
40 1 . 2 . 1 1 12 12 PRO HG3 H . . . . 12 PRO HG3 rr_2ndm 1
41 1 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
41 1 . 2 . 1 1 12 12 PRO HG2 H . . . . 12 PRO HG2 rr_2ndm 1
42 1 . 1 . 1 1 12 12 PRO HA H . . . . 12 PRO HA rr_2ndm 1
42 1 . 2 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
43 1 . 1 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
43 1 . 2 . 1 1 13 13 ASP HB2 H . . . . 13 ASP HB2 rr_2ndm 1
44 1 . 1 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
44 1 . 2 . 1 1 13 13 ASP HB3 H . . . . 13 ASP HB3 rr_2ndm 1
45 1 . 1 . 1 1 12 12 PRO HG2 H . . . . 12 PRO HG2 rr_2ndm 1
45 1 . 2 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
46 1 . 1 . 1 1 12 12 PRO HG3 H . . . . 12 PRO HG3 rr_2ndm 1
46 1 . 2 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
47 1 . 1 . 1 1 2 2 ARG H H . . . . 2 ARG H rr_2ndm 1
47 1 . 2 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
48 1 . 1 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
48 1 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2ndm 1
49 1 . 1 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
49 1 . 2 . 1 1 5 5 TYR QE H . . . . 5 TYR QE rr_2ndm 1
50 1 . 1 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
50 1 . 2 . 1 1 6 6 THR H H . . . . 6 THR H rr_2ndm 1
51 1 . 1 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
51 1 . 2 . 1 1 11 11 PHE QD H . . . . 11 PHE QD rr_2ndm 1
52 1 . 1 . 1 1 10 10 CYS H H . . . . 10 CYSS H rr_2ndm 1
52 1 . 2 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
53 1 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
53 1 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
54 1 . 1 . 1 1 4 4 CYS H H . . . . 4 CYSS H rr_2ndm 1
54 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
55 1 . 1 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
55 1 . 2 . 1 1 10 10 CYS H H . . . . 10 CYSS H rr_2ndm 1
56 1 . 1 . 1 1 6 6 THR H H . . . . 6 THR H rr_2ndm 1
56 1 . 2 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
57 1 . 1 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
57 1 . 2 . 1 1 6 6 THR MG H . . . . 6 THR QG2 rr_2ndm 1
58 1 . 1 . 1 1 6 6 THR HA H . . . . 6 THR HA rr_2ndm 1
58 1 . 2 . 1 1 6 6 THR HB H . . . . 6 THR HB rr_2ndm 1
59 1 . 1 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2ndm 1
59 1 . 2 . 1 1 6 6 THR MG H . . . . 6 THR QG2 rr_2ndm 1
60 1 . 1 . 1 1 6 6 THR HA H . . . . 6 THR HA rr_2ndm 1
60 1 . 2 . 1 1 6 6 THR MG H . . . . 6 THR QG2 rr_2ndm 1
61 2 . 1 . 1 1 8 8 GLN HA H . . . . 8 GLN HA rr_2ndm 1
61 2 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 GLN QG rr_2ndm 1
61 3 . 1 . 1 1 8 8 GLN HA H . . . . 8 GLN HA rr_2ndm 1
61 3 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 GLN QG rr_2ndm 1
62 1 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
62 1 . 2 . 1 1 11 11 PHE QD H . . . . 11 PHE QD rr_2ndm 1
63 1 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
63 1 . 2 . 1 1 11 11 PHE QE H . . . . 11 PHE QE rr_2ndm 1
64 2 . 1 . 1 1 1 1 GLY HA2 H . . . . 1 GLY QA rr_2ndm 1
64 2 . 2 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
64 3 . 1 . 1 1 1 1 GLY HA3 H . . . . 1 GLY QA rr_2ndm 1
64 3 . 2 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
65 2 . 1 . 1 1 2 2 ARG H H . . . . 2 ARG H rr_2ndm 1
65 2 . 2 . 1 1 2 2 ARG HG3 H . . . . 2 ARG QG rr_2ndm 1
65 3 . 1 . 1 1 2 2 ARG H H . . . . 2 ARG H rr_2ndm 1
65 3 . 2 . 1 1 2 2 ARG HG2 H . . . . 2 ARG QG rr_2ndm 1
66 2 . 1 . 1 1 2 2 ARG H H . . . . 2 ARG H rr_2ndm 1
66 2 . 2 . 1 1 2 2 ARG HD2 H . . . . 2 ARG QD rr_2ndm 1
66 3 . 1 . 1 1 2 2 ARG H H . . . . 2 ARG H rr_2ndm 1
66 3 . 2 . 1 1 2 2 ARG HD3 H . . . . 2 ARG QD rr_2ndm 1
67 2 . 1 . 1 1 2 2 ARG HA H . . . . 2 ARG HA rr_2ndm 1
67 2 . 2 . 1 1 2 2 ARG HD2 H . . . . 2 ARG QD rr_2ndm 1
67 3 . 1 . 1 1 2 2 ARG HA H . . . . 2 ARG HA rr_2ndm 1
67 3 . 2 . 1 1 2 2 ARG HD3 H . . . . 2 ARG QD rr_2ndm 1
68 2 . 1 . 1 1 2 2 ARG HA H . . . . 2 ARG HA rr_2ndm 1
68 2 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 PRO QD rr_2ndm 1
68 3 . 1 . 1 1 2 2 ARG HA H . . . . 2 ARG HA rr_2ndm 1
68 3 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 PRO QD rr_2ndm 1
69 2 . 1 . 1 1 2 2 ARG HB2 H . . . . 2 ARG QB rr_2ndm 1
69 2 . 2 . 1 1 2 2 ARG HD2 H . . . . 2 ARG QD rr_2ndm 1
69 3 . 1 . 1 1 2 2 ARG HB3 H . . . . 2 ARG QB rr_2ndm 1
69 3 . 2 . 1 1 2 2 ARG HD2 H . . . . 2 ARG QD rr_2ndm 1
69 4 . 1 . 1 1 2 2 ARG HB2 H . . . . 2 ARG QB rr_2ndm 1
69 4 . 2 . 1 1 2 2 ARG HD3 H . . . . 2 ARG QD rr_2ndm 1
69 5 . 1 . 1 1 2 2 ARG HB3 H . . . . 2 ARG QB rr_2ndm 1
69 5 . 2 . 1 1 2 2 ARG HD3 H . . . . 2 ARG QD rr_2ndm 1
70 2 . 1 . 1 1 2 2 ARG HB2 H . . . . 2 ARG QB rr_2ndm 1
70 2 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 PRO QD rr_2ndm 1
70 3 . 1 . 1 1 2 2 ARG HB3 H . . . . 2 ARG QB rr_2ndm 1
70 3 . 2 . 1 1 3 3 PRO HD2 H . . . . 3 PRO QD rr_2ndm 1
70 4 . 1 . 1 1 2 2 ARG HB2 H . . . . 2 ARG QB rr_2ndm 1
70 4 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 PRO QD rr_2ndm 1
70 5 . 1 . 1 1 2 2 ARG HB3 H . . . . 2 ARG QB rr_2ndm 1
70 5 . 2 . 1 1 3 3 PRO HD3 H . . . . 3 PRO QD rr_2ndm 1
71 2 . 1 . 1 1 3 3 PRO HB2 H . . . . 3 PRO QB rr_2ndm 1
71 2 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2ndm 1
71 3 . 1 . 1 1 3 3 PRO HB3 H . . . . 3 PRO QB rr_2ndm 1
71 3 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2ndm 1
72 2 . 1 . 1 1 3 3 PRO HG2 H . . . . 3 PRO QG rr_2ndm 1
72 2 . 2 . 1 1 4 4 CYS H H . . . . 4 CYSS H rr_2ndm 1
72 3 . 1 . 1 1 3 3 PRO HG3 H . . . . 3 PRO QG rr_2ndm 1
72 3 . 2 . 1 1 4 4 CYS H H . . . . 4 CYSS H rr_2ndm 1
73 2 . 1 . 1 1 3 3 PRO HG2 H . . . . 3 PRO QG rr_2ndm 1
73 2 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2ndm 1
73 3 . 1 . 1 1 3 3 PRO HG3 H . . . . 3 PRO QG rr_2ndm 1
73 3 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2ndm 1
74 2 . 1 . 1 1 4 4 CYS HB3 H . . . . 4 CYSS QB rr_2ndm 1
74 2 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
74 3 . 1 . 1 1 4 4 CYS HB2 H . . . . 4 CYSS QB rr_2ndm 1
74 3 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
75 2 . 1 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
75 2 . 2 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2ndm 1
75 3 . 1 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2ndm 1
75 3 . 2 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2ndm 1
76 2 . 1 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2ndm 1
76 2 . 2 . 1 1 6 6 THR H H . . . . 6 THR H rr_2ndm 1
76 3 . 1 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2ndm 1
76 3 . 2 . 1 1 6 6 THR H H . . . . 6 THR H rr_2ndm 1
77 2 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
77 2 . 2 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QQD rr_2ndm 1
77 3 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
77 3 . 2 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QQD rr_2ndm 1
78 2 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
78 2 . 2 . 1 1 8 8 GLN HB2 H . . . . 8 GLN QB rr_2ndm 1
78 3 . 1 . 1 1 7 7 LEU H H . . . . 7 LEU H rr_2ndm 1
78 3 . 2 . 1 1 8 8 GLN HB3 H . . . . 8 GLN QB rr_2ndm 1
79 2 . 1 . 1 1 7 7 LEU HA H . . . . 7 LEU HA rr_2ndm 1
79 2 . 2 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QQD rr_2ndm 1
79 3 . 1 . 1 1 7 7 LEU HA H . . . . 7 LEU HA rr_2ndm 1
79 3 . 2 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QQD rr_2ndm 1
80 2 . 1 . 1 1 7 7 LEU HB2 H . . . . 7 LEU QB rr_2ndm 1
80 2 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
80 3 . 1 . 1 1 7 7 LEU HB3 H . . . . 7 LEU QB rr_2ndm 1
80 3 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
81 2 . 1 . 1 1 7 7 LEU HB2 H . . . . 7 LEU QB rr_2ndm 1
81 2 . 2 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
81 3 . 1 . 1 1 7 7 LEU HB3 H . . . . 7 LEU QB rr_2ndm 1
81 3 . 2 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
82 2 . 1 . 1 1 7 7 LEU MD2 H . . . . 7 LEU QQD rr_2ndm 1
82 2 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
82 3 . 1 . 1 1 7 7 LEU MD1 H . . . . 7 LEU QQD rr_2ndm 1
82 3 . 2 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
83 2 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
83 2 . 2 . 1 1 8 8 GLN HB2 H . . . . 8 GLN QB rr_2ndm 1
83 3 . 1 . 1 1 8 8 GLN H H . . . . 8 GLN H rr_2ndm 1
83 3 . 2 . 1 1 8 8 GLN HB3 H . . . . 8 GLN QB rr_2ndm 1
84 2 . 1 . 1 1 8 8 GLN HB2 H . . . . 8 GLN QB rr_2ndm 1
84 2 . 2 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
84 3 . 1 . 1 1 8 8 GLN HB3 H . . . . 8 GLN QB rr_2ndm 1
84 3 . 2 . 1 1 9 9 SER H H . . . . 9 SER H rr_2ndm 1
85 2 . 1 . 1 1 10 10 CYS H H . . . . 10 CYSS H rr_2ndm 1
85 2 . 2 . 1 1 10 10 CYS HB3 H . . . . 10 CYSS QB rr_2ndm 1
85 3 . 1 . 1 1 10 10 CYS H H . . . . 10 CYSS H rr_2ndm 1
85 3 . 2 . 1 1 10 10 CYS HB2 H . . . . 10 CYSS QB rr_2ndm 1
86 2 . 1 . 1 1 10 10 CYS HB3 H . . . . 10 CYSS QB rr_2ndm 1
86 2 . 2 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
86 3 . 1 . 1 1 10 10 CYS HB2 H . . . . 10 CYSS QB rr_2ndm 1
86 3 . 2 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
87 2 . 1 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
87 2 . 2 . 1 1 11 11 PHE HB3 H . . . . 11 PHE QB rr_2ndm 1
87 3 . 1 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
87 3 . 2 . 1 1 11 11 PHE HB2 H . . . . 11 PHE QB rr_2ndm 1
88 2 . 1 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
88 2 . 2 . 1 1 12 12 PRO HD2 H . . . . 12 PRO QD rr_2ndm 1
88 3 . 1 . 1 1 11 11 PHE H H . . . . 11 PHE H rr_2ndm 1
88 3 . 2 . 1 1 12 12 PRO HD3 H . . . . 12 PRO QD rr_2ndm 1
89 2 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
89 2 . 2 . 1 1 12 12 PRO HG2 H . . . . 12 PRO QG rr_2ndm 1
89 3 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
89 3 . 2 . 1 1 12 12 PRO HG3 H . . . . 12 PRO QG rr_2ndm 1
90 2 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
90 2 . 2 . 1 1 12 12 PRO HD2 H . . . . 12 PRO QD rr_2ndm 1
90 3 . 1 . 1 1 11 11 PHE HA H . . . . 11 PHE HA rr_2ndm 1
90 3 . 2 . 1 1 12 12 PRO HD3 H . . . . 12 PRO QD rr_2ndm 1
91 2 . 1 . 1 1 12 12 PRO HG2 H . . . . 12 PRO QG rr_2ndm 1
91 2 . 2 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
91 3 . 1 . 1 1 12 12 PRO HG3 H . . . . 12 PRO QG rr_2ndm 1
91 3 . 2 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 3.88 rr_2ndm 1
2 1 . . . . . . . . 3.88 rr_2ndm 1
3 1 . . . . . . . . 3.16 rr_2ndm 1
4 1 . . . . . . . . 4.05 rr_2ndm 1
5 1 . . . . . . . . 4.05 rr_2ndm 1
6 1 . . . . . . . . 3.15 rr_2ndm 1
7 1 . . . . . . . . 4.84 rr_2ndm 1
8 1 . . . . . . . . 4.84 rr_2ndm 1
9 1 . . . . . . . . 3.63 rr_2ndm 1
10 1 . . . . . . . . 4.16 rr_2ndm 1
11 1 . . . . . . . . 3.32 rr_2ndm 1
12 1 . . . . . . . . 3.82 rr_2ndm 1
13 1 . . . . . . . . 3.80 rr_2ndm 1
14 1 . . . . . . . . 3.80 rr_2ndm 1
15 1 . . . . . . . . 5.38 rr_2ndm 1
16 1 . . . . . . . . 5.38 rr_2ndm 1
17 2 . . . . . . . . 4.28 rr_2ndm 1
17 3 . . . . . . . . 4.28 rr_2ndm 1
18 1 . . . . . . . . 4.70 rr_2ndm 1
19 1 . . . . . . . . 4.70 rr_2ndm 1
20 1 . . . . . . . . 4.80 rr_2ndm 1
21 1 . . . . . . . . 5.29 rr_2ndm 1
22 2 . . . . . . . . 3.77 rr_2ndm 1
22 3 . . . . . . . . 3.77 rr_2ndm 1
23 2 . . . . . . . . 5.03 rr_2ndm 1
23 3 . . . . . . . . 5.03 rr_2ndm 1
24 1 . . . . . . . . 4.44 rr_2ndm 1
25 1 . . . . . . . . 4.44 rr_2ndm 1
26 1 . . . . . . . . 5.50 rr_2ndm 1
27 2 . . . . . . . . 5.50 rr_2ndm 1
27 3 . . . . . . . . 5.50 rr_2ndm 1
28 1 . . . . . . . . 3.46 rr_2ndm 1
29 1 . . . . . . . . 4.20 rr_2ndm 1
30 1 . . . . . . . . 4.20 rr_2ndm 1
31 2 . . . . . . . . 4.63 rr_2ndm 1
31 3 . . . . . . . . 4.63 rr_2ndm 1
32 1 . . . . . . . . 3.03 rr_2ndm 1
33 1 . . . . . . . . 3.77 rr_2ndm 1
34 1 . . . . . . . . 3.77 rr_2ndm 1
35 1 . . . . . . . . 3.75 rr_2ndm 1
36 1 . . . . . . . . 3.75 rr_2ndm 1
37 2 . . . . . . . . 4.98 rr_2ndm 1
37 3 . . . . . . . . 4.98 rr_2ndm 1
38 1 . . . . . . . . 3.50 rr_2ndm 1
39 1 . . . . . . . . 3.50 rr_2ndm 1
40 1 . . . . . . . . 5.20 rr_2ndm 1
41 1 . . . . . . . . 5.20 rr_2ndm 1
42 1 . . . . . . . . 3.46 rr_2ndm 1
43 1 . . . . . . . . 4.12 rr_2ndm 1
44 1 . . . . . . . . 4.12 rr_2ndm 1
45 1 . . . . . . . . 5.50 rr_2ndm 1
46 1 . . . . . . . . 5.50 rr_2ndm 1
47 1 . . . . . . . . 3.62 rr_2ndm 1
48 1 . . . . . . . . 4.41 rr_2ndm 1
49 1 . . . . . . . . 4.94 rr_2ndm 1
50 1 . . . . . . . . 5.23 rr_2ndm 1
51 1 . . . . . . . . 4.84 rr_2ndm 1
52 1 . . . . . . . . 5.39 rr_2ndm 1
53 1 . . . . . . . . 4.00 rr_2ndm 1
54 1 . . . . . . . . 4.95 rr_2ndm 1
55 1 . . . . . . . . 4.73 rr_2ndm 1
56 1 . . . . . . . . 4.75 rr_2ndm 1
57 1 . . . . . . . . 5.50 rr_2ndm 1
58 1 . . . . . . . . 2.82 rr_2ndm 1
59 1 . . . . . . . . 5.50 rr_2ndm 1
60 1 . . . . . . . . 3.64 rr_2ndm 1
61 2 . . . . . . . . 4.17 rr_2ndm 1
61 3 . . . . . . . . 4.17 rr_2ndm 1
62 1 . . . . . . . . 3.92 rr_2ndm 1
63 1 . . . . . . . . 4.82 rr_2ndm 1
64 2 . . . . . . . . 4.66 rr_2ndm 1
64 3 . . . . . . . . 4.66 rr_2ndm 1
65 2 . . . . . . . . 3.32 rr_2ndm 1
65 3 . . . . . . . . 3.32 rr_2ndm 1
66 2 . . . . . . . . 4.91 rr_2ndm 1
66 3 . . . . . . . . 4.91 rr_2ndm 1
67 2 . . . . . . . . 5.34 rr_2ndm 1
67 3 . . . . . . . . 5.34 rr_2ndm 1
68 2 . . . . . . . . 3.10 rr_2ndm 1
68 3 . . . . . . . . 3.10 rr_2ndm 1
69 2 . . . . . . . . 3.63 rr_2ndm 1
69 3 . . . . . . . . 3.63 rr_2ndm 1
69 4 . . . . . . . . 3.63 rr_2ndm 1
69 5 . . . . . . . . 3.63 rr_2ndm 1
70 2 . . . . . . . . 3.93 rr_2ndm 1
70 3 . . . . . . . . 3.93 rr_2ndm 1
70 4 . . . . . . . . 3.93 rr_2ndm 1
70 5 . . . . . . . . 3.93 rr_2ndm 1
71 2 . . . . . . . . 5.34 rr_2ndm 1
71 3 . . . . . . . . 5.34 rr_2ndm 1
72 2 . . . . . . . . 4.70 rr_2ndm 1
72 3 . . . . . . . . 4.70 rr_2ndm 1
73 2 . . . . . . . . 5.35 rr_2ndm 1
73 3 . . . . . . . . 5.35 rr_2ndm 1
74 2 . . . . . . . . 4.21 rr_2ndm 1
74 3 . . . . . . . . 4.21 rr_2ndm 1
75 2 . . . . . . . . 3.48 rr_2ndm 1
75 3 . . . . . . . . 3.48 rr_2ndm 1
76 2 . . . . . . . . 4.31 rr_2ndm 1
76 3 . . . . . . . . 4.31 rr_2ndm 1
77 2 . . . . . . . . 4.57 rr_2ndm 1
77 3 . . . . . . . . 4.57 rr_2ndm 1
78 2 . . . . . . . . 5.34 rr_2ndm 1
78 3 . . . . . . . . 5.34 rr_2ndm 1
79 2 . . . . . . . . 3.55 rr_2ndm 1
79 3 . . . . . . . . 3.55 rr_2ndm 1
80 2 . . . . . . . . 4.11 rr_2ndm 1
80 3 . . . . . . . . 4.11 rr_2ndm 1
81 2 . . . . . . . . 5.21 rr_2ndm 1
81 3 . . . . . . . . 5.21 rr_2ndm 1
82 2 . . . . . . . . 5.44 rr_2ndm 1
82 3 . . . . . . . . 5.44 rr_2ndm 1
83 2 . . . . . . . . 3.55 rr_2ndm 1
83 3 . . . . . . . . 3.55 rr_2ndm 1
84 2 . . . . . . . . 3.85 rr_2ndm 1
84 3 . . . . . . . . 3.85 rr_2ndm 1
85 2 . . . . . . . . 3.55 rr_2ndm 1
85 3 . . . . . . . . 3.55 rr_2ndm 1
86 2 . . . . . . . . 3.40 rr_2ndm 1
86 3 . . . . . . . . 3.40 rr_2ndm 1
87 2 . . . . . . . . 3.13 rr_2ndm 1
87 3 . . . . . . . . 3.13 rr_2ndm 1
88 2 . . . . . . . . 5.35 rr_2ndm 1
88 3 . . . . . . . . 5.35 rr_2ndm 1
89 2 . . . . . . . . 4.58 rr_2ndm 1
89 3 . . . . . . . . 4.58 rr_2ndm 1
90 2 . . . . . . . . 3.06 rr_2ndm 1
90 3 . . . . . . . . 3.06 rr_2ndm 1
91 2 . . . . . . . . 4.75 rr_2ndm 1
91 3 . . . . . . . . 4.75 rr_2ndm 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 9 #SUP 0.96 #QF 0.96" 1 49 1 74 rr_2ndm 1
2 "peak 10 #SUP 0.99 #QF 0.99" 2 49 2 75 rr_2ndm 1
3 "peak 11 #SUP 0.77 #QF 0.77" 3 49 3 75 rr_2ndm 1
4 "peak 12 #SUP 0.97 #QF 0.97" 4 49 4 75 rr_2ndm 1
5 "peak 13 #SUP 1.00" 5 49 5 66 rr_2ndm 1
6 "peak 15 #SUP 0.70 #QF 0.70" 6 49 6 75 rr_2ndm 1
7 "peak 17 #SUP 1.00" 7 49 7 66 rr_2ndm 1
8 "peak 18 #SUP 1.00" 8 49 8 66 rr_2ndm 1
9 "peak 25 #SUP 0.96 #QF 0.96" 9 49 9 75 rr_2ndm 1
10 "peak 29 #SUP 1.00" 10 49 10 66 rr_2ndm 1
11 "peak 30 #SUP 0.89 #QF 0.89" 11 49 11 75 rr_2ndm 1
12 "peak 31 #SUP 0.90 #QF 0.90" 12 49 12 75 rr_2ndm 1
13 "peak 33 #SUP 0.98 #QF 0.98" 13 49 13 75 rr_2ndm 1
14 "peak 34 #SUP 0.99 #QF 0.99" 14 49 14 75 rr_2ndm 1
15 "peak 35 #SUP 1.00" 15 49 15 66 rr_2ndm 1
16 "peak 36 #SUP 1.00" 16 49 16 66 rr_2ndm 1
17 "peak 39 #SUP 0.99 #QF 0.99" 17 49 17 75 rr_2ndm 1
18 "peak 42 #SUP 1.00" 18 49 18 66 rr_2ndm 1
19 "peak 43 #SUP 1.00" 19 49 19 66 rr_2ndm 1
20 "peak 45 #SUP 1.00" 20 49 20 66 rr_2ndm 1
21 "peak 46 #SUP 0.88 #QF 0.88" 21 49 21 75 rr_2ndm 1
22 "peak 50 #SUP 1.00" 22 49 22 66 rr_2ndm 1
23 "peak 51 #SUP 1.00" 23 49 23 66 rr_2ndm 1
24 "peak 52 #SUP 0.95 #QF 0.95" 24 49 24 75 rr_2ndm 1
25 "peak 53 #SUP 1.00" 25 49 25 66 rr_2ndm 1
26 "peak 56 #SUP 0.63 #QF 0.63" 26 49 26 75 rr_2ndm 1
27 "peak 59 #SUP 0.95 #QF 0.95" 27 49 27 75 rr_2ndm 1
28 "peak 60 #SUP 0.91 #QF 0.91" 28 49 28 75 rr_2ndm 1
29 "peak 62 #SUP 1.00" 29 49 29 66 rr_2ndm 1
30 "peak 63 #SUP 0.95 #QF 0.95" 30 49 30 75 rr_2ndm 1
31 "peak 64 #SUP 1.00" 31 49 31 66 rr_2ndm 1
32 "peak 65 #SUP 0.84 #QF 0.84" 32 49 32 75 rr_2ndm 1
33 "peak 66 #SUP 0.98 #QF 0.98" 33 49 33 75 rr_2ndm 1
34 "peak 67 #SUP 0.84 #QF 0.84" 34 49 34 75 rr_2ndm 1
35 "peak 70 #SUP 1.00" 35 49 35 66 rr_2ndm 1
36 "peak 71 #SUP 0.99 #QF 0.99" 36 49 36 75 rr_2ndm 1
37 "peak 74 #SUP 1.00 #QF 0.20" 37 49 37 75 rr_2ndm 1
38 "peak 85 #SUP 0.78 #QF 0.78" 38 49 38 75 rr_2ndm 1
39 "peak 86 #SUP 0.77 #QF 0.77" 39 49 39 75 rr_2ndm 1
40 "peak 89 #SUP 1.00 #QF 0.78" 40 49 40 75 rr_2ndm 1
41 "peak 95 #SUP 1.00 #QF 0.69" 41 49 41 75 rr_2ndm 1
42 "peak 111 #SUP 0.95 #QF 0.95" 42 49 42 76 rr_2ndm 1
43 "peak 113 #SUP 0.96 #QF 0.96" 43 49 43 76 rr_2ndm 1
44 "peak 114 #SUP 1.00" 44 49 44 67 rr_2ndm 1
45 "peak 116 #SUP 0.89 #QF 0.89" 45 49 45 76 rr_2ndm 1
46 "peak 118 #SUP 0.96 #QF 0.96" 46 49 46 76 rr_2ndm 1
47 "peak 120 #SUP 0.95 #QF 0.95" 47 49 47 76 rr_2ndm 1
48 "peak 121 #SUP 0.88 #QF 0.88" 48 49 48 76 rr_2ndm 1
49 "peak 122 #SUP 0.99 #QF 0.49" 49 49 49 76 rr_2ndm 1
50 "peak 122 #SUP 0.99 #QF 0.49" 50 49 50 76 rr_2ndm 1
51 "peak 123 #SUP 0.96 #QF 0.96" 51 49 51 76 rr_2ndm 1
52 "peak 124 #SUP 0.94 #QF 0.94" 52 49 52 76 rr_2ndm 1
53 "peak 125 #SUP 0.98 #QF 0.98" 53 49 53 76 rr_2ndm 1
54 "peak 127 #SUP 0.99 #QF 0.99" 54 49 54 76 rr_2ndm 1
55 "peak 131 #SUP 1.00" 55 49 55 67 rr_2ndm 1
56 "peak 135 #SUP 0.97 #QF 0.97" 56 49 56 76 rr_2ndm 1
57 "peak 163 #SUP 0.71 #QF 0.71" 57 49 57 76 rr_2ndm 1
58 "peak 167 #SUP 0.87 #QF 0.87" 58 49 58 76 rr_2ndm 1
59 "peak 168 #SUP 0.62 #QF 0.62" 59 49 59 76 rr_2ndm 1
60 "peak 175 #SUP 1.00" 60 49 60 67 rr_2ndm 1
61 "peak 186 #SUP 1.00" 61 49 61 67 rr_2ndm 1
62 "peak 209 #SUP 0.73 #QF 0.73" 62 49 62 76 rr_2ndm 1
63 "peak 210 #SUP 0.49 #QF 0.49" 63 49 63 76 rr_2ndm 1
64 "peak 3" 64 49 64 55 rr_2ndm 1
65 "peak 9" 65 49 65 55 rr_2ndm 1
66 "peak 138" 66 49 66 57 rr_2ndm 1
67 "peak 140" 67 49 67 57 rr_2ndm 1
68 "peak 70" 68 49 68 56 rr_2ndm 1
69 "peak 144" 69 49 69 57 rr_2ndm 1
70 "peak 77" 70 49 70 56 rr_2ndm 1
71 "peak 173" 71 49 71 57 rr_2ndm 1
72 "peak 157" 72 49 72 57 rr_2ndm 1
73 "peak 172" 73 49 73 57 rr_2ndm 1
74 "peak 17" 74 49 74 56 rr_2ndm 1
75 "peak 19" 75 49 75 56 rr_2ndm 1
76 "peak 24" 76 49 76 56 rr_2ndm 1
77 "peak 35" 77 49 77 56 rr_2ndm 1
78 "peak 57" 78 49 78 56 rr_2ndm 1
79 "peak 179" 79 49 79 57 rr_2ndm 1
80 "peak 43" 80 49 80 56 rr_2ndm 1
81 "peak 55" 81 49 81 56 rr_2ndm 1
82 "peak 44" 82 49 82 56 rr_2ndm 1
83 "peak 41" 83 49 83 56 rr_2ndm 1
84 "peak 52" 84 49 84 56 rr_2ndm 1
85 "peak 63" 85 49 85 56 rr_2ndm 1
86 "peak 68" 86 49 86 56 rr_2ndm 1
87 "peak 67" 87 49 87 56 rr_2ndm 1
88 "peak 108" 88 49 88 57 rr_2ndm 1
89 "peak 95" 89 49 89 56 rr_2ndm 1
90 "peak 86" 90 49 90 56 rr_2ndm 1
91 "peak 118" 91 49 91 57 rr_2ndm 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_2ndm
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2ndm 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2ndm 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 13 13 ASP H H . . . . 13 ASP H rr_2ndm 2
1 1 . 2 . 1 1 2 2 ARG O O . . . . 2 ARG O rr_2ndm 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 2.3 rr_2ndm 2
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "13 ASP N 2 ARG O 3.3 2 ARG H 2 ARG QB 3.26 #peak 8 #SUP 0.98 #QF 0.98" 3 1 3 100 rr_2ndm 2
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 3 1 1 "Not handling restraint 1, item 1, resonance(s) ' .13.O' (nmrStar names) not linked" rr_2ndm 2
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Entry_ID rr_2ndm
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_2ndm 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . 1 1 1 1 GLY C C . . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG C C . -90.8 -50.8 . . . A . 1 GLY C . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . rr_2ndm 1
2 PSI . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG C C . . 1 1 3 3 PRO N N . 117.3 158.8 . . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . A . 3 PRO N . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . rr_2ndm 1
3 PSI . 1 1 3 3 PRO N N . . 1 1 3 3 PRO CA C . . 1 1 3 3 PRO C C . . 1 1 4 4 CYS N N . 123.2 163.2 . . . A . 3 PRO N . . A . 3 PRO CA . . A . 3 PRO C . . A . 4 CYS N . . . 3 PRO . . . . . . 3 PRO . . . . . . 3 PRO . . . . . . 3 PRO . . . rr_2ndm 1
4 PHI . 1 1 3 3 PRO C C . . 1 1 4 4 CYS N N . . 1 1 4 4 CYS CA C . . 1 1 4 4 CYS C C . -119.6 -57.5 . . . A . 3 PRO C . . A . 4 CYS N . . A . 4 CYS CA . . A . 4 CYS C . . . 4 CYSS . . . . . . 4 CYSS . . . . . . 4 CYSS . . . . . . 4 CYSS . . . rr_2ndm 1
5 PSI . 1 1 4 4 CYS N N . . 1 1 4 4 CYS CA C . . 1 1 4 4 CYS C C . . 1 1 5 5 TYR N N . 94.3 162.8 . . . A . 4 CYS N . . A . 4 CYS CA . . A . 4 CYS C . . A . 5 TYR N . . . 4 CYSS . . . . . . 4 CYSS . . . . . . 4 CYSS . . . . . . 4 CYSS . . . rr_2ndm 1
6 PHI . 1 1 4 4 CYS C C . . 1 1 5 5 TYR N N . . 1 1 5 5 TYR CA C . . 1 1 5 5 TYR C C . -119.8 -38.1 . . . A . 4 CYS C . . A . 5 TYR N . . A . 5 TYR CA . . A . 5 TYR C . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . rr_2ndm 1
7 PSI . 1 1 5 5 TYR N N . . 1 1 5 5 TYR CA C . . 1 1 5 5 TYR C C . . 1 1 6 6 THR N N . 107.7 176.0 . . . A . 5 TYR N . . A . 5 TYR CA . . A . 5 TYR C . . A . 6 THR N . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . rr_2ndm 1
8 PHI . 1 1 5 5 TYR C C . . 1 1 6 6 THR N N . . 1 1 6 6 THR CA C . . 1 1 6 6 THR C C . -176.3 -42.9 . . . A . 5 TYR C . . A . 6 THR N . . A . 6 THR CA . . A . 6 THR C . . . 6 THR . . . . . . 6 THR . . . . . . 6 THR . . . . . . 6 THR . . . rr_2ndm 1
9 PSI . 1 1 6 6 THR N N . . 1 1 6 6 THR CA C . . 1 1 6 6 THR C C . . 1 1 7 7 LEU N N . 138.5 196.6 . . . A . 6 THR N . . A . 6 THR CA . . A . 6 THR C . . A . 7 LEU N . . . 6 THR . . . . . . 6 THR . . . . . . 6 THR . . . . . . 6 THR . . . rr_2ndm 1
10 PHI . 1 1 6 6 THR C C . . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU C C . -84.8 -44.8 . . . A . 6 THR C . . A . 7 LEU N . . A . 7 LEU CA . . A . 7 LEU C . . . 7 LEU . . . . . . 7 LEU . . . . . . 7 LEU . . . . . . 7 LEU . . . rr_2ndm 1
11 PSI . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU C C . . 1 1 8 8 GLN N N . -42.2 -2.2 . . . A . 7 LEU N . . A . 7 LEU CA . . A . 7 LEU C . . A . 8 GLN N . . . 7 LEU . . . . . . 7 LEU . . . . . . 7 LEU . . . . . . 7 LEU . . . rr_2ndm 1
12 PHI . 1 1 7 7 LEU C C . . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . -108.5 -68.5 . . . A . 7 LEU C . . A . 8 GLN N . . A . 8 GLN CA . . A . 8 GLN C . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . rr_2ndm 1
13 PSI . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . . 1 1 9 9 SER N N . -23.8 16.2 . . . A . 8 GLN N . . A . 8 GLN CA . . A . 8 GLN C . . A . 9 SER N . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . rr_2ndm 1
14 PHI . 1 1 9 9 SER C C . . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . -111.9 -61.3 . . . A . 9 SER C . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . rr_2ndm 1
15 PSI . 1 1 10 10 CYS N N . . 1 1 10 10 CYS CA C . . 1 1 10 10 CYS C C . . 1 1 11 11 PHE N N . 91.8 151.8 . . . A . 10 CYS N . . A . 10 CYS CA . . A . 10 CYS C . . A . 11 PHE N . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . . . . 10 CYSS . . . rr_2ndm 1
16 PHI . 1 1 10 10 CYS C C . . 1 1 11 11 PHE N N . . 1 1 11 11 PHE CA C . . 1 1 11 11 PHE C C . -91.8 -51.8 . . . A . 10 CYS C . . A . 11 PHE N . . A . 11 PHE CA . . A . 11 PHE C . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . rr_2ndm 1
17 PSI . 1 1 11 11 PHE N N . . 1 1 11 11 PHE CA C . . 1 1 11 11 PHE C C . . 1 1 12 12 PRO N N . 114.5 154.5 . . . A . 11 PHE N . . A . 11 PHE CA . . A . 11 PHE C . . A . 12 PRO N . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . rr_2ndm 1
18 PSI . 1 1 12 12 PRO N N . . 1 1 12 12 PRO CA C . . 1 1 12 12 PRO C C . . 1 1 13 13 ASP N N . 123.6 165.7 . . . A . 12 PRO N . . A . 12 PRO CA . . A . 12 PRO C . . A . 13 ASP N . . . 12 PRO . . . . . . 12 PRO . . . . . . 12 PRO . . . . . . 12 PRO . . . rr_2ndm 1
19 CHI1 . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG CB C . . 1 1 2 2 ARG CG C . -90.0 -30.0 . . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG CB . . A . 2 ARG CG . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . rr_2ndm 1
20 CHI1 . 1 1 5 5 TYR N N . . 1 1 5 5 TYR CA C . . 1 1 5 5 TYR CB C . . 1 1 5 5 TYR CG C . -90.0 -30.0 . . . A . 5 TYR N . . A . 5 TYR CA . . A . 5 TYR CB . . A . 5 TYR CG . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . rr_2ndm 1
21 CHI1 . 1 1 6 6 THR N N . . 1 1 6 6 THR CA C . . 1 1 6 6 THR CB C . . 1 1 6 6 THR OG1 O . 30.0 90.0 . . . A . 6 THR N . . A . 6 THR CA . . A . 6 THR CB . . A . 6 THR OG1 . . . 6 THR . . . . . . 6 THR . . . . . . 6 THR . . . . . . 6 THR . . . rr_2ndm 1
22 CHI1 . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN CB C . . 1 1 8 8 GLN CG C . -90.0 -30.0 . . . A . 8 GLN N . . A . 8 GLN CA . . A . 8 GLN CB . . A . 8 GLN CG . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . rr_2ndm 1
23 CHI1 . 1 1 11 11 PHE N N . . 1 1 11 11 PHE CA C . . 1 1 11 11 PHE CB C . . 1 1 11 11 PHE CG C . -90.0 -30.0 . . . A . 11 PHE N . . A . 11 PHE CA . . A . 11 PHE CB . . A . 11 PHE CG . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . rr_2ndm 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "2 R -70.801 138.034 5.849 10.372 0.447 0.606 25 12 Strong" 1 1 1 72 rr_2ndm 1
2 "3 P -63.977 143.217 5.858 6.581 0.404 0.702 25 13 Strong" 5 1 5 72 rr_2ndm 1
3 "3 PRO PHI -84.0 -44.0" 6 4 6 34 rr_2ndm 1
4 "4 c -88.523 128.580 15.514 17.133 0.359 0.796 25 13 Strong" 9 1 9 72 rr_2ndm 1
5 "5 Y -78.938 141.845 13.626 11.370 0.398 0.725 10 15 Generous" 13 1 13 74 rr_2ndm 1
6 "6 T -109.621 167.550 33.361 14.522 0.370 0.684 25 15 Strong" 17 1 17 72 rr_2ndm 1
7 "7 L -64.774 -22.168 6.760 6.086 0.336 0.632 25 15 Strong" 21 1 21 72 rr_2ndm 1
8 "8 Q -88.454 -3.815 8.011 6.886 0.337 0.676 25 15 Strong" 25 1 25 72 rr_2ndm 1
9 "10 c -86.593 121.780 12.654 15.004 0.446 0.799 25 15 Strong" 29 1 29 72 rr_2ndm 1
10 "11 F -71.755 134.461 9.963 8.715 0.649 0.791 25 13 Strong" 33 1 33 72 rr_2ndm 1
11 "12 P -65.137 144.626 7.455 10.516 0.817 0.759 25 13 Strong" 37 1 37 72 rr_2ndm 1
12 "12 PRO PHI -85.1 -45.1" 38 3 38 34 rr_2ndm 1
13 "CHI1 From Talos in agreement with original structure" 41 1 41 53 rr_2ndm 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "ARG H 13 ASP O 2.3" 46 37 46 59 rr_2ndm 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_2ndm
_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 PLANT PROTEIN 17-JUL-16 2NDM *TITLE NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 21 (PDP-21) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PAWS DERIVED PEPTIDE 21; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: ZINNIA HAAGEANA; *SOURCE 4 ORGANISM_TAXID: 1525732; *SOURCE 5 OTHER_DETAILS: ASSEMBLED BY FMOC SOLID PHASE PEPTIDE SYNTHESIS AND *SOURCE 6 CYCLISED BY NATIVE CHEMICAL LIGATION. *KEYWDS PDP, PLANT PEPTIDE, CYCLIC PEPTIDE, PLANT PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR B.FRANKE, A.S.JAYASENA, M.F.FISHER, J.E.SWEDBERG, N.L.TAYLOR, *AUTHOR 2 J.S.MYLNE, K.ROSENGREN *REVDAT 1 24-AUG-16 2NDM 0"
save_
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