NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
595302 |
2n28   |
25591 | cing | 4-filtered-FRED | STAR | entry | full | 147 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n28
# This FRED archive file contains, for PDB entry <2n28>:
#
# - 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 and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# 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_2n28
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2n28"
_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 2n28"
_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 2n28 "Master copy" rr_2n28
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2n28
_Assembly.ID 1
_Assembly.Name 2n28
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 9133.6236
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 "Protein Vpu" 1 $Protein_Vpu A . no . . . . . . rr_2n28 1
stop_
save_
save_Protein_Vpu
_Entity.Sf_category entity
_Entity.Sf_framecode Protein_Vpu
_Entity.Entry_ID rr_2n28
_Entity.ID 1
_Entity.Name Protein_Vpu
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;MQPIQIAIVALVVAIIIAIV
VWSIVIIEYRKILRQRKIDR
LIDRLIERAEDSGNESEGEI
SALVELGVELGHHAPWDVDD
L
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 81
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 9133.6236
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 . MET . rr_2n28 1
2 . GLN . rr_2n28 1
3 . PRO . rr_2n28 1
4 . ILE . rr_2n28 1
5 . GLN . rr_2n28 1
6 . ILE . rr_2n28 1
7 . ALA . rr_2n28 1
8 . ILE . rr_2n28 1
9 . VAL . rr_2n28 1
10 . ALA . rr_2n28 1
11 . LEU . rr_2n28 1
12 . VAL . rr_2n28 1
13 . VAL . rr_2n28 1
14 . ALA . rr_2n28 1
15 . ILE . rr_2n28 1
16 . ILE . rr_2n28 1
17 . ILE . rr_2n28 1
18 . ALA . rr_2n28 1
19 . ILE . rr_2n28 1
20 . VAL . rr_2n28 1
21 . VAL . rr_2n28 1
22 . TRP . rr_2n28 1
23 . SER . rr_2n28 1
24 . ILE . rr_2n28 1
25 . VAL . rr_2n28 1
26 . ILE . rr_2n28 1
27 . ILE . rr_2n28 1
28 . GLU . rr_2n28 1
29 . TYR . rr_2n28 1
30 . ARG . rr_2n28 1
31 . LYS . rr_2n28 1
32 . ILE . rr_2n28 1
33 . LEU . rr_2n28 1
34 . ARG . rr_2n28 1
35 . GLN . rr_2n28 1
36 . ARG . rr_2n28 1
37 . LYS . rr_2n28 1
38 . ILE . rr_2n28 1
39 . ASP . rr_2n28 1
40 . ARG . rr_2n28 1
41 . LEU . rr_2n28 1
42 . ILE . rr_2n28 1
43 . ASP . rr_2n28 1
44 . ARG . rr_2n28 1
45 . LEU . rr_2n28 1
46 . ILE . rr_2n28 1
47 . GLU . rr_2n28 1
48 . ARG . rr_2n28 1
49 . ALA . rr_2n28 1
50 . GLU . rr_2n28 1
51 . ASP . rr_2n28 1
52 . SER . rr_2n28 1
53 . GLY . rr_2n28 1
54 . ASN . rr_2n28 1
55 . GLU . rr_2n28 1
56 . SER . rr_2n28 1
57 . GLU . rr_2n28 1
58 . GLY . rr_2n28 1
59 . GLU . rr_2n28 1
60 . ILE . rr_2n28 1
61 . SER . rr_2n28 1
62 . ALA . rr_2n28 1
63 . LEU . rr_2n28 1
64 . VAL . rr_2n28 1
65 . GLU . rr_2n28 1
66 . LEU . rr_2n28 1
67 . GLY . rr_2n28 1
68 . VAL . rr_2n28 1
69 . GLU . rr_2n28 1
70 . LEU . rr_2n28 1
71 . GLY . rr_2n28 1
72 . HIS . rr_2n28 1
73 . HIS . rr_2n28 1
74 . ALA . rr_2n28 1
75 . PRO . rr_2n28 1
76 . TRP . rr_2n28 1
77 . ASP . rr_2n28 1
78 . VAL . rr_2n28 1
79 . ASP . rr_2n28 1
80 . ASP . rr_2n28 1
81 . LEU . rr_2n28 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
. MET 1 1 rr_2n28 1
. GLN 2 2 rr_2n28 1
. PRO 3 3 rr_2n28 1
. ILE 4 4 rr_2n28 1
. GLN 5 5 rr_2n28 1
. ILE 6 6 rr_2n28 1
. ALA 7 7 rr_2n28 1
. ILE 8 8 rr_2n28 1
. VAL 9 9 rr_2n28 1
. ALA 10 10 rr_2n28 1
. LEU 11 11 rr_2n28 1
. VAL 12 12 rr_2n28 1
. VAL 13 13 rr_2n28 1
. ALA 14 14 rr_2n28 1
. ILE 15 15 rr_2n28 1
. ILE 16 16 rr_2n28 1
. ILE 17 17 rr_2n28 1
. ALA 18 18 rr_2n28 1
. ILE 19 19 rr_2n28 1
. VAL 20 20 rr_2n28 1
. VAL 21 21 rr_2n28 1
. TRP 22 22 rr_2n28 1
. SER 23 23 rr_2n28 1
. ILE 24 24 rr_2n28 1
. VAL 25 25 rr_2n28 1
. ILE 26 26 rr_2n28 1
. ILE 27 27 rr_2n28 1
. GLU 28 28 rr_2n28 1
. TYR 29 29 rr_2n28 1
. ARG 30 30 rr_2n28 1
. LYS 31 31 rr_2n28 1
. ILE 32 32 rr_2n28 1
. LEU 33 33 rr_2n28 1
. ARG 34 34 rr_2n28 1
. GLN 35 35 rr_2n28 1
. ARG 36 36 rr_2n28 1
. LYS 37 37 rr_2n28 1
. ILE 38 38 rr_2n28 1
. ASP 39 39 rr_2n28 1
. ARG 40 40 rr_2n28 1
. LEU 41 41 rr_2n28 1
. ILE 42 42 rr_2n28 1
. ASP 43 43 rr_2n28 1
. ARG 44 44 rr_2n28 1
. LEU 45 45 rr_2n28 1
. ILE 46 46 rr_2n28 1
. GLU 47 47 rr_2n28 1
. ARG 48 48 rr_2n28 1
. ALA 49 49 rr_2n28 1
. GLU 50 50 rr_2n28 1
. ASP 51 51 rr_2n28 1
. SER 52 52 rr_2n28 1
. GLY 53 53 rr_2n28 1
. ASN 54 54 rr_2n28 1
. GLU 55 55 rr_2n28 1
. SER 56 56 rr_2n28 1
. GLU 57 57 rr_2n28 1
. GLY 58 58 rr_2n28 1
. GLU 59 59 rr_2n28 1
. ILE 60 60 rr_2n28 1
. SER 61 61 rr_2n28 1
. ALA 62 62 rr_2n28 1
. LEU 63 63 rr_2n28 1
. VAL 64 64 rr_2n28 1
. GLU 65 65 rr_2n28 1
. LEU 66 66 rr_2n28 1
. GLY 67 67 rr_2n28 1
. VAL 68 68 rr_2n28 1
. GLU 69 69 rr_2n28 1
. LEU 70 70 rr_2n28 1
. GLY 71 71 rr_2n28 1
. HIS 72 72 rr_2n28 1
. HIS 73 73 rr_2n28 1
. ALA 74 74 rr_2n28 1
. PRO 75 75 rr_2n28 1
. TRP 76 76 rr_2n28 1
. ASP 77 77 rr_2n28 1
. VAL 78 78 rr_2n28 1
. ASP 79 79 rr_2n28 1
. ASP 80 80 rr_2n28 1
. LEU 81 81 rr_2n28 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_2n28
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
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_2n28
_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_2n28 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_2n28 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 MET C C 30.996 19.913 12.928 . . . 1.0 . . . . . . . . . . . . A . 1 MET C . . . . . . . . . rr_2n28 1
. 1 . 2 . 1 1 1 MET CA C 31.706 21.083 13.599 . . . 1.0 . . . . . . . . . . . . A . 1 MET CA . . . . . . . . . rr_2n28 1
. 1 . 3 . 1 1 1 MET CB C 32.937 21.486 12.781 . . . 1.0 . . . . . . . . . . . . A . 1 MET CB . . . . . . . . . rr_2n28 1
. 1 . 4 . 1 1 1 MET CE C 34.206 24.528 15.246 . . . 1.0 . . . . . . . . . . . . A . 1 MET CE . . . . . . . . . rr_2n28 1
. 1 . 5 . 1 1 1 MET CG C 33.849 22.379 13.626 . . . 1.0 . . . . . . . . . . . . A . 1 MET CG . . . . . . . . . rr_2n28 1
. 1 . 6 . 1 1 1 MET H1 H 32.243 21.532 15.561 . . . 1.0 . . . . . . . . . . . . A . 1 MET H1 . . . . . . . . . rr_2n28 1
. 1 . 7 . 1 1 1 MET H2 H 33.036 20.173 14.918 . . . 1.0 . . . . . . . . . . . . A . 1 MET H2 . . . . . . . . . rr_2n28 1
. 1 . 8 . 1 1 1 MET H3 H 31.407 20.065 15.391 . . . 1.0 . . . . . . . . . . . . A . 1 MET H3 . . . . . . . . . rr_2n28 1
. 1 . 9 . 1 1 1 MET HA H 31.029 21.922 13.664 . . . 1.0 . . . . . . . . . . . . A . 1 MET HA . . . . . . . . . rr_2n28 1
. 1 . 10 . 1 1 1 MET HB2 H 33.477 20.599 12.483 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB2 . . . . . . . . . rr_2n28 1
. 1 . 11 . 1 1 1 MET HB3 H 32.622 22.028 11.902 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB3 . . . . . . . . . rr_2n28 1
. 1 . 12 . 1 1 1 MET HE1 H 34.423 23.812 16.026 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE1 . . . . . . . . . rr_2n28 1
. 1 . 13 . 1 1 1 MET HE2 H 33.848 25.443 15.690 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE2 . . . . . . . . . rr_2n28 1
. 1 . 14 . 1 1 1 MET HE3 H 35.102 24.733 14.677 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE3 . . . . . . . . . rr_2n28 1
. 1 . 15 . 1 1 1 MET HG2 H 34.182 21.834 14.498 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG2 . . . . . . . . . rr_2n28 1
. 1 . 16 . 1 1 1 MET HG3 H 34.706 22.674 13.039 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG3 . . . . . . . . . rr_2n28 1
. 1 . 17 . 1 1 1 MET N N 32.130 20.683 14.971 . . . 1.0 . . . . . . . . . . . . A . 1 MET N . . . . . . . . . rr_2n28 1
. 1 . 18 . 1 1 1 MET O O 30.812 19.900 11.711 . . . 1.0 . . . . . . . . . . . . A . 1 MET O . . . . . . . . . rr_2n28 1
. 1 . 19 . 1 1 1 MET SD S 32.938 23.853 14.146 . . . 1.0 . . . . . . . . . . . . A . 1 MET SD . . . . . . . . . rr_2n28 1
. 1 . 20 . 1 1 2 GLN C C 28.494 18.141 12.752 . . . 1.0 . . . . . . . . . . . . A . 2 GLN C . . . . . . . . . rr_2n28 1
. 1 . 21 . 1 1 2 GLN CA C 29.908 17.759 13.203 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CA . . . . . . . . . rr_2n28 1
. 1 . 22 . 1 1 2 GLN CB C 29.825 16.680 14.291 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CB . . . . . . . . . rr_2n28 1
. 1 . 23 . 1 1 2 GLN CD C 31.876 15.510 13.424 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CD . . . . . . . . . rr_2n28 1
. 1 . 24 . 1 1 2 GLN CG C 31.229 16.170 14.639 . . . 1.0 . . . . . . . . . . . . A . 2 GLN CG . . . . . . . . . rr_2n28 1
. 1 . 25 . 1 1 2 GLN H H 30.771 18.994 14.693 . . . 1.0 . . . . . . . . . . . . A . 2 GLN H . . . . . . . . . rr_2n28 1
. 1 . 26 . 1 1 2 GLN HA H 30.465 17.379 12.364 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HA . . . . . . . . . rr_2n28 1
. 1 . 27 . 1 1 2 GLN HB2 H 29.370 17.101 15.176 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB2 . . . . . . . . . rr_2n28 1
. 1 . 28 . 1 1 2 GLN HB3 H 29.224 15.857 13.939 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HB3 . . . . . . . . . rr_2n28 1
. 1 . 29 . 1 1 2 GLN HE21 H 33.508 16.639 13.498 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE21 . . . . . . . . . rr_2n28 1
. 1 . 30 . 1 1 2 GLN HE22 H 33.472 15.497 12.243 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HE22 . . . . . . . . . rr_2n28 1
. 1 . 31 . 1 1 2 GLN HG2 H 31.840 17.001 14.961 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG2 . . . . . . . . . rr_2n28 1
. 1 . 32 . 1 1 2 GLN HG3 H 31.158 15.449 15.441 . . . 1.0 . . . . . . . . . . . . A . 2 GLN HG3 . . . . . . . . . rr_2n28 1
. 1 . 33 . 1 1 2 GLN N N 30.598 18.930 13.730 . . . 1.0 . . . . . . . . . . . . A . 2 GLN N . . . . . . . . . rr_2n28 1
. 1 . 34 . 1 1 2 GLN NE2 N 33.049 15.916 13.022 . . . 1.0 . . . . . . . . . . . . A . 2 GLN NE2 . . . . . . . . . rr_2n28 1
. 1 . 35 . 1 1 2 GLN O O 27.887 19.047 13.321 . . . 1.0 . . . . . . . . . . . . A . 2 GLN O . . . . . . . . . rr_2n28 1
. 1 . 36 . 1 1 2 GLN OE1 O 31.298 14.602 12.828 . . . 1.0 . . . . . . . . . . . . A . 2 GLN OE1 . . . . . . . . . rr_2n28 1
. 1 . 37 . 1 1 3 PRO C C 25.502 17.353 12.234 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . rr_2n28 1
. 1 . 38 . 1 1 3 PRO CA C 26.583 17.785 11.243 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . rr_2n28 1
. 1 . 39 . 1 1 3 PRO CB C 26.502 16.985 9.934 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . rr_2n28 1
. 1 . 40 . 1 1 3 PRO CD C 28.582 16.381 10.989 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . rr_2n28 1
. 1 . 41 . 1 1 3 PRO CG C 27.433 15.836 10.139 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . rr_2n28 1
. 1 . 42 . 1 1 3 PRO HA H 26.489 18.837 11.030 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . rr_2n28 1
. 1 . 43 . 1 1 3 PRO HB2 H 25.491 16.633 9.763 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . rr_2n28 1
. 1 . 44 . 1 1 3 PRO HB3 H 26.835 17.588 9.103 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . rr_2n28 1
. 1 . 45 . 1 1 3 PRO HD2 H 28.956 15.615 11.653 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . rr_2n28 1
. 1 . 46 . 1 1 3 PRO HD3 H 29.373 16.764 10.364 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . rr_2n28 1
. 1 . 47 . 1 1 3 PRO HG2 H 26.925 15.033 10.659 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . rr_2n28 1
. 1 . 48 . 1 1 3 PRO HG3 H 27.814 15.485 9.191 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . rr_2n28 1
. 1 . 49 . 1 1 3 PRO N N 27.956 17.482 11.750 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . rr_2n28 1
. 1 . 50 . 1 1 3 PRO O O 25.698 16.420 13.014 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . rr_2n28 1
. 1 . 51 . 1 1 4 ILE C C 21.917 17.898 12.373 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . rr_2n28 1
. 1 . 52 . 1 1 4 ILE CA C 23.249 17.729 13.095 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 53 . 1 1 4 ILE CB C 23.290 18.654 14.313 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 54 . 1 1 4 ILE CD1 C 22.445 18.939 16.648 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 55 . 1 1 4 ILE CG1 C 22.216 18.224 15.316 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 56 . 1 1 4 ILE CG2 C 23.027 20.094 13.871 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 57 . 1 1 4 ILE H H 24.267 18.774 11.554 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . rr_2n28 1
. 1 . 58 . 1 1 4 ILE HA H 23.335 16.706 13.431 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 59 . 1 1 4 ILE HB H 24.264 18.592 14.778 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 60 . 1 1 4 ILE HD11 H 22.283 19.999 16.521 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 61 . 1 1 4 ILE HD12 H 23.459 18.768 16.979 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 62 . 1 1 4 ILE HD13 H 21.756 18.555 17.387 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 63 . 1 1 4 ILE HG12 H 21.240 18.485 14.930 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 64 . 1 1 4 ILE HG13 H 22.269 17.157 15.468 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 65 . 1 1 4 ILE HG21 H 21.982 20.210 13.625 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 66 . 1 1 4 ILE HG22 H 23.628 20.320 13.003 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 67 . 1 1 4 ILE HG23 H 23.286 20.769 14.674 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 68 . 1 1 4 ILE N N 24.362 18.040 12.196 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . rr_2n28 1
. 1 . 69 . 1 1 4 ILE O O 21.763 18.779 11.528 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . rr_2n28 1
. 1 . 70 . 1 1 5 GLN C C 18.564 16.617 13.077 . . . 1.0 . . . . . . . . . . . . A . 5 GLN C . . . . . . . . . rr_2n28 1
. 1 . 71 . 1 1 5 GLN CA C 19.628 17.102 12.098 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CA . . . . . . . . . rr_2n28 1
. 1 . 72 . 1 1 5 GLN CB C 19.604 16.236 10.835 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CB . . . . . . . . . rr_2n28 1
. 1 . 73 . 1 1 5 GLN CD C 19.991 13.934 9.935 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CD . . . . . . . . . rr_2n28 1
. 1 . 74 . 1 1 5 GLN CG C 19.908 14.781 11.201 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CG . . . . . . . . . rr_2n28 1
. 1 . 75 . 1 1 5 GLN H H 21.135 16.366 13.396 . . . 1.0 . . . . . . . . . . . . A . 5 GLN H . . . . . . . . . rr_2n28 1
. 1 . 76 . 1 1 5 GLN HA H 19.407 18.124 11.823 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HA . . . . . . . . . rr_2n28 1
. 1 . 77 . 1 1 5 GLN HB2 H 18.628 16.296 10.377 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HB2 . . . . . . . . . rr_2n28 1
. 1 . 78 . 1 1 5 GLN HB3 H 20.349 16.594 10.139 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HB3 . . . . . . . . . rr_2n28 1
. 1 . 79 . 1 1 5 GLN HE21 H 21.852 13.337 10.280 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HE21 . . . . . . . . . rr_2n28 1
. 1 . 80 . 1 1 5 GLN HE22 H 21.149 12.734 8.858 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HE22 . . . . . . . . . rr_2n28 1
. 1 . 81 . 1 1 5 GLN HG2 H 20.850 14.733 11.726 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HG2 . . . . . . . . . rr_2n28 1
. 1 . 82 . 1 1 5 GLN HG3 H 19.123 14.398 11.834 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HG3 . . . . . . . . . rr_2n28 1
. 1 . 83 . 1 1 5 GLN N N 20.953 17.046 12.715 . . . 1.0 . . . . . . . . . . . . A . 5 GLN N . . . . . . . . . rr_2n28 1
. 1 . 84 . 1 1 5 GLN NE2 N 21.089 13.281 9.669 . . . 1.0 . . . . . . . . . . . . A . 5 GLN NE2 . . . . . . . . . rr_2n28 1
. 1 . 85 . 1 1 5 GLN O O 18.866 15.897 14.029 . . . 1.0 . . . . . . . . . . . . A . 5 GLN O . . . . . . . . . rr_2n28 1
. 1 . 86 . 1 1 5 GLN OE1 O 19.030 13.867 9.169 . . . 1.0 . . . . . . . . . . . . A . 5 GLN OE1 . . . . . . . . . rr_2n28 1
. 1 . 87 . 1 1 6 ILE C C 16.060 15.105 13.714 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_2n28 1
. 1 . 88 . 1 1 6 ILE CA C 16.221 16.624 13.711 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 89 . 1 1 6 ILE CB C 14.921 17.286 13.238 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 90 . 1 1 6 ILE CD1 C 13.853 19.494 12.755 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 91 . 1 1 6 ILE CG1 C 15.010 18.796 13.471 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 92 . 1 1 6 ILE CG2 C 13.734 16.723 14.028 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 93 . 1 1 6 ILE H H 17.140 17.596 12.067 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_2n28 1
. 1 . 94 . 1 1 6 ILE HA H 16.435 16.956 14.716 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 95 . 1 1 6 ILE HB H 14.779 17.090 12.186 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 96 . 1 1 6 ILE HD11 H 12.915 19.167 13.182 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 97 . 1 1 6 ILE HD12 H 13.876 19.244 11.704 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 98 . 1 1 6 ILE HD13 H 13.948 20.564 12.872 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 99 . 1 1 6 ILE HG12 H 14.954 19.001 14.530 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 100 . 1 1 6 ILE HG13 H 15.947 19.166 13.082 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 101 . 1 1 6 ILE HG21 H 13.978 16.704 15.079 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 102 . 1 1 6 ILE HG22 H 13.520 15.721 13.690 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 103 . 1 1 6 ILE HG23 H 12.868 17.349 13.870 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 104 . 1 1 6 ILE N N 17.320 17.020 12.838 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_2n28 1
. 1 . 105 . 1 1 6 ILE O O 15.914 14.491 14.770 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_2n28 1
. 1 . 106 . 1 1 7 ALA C C 16.552 12.556 11.105 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . rr_2n28 1
. 1 . 107 . 1 1 7 ALA CA C 15.941 13.058 12.409 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . rr_2n28 1
. 1 . 108 . 1 1 7 ALA CB C 14.460 12.678 12.458 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . rr_2n28 1
. 1 . 109 . 1 1 7 ALA H H 16.205 15.046 11.717 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . rr_2n28 1
. 1 . 110 . 1 1 7 ALA HA H 16.448 12.584 13.237 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . rr_2n28 1
. 1 . 111 . 1 1 7 ALA HB1 H 13.994 13.156 13.307 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . rr_2n28 1
. 1 . 112 . 1 1 7 ALA HB2 H 14.366 11.607 12.551 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . rr_2n28 1
. 1 . 113 . 1 1 7 ALA HB3 H 13.975 13.005 11.550 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . rr_2n28 1
. 1 . 114 . 1 1 7 ALA N N 16.086 14.506 12.527 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . rr_2n28 1
. 1 . 115 . 1 1 7 ALA O O 16.654 13.298 10.128 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . rr_2n28 1
. 1 . 116 . 1 1 8 ILE C C 16.479 9.969 9.081 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . rr_2n28 1
. 1 . 117 . 1 1 8 ILE CA C 17.549 10.675 9.909 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 118 . 1 1 8 ILE CB C 18.634 9.675 10.327 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 119 . 1 1 8 ILE CD1 C 19.078 7.513 11.500 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 120 . 1 1 8 ILE CG1 C 18.035 8.602 11.245 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 121 . 1 1 8 ILE CG2 C 19.746 10.415 11.073 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 122 . 1 1 8 ILE H H 16.839 10.744 11.906 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . rr_2n28 1
. 1 . 123 . 1 1 8 ILE HA H 18.005 11.445 9.303 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 124 . 1 1 8 ILE HB H 19.046 9.206 9.445 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 125 . 1 1 8 ILE HD11 H 19.398 7.094 10.557 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 126 . 1 1 8 ILE HD12 H 18.644 6.734 12.110 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 127 . 1 1 8 ILE HD13 H 19.928 7.940 12.011 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 128 . 1 1 8 ILE HG12 H 17.748 9.053 12.184 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 129 . 1 1 8 ILE HG13 H 17.169 8.162 10.778 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 130 . 1 1 8 ILE HG21 H 19.349 10.833 11.986 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 131 . 1 1 8 ILE HG22 H 20.130 11.209 10.450 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 132 . 1 1 8 ILE HG23 H 20.542 9.724 11.308 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 133 . 1 1 8 ILE N N 16.952 11.285 11.097 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . rr_2n28 1
. 1 . 134 . 1 1 8 ILE O O 16.776 9.345 8.063 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . rr_2n28 1
. 1 . 135 . 1 1 9 VAL C C 13.967 9.965 7.434 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . rr_2n28 1
. 1 . 136 . 1 1 9 VAL CA C 14.119 9.423 8.854 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . rr_2n28 1
. 1 . 137 . 1 1 9 VAL CB C 12.827 9.666 9.644 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . rr_2n28 1
. 1 . 138 . 1 1 9 VAL CG1 C 11.618 9.185 8.835 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . rr_2n28 1
. 1 . 139 . 1 1 9 VAL CG2 C 12.890 8.899 10.966 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . rr_2n28 1
. 1 . 140 . 1 1 9 VAL H H 15.063 10.558 10.367 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . rr_2n28 1
. 1 . 141 . 1 1 9 VAL HA H 14.299 8.360 8.810 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . rr_2n28 1
. 1 . 142 . 1 1 9 VAL HB H 12.725 10.722 9.846 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . rr_2n28 1
. 1 . 143 . 1 1 9 VAL HG11 H 11.826 8.208 8.425 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . rr_2n28 1
. 1 . 144 . 1 1 9 VAL HG12 H 11.423 9.880 8.031 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . rr_2n28 1
. 1 . 145 . 1 1 9 VAL HG13 H 10.753 9.128 9.479 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . rr_2n28 1
. 1 . 146 . 1 1 9 VAL HG21 H 13.841 9.082 11.445 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . rr_2n28 1
. 1 . 147 . 1 1 9 VAL HG22 H 12.781 7.841 10.774 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . rr_2n28 1
. 1 . 148 . 1 1 9 VAL HG23 H 12.092 9.231 11.614 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . rr_2n28 1
. 1 . 149 . 1 1 9 VAL N N 15.236 10.062 9.539 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . rr_2n28 1
. 1 . 150 . 1 1 9 VAL O O 13.698 9.208 6.501 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . rr_2n28 1
. 1 . 151 . 1 1 10 ALA C C 14.982 11.307 4.986 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2n28 1
. 1 . 152 . 1 1 10 ALA CA C 13.966 11.892 5.964 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2n28 1
. 1 . 153 . 1 1 10 ALA CB C 14.165 13.405 6.067 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2n28 1
. 1 . 154 . 1 1 10 ALA H H 14.314 11.838 8.056 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2n28 1
. 1 . 155 . 1 1 10 ALA HA H 12.959 11.694 5.628 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2n28 1
. 1 . 156 . 1 1 10 ALA HB1 H 14.272 13.822 5.077 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2n28 1
. 1 . 157 . 1 1 10 ALA HB2 H 15.055 13.613 6.643 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2n28 1
. 1 . 158 . 1 1 10 ALA HB3 H 13.309 13.848 6.554 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2n28 1
. 1 . 159 . 1 1 10 ALA N N 14.116 11.276 7.277 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2n28 1
. 1 . 160 . 1 1 10 ALA O O 14.680 11.071 3.817 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2n28 1
. 1 . 161 . 1 1 11 LEU C C 16.852 9.108 4.193 . . . 1.0 . . . . . . . . . . . . A . 11 LEU C . . . . . . . . . rr_2n28 1
. 1 . 162 . 1 1 11 LEU CA C 17.257 10.494 4.686 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CA . . . . . . . . . rr_2n28 1
. 1 . 163 . 1 1 11 LEU CB C 18.545 10.400 5.517 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CB . . . . . . . . . rr_2n28 1
. 1 . 164 . 1 1 11 LEU CD1 C 19.975 10.635 3.450 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CD1 . . . . . . . . . rr_2n28 1
. 1 . 165 . 1 1 11 LEU CD2 C 20.937 9.687 5.565 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CD2 . . . . . . . . . rr_2n28 1
. 1 . 166 . 1 1 11 LEU CG C 19.681 9.774 4.691 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CG . . . . . . . . . rr_2n28 1
. 1 . 167 . 1 1 11 LEU H H 16.341 11.259 6.443 . . . 1.0 . . . . . . . . . . . . A . 11 LEU H . . . . . . . . . rr_2n28 1
. 1 . 168 . 1 1 11 LEU HA H 17.440 11.122 3.829 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HA . . . . . . . . . rr_2n28 1
. 1 . 169 . 1 1 11 LEU HB2 H 18.838 11.391 5.832 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HB2 . . . . . . . . . rr_2n28 1
. 1 . 170 . 1 1 11 LEU HB3 H 18.363 9.789 6.388 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HB3 . . . . . . . . . rr_2n28 1
. 1 . 171 . 1 1 11 LEU HD11 H 20.988 10.459 3.116 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD11 . . . . . . . . . rr_2n28 1
. 1 . 172 . 1 1 11 LEU HD12 H 19.856 11.680 3.695 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD12 . . . . . . . . . rr_2n28 1
. 1 . 173 . 1 1 11 LEU HD13 H 19.289 10.369 2.659 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD13 . . . . . . . . . rr_2n28 1
. 1 . 174 . 1 1 11 LEU HD21 H 20.680 9.260 6.523 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD21 . . . . . . . . . rr_2n28 1
. 1 . 175 . 1 1 11 LEU HD22 H 21.344 10.677 5.710 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD22 . . . . . . . . . rr_2n28 1
. 1 . 176 . 1 1 11 LEU HD23 H 21.672 9.063 5.078 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD23 . . . . . . . . . rr_2n28 1
. 1 . 177 . 1 1 11 LEU HG H 19.397 8.781 4.377 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HG . . . . . . . . . rr_2n28 1
. 1 . 178 . 1 1 11 LEU N N 16.188 11.067 5.495 . . . 1.0 . . . . . . . . . . . . A . 11 LEU N . . . . . . . . . rr_2n28 1
. 1 . 179 . 1 1 11 LEU O O 17.012 8.789 3.017 . . . 1.0 . . . . . . . . . . . . A . 11 LEU O . . . . . . . . . rr_2n28 1
. 1 . 180 . 1 1 12 VAL C C 14.834 7.014 3.654 . . . 1.0 . . . . . . . . . . . . A . 12 VAL C . . . . . . . . . rr_2n28 1
. 1 . 181 . 1 1 12 VAL CA C 15.910 6.941 4.732 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CA . . . . . . . . . rr_2n28 1
. 1 . 182 . 1 1 12 VAL CB C 15.395 6.181 5.959 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CB . . . . . . . . . rr_2n28 1
. 1 . 183 . 1 1 12 VAL CG1 C 14.762 4.856 5.522 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CG1 . . . . . . . . . rr_2n28 1
. 1 . 184 . 1 1 12 VAL CG2 C 16.563 5.895 6.906 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CG2 . . . . . . . . . rr_2n28 1
. 1 . 185 . 1 1 12 VAL H H 16.235 8.604 6.024 . . . 1.0 . . . . . . . . . . . . A . 12 VAL H . . . . . . . . . rr_2n28 1
. 1 . 186 . 1 1 12 VAL HA H 16.760 6.423 4.316 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HA . . . . . . . . . rr_2n28 1
. 1 . 187 . 1 1 12 VAL HB H 14.656 6.780 6.468 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HB . . . . . . . . . rr_2n28 1
. 1 . 188 . 1 1 12 VAL HG11 H 14.616 4.225 6.386 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG11 . . . . . . . . . rr_2n28 1
. 1 . 189 . 1 1 12 VAL HG12 H 15.415 4.360 4.820 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG12 . . . . . . . . . rr_2n28 1
. 1 . 190 . 1 1 12 VAL HG13 H 13.808 5.050 5.053 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG13 . . . . . . . . . rr_2n28 1
. 1 . 191 . 1 1 12 VAL HG21 H 17.364 5.421 6.357 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG21 . . . . . . . . . rr_2n28 1
. 1 . 192 . 1 1 12 VAL HG22 H 16.233 5.242 7.698 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG22 . . . . . . . . . rr_2n28 1
. 1 . 193 . 1 1 12 VAL HG23 H 16.918 6.824 7.328 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG23 . . . . . . . . . rr_2n28 1
. 1 . 194 . 1 1 12 VAL N N 16.327 8.291 5.099 . . . 1.0 . . . . . . . . . . . . A . 12 VAL N . . . . . . . . . rr_2n28 1
. 1 . 195 . 1 1 12 VAL O O 14.873 6.262 2.681 . . . 1.0 . . . . . . . . . . . . A . 12 VAL O . . . . . . . . . rr_2n28 1
. 1 . 196 . 1 1 13 VAL C C 13.422 8.367 1.477 . . . 1.0 . . . . . . . . . . . . A . 13 VAL C . . . . . . . . . rr_2n28 1
. 1 . 197 . 1 1 13 VAL CA C 12.811 8.068 2.844 . . . 1.0 . . . . . . . . . . . . A . 13 VAL CA . . . . . . . . . rr_2n28 1
. 1 . 198 . 1 1 13 VAL CB C 11.905 9.233 3.259 . . . 1.0 . . . . . . . . . . . . A . 13 VAL CB . . . . . . . . . rr_2n28 1
. 1 . 199 . 1 1 13 VAL CG1 C 10.908 9.543 2.138 . . . 1.0 . . . . . . . . . . . . A . 13 VAL CG1 . . . . . . . . . rr_2n28 1
. 1 . 200 . 1 1 13 VAL CG2 C 11.138 8.851 4.528 . . . 1.0 . . . . . . . . . . . . A . 13 VAL CG2 . . . . . . . . . rr_2n28 1
. 1 . 201 . 1 1 13 VAL H H 13.884 8.484 4.624 . . . 1.0 . . . . . . . . . . . . A . 13 VAL H . . . . . . . . . rr_2n28 1
. 1 . 202 . 1 1 13 VAL HA H 12.221 7.162 2.833 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HA . . . . . . . . . rr_2n28 1
. 1 . 203 . 1 1 13 VAL HB H 12.511 10.106 3.452 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HB . . . . . . . . . rr_2n28 1
. 1 . 204 . 1 1 13 VAL HG11 H 10.127 10.183 2.519 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG11 . . . . . . . . . rr_2n28 1
. 1 . 205 . 1 1 13 VAL HG12 H 10.475 8.621 1.777 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG12 . . . . . . . . . rr_2n28 1
. 1 . 206 . 1 1 13 VAL HG13 H 11.421 10.042 1.329 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG13 . . . . . . . . . rr_2n28 1
. 1 . 207 . 1 1 13 VAL HG21 H 10.365 8.138 4.280 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG21 . . . . . . . . . rr_2n28 1
. 1 . 208 . 1 1 13 VAL HG22 H 10.690 9.734 4.957 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG22 . . . . . . . . . rr_2n28 1
. 1 . 209 . 1 1 13 VAL HG23 H 11.819 8.410 5.240 . . . 1.0 . . . . . . . . . . . . A . 13 VAL HG23 . . . . . . . . . rr_2n28 1
. 1 . 210 . 1 1 13 VAL N N 13.880 7.920 3.822 . . . 1.0 . . . . . . . . . . . . A . 13 VAL N . . . . . . . . . rr_2n28 1
. 1 . 211 . 1 1 13 VAL O O 12.995 7.844 0.448 . . . 1.0 . . . . . . . . . . . . A . 13 VAL O . . . . . . . . . rr_2n28 1
. 1 . 212 . 1 1 14 ALA C C 15.745 8.449 -0.412 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_2n28 1
. 1 . 213 . 1 1 14 ALA CA C 15.122 9.656 0.293 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_2n28 1
. 1 . 214 . 1 1 14 ALA CB C 16.215 10.668 0.639 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_2n28 1
. 1 . 215 . 1 1 14 ALA H H 14.674 9.608 2.378 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_2n28 1
. 1 . 216 . 1 1 14 ALA HA H 14.404 10.127 -0.361 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_2n28 1
. 1 . 217 . 1 1 14 ALA HB1 H 16.546 11.163 -0.262 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_2n28 1
. 1 . 218 . 1 1 14 ALA HB2 H 17.049 10.156 1.096 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_2n28 1
. 1 . 219 . 1 1 14 ALA HB3 H 15.822 11.401 1.327 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_2n28 1
. 1 . 220 . 1 1 14 ALA N N 14.427 9.237 1.506 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_2n28 1
. 1 . 221 . 1 1 14 ALA O O 15.739 8.361 -1.639 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_2n28 1
. 1 . 222 . 1 1 15 ILE C C 15.877 5.446 -0.890 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . rr_2n28 1
. 1 . 223 . 1 1 15 ILE CA C 16.907 6.325 -0.175 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 224 . 1 1 15 ILE CB C 17.582 5.517 0.946 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 225 . 1 1 15 ILE CD1 C 19.817 6.652 0.484 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 226 . 1 1 15 ILE CG1 C 18.759 6.312 1.548 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 227 . 1 1 15 ILE CG2 C 18.086 4.176 0.399 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 228 . 1 1 15 ILE H H 16.261 7.652 1.348 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . rr_2n28 1
. 1 . 229 . 1 1 15 ILE HA H 17.656 6.621 -0.891 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 230 . 1 1 15 ILE HB H 16.853 5.324 1.720 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 231 . 1 1 15 ILE HD11 H 19.844 5.888 -0.277 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 232 . 1 1 15 ILE HD12 H 20.786 6.721 0.954 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 233 . 1 1 15 ILE HD13 H 19.574 7.602 0.029 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 234 . 1 1 15 ILE HG12 H 18.384 7.227 1.975 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 235 . 1 1 15 ILE HG13 H 19.219 5.722 2.327 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 236 . 1 1 15 ILE HG21 H 18.606 4.340 -0.534 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 237 . 1 1 15 ILE HG22 H 17.247 3.517 0.232 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 238 . 1 1 15 ILE HG23 H 18.760 3.728 1.113 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 239 . 1 1 15 ILE N N 16.284 7.526 0.376 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . rr_2n28 1
. 1 . 240 . 1 1 15 ILE O O 16.172 4.861 -1.932 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . rr_2n28 1
. 1 . 241 . 1 1 16 ILE C C 13.291 4.934 -2.312 . . . 1.0 . . . . . . . . . . . . A . 16 ILE C . . . . . . . . . rr_2n28 1
. 1 . 242 . 1 1 16 ILE CA C 13.647 4.475 -0.898 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 243 . 1 1 16 ILE CB C 12.386 4.550 -0.028 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 244 . 1 1 16 ILE CD1 C 13.158 2.535 1.326 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 245 . 1 1 16 ILE CG1 C 12.673 3.993 1.382 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 246 . 1 1 16 ILE CG2 C 11.251 3.754 -0.681 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 247 . 1 1 16 ILE H H 14.506 5.790 0.534 . . . 1.0 . . . . . . . . . . . . A . 16 ILE H . . . . . . . . . rr_2n28 1
. 1 . 248 . 1 1 16 ILE HA H 13.989 3.454 -0.915 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 249 . 1 1 16 ILE HB H 12.081 5.584 0.056 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 250 . 1 1 16 ILE HD11 H 14.233 2.519 1.217 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 251 . 1 1 16 ILE HD12 H 12.707 2.022 0.492 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 252 . 1 1 16 ILE HD13 H 12.887 2.033 2.243 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 253 . 1 1 16 ILE HG12 H 13.432 4.599 1.852 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 254 . 1 1 16 ILE HG13 H 11.768 4.041 1.971 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 255 . 1 1 16 ILE HG21 H 10.466 3.588 0.042 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 256 . 1 1 16 ILE HG22 H 11.630 2.803 -1.025 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 257 . 1 1 16 ILE HG23 H 10.858 4.310 -1.519 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 258 . 1 1 16 ILE N N 14.684 5.325 -0.310 . . . 1.0 . . . . . . . . . . . . A . 16 ILE N . . . . . . . . . rr_2n28 1
. 1 . 259 . 1 1 16 ILE O O 13.260 4.130 -3.244 . . . 1.0 . . . . . . . . . . . . A . 16 ILE O . . . . . . . . . rr_2n28 1
. 1 . 260 . 1 1 17 ILE C C 13.748 6.571 -4.776 . . . 1.0 . . . . . . . . . . . . A . 17 ILE C . . . . . . . . . rr_2n28 1
. 1 . 261 . 1 1 17 ILE CA C 12.622 6.758 -3.764 . . . 1.0 . . . . . . . . . . . . A . 17 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 262 . 1 1 17 ILE CB C 12.254 8.239 -3.650 . . . 1.0 . . . . . . . . . . . . A . 17 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 263 . 1 1 17 ILE CD1 C 13.145 10.512 -3.129 . . . 1.0 . . . . . . . . . . . . A . 17 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 264 . 1 1 17 ILE CG1 C 13.406 9.010 -3.010 . . . 1.0 . . . . . . . . . . . . A . 17 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 265 . 1 1 17 ILE CG2 C 11.003 8.387 -2.783 . . . 1.0 . . . . . . . . . . . . A . 17 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 266 . 1 1 17 ILE H H 13.001 6.800 -1.669 . . . 1.0 . . . . . . . . . . . . A . 17 ILE H . . . . . . . . . rr_2n28 1
. 1 . 267 . 1 1 17 ILE HA H 11.751 6.217 -4.102 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 268 . 1 1 17 ILE HB H 12.056 8.636 -4.636 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 269 . 1 1 17 ILE HD11 H 13.001 10.771 -4.168 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 270 . 1 1 17 ILE HD12 H 13.991 11.057 -2.737 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 271 . 1 1 17 ILE HD13 H 12.259 10.769 -2.568 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 272 . 1 1 17 ILE HG12 H 13.473 8.739 -1.968 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 273 . 1 1 17 ILE HG13 H 14.332 8.765 -3.508 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 274 . 1 1 17 ILE HG21 H 10.170 7.897 -3.266 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 275 . 1 1 17 ILE HG22 H 10.776 9.435 -2.653 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 276 . 1 1 17 ILE HG23 H 11.178 7.935 -1.818 . . . 1.0 . . . . . . . . . . . . A . 17 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 277 . 1 1 17 ILE N N 13.000 6.222 -2.459 . . . 1.0 . . . . . . . . . . . . A . 17 ILE N . . . . . . . . . rr_2n28 1
. 1 . 278 . 1 1 17 ILE O O 13.502 6.400 -5.967 . . . 1.0 . . . . . . . . . . . . A . 17 ILE O . . . . . . . . . rr_2n28 1
. 1 . 279 . 1 1 18 ALA C C 16.000 4.993 -5.815 . . . 1.0 . . . . . . . . . . . . A . 18 ALA C . . . . . . . . . rr_2n28 1
. 1 . 280 . 1 1 18 ALA CA C 16.118 6.373 -5.180 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CA . . . . . . . . . rr_2n28 1
. 1 . 281 . 1 1 18 ALA CB C 17.430 6.478 -4.399 . . . 1.0 . . . . . . . . . . . . A . 18 ALA CB . . . . . . . . . rr_2n28 1
. 1 . 282 . 1 1 18 ALA H H 15.099 6.681 -3.322 . . . 1.0 . . . . . . . . . . . . A . 18 ALA H . . . . . . . . . rr_2n28 1
. 1 . 283 . 1 1 18 ALA HA H 16.102 7.126 -5.954 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HA . . . . . . . . . rr_2n28 1
. 1 . 284 . 1 1 18 ALA HB1 H 17.396 7.341 -3.751 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB1 . . . . . . . . . rr_2n28 1
. 1 . 285 . 1 1 18 ALA HB2 H 18.253 6.580 -5.091 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB2 . . . . . . . . . rr_2n28 1
. 1 . 286 . 1 1 18 ALA HB3 H 17.568 5.587 -3.805 . . . 1.0 . . . . . . . . . . . . A . 18 ALA HB3 . . . . . . . . . rr_2n28 1
. 1 . 287 . 1 1 18 ALA N N 14.983 6.575 -4.289 . . . 1.0 . . . . . . . . . . . . A . 18 ALA N . . . . . . . . . rr_2n28 1
. 1 . 288 . 1 1 18 ALA O O 16.098 4.835 -7.032 . . . 1.0 . . . . . . . . . . . . A . 18 ALA O . . . . . . . . . rr_2n28 1
. 1 . 289 . 1 1 19 ILE C C 14.450 2.453 -6.322 . . . 1.0 . . . . . . . . . . . . A . 19 ILE C . . . . . . . . . rr_2n28 1
. 1 . 290 . 1 1 19 ILE CA C 15.663 2.616 -5.407 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 291 . 1 1 19 ILE CB C 15.529 1.681 -4.198 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 292 . 1 1 19 ILE CD1 C 18.046 1.300 -4.175 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 293 . 1 1 19 ILE CG1 C 16.817 1.716 -3.350 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 294 . 1 1 19 ILE CG2 C 15.252 0.250 -4.670 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 295 . 1 1 19 ILE H H 15.770 4.212 -4.003 . . . 1.0 . . . . . . . . . . . . A . 19 ILE H . . . . . . . . . rr_2n28 1
. 1 . 296 . 1 1 19 ILE HA H 16.543 2.349 -5.968 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 297 . 1 1 19 ILE HB H 14.698 2.014 -3.592 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 298 . 1 1 19 ILE HD11 H 18.471 2.171 -4.650 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 299 . 1 1 19 ILE HD12 H 17.766 0.582 -4.930 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 300 . 1 1 19 ILE HD13 H 18.782 0.858 -3.520 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 301 . 1 1 19 ILE HG12 H 16.967 2.718 -2.977 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 302 . 1 1 19 ILE HG13 H 16.707 1.042 -2.513 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 303 . 1 1 19 ILE HG21 H 15.928 0.001 -5.475 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 304 . 1 1 19 ILE HG22 H 14.233 0.177 -5.019 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 305 . 1 1 19 ILE HG23 H 15.402 -0.435 -3.849 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 306 . 1 1 19 ILE N N 15.793 3.998 -4.960 . . . 1.0 . . . . . . . . . . . . A . 19 ILE N . . . . . . . . . rr_2n28 1
. 1 . 307 . 1 1 19 ILE O O 14.541 1.813 -7.366 . . . 1.0 . . . . . . . . . . . . A . 19 ILE O . . . . . . . . . rr_2n28 1
. 1 . 308 . 1 1 20 VAL C C 12.361 3.678 -8.101 . . . 1.0 . . . . . . . . . . . . A . 20 VAL C . . . . . . . . . rr_2n28 1
. 1 . 309 . 1 1 20 VAL CA C 12.122 2.967 -6.770 . . . 1.0 . . . . . . . . . . . . A . 20 VAL CA . . . . . . . . . rr_2n28 1
. 1 . 310 . 1 1 20 VAL CB C 10.936 3.606 -6.040 . . . 1.0 . . . . . . . . . . . . A . 20 VAL CB . . . . . . . . . rr_2n28 1
. 1 . 311 . 1 1 20 VAL CG1 C 9.733 3.697 -6.982 . . . 1.0 . . . . . . . . . . . . A . 20 VAL CG1 . . . . . . . . . rr_2n28 1
. 1 . 312 . 1 1 20 VAL CG2 C 10.567 2.751 -4.826 . . . 1.0 . . . . . . . . . . . . A . 20 VAL CG2 . . . . . . . . . rr_2n28 1
. 1 . 313 . 1 1 20 VAL H H 13.318 3.584 -5.119 . . . 1.0 . . . . . . . . . . . . A . 20 VAL H . . . . . . . . . rr_2n28 1
. 1 . 314 . 1 1 20 VAL HA H 11.899 1.929 -6.963 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HA . . . . . . . . . rr_2n28 1
. 1 . 315 . 1 1 20 VAL HB H 11.210 4.598 -5.712 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HB . . . . . . . . . rr_2n28 1
. 1 . 316 . 1 1 20 VAL HG11 H 9.601 2.753 -7.490 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG11 . . . . . . . . . rr_2n28 1
. 1 . 317 . 1 1 20 VAL HG12 H 9.903 4.476 -7.710 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG12 . . . . . . . . . rr_2n28 1
. 1 . 318 . 1 1 20 VAL HG13 H 8.845 3.925 -6.412 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG13 . . . . . . . . . rr_2n28 1
. 1 . 319 . 1 1 20 VAL HG21 H 10.305 1.756 -5.154 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG21 . . . . . . . . . rr_2n28 1
. 1 . 320 . 1 1 20 VAL HG22 H 9.725 3.195 -4.315 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG22 . . . . . . . . . rr_2n28 1
. 1 . 321 . 1 1 20 VAL HG23 H 11.410 2.698 -4.154 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG23 . . . . . . . . . rr_2n28 1
. 1 . 322 . 1 1 20 VAL N N 13.324 3.051 -5.942 . . . 1.0 . . . . . . . . . . . . A . 20 VAL N . . . . . . . . . rr_2n28 1
. 1 . 323 . 1 1 20 VAL O O 12.070 3.145 -9.172 . . . 1.0 . . . . . . . . . . . . A . 20 VAL O . . . . . . . . . rr_2n28 1
. 1 . 324 . 1 1 21 VAL C C 14.230 5.020 -10.088 . . . 1.0 . . . . . . . . . . . . A . 21 VAL C . . . . . . . . . rr_2n28 1
. 1 . 325 . 1 1 21 VAL CA C 13.200 5.696 -9.184 . . . 1.0 . . . . . . . . . . . . A . 21 VAL CA . . . . . . . . . rr_2n28 1
. 1 . 326 . 1 1 21 VAL CB C 13.701 7.082 -8.751 . . . 1.0 . . . . . . . . . . . . A . 21 VAL CB . . . . . . . . . rr_2n28 1
. 1 . 327 . 1 1 21 VAL CG1 C 14.239 7.850 -9.965 . . . 1.0 . . . . . . . . . . . . A . 21 VAL CG1 . . . . . . . . . rr_2n28 1
. 1 . 328 . 1 1 21 VAL CG2 C 12.541 7.873 -8.127 . . . 1.0 . . . . . . . . . . . . A . 21 VAL CG2 . . . . . . . . . rr_2n28 1
. 1 . 329 . 1 1 21 VAL H H 13.100 5.241 -7.116 . . . 1.0 . . . . . . . . . . . . A . 21 VAL H . . . . . . . . . rr_2n28 1
. 1 . 330 . 1 1 21 VAL HA H 12.314 5.828 -9.787 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HA . . . . . . . . . rr_2n28 1
. 1 . 331 . 1 1 21 VAL HB H 14.491 6.967 -8.023 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HB . . . . . . . . . rr_2n28 1
. 1 . 332 . 1 1 21 VAL HG11 H 13.545 7.757 -10.787 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG11 . . . . . . . . . rr_2n28 1
. 1 . 333 . 1 1 21 VAL HG12 H 15.196 7.443 -10.254 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG12 . . . . . . . . . rr_2n28 1
. 1 . 334 . 1 1 21 VAL HG13 H 14.354 8.893 -9.709 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG13 . . . . . . . . . rr_2n28 1
. 1 . 335 . 1 1 21 VAL HG21 H 11.917 8.281 -8.910 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG21 . . . . . . . . . rr_2n28 1
. 1 . 336 . 1 1 21 VAL HG22 H 12.938 8.679 -7.528 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG22 . . . . . . . . . rr_2n28 1
. 1 . 337 . 1 1 21 VAL HG23 H 11.948 7.221 -7.502 . . . 1.0 . . . . . . . . . . . . A . 21 VAL HG23 . . . . . . . . . rr_2n28 1
. 1 . 338 . 1 1 21 VAL N N 12.901 4.885 -8.007 . . . 1.0 . . . . . . . . . . . . A . 21 VAL N . . . . . . . . . rr_2n28 1
. 1 . 339 . 1 1 21 VAL O O 14.068 5.032 -11.309 . . . 1.0 . . . . . . . . . . . . A . 21 VAL O . . . . . . . . . rr_2n28 1
. 1 . 340 . 1 1 22 TRP C C 15.909 2.450 -10.822 . . . 1.0 . . . . . . . . . . . . A . 22 TRP C . . . . . . . . . rr_2n28 1
. 1 . 341 . 1 1 22 TRP CA C 16.329 3.850 -10.374 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CA . . . . . . . . . rr_2n28 1
. 1 . 342 . 1 1 22 TRP CB C 17.659 3.778 -9.617 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CB . . . . . . . . . rr_2n28 1
. 1 . 343 . 1 1 22 TRP CD1 C 19.479 2.436 -10.748 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CD1 . . . . . . . . . rr_2n28 1
. 1 . 344 . 1 1 22 TRP CD2 C 19.353 4.543 -11.524 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CD2 . . . . . . . . . rr_2n28 1
. 1 . 345 . 1 1 22 TRP CE2 C 20.400 3.910 -12.234 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CE2 . . . . . . . . . rr_2n28 1
. 1 . 346 . 1 1 22 TRP CE3 C 19.064 5.886 -11.825 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CE3 . . . . . . . . . rr_2n28 1
. 1 . 347 . 1 1 22 TRP CG C 18.784 3.585 -10.584 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CG . . . . . . . . . rr_2n28 1
. 1 . 348 . 1 1 22 TRP CH2 C 20.835 5.921 -13.496 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CH2 . . . . . . . . . rr_2n28 1
. 1 . 349 . 1 1 22 TRP CZ2 C 21.135 4.587 -13.209 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CZ2 . . . . . . . . . rr_2n28 1
. 1 . 350 . 1 1 22 TRP CZ3 C 19.801 6.570 -12.806 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CZ3 . . . . . . . . . rr_2n28 1
. 1 . 351 . 1 1 22 TRP H H 15.444 4.503 -8.560 . . . 1.0 . . . . . . . . . . . . A . 22 TRP H . . . . . . . . . rr_2n28 1
. 1 . 352 . 1 1 22 TRP HA H 16.452 4.487 -11.240 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HA . . . . . . . . . rr_2n28 1
. 1 . 353 . 1 1 22 TRP HB2 H 17.810 4.696 -9.069 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HB2 . . . . . . . . . rr_2n28 1
. 1 . 354 . 1 1 22 TRP HB3 H 17.633 2.948 -8.925 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HB3 . . . . . . . . . rr_2n28 1
. 1 . 355 . 1 1 22 TRP HD1 H 19.313 1.520 -10.203 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HD1 . . . . . . . . . rr_2n28 1
. 1 . 356 . 1 1 22 TRP HE1 H 21.077 1.951 -12.032 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HE1 . . . . . . . . . rr_2n28 1
. 1 . 357 . 1 1 22 TRP HE3 H 18.269 6.396 -11.299 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HE3 . . . . . . . . . rr_2n28 1
. 1 . 358 . 1 1 22 TRP HH2 H 21.398 6.452 -14.249 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HH2 . . . . . . . . . rr_2n28 1
. 1 . 359 . 1 1 22 TRP HZ2 H 21.931 4.082 -13.737 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HZ2 . . . . . . . . . rr_2n28 1
. 1 . 360 . 1 1 22 TRP HZ3 H 19.571 7.602 -13.029 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HZ3 . . . . . . . . . rr_2n28 1
. 1 . 361 . 1 1 22 TRP N N 15.305 4.465 -9.529 . . . 1.0 . . . . . . . . . . . . A . 22 TRP N . . . . . . . . . rr_2n28 1
. 1 . 362 . 1 1 22 TRP NE1 N 20.439 2.629 -11.725 . . . 1.0 . . . . . . . . . . . . A . 22 TRP NE1 . . . . . . . . . rr_2n28 1
. 1 . 363 . 1 1 22 TRP O O 16.516 1.869 -11.721 . . . 1.0 . . . . . . . . . . . . A . 22 TRP O . . . . . . . . . rr_2n28 1
. 1 . 364 . 1 1 23 SER C C 13.934 0.550 -12.016 . . . 1.0 . . . . . . . . . . . . A . 23 SER C . . . . . . . . . rr_2n28 1
. 1 . 365 . 1 1 23 SER CA C 14.379 0.583 -10.556 . . . 1.0 . . . . . . . . . . . . A . 23 SER CA . . . . . . . . . rr_2n28 1
. 1 . 366 . 1 1 23 SER CB C 13.217 0.167 -9.652 . . . 1.0 . . . . . . . . . . . . A . 23 SER CB . . . . . . . . . rr_2n28 1
. 1 . 367 . 1 1 23 SER H H 14.413 2.419 -9.490 . . . 1.0 . . . . . . . . . . . . A . 23 SER H . . . . . . . . . rr_2n28 1
. 1 . 368 . 1 1 23 SER HA H 15.188 -0.122 -10.440 . . . 1.0 . . . . . . . . . . . . A . 23 SER HA . . . . . . . . . rr_2n28 1
. 1 . 369 . 1 1 23 SER HB2 H 13.548 0.129 -8.630 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB2 . . . . . . . . . rr_2n28 1
. 1 . 370 . 1 1 23 SER HB3 H 12.414 0.886 -9.744 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB3 . . . . . . . . . rr_2n28 1
. 1 . 371 . 1 1 23 SER HG H 11.806 -1.090 -10.113 . . . 1.0 . . . . . . . . . . . . A . 23 SER HG . . . . . . . . . rr_2n28 1
. 1 . 372 . 1 1 23 SER N N 14.865 1.913 -10.198 . . . 1.0 . . . . . . . . . . . . A . 23 SER N . . . . . . . . . rr_2n28 1
. 1 . 373 . 1 1 23 SER O O 14.167 -0.433 -12.717 . . . 1.0 . . . . . . . . . . . . A . 23 SER O . . . . . . . . . rr_2n28 1
. 1 . 374 . 1 1 23 SER OG O 12.762 -1.122 -10.039 . . . 1.0 . . . . . . . . . . . . A . 23 SER OG . . . . . . . . . rr_2n28 1
. 1 . 375 . 1 1 24 ILE C C 14.017 1.528 -14.795 . . . 1.0 . . . . . . . . . . . . A . 24 ILE C . . . . . . . . . rr_2n28 1
. 1 . 376 . 1 1 24 ILE CA C 12.824 1.676 -13.851 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 377 . 1 1 24 ILE CB C 12.118 3.012 -14.109 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 378 . 1 1 24 ILE CD1 C 10.239 4.472 -13.344 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 379 . 1 1 24 ILE CG1 C 10.809 3.052 -13.318 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 380 . 1 1 24 ILE CG2 C 11.810 3.155 -15.603 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 381 . 1 1 24 ILE H H 13.125 2.379 -11.871 . . . 1.0 . . . . . . . . . . . . A . 24 ILE H . . . . . . . . . rr_2n28 1
. 1 . 382 . 1 1 24 ILE HA H 12.120 0.872 -14.000 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 383 . 1 1 24 ILE HB H 12.757 3.823 -13.793 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 384 . 1 1 24 ILE HD11 H 10.864 5.122 -12.749 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 385 . 1 1 24 ILE HD12 H 9.238 4.465 -12.938 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 386 . 1 1 24 ILE HD13 H 10.213 4.831 -14.362 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 387 . 1 1 24 ILE HG12 H 10.098 2.370 -13.763 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 388 . 1 1 24 ILE HG13 H 10.997 2.760 -12.296 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 389 . 1 1 24 ILE HG21 H 12.725 3.359 -16.140 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 390 . 1 1 24 ILE HG22 H 11.116 3.970 -15.750 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 391 . 1 1 24 ILE HG23 H 11.373 2.239 -15.970 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 392 . 1 1 24 ILE N N 13.291 1.621 -12.470 . . . 1.0 . . . . . . . . . . . . A . 24 ILE N . . . . . . . . . rr_2n28 1
. 1 . 393 . 1 1 24 ILE O O 13.971 0.782 -15.772 . . . 1.0 . . . . . . . . . . . . A . 24 ILE O . . . . . . . . . rr_2n28 1
. 1 . 394 . 1 1 25 VAL C C 16.884 0.739 -15.232 . . . 1.0 . . . . . . . . . . . . A . 25 VAL C . . . . . . . . . rr_2n28 1
. 1 . 395 . 1 1 25 VAL CA C 16.327 2.163 -15.233 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CA . . . . . . . . . rr_2n28 1
. 1 . 396 . 1 1 25 VAL CB C 17.362 3.120 -14.630 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CB . . . . . . . . . rr_2n28 1
. 1 . 397 . 1 1 25 VAL CG1 C 18.721 2.915 -15.304 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CG1 . . . . . . . . . rr_2n28 1
. 1 . 398 . 1 1 25 VAL CG2 C 16.903 4.565 -14.846 . . . 1.0 . . . . . . . . . . . . A . 25 VAL CG2 . . . . . . . . . rr_2n28 1
. 1 . 399 . 1 1 25 VAL H H 15.055 2.759 -13.635 . . . 1.0 . . . . . . . . . . . . A . 25 VAL H . . . . . . . . . rr_2n28 1
. 1 . 400 . 1 1 25 VAL HA H 16.165 2.447 -16.264 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HA . . . . . . . . . rr_2n28 1
. 1 . 401 . 1 1 25 VAL HB H 17.456 2.928 -13.573 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HB . . . . . . . . . rr_2n28 1
. 1 . 402 . 1 1 25 VAL HG11 H 19.161 1.992 -14.954 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG11 . . . . . . . . . rr_2n28 1
. 1 . 403 . 1 1 25 VAL HG12 H 19.374 3.740 -15.060 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG12 . . . . . . . . . rr_2n28 1
. 1 . 404 . 1 1 25 VAL HG13 H 18.588 2.866 -16.375 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG13 . . . . . . . . . rr_2n28 1
. 1 . 405 . 1 1 25 VAL HG21 H 17.040 4.834 -15.883 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG21 . . . . . . . . . rr_2n28 1
. 1 . 406 . 1 1 25 VAL HG22 H 17.487 5.225 -14.223 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG22 . . . . . . . . . rr_2n28 1
. 1 . 407 . 1 1 25 VAL HG23 H 15.859 4.653 -14.586 . . . 1.0 . . . . . . . . . . . . A . 25 VAL HG23 . . . . . . . . . rr_2n28 1
. 1 . 408 . 1 1 25 VAL N N 15.093 2.225 -14.456 . . . 1.0 . . . . . . . . . . . . A . 25 VAL N . . . . . . . . . rr_2n28 1
. 1 . 409 . 1 1 25 VAL O O 17.248 0.212 -16.282 . . . 1.0 . . . . . . . . . . . . A . 25 VAL O . . . . . . . . . rr_2n28 1
. 1 . 410 . 1 1 26 ILE C C 16.733 -2.192 -14.812 . . . 1.0 . . . . . . . . . . . . A . 26 ILE C . . . . . . . . . rr_2n28 1
. 1 . 411 . 1 1 26 ILE CA C 17.553 -1.207 -13.975 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 412 . 1 1 26 ILE CB C 17.590 -1.674 -12.515 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 413 . 1 1 26 ILE CD1 C 18.455 -1.094 -10.236 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 414 . 1 1 26 ILE CG1 C 18.609 -0.834 -11.738 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 415 . 1 1 26 ILE CG2 C 18.000 -3.150 -12.450 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 416 . 1 1 26 ILE H H 16.737 0.634 -13.246 . . . 1.0 . . . . . . . . . . . . A . 26 ILE H . . . . . . . . . rr_2n28 1
. 1 . 417 . 1 1 26 ILE HA H 18.563 -1.183 -14.356 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 418 . 1 1 26 ILE HB H 16.611 -1.554 -12.074 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 419 . 1 1 26 ILE HD11 H 19.349 -0.771 -9.723 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 420 . 1 1 26 ILE HD12 H 18.304 -2.149 -10.063 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 421 . 1 1 26 ILE HD13 H 17.606 -0.542 -9.861 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 422 . 1 1 26 ILE HG12 H 19.607 -1.104 -12.051 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 423 . 1 1 26 ILE HG13 H 18.439 0.212 -11.941 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 424 . 1 1 26 ILE HG21 H 18.265 -3.406 -11.435 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 425 . 1 1 26 ILE HG22 H 18.850 -3.315 -13.097 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 426 . 1 1 26 ILE HG23 H 17.176 -3.767 -12.776 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 427 . 1 1 26 ILE N N 16.987 0.137 -14.053 . . . 1.0 . . . . . . . . . . . . A . 26 ILE N . . . . . . . . . rr_2n28 1
. 1 . 428 . 1 1 26 ILE O O 17.289 -2.914 -15.640 . . . 1.0 . . . . . . . . . . . . A . 26 ILE O . . . . . . . . . rr_2n28 1
. 1 . 429 . 1 1 27 ILE C C 14.409 -2.743 -16.793 . . . 1.0 . . . . . . . . . . . . A . 27 ILE C . . . . . . . . . rr_2n28 1
. 1 . 430 . 1 1 27 ILE CA C 14.575 -3.169 -15.334 . . . 1.0 . . . . . . . . . . . . A . 27 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 431 . 1 1 27 ILE CB C 13.198 -3.265 -14.668 . . . 1.0 . . . . . . . . . . . . A . 27 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 432 . 1 1 27 ILE CD1 C 11.159 -4.692 -14.442 . . . 1.0 . . . . . . . . . . . . A . 27 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 433 . 1 1 27 ILE CG1 C 12.406 -4.423 -15.286 . . . 1.0 . . . . . . . . . . . . A . 27 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 434 . 1 1 27 ILE CG2 C 12.432 -1.956 -14.875 . . . 1.0 . . . . . . . . . . . . A . 27 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 435 . 1 1 27 ILE H H 15.019 -1.690 -13.885 . . . 1.0 . . . . . . . . . . . . A . 27 ILE H . . . . . . . . . rr_2n28 1
. 1 . 436 . 1 1 27 ILE HA H 15.035 -4.144 -15.313 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 437 . 1 1 27 ILE HB H 13.326 -3.441 -13.610 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 438 . 1 1 27 ILE HD11 H 10.508 -3.831 -14.477 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 439 . 1 1 27 ILE HD12 H 11.451 -4.883 -13.420 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 440 . 1 1 27 ILE HD13 H 10.638 -5.553 -14.835 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 441 . 1 1 27 ILE HG12 H 12.112 -4.161 -16.292 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 442 . 1 1 27 ILE HG13 H 13.020 -5.311 -15.309 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 443 . 1 1 27 ILE HG21 H 13.094 -1.123 -14.699 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 444 . 1 1 27 ILE HG22 H 11.603 -1.911 -14.184 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 445 . 1 1 27 ILE HG23 H 12.059 -1.911 -15.888 . . . 1.0 . . . . . . . . . . . . A . 27 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 446 . 1 1 27 ILE N N 15.422 -2.239 -14.591 . . . 1.0 . . . . . . . . . . . . A . 27 ILE N . . . . . . . . . rr_2n28 1
. 1 . 447 . 1 1 27 ILE O O 14.384 -3.586 -17.690 . . . 1.0 . . . . . . . . . . . . A . 27 ILE O . . . . . . . . . rr_2n28 1
. 1 . 448 . 1 1 28 GLU C C 15.281 -0.012 -18.767 . . . 1.0 . . . . . . . . . . . . A . 28 GLU C . . . . . . . . . rr_2n28 1
. 1 . 449 . 1 1 28 GLU CA C 14.105 -0.908 -18.385 . . . 1.0 . . . . . . . . . . . . A . 28 GLU CA . . . . . . . . . rr_2n28 1
. 1 . 450 . 1 1 28 GLU CB C 12.795 -0.111 -18.465 . . . 1.0 . . . . . . . . . . . . A . 28 GLU CB . . . . . . . . . rr_2n28 1
. 1 . 451 . 1 1 28 GLU CD C 12.374 -0.818 -20.831 . . . 1.0 . . . . . . . . . . . . A . 28 GLU CD . . . . . . . . . rr_2n28 1
. 1 . 452 . 1 1 28 GLU CG C 12.556 0.375 -19.899 . . . 1.0 . . . . . . . . . . . . A . 28 GLU CG . . . . . . . . . rr_2n28 1
. 1 . 453 . 1 1 28 GLU H H 14.302 -0.810 -16.270 . . . 1.0 . . . . . . . . . . . . A . 28 GLU H . . . . . . . . . rr_2n28 1
. 1 . 454 . 1 1 28 GLU HA H 14.056 -1.730 -19.087 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HA . . . . . . . . . rr_2n28 1
. 1 . 455 . 1 1 28 GLU HB2 H 11.973 -0.744 -18.161 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HB2 . . . . . . . . . rr_2n28 1
. 1 . 456 . 1 1 28 GLU HB3 H 12.852 0.741 -17.808 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HB3 . . . . . . . . . rr_2n28 1
. 1 . 457 . 1 1 28 GLU HG2 H 11.666 0.986 -19.921 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HG2 . . . . . . . . . rr_2n28 1
. 1 . 458 . 1 1 28 GLU HG3 H 13.398 0.963 -20.230 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HG3 . . . . . . . . . rr_2n28 1
. 1 . 459 . 1 1 28 GLU N N 14.284 -1.434 -17.025 . . . 1.0 . . . . . . . . . . . . A . 28 GLU N . . . . . . . . . rr_2n28 1
. 1 . 460 . 1 1 28 GLU O O 15.713 0.830 -17.982 . . . 1.0 . . . . . . . . . . . . A . 28 GLU O . . . . . . . . . rr_2n28 1
. 1 . 461 . 1 1 28 GLU OE1 O 12.062 -1.889 -20.336 . . . 1.0 . . . . . . . . . . . . A . 28 GLU OE1 . . . . . . . . . rr_2n28 1
. 1 . 462 . 1 1 28 GLU OE2 O 12.549 -0.644 -22.025 . . . 1.0 . . . . . . . . . . . . A . 28 GLU OE2 . . . . . . . . . rr_2n28 1
. 1 . 463 . 1 1 29 TYR C C 16.483 1.985 -20.858 . . . 1.0 . . . . . . . . . . . . A . 29 TYR C . . . . . . . . . rr_2n28 1
. 1 . 464 . 1 1 29 TYR CA C 16.924 0.580 -20.455 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CA . . . . . . . . . rr_2n28 1
. 1 . 465 . 1 1 29 TYR CB C 17.574 -0.115 -21.653 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CB . . . . . . . . . rr_2n28 1
. 1 . 466 . 1 1 29 TYR CD1 C 19.583 -1.346 -20.761 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CD1 . . . . . . . . . rr_2n28 1
. 1 . 467 . 1 1 29 TYR CD2 C 17.550 -2.594 -21.194 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CD2 . . . . . . . . . rr_2n28 1
. 1 . 468 . 1 1 29 TYR CE1 C 20.213 -2.520 -20.332 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CE1 . . . . . . . . . rr_2n28 1
. 1 . 469 . 1 1 29 TYR CE2 C 18.180 -3.769 -20.766 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CE2 . . . . . . . . . rr_2n28 1
. 1 . 470 . 1 1 29 TYR CG C 18.252 -1.382 -21.191 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CG . . . . . . . . . rr_2n28 1
. 1 . 471 . 1 1 29 TYR CZ C 19.511 -3.732 -20.335 . . . 1.0 . . . . . . . . . . . . A . 29 TYR CZ . . . . . . . . . rr_2n28 1
. 1 . 472 . 1 1 29 TYR H H 15.410 -0.898 -20.557 . . . 1.0 . . . . . . . . . . . . A . 29 TYR H . . . . . . . . . rr_2n28 1
. 1 . 473 . 1 1 29 TYR HA H 17.654 0.657 -19.664 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HA . . . . . . . . . rr_2n28 1
. 1 . 474 . 1 1 29 TYR HB2 H 16.815 -0.357 -22.384 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HB2 . . . . . . . . . rr_2n28 1
. 1 . 475 . 1 1 29 TYR HB3 H 18.306 0.542 -22.097 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HB3 . . . . . . . . . rr_2n28 1
. 1 . 476 . 1 1 29 TYR HD1 H 20.125 -0.411 -20.759 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HD1 . . . . . . . . . rr_2n28 1
. 1 . 477 . 1 1 29 TYR HD2 H 16.522 -2.621 -21.526 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HD2 . . . . . . . . . rr_2n28 1
. 1 . 478 . 1 1 29 TYR HE1 H 21.241 -2.493 -20.000 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HE1 . . . . . . . . . rr_2n28 1
. 1 . 479 . 1 1 29 TYR HE2 H 17.638 -4.703 -20.767 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HE2 . . . . . . . . . rr_2n28 1
. 1 . 480 . 1 1 29 TYR HH H 19.908 -5.589 -20.531 . . . 1.0 . . . . . . . . . . . . A . 29 TYR HH . . . . . . . . . rr_2n28 1
. 1 . 481 . 1 1 29 TYR N N 15.794 -0.208 -19.977 . . . 1.0 . . . . . . . . . . . . A . 29 TYR N . . . . . . . . . rr_2n28 1
. 1 . 482 . 1 1 29 TYR O O 15.400 2.178 -21.410 . . . 1.0 . . . . . . . . . . . . A . 29 TYR O . . . . . . . . . rr_2n28 1
. 1 . 483 . 1 1 29 TYR OH O 20.132 -4.890 -19.912 . . . 1.0 . . . . . . . . . . . . A . 29 TYR OH . . . . . . . . . rr_2n28 1
. 1 . 484 . 1 1 30 ARG C C 16.927 4.556 -22.407 . . . 1.0 . . . . . . . . . . . . A . 30 ARG C . . . . . . . . . rr_2n28 1
. 1 . 485 . 1 1 30 ARG CA C 17.061 4.354 -20.898 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CA . . . . . . . . . rr_2n28 1
. 1 . 486 . 1 1 30 ARG CB C 18.179 5.250 -20.359 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CB . . . . . . . . . rr_2n28 1
. 1 . 487 . 1 1 30 ARG CD C 18.872 7.620 -19.971 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CD . . . . . . . . . rr_2n28 1
. 1 . 488 . 1 1 30 ARG CG C 17.858 6.714 -20.670 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CG . . . . . . . . . rr_2n28 1
. 1 . 489 . 1 1 30 ARG CZ C 19.501 8.213 -17.701 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CZ . . . . . . . . . rr_2n28 1
. 1 . 490 . 1 1 30 ARG H H 18.186 2.733 -20.133 . . . 1.0 . . . . . . . . . . . . A . 30 ARG H . . . . . . . . . rr_2n28 1
. 1 . 491 . 1 1 30 ARG HA H 16.133 4.641 -20.427 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HA . . . . . . . . . rr_2n28 1
. 1 . 492 . 1 1 30 ARG HB2 H 18.260 5.119 -19.290 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HB2 . . . . . . . . . rr_2n28 1
. 1 . 493 . 1 1 30 ARG HB3 H 19.113 4.981 -20.827 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HB3 . . . . . . . . . rr_2n28 1
. 1 . 494 . 1 1 30 ARG HD2 H 19.871 7.299 -20.220 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HD2 . . . . . . . . . rr_2n28 1
. 1 . 495 . 1 1 30 ARG HD3 H 18.731 8.637 -20.305 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HD3 . . . . . . . . . rr_2n28 1
. 1 . 496 . 1 1 30 ARG HE H 17.962 7.017 -18.154 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HE . . . . . . . . . rr_2n28 1
. 1 . 497 . 1 1 30 ARG HG2 H 17.910 6.875 -21.738 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HG2 . . . . . . . . . rr_2n28 1
. 1 . 498 . 1 1 30 ARG HG3 H 16.865 6.948 -20.318 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HG3 . . . . . . . . . rr_2n28 1
. 1 . 499 . 1 1 30 ARG HH11 H 20.621 8.985 -19.170 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HH11 . . . . . . . . . rr_2n28 1
. 1 . 500 . 1 1 30 ARG HH12 H 21.088 9.427 -17.562 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HH12 . . . . . . . . . rr_2n28 1
. 1 . 501 . 1 1 30 ARG HH21 H 18.567 7.592 -16.043 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HH21 . . . . . . . . . rr_2n28 1
. 1 . 502 . 1 1 30 ARG HH22 H 19.926 8.638 -15.791 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HH22 . . . . . . . . . rr_2n28 1
. 1 . 503 . 1 1 30 ARG N N 17.340 2.959 -20.573 . . . 1.0 . . . . . . . . . . . . A . 30 ARG N . . . . . . . . . rr_2n28 1
. 1 . 504 . 1 1 30 ARG NE N 18.692 7.554 -18.525 . . . 1.0 . . . . . . . . . . . . A . 30 ARG NE . . . . . . . . . rr_2n28 1
. 1 . 505 . 1 1 30 ARG NH1 N 20.480 8.931 -18.182 . . . 1.0 . . . . . . . . . . . . A . 30 ARG NH1 . . . . . . . . . rr_2n28 1
. 1 . 506 . 1 1 30 ARG NH2 N 19.318 8.142 -16.411 . . . 1.0 . . . . . . . . . . . . A . 30 ARG NH2 . . . . . . . . . rr_2n28 1
. 1 . 507 . 1 1 30 ARG O O 16.116 5.360 -22.864 . . . 1.0 . . . . . . . . . . . . A . 30 ARG O . . . . . . . . . rr_2n28 1
. 1 . 508 . 1 1 31 LYS C C 16.365 3.635 -25.202 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . rr_2n28 1
. 1 . 509 . 1 1 31 LYS CA C 17.736 3.977 -24.624 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . rr_2n28 1
. 1 . 510 . 1 1 31 LYS CB C 18.793 3.052 -25.235 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . rr_2n28 1
. 1 . 511 . 1 1 31 LYS CD C 21.264 2.784 -25.662 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . rr_2n28 1
. 1 . 512 . 1 1 31 LYS CE C 21.412 1.386 -25.052 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . rr_2n28 1
. 1 . 513 . 1 1 31 LYS CG C 20.193 3.586 -24.909 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . rr_2n28 1
. 1 . 514 . 1 1 31 LYS H H 18.390 3.234 -22.748 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . rr_2n28 1
. 1 . 515 . 1 1 31 LYS HA H 17.978 4.996 -24.882 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . rr_2n28 1
. 1 . 516 . 1 1 31 LYS HB2 H 18.674 2.064 -24.820 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . rr_2n28 1
. 1 . 517 . 1 1 31 LYS HB3 H 18.663 3.013 -26.306 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . rr_2n28 1
. 1 . 518 . 1 1 31 LYS HD2 H 20.975 2.693 -26.700 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . rr_2n28 1
. 1 . 519 . 1 1 31 LYS HD3 H 22.208 3.303 -25.599 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . rr_2n28 1
. 1 . 520 . 1 1 31 LYS HE2 H 21.556 1.470 -23.985 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . rr_2n28 1
. 1 . 521 . 1 1 31 LYS HE3 H 20.525 0.806 -25.252 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . rr_2n28 1
. 1 . 522 . 1 1 31 LYS HG2 H 20.257 4.625 -25.200 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . rr_2n28 1
. 1 . 523 . 1 1 31 LYS HG3 H 20.369 3.503 -23.847 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . rr_2n28 1
. 1 . 524 . 1 1 31 LYS HZ1 H 23.321 1.410 -25.884 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . rr_2n28 1
. 1 . 525 . 1 1 31 LYS HZ2 H 22.294 0.223 -26.537 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . rr_2n28 1
. 1 . 526 . 1 1 31 LYS HZ3 H 22.972 0.009 -24.993 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . rr_2n28 1
. 1 . 527 . 1 1 31 LYS N N 17.749 3.844 -23.170 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . rr_2n28 1
. 1 . 528 . 1 1 31 LYS NZ N 22.589 0.706 -25.662 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . rr_2n28 1
. 1 . 529 . 1 1 31 LYS O O 15.899 4.298 -26.128 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . rr_2n28 1
. 1 . 530 . 1 1 32 ILE C C 13.445 1.960 -23.964 . . . 1.0 . . . . . . . . . . . . A . 32 ILE C . . . . . . . . . rr_2n28 1
. 1 . 531 . 1 1 32 ILE CA C 14.387 2.206 -25.138 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 532 . 1 1 32 ILE CB C 14.506 0.935 -25.988 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 533 . 1 1 32 ILE CD1 C 13.302 -0.473 -27.667 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 534 . 1 1 32 ILE CG1 C 13.136 0.590 -26.579 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 535 . 1 1 32 ILE CG2 C 15.007 -0.233 -25.128 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 536 . 1 1 32 ILE H H 16.129 2.114 -23.917 . . . 1.0 . . . . . . . . . . . . A . 32 ILE H . . . . . . . . . rr_2n28 1
. 1 . 537 . 1 1 32 ILE HA H 13.973 2.994 -25.752 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 538 . 1 1 32 ILE HB H 15.208 1.110 -26.791 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 539 . 1 1 32 ILE HD11 H 13.670 -1.386 -27.224 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 540 . 1 1 32 ILE HD12 H 14.004 -0.122 -28.408 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 541 . 1 1 32 ILE HD13 H 12.347 -0.660 -28.136 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 542 . 1 1 32 ILE HG12 H 12.492 0.210 -25.798 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 543 . 1 1 32 ILE HG13 H 12.695 1.477 -27.010 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 544 . 1 1 32 ILE HG21 H 15.760 0.121 -24.438 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 545 . 1 1 32 ILE HG22 H 15.437 -0.990 -25.767 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 546 . 1 1 32 ILE HG23 H 14.184 -0.659 -24.573 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 547 . 1 1 32 ILE N N 15.715 2.607 -24.656 . . . 1.0 . . . . . . . . . . . . A . 32 ILE N . . . . . . . . . rr_2n28 1
. 1 . 548 . 1 1 32 ILE O O 13.698 1.102 -23.118 . . . 1.0 . . . . . . . . . . . . A . 32 ILE O . . . . . . . . . rr_2n28 1
. 1 . 549 . 1 1 33 LEU C C 10.676 1.239 -22.909 . . . 1.0 . . . . . . . . . . . . A . 33 LEU C . . . . . . . . . rr_2n28 1
. 1 . 550 . 1 1 33 LEU CA C 11.383 2.589 -22.840 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CA . . . . . . . . . rr_2n28 1
. 1 . 551 . 1 1 33 LEU CB C 10.342 3.709 -22.937 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CB . . . . . . . . . rr_2n28 1
. 1 . 552 . 1 1 33 LEU CD1 C 9.990 6.182 -22.938 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CD1 . . . . . . . . . rr_2n28 1
. 1 . 553 . 1 1 33 LEU CD2 C 11.341 5.134 -21.095 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CD2 . . . . . . . . . rr_2n28 1
. 1 . 554 . 1 1 33 LEU CG C 10.981 5.065 -22.596 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CG . . . . . . . . . rr_2n28 1
. 1 . 555 . 1 1 33 LEU H H 12.213 3.398 -24.615 . . . 1.0 . . . . . . . . . . . . A . 33 LEU H . . . . . . . . . rr_2n28 1
. 1 . 556 . 1 1 33 LEU HA H 11.891 2.666 -21.893 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HA . . . . . . . . . rr_2n28 1
. 1 . 557 . 1 1 33 LEU HB2 H 9.951 3.743 -23.944 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HB2 . . . . . . . . . rr_2n28 1
. 1 . 558 . 1 1 33 LEU HB3 H 9.533 3.509 -22.250 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HB3 . . . . . . . . . rr_2n28 1
. 1 . 559 . 1 1 33 LEU HD11 H 10.404 7.134 -22.642 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD11 . . . . . . . . . rr_2n28 1
. 1 . 560 . 1 1 33 LEU HD12 H 9.062 6.014 -22.412 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD12 . . . . . . . . . rr_2n28 1
. 1 . 561 . 1 1 33 LEU HD13 H 9.805 6.185 -24.002 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD13 . . . . . . . . . rr_2n28 1
. 1 . 562 . 1 1 33 LEU HD21 H 10.617 4.581 -20.516 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD21 . . . . . . . . . rr_2n28 1
. 1 . 563 . 1 1 33 LEU HD22 H 11.347 6.165 -20.769 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD22 . . . . . . . . . rr_2n28 1
. 1 . 564 . 1 1 33 LEU HD23 H 12.323 4.713 -20.941 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD23 . . . . . . . . . rr_2n28 1
. 1 . 565 . 1 1 33 LEU HG H 11.877 5.192 -23.188 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HG . . . . . . . . . rr_2n28 1
. 1 . 566 . 1 1 33 LEU N N 12.358 2.726 -23.916 . . . 1.0 . . . . . . . . . . . . A . 33 LEU N . . . . . . . . . rr_2n28 1
. 1 . 567 . 1 1 33 LEU O O 10.442 0.598 -21.886 . . . 1.0 . . . . . . . . . . . . A . 33 LEU O . . . . . . . . . rr_2n28 1
. 1 . 568 . 1 1 34 ARG C C 8.281 -0.463 -23.594 . . . 1.0 . . . . . . . . . . . . A . 34 ARG C . . . . . . . . . rr_2n28 1
. 1 . 569 . 1 1 34 ARG CA C 9.643 -0.464 -24.304 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CA . . . . . . . . . rr_2n28 1
. 1 . 570 . 1 1 34 ARG CB C 10.514 -1.599 -23.752 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CB . . . . . . . . . rr_2n28 1
. 1 . 571 . 1 1 34 ARG CD C 10.785 -4.079 -23.613 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CD . . . . . . . . . rr_2n28 1
. 1 . 572 . 1 1 34 ARG CG C 10.084 -2.940 -24.355 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CG . . . . . . . . . rr_2n28 1
. 1 . 573 . 1 1 34 ARG CZ C 10.838 -4.990 -21.363 . . . 1.0 . . . . . . . . . . . . A . 34 ARG CZ . . . . . . . . . rr_2n28 1
. 1 . 574 . 1 1 34 ARG H H 10.537 1.366 -24.902 . . . 1.0 . . . . . . . . . . . . A . 34 ARG H . . . . . . . . . rr_2n28 1
. 1 . 575 . 1 1 34 ARG HA H 9.487 -0.627 -25.361 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HA . . . . . . . . . rr_2n28 1
. 1 . 576 . 1 1 34 ARG HB2 H 11.547 -1.410 -24.006 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HB2 . . . . . . . . . rr_2n28 1
. 1 . 577 . 1 1 34 ARG HB3 H 10.413 -1.642 -22.677 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HB3 . . . . . . . . . rr_2n28 1
. 1 . 578 . 1 1 34 ARG HD2 H 10.615 -5.007 -24.140 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HD2 . . . . . . . . . rr_2n28 1
. 1 . 579 . 1 1 34 ARG HD3 H 11.846 -3.880 -23.575 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HD3 . . . . . . . . . rr_2n28 1
. 1 . 580 . 1 1 34 ARG HE H 9.473 -3.673 -22.000 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HE . . . . . . . . . rr_2n28 1
. 1 . 581 . 1 1 34 ARG HG2 H 9.015 -3.053 -24.262 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HG2 . . . . . . . . . rr_2n28 1
. 1 . 582 . 1 1 34 ARG HG3 H 10.361 -2.970 -25.397 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HG3 . . . . . . . . . rr_2n28 1
. 1 . 583 . 1 1 34 ARG HH11 H 12.262 -5.626 -22.618 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HH11 . . . . . . . . . rr_2n28 1
. 1 . 584 . 1 1 34 ARG HH12 H 12.322 -6.289 -21.019 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HH12 . . . . . . . . . rr_2n28 1
. 1 . 585 . 1 1 34 ARG HH21 H 9.546 -4.537 -19.902 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HH21 . . . . . . . . . rr_2n28 1
. 1 . 586 . 1 1 34 ARG HH22 H 10.785 -5.673 -19.481 . . . 1.0 . . . . . . . . . . . . A . 34 ARG HH22 . . . . . . . . . rr_2n28 1
. 1 . 587 . 1 1 34 ARG N N 10.331 0.812 -24.120 . . . 1.0 . . . . . . . . . . . . A . 34 ARG N . . . . . . . . . rr_2n28 1
. 1 . 588 . 1 1 34 ARG NE N 10.262 -4.193 -22.257 . . . 1.0 . . . . . . . . . . . . A . 34 ARG NE . . . . . . . . . rr_2n28 1
. 1 . 589 . 1 1 34 ARG NH1 N 11.890 -5.690 -21.692 . . . 1.0 . . . . . . . . . . . . A . 34 ARG NH1 . . . . . . . . . rr_2n28 1
. 1 . 590 . 1 1 34 ARG NH2 N 10.352 -5.074 -20.155 . . . 1.0 . . . . . . . . . . . . A . 34 ARG NH2 . . . . . . . . . rr_2n28 1
. 1 . 591 . 1 1 34 ARG O O 7.468 -1.366 -23.790 . . . 1.0 . . . . . . . . . . . . A . 34 ARG O . . . . . . . . . rr_2n28 1
. 1 . 592 . 1 1 35 GLN C C 5.592 0.839 -22.950 . . . 1.0 . . . . . . . . . . . . A . 35 GLN C . . . . . . . . . rr_2n28 1
. 1 . 593 . 1 1 35 GLN CA C 6.791 0.665 -22.023 . . . 1.0 . . . . . . . . . . . . A . 35 GLN CA . . . . . . . . . rr_2n28 1
. 1 . 594 . 1 1 35 GLN CB C 6.862 1.853 -21.061 . . . 1.0 . . . . . . . . . . . . A . 35 GLN CB . . . . . . . . . rr_2n28 1
. 1 . 595 . 1 1 35 GLN CD C 8.076 2.786 -19.083 . . . 1.0 . . . . . . . . . . . . A . 35 GLN CD . . . . . . . . . rr_2n28 1
. 1 . 596 . 1 1 35 GLN CG C 7.839 1.539 -19.928 . . . 1.0 . . . . . . . . . . . . A . 35 GLN CG . . . . . . . . . rr_2n28 1
. 1 . 597 . 1 1 35 GLN H H 8.722 1.240 -22.639 . . . 1.0 . . . . . . . . . . . . A . 35 GLN H . . . . . . . . . rr_2n28 1
. 1 . 598 . 1 1 35 GLN HA H 6.652 -0.234 -21.443 . . . 1.0 . . . . . . . . . . . . A . 35 GLN HA . . . . . . . . . rr_2n28 1
. 1 . 599 . 1 1 35 GLN HB2 H 7.199 2.729 -21.597 . . . 1.0 . . . . . . . . . . . . A . 35 GLN HB2 . . . . . . . . . rr_2n28 1
. 1 . 600 . 1 1 35 GLN HB3 H 5.882 2.041 -20.647 . . . 1.0 . . . . . . . . . . . . A . 35 GLN HB3 . . . . . . . . . rr_2n28 1
. 1 . 601 . 1 1 35 GLN HE21 H 8.435 1.767 -17.416 . . . 1.0 . . . . . . . . . . . . A . 35 GLN HE21 . . . . . . . . . rr_2n28 1
. 1 . 602 . 1 1 35 GLN HE22 H 8.522 3.456 -17.267 . . . 1.0 . . . . . . . . . . . . A . 35 GLN HE22 . . . . . . . . . rr_2n28 1
. 1 . 603 . 1 1 35 GLN HG2 H 7.428 0.757 -19.306 . . . 1.0 . . . . . . . . . . . . A . 35 GLN HG2 . . . . . . . . . rr_2n28 1
. 1 . 604 . 1 1 35 GLN HG3 H 8.778 1.208 -20.345 . . . 1.0 . . . . . . . . . . . . A . 35 GLN HG3 . . . . . . . . . rr_2n28 1
. 1 . 605 . 1 1 35 GLN N N 8.043 0.553 -22.766 . . . 1.0 . . . . . . . . . . . . A . 35 GLN N . . . . . . . . . rr_2n28 1
. 1 . 606 . 1 1 35 GLN NE2 N 8.368 2.659 -17.817 . . . 1.0 . . . . . . . . . . . . A . 35 GLN NE2 . . . . . . . . . rr_2n28 1
. 1 . 607 . 1 1 35 GLN O O 4.510 0.322 -22.679 . . . 1.0 . . . . . . . . . . . . A . 35 GLN O . . . . . . . . . rr_2n28 1
. 1 . 608 . 1 1 35 GLN OE1 O 7.992 3.905 -19.588 . . . 1.0 . . . . . . . . . . . . A . 35 GLN OE1 . . . . . . . . . rr_2n28 1
. 1 . 609 . 1 1 36 ARG C C 4.137 0.545 -25.537 . . . 1.0 . . . . . . . . . . . . A . 36 ARG C . . . . . . . . . rr_2n28 1
. 1 . 610 . 1 1 36 ARG CA C 4.673 1.850 -24.950 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CA . . . . . . . . . rr_2n28 1
. 1 . 611 . 1 1 36 ARG CB C 5.116 2.798 -26.064 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CB . . . . . . . . . rr_2n28 1
. 1 . 612 . 1 1 36 ARG CD C 6.008 5.085 -26.539 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CD . . . . . . . . . rr_2n28 1
. 1 . 613 . 1 1 36 ARG CG C 5.357 4.192 -25.481 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CG . . . . . . . . . rr_2n28 1
. 1 . 614 . 1 1 36 ARG CZ C 8.103 5.201 -27.764 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CZ . . . . . . . . . rr_2n28 1
. 1 . 615 . 1 1 36 ARG H H 6.647 2.007 -24.186 . . . 1.0 . . . . . . . . . . . . A . 36 ARG H . . . . . . . . . rr_2n28 1
. 1 . 616 . 1 1 36 ARG HA H 3.882 2.310 -24.379 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HA . . . . . . . . . rr_2n28 1
. 1 . 617 . 1 1 36 ARG HB2 H 6.030 2.430 -26.509 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HB2 . . . . . . . . . rr_2n28 1
. 1 . 618 . 1 1 36 ARG HB3 H 4.346 2.855 -26.819 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HB3 . . . . . . . . . rr_2n28 1
. 1 . 619 . 1 1 36 ARG HD2 H 5.417 5.060 -27.441 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HD2 . . . . . . . . . rr_2n28 1
. 1 . 620 . 1 1 36 ARG HD3 H 6.054 6.100 -26.170 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HD3 . . . . . . . . . rr_2n28 1
. 1 . 621 . 1 1 36 ARG HE H 7.719 3.851 -26.338 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HE . . . . . . . . . rr_2n28 1
. 1 . 622 . 1 1 36 ARG HG2 H 4.413 4.623 -25.177 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HG2 . . . . . . . . . rr_2n28 1
. 1 . 623 . 1 1 36 ARG HG3 H 6.011 4.116 -24.626 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HG3 . . . . . . . . . rr_2n28 1
. 1 . 624 . 1 1 36 ARG HH11 H 6.710 6.558 -28.243 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HH11 . . . . . . . . . rr_2n28 1
. 1 . 625 . 1 1 36 ARG HH12 H 8.193 6.661 -29.131 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HH12 . . . . . . . . . rr_2n28 1
. 1 . 626 . 1 1 36 ARG HH21 H 9.666 3.981 -27.496 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HH21 . . . . . . . . . rr_2n28 1
. 1 . 627 . 1 1 36 ARG HH22 H 9.868 5.202 -28.708 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HH22 . . . . . . . . . rr_2n28 1
. 1 . 628 . 1 1 36 ARG N N 5.773 1.594 -24.026 . . . 1.0 . . . . . . . . . . . . A . 36 ARG N . . . . . . . . . rr_2n28 1
. 1 . 629 . 1 1 36 ARG NE N 7.357 4.615 -26.833 . . . 1.0 . . . . . . . . . . . . A . 36 ARG NE . . . . . . . . . rr_2n28 1
. 1 . 630 . 1 1 36 ARG NH1 N 7.632 6.219 -28.431 . . . 1.0 . . . . . . . . . . . . A . 36 ARG NH1 . . . . . . . . . rr_2n28 1
. 1 . 631 . 1 1 36 ARG NH2 N 9.306 4.761 -28.009 . . . 1.0 . . . . . . . . . . . . A . 36 ARG NH2 . . . . . . . . . rr_2n28 1
. 1 . 632 . 1 1 36 ARG O O 2.949 0.437 -25.836 . . . 1.0 . . . . . . . . . . . . A . 36 ARG O . . . . . . . . . rr_2n28 1
. 1 . 633 . 1 1 37 LYS C C 3.488 -2.331 -25.327 . . . 1.0 . . . . . . . . . . . . A . 37 LYS C . . . . . . . . . rr_2n28 1
. 1 . 634 . 1 1 37 LYS CA C 4.564 -1.732 -26.233 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CA . . . . . . . . . rr_2n28 1
. 1 . 635 . 1 1 37 LYS CB C 5.747 -2.695 -26.340 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CB . . . . . . . . . rr_2n28 1
. 1 . 636 . 1 1 37 LYS CD C 7.867 -3.196 -27.564 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CD . . . . . . . . . rr_2n28 1
. 1 . 637 . 1 1 37 LYS CE C 8.825 -2.709 -28.652 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CE . . . . . . . . . rr_2n28 1
. 1 . 638 . 1 1 37 LYS CG C 6.691 -2.224 -27.448 . . . 1.0 . . . . . . . . . . . . A . 37 LYS CG . . . . . . . . . rr_2n28 1
. 1 . 639 . 1 1 37 LYS H H 5.939 -0.324 -25.429 . . . 1.0 . . . . . . . . . . . . A . 37 LYS H . . . . . . . . . rr_2n28 1
. 1 . 640 . 1 1 37 LYS HA H 4.149 -1.575 -27.216 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HA . . . . . . . . . rr_2n28 1
. 1 . 641 . 1 1 37 LYS HB2 H 6.278 -2.719 -25.399 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HB2 . . . . . . . . . rr_2n28 1
. 1 . 642 . 1 1 37 LYS HB3 H 5.385 -3.685 -26.574 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HB3 . . . . . . . . . rr_2n28 1
. 1 . 643 . 1 1 37 LYS HD2 H 8.387 -3.244 -26.619 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HD2 . . . . . . . . . rr_2n28 1
. 1 . 644 . 1 1 37 LYS HD3 H 7.499 -4.177 -27.823 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HD3 . . . . . . . . . rr_2n28 1
. 1 . 645 . 1 1 37 LYS HE2 H 9.158 -1.709 -28.419 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HE2 . . . . . . . . . rr_2n28 1
. 1 . 646 . 1 1 37 LYS HE3 H 9.678 -3.370 -28.701 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HE3 . . . . . . . . . rr_2n28 1
. 1 . 647 . 1 1 37 LYS HG2 H 6.156 -2.190 -28.385 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HG2 . . . . . . . . . rr_2n28 1
. 1 . 648 . 1 1 37 LYS HG3 H 7.062 -1.239 -27.209 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HG3 . . . . . . . . . rr_2n28 1
. 1 . 649 . 1 1 37 LYS HZ1 H 8.767 -3.055 -30.705 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HZ1 . . . . . . . . . rr_2n28 1
. 1 . 650 . 1 1 37 LYS HZ2 H 7.823 -1.737 -30.197 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HZ2 . . . . . . . . . rr_2n28 1
. 1 . 651 . 1 1 37 LYS HZ3 H 7.290 -3.326 -29.917 . . . 1.0 . . . . . . . . . . . . A . 37 LYS HZ3 . . . . . . . . . rr_2n28 1
. 1 . 652 . 1 1 37 LYS N N 5.003 -0.448 -25.693 . . . 1.0 . . . . . . . . . . . . A . 37 LYS N . . . . . . . . . rr_2n28 1
. 1 . 653 . 1 1 37 LYS NZ N 8.123 -2.707 -29.967 . . . 1.0 . . . . . . . . . . . . A . 37 LYS NZ . . . . . . . . . rr_2n28 1
. 1 . 654 . 1 1 37 LYS O O 2.513 -2.908 -25.803 . . . 1.0 . . . . . . . . . . . . A . 37 LYS O . . . . . . . . . rr_2n28 1
. 1 . 655 . 1 1 38 ILE C C 1.350 -1.990 -23.238 . . . 1.0 . . . . . . . . . . . . A . 38 ILE C . . . . . . . . . rr_2n28 1
. 1 . 656 . 1 1 38 ILE CA C 2.701 -2.681 -23.047 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 657 . 1 1 38 ILE CB C 3.214 -2.444 -21.622 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 658 . 1 1 38 ILE CD1 C 5.122 -2.894 -20.071 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 659 . 1 1 38 ILE CG1 C 4.444 -3.320 -21.374 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 660 . 1 1 38 ILE CG2 C 2.122 -2.814 -20.613 . . . 1.0 . . . . . . . . . . . . A . 38 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 661 . 1 1 38 ILE H H 4.461 -1.693 -23.701 . . . 1.0 . . . . . . . . . . . . A . 38 ILE H . . . . . . . . . rr_2n28 1
. 1 . 662 . 1 1 38 ILE HA H 2.572 -3.744 -23.196 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 663 . 1 1 38 ILE HB H 3.477 -1.406 -21.500 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 664 . 1 1 38 ILE HD11 H 4.449 -3.060 -19.243 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 665 . 1 1 38 ILE HD12 H 5.376 -1.845 -20.123 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 666 . 1 1 38 ILE HD13 H 6.021 -3.475 -19.925 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 667 . 1 1 38 ILE HG12 H 4.139 -4.355 -21.300 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 668 . 1 1 38 ILE HG13 H 5.139 -3.207 -22.192 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 669 . 1 1 38 ILE HG21 H 1.348 -2.062 -20.628 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 670 . 1 1 38 ILE HG22 H 2.551 -2.868 -19.622 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 671 . 1 1 38 ILE HG23 H 1.700 -3.772 -20.875 . . . 1.0 . . . . . . . . . . . . A . 38 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 672 . 1 1 38 ILE N N 3.668 -2.173 -24.019 . . . 1.0 . . . . . . . . . . . . A . 38 ILE N . . . . . . . . . rr_2n28 1
. 1 . 673 . 1 1 38 ILE O O 0.297 -2.614 -23.120 . . . 1.0 . . . . . . . . . . . . A . 38 ILE O . . . . . . . . . rr_2n28 1
. 1 . 674 . 1 1 39 ASP C C -0.624 -0.414 -24.902 . . . 1.0 . . . . . . . . . . . . A . 39 ASP C . . . . . . . . . rr_2n28 1
. 1 . 675 . 1 1 39 ASP CA C 0.183 0.100 -23.711 . . . 1.0 . . . . . . . . . . . . A . 39 ASP CA . . . . . . . . . rr_2n28 1
. 1 . 676 . 1 1 39 ASP CB C 0.542 1.572 -23.931 . . . 1.0 . . . . . . . . . . . . A . 39 ASP CB . . . . . . . . . rr_2n28 1
. 1 . 677 . 1 1 39 ASP CG C 1.041 2.188 -22.628 . . . 1.0 . . . . . . . . . . . . A . 39 ASP CG . . . . . . . . . rr_2n28 1
. 1 . 678 . 1 1 39 ASP H H 2.270 -0.251 -23.590 . . . 1.0 . . . . . . . . . . . . A . 39 ASP H . . . . . . . . . rr_2n28 1
. 1 . 679 . 1 1 39 ASP HA H -0.424 0.022 -22.823 . . . 1.0 . . . . . . . . . . . . A . 39 ASP HA . . . . . . . . . rr_2n28 1
. 1 . 680 . 1 1 39 ASP HB2 H 1.313 1.647 -24.681 . . . 1.0 . . . . . . . . . . . . A . 39 ASP HB2 . . . . . . . . . rr_2n28 1
. 1 . 681 . 1 1 39 ASP HB3 H -0.335 2.107 -24.264 . . . 1.0 . . . . . . . . . . . . A . 39 ASP HB3 . . . . . . . . . rr_2n28 1
. 1 . 682 . 1 1 39 ASP N N 1.398 -0.691 -23.519 . . . 1.0 . . . . . . . . . . . . A . 39 ASP N . . . . . . . . . rr_2n28 1
. 1 . 683 . 1 1 39 ASP O O -1.801 -0.087 -25.047 . . . 1.0 . . . . . . . . . . . . A . 39 ASP O . . . . . . . . . rr_2n28 1
. 1 . 684 . 1 1 39 ASP OD1 O 0.861 1.567 -21.594 . . . 1.0 . . . . . . . . . . . . A . 39 ASP OD1 . . . . . . . . . rr_2n28 1
. 1 . 685 . 1 1 39 ASP OD2 O 1.597 3.273 -22.684 . . . 1.0 . . . . . . . . . . . . A . 39 ASP OD2 . . . . . . . . . rr_2n28 1
. 1 . 686 . 1 1 40 ARG C C -1.485 -3.022 -26.466 . . . 1.0 . . . . . . . . . . . . A . 40 ARG C . . . . . . . . . rr_2n28 1
. 1 . 687 . 1 1 40 ARG CA C -0.693 -1.792 -26.900 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CA . . . . . . . . . rr_2n28 1
. 1 . 688 . 1 1 40 ARG CB C 0.309 -2.179 -27.990 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CB . . . . . . . . . rr_2n28 1
. 1 . 689 . 1 1 40 ARG CD C 2.033 -1.313 -29.576 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CD . . . . . . . . . rr_2n28 1
. 1 . 690 . 1 1 40 ARG CG C 1.055 -0.931 -28.465 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CG . . . . . . . . . rr_2n28 1
. 1 . 691 . 1 1 40 ARG CZ C 0.795 -0.864 -31.618 . . . 1.0 . . . . . . . . . . . . A . 40 ARG CZ . . . . . . . . . rr_2n28 1
. 1 . 692 . 1 1 40 ARG H H 0.935 -1.481 -25.556 . . . 1.0 . . . . . . . . . . . . A . 40 ARG H . . . . . . . . . rr_2n28 1
. 1 . 693 . 1 1 40 ARG HA H -1.376 -1.053 -27.295 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HA . . . . . . . . . rr_2n28 1
. 1 . 694 . 1 1 40 ARG HB2 H 1.014 -2.895 -27.595 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HB2 . . . . . . . . . rr_2n28 1
. 1 . 695 . 1 1 40 ARG HB3 H -0.219 -2.619 -28.823 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HB3 . . . . . . . . . rr_2n28 1
. 1 . 696 . 1 1 40 ARG HD2 H 2.645 -0.458 -29.825 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HD2 . . . . . . . . . rr_2n28 1
. 1 . 697 . 1 1 40 ARG HD3 H 2.669 -2.116 -29.231 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HD3 . . . . . . . . . rr_2n28 1
. 1 . 698 . 1 1 40 ARG HE H 1.189 -2.703 -30.934 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HE . . . . . . . . . rr_2n28 1
. 1 . 699 . 1 1 40 ARG HG2 H 0.344 -0.210 -28.842 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HG2 . . . . . . . . . rr_2n28 1
. 1 . 700 . 1 1 40 ARG HG3 H 1.601 -0.501 -27.639 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HG3 . . . . . . . . . rr_2n28 1
. 1 . 701 . 1 1 40 ARG HH11 H 1.440 0.731 -30.593 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HH11 . . . . . . . . . rr_2n28 1
. 1 . 702 . 1 1 40 ARG HH12 H 0.560 1.078 -32.044 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HH12 . . . . . . . . . rr_2n28 1
. 1 . 703 . 1 1 40 ARG HH21 H 0.033 -2.256 -32.839 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HH21 . . . . . . . . . rr_2n28 1
. 1 . 704 . 1 1 40 ARG HH22 H -0.236 -0.613 -33.316 . . . 1.0 . . . . . . . . . . . . A . 40 ARG HH22 . . . . . . . . . rr_2n28 1
. 1 . 705 . 1 1 40 ARG N N 0.004 -1.233 -25.741 . . . 1.0 . . . . . . . . . . . . A . 40 ARG N . . . . . . . . . rr_2n28 1
. 1 . 706 . 1 1 40 ARG NE N 1.305 -1.746 -30.764 . . . 1.0 . . . . . . . . . . . . A . 40 ARG NE . . . . . . . . . rr_2n28 1
. 1 . 707 . 1 1 40 ARG NH1 N 0.943 0.415 -31.401 . . . 1.0 . . . . . . . . . . . . A . 40 ARG NH1 . . . . . . . . . rr_2n28 1
. 1 . 708 . 1 1 40 ARG NH2 N 0.147 -1.277 -32.672 . . . 1.0 . . . . . . . . . . . . A . 40 ARG NH2 . . . . . . . . . rr_2n28 1
. 1 . 709 . 1 1 40 ARG O O -2.327 -3.532 -27.205 . . . 1.0 . . . . . . . . . . . . A . 40 ARG O . . . . . . . . . rr_2n28 1
. 1 . 710 . 1 1 41 LEU C C -3.401 -4.450 -24.768 . . . 1.0 . . . . . . . . . . . . A . 41 LEU C . . . . . . . . . rr_2n28 1
. 1 . 711 . 1 1 41 LEU CA C -1.904 -4.627 -24.685 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CA . . . . . . . . . rr_2n28 1
. 1 . 712 . 1 1 41 LEU CB C -1.453 -4.858 -23.214 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CB . . . . . . . . . rr_2n28 1
. 1 . 713 . 1 1 41 LEU CD1 C 0.298 -5.376 -21.461 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CD1 . . . . . . . . . rr_2n28 1
. 1 . 714 . 1 1 41 LEU CD2 C 0.226 -6.780 -23.544 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CD2 . . . . . . . . . rr_2n28 1
. 1 . 715 . 1 1 41 LEU CG C -0.010 -5.375 -22.965 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CG . . . . . . . . . rr_2n28 1
. 1 . 716 . 1 1 41 LEU H H -0.509 -3.029 -24.727 . . . 1.0 . . . . . . . . . . . . A . 41 LEU H . . . . . . . . . rr_2n28 1
. 1 . 717 . 1 1 41 LEU HA H -1.664 -5.520 -25.290 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HA . . . . . . . . . rr_2n28 1
. 1 . 718 . 1 1 41 LEU HB2 H -1.582 -3.912 -22.651 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HB2 . . . . . . . . . rr_2n28 1
. 1 . 719 . 1 1 41 LEU HB3 H -2.162 -5.563 -22.737 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HB3 . . . . . . . . . rr_2n28 1
. 1 . 720 . 1 1 41 LEU HD11 H 0.179 -4.370 -21.016 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD11 . . . . . . . . . rr_2n28 1
. 1 . 721 . 1 1 41 LEU HD12 H -0.364 -6.061 -20.898 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD12 . . . . . . . . . rr_2n28 1
. 1 . 722 . 1 1 41 LEU HD13 H 1.338 -5.690 -21.259 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD13 . . . . . . . . . rr_2n28 1
. 1 . 723 . 1 1 41 LEU HD21 H 1.242 -7.154 -23.320 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD21 . . . . . . . . . rr_2n28 1
. 1 . 724 . 1 1 41 LEU HD22 H -0.497 -7.520 -23.155 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD22 . . . . . . . . . rr_2n28 1
. 1 . 725 . 1 1 41 LEU HD23 H 0.136 -6.780 -24.646 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD23 . . . . . . . . . rr_2n28 1
. 1 . 726 . 1 1 41 LEU HG H 0.697 -4.674 -23.457 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HG . . . . . . . . . rr_2n28 1
. 1 . 727 . 1 1 41 LEU N N -1.209 -3.479 -25.260 . . . 1.0 . . . . . . . . . . . . A . 41 LEU N . . . . . . . . . rr_2n28 1
. 1 . 728 . 1 1 41 LEU O O -4.149 -5.397 -25.005 . . . 1.0 . . . . . . . . . . . . A . 41 LEU O . . . . . . . . . rr_2n28 1
. 1 . 729 . 1 1 42 ILE C C -5.871 -3.198 -25.913 . . . 1.0 . . . . . . . . . . . . A . 42 ILE C . . . . . . . . . rr_2n28 1
. 1 . 730 . 1 1 42 ILE CA C -5.273 -2.912 -24.536 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 731 . 1 1 42 ILE CB C -5.488 -1.439 -24.169 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 732 . 1 1 42 ILE CD1 C -5.055 0.274 -22.399 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 733 . 1 1 42 ILE CG1 C -5.117 -1.226 -22.700 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 734 . 1 1 42 ILE CG2 C -6.958 -1.059 -24.378 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 735 . 1 1 42 ILE H H -3.208 -2.509 -24.307 . . . 1.0 . . . . . . . . . . . . A . 42 ILE H . . . . . . . . . rr_2n28 1
. 1 . 736 . 1 1 42 ILE HA H -5.774 -3.527 -23.804 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 737 . 1 1 42 ILE HB H -4.863 -0.818 -24.795 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 738 . 1 1 42 ILE HD11 H -4.252 0.721 -22.965 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 739 . 1 1 42 ILE HD12 H -4.879 0.422 -21.344 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 740 . 1 1 42 ILE HD13 H -5.992 0.735 -22.677 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 741 . 1 1 42 ILE HG12 H -5.863 -1.688 -22.070 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 742 . 1 1 42 ILE HG13 H -4.153 -1.670 -22.504 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 743 . 1 1 42 ILE HG21 H -7.161 -0.976 -25.436 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 744 . 1 1 42 ILE HG22 H -7.157 -0.113 -23.899 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 745 . 1 1 42 ILE HG23 H -7.591 -1.821 -23.948 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 746 . 1 1 42 ILE N N -3.848 -3.221 -24.516 . . . 1.0 . . . . . . . . . . . . A . 42 ILE N . . . . . . . . . rr_2n28 1
. 1 . 747 . 1 1 42 ILE O O -6.961 -3.759 -26.019 . . . 1.0 . . . . . . . . . . . . A . 42 ILE O . . . . . . . . . rr_2n28 1
. 1 . 748 . 1 1 43 ASP C C -5.841 -4.507 -28.598 . . . 1.0 . . . . . . . . . . . . A . 43 ASP C . . . . . . . . . rr_2n28 1
. 1 . 749 . 1 1 43 ASP CA C -5.641 -3.019 -28.324 . . . 1.0 . . . . . . . . . . . . A . 43 ASP CA . . . . . . . . . rr_2n28 1
. 1 . 750 . 1 1 43 ASP CB C -4.649 -2.437 -29.332 . . . 1.0 . . . . . . . . . . . . A . 43 ASP CB . . . . . . . . . rr_2n28 1
. 1 . 751 . 1 1 43 ASP CG C -5.202 -2.574 -30.746 . . . 1.0 . . . . . . . . . . . . A . 43 ASP CG . . . . . . . . . rr_2n28 1
. 1 . 752 . 1 1 43 ASP H H -4.297 -2.357 -26.826 . . . 1.0 . . . . . . . . . . . . A . 43 ASP H . . . . . . . . . rr_2n28 1
. 1 . 753 . 1 1 43 ASP HA H -6.589 -2.515 -28.434 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HA . . . . . . . . . rr_2n28 1
. 1 . 754 . 1 1 43 ASP HB2 H -4.484 -1.392 -29.110 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HB2 . . . . . . . . . rr_2n28 1
. 1 . 755 . 1 1 43 ASP HB3 H -3.712 -2.970 -29.261 . . . 1.0 . . . . . . . . . . . . A . 43 ASP HB3 . . . . . . . . . rr_2n28 1
. 1 . 756 . 1 1 43 ASP N N -5.158 -2.804 -26.963 . . . 1.0 . . . . . . . . . . . . A . 43 ASP N . . . . . . . . . rr_2n28 1
. 1 . 757 . 1 1 43 ASP O O -6.811 -4.901 -29.247 . . . 1.0 . . . . . . . . . . . . A . 43 ASP O . . . . . . . . . rr_2n28 1
. 1 . 758 . 1 1 43 ASP OD1 O -6.220 -3.228 -30.902 . . . 1.0 . . . . . . . . . . . . A . 43 ASP OD1 . . . . . . . . . rr_2n28 1
. 1 . 759 . 1 1 43 ASP OD2 O -4.599 -2.022 -31.652 . . . 1.0 . . . . . . . . . . . . A . 43 ASP OD2 . . . . . . . . . rr_2n28 1
. 1 . 760 . 1 1 44 ARG C C -6.282 -7.330 -27.648 . . . 1.0 . . . . . . . . . . . . A . 44 ARG C . . . . . . . . . rr_2n28 1
. 1 . 761 . 1 1 44 ARG CA C -5.021 -6.772 -28.304 . . . 1.0 . . . . . . . . . . . . A . 44 ARG CA . . . . . . . . . rr_2n28 1
. 1 . 762 . 1 1 44 ARG CB C -3.782 -7.486 -27.760 . . . 1.0 . . . . . . . . . . . . A . 44 ARG CB . . . . . . . . . rr_2n28 1
. 1 . 763 . 1 1 44 ARG CD C -1.382 -8.015 -28.210 . . . 1.0 . . . . . . . . . . . . A . 44 ARG CD . . . . . . . . . rr_2n28 1
. 1 . 764 . 1 1 44 ARG CG C -2.579 -7.171 -28.652 . . . 1.0 . . . . . . . . . . . . A . 44 ARG CG . . . . . . . . . rr_2n28 1
. 1 . 765 . 1 1 44 ARG CZ C -0.019 -8.308 -26.223 . . . 1.0 . . . . . . . . . . . . A . 44 ARG CZ . . . . . . . . . rr_2n28 1
. 1 . 766 . 1 1 44 ARG H H -4.175 -4.964 -27.588 . . . 1.0 . . . . . . . . . . . . A . 44 ARG H . . . . . . . . . rr_2n28 1
. 1 . 767 . 1 1 44 ARG HA H -5.111 -6.974 -29.361 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HA . . . . . . . . . rr_2n28 1
. 1 . 768 . 1 1 44 ARG HB2 H -3.585 -7.146 -26.754 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HB2 . . . . . . . . . rr_2n28 1
. 1 . 769 . 1 1 44 ARG HB3 H -3.954 -8.551 -27.754 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HB3 . . . . . . . . . rr_2n28 1
. 1 . 770 . 1 1 44 ARG HD2 H -1.665 -9.056 -28.192 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HD2 . . . . . . . . . rr_2n28 1
. 1 . 771 . 1 1 44 ARG HD3 H -0.571 -7.879 -28.913 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HD3 . . . . . . . . . rr_2n28 1
. 1 . 772 . 1 1 44 ARG HE H -1.336 -6.820 -26.462 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HE . . . . . . . . . rr_2n28 1
. 1 . 773 . 1 1 44 ARG HG2 H -2.823 -7.400 -29.679 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HG2 . . . . . . . . . rr_2n28 1
. 1 . 774 . 1 1 44 ARG HG3 H -2.330 -6.124 -28.565 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HG3 . . . . . . . . . rr_2n28 1
. 1 . 775 . 1 1 44 ARG HH11 H 0.221 -9.660 -27.681 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HH11 . . . . . . . . . rr_2n28 1
. 1 . 776 . 1 1 44 ARG HH12 H 1.205 -9.891 -26.275 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HH12 . . . . . . . . . rr_2n28 1
. 1 . 777 . 1 1 44 ARG HH21 H -0.049 -7.117 -24.614 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HH21 . . . . . . . . . rr_2n28 1
. 1 . 778 . 1 1 44 ARG HH22 H 1.052 -8.453 -24.538 . . . 1.0 . . . . . . . . . . . . A . 44 ARG HH22 . . . . . . . . . rr_2n28 1
. 1 . 779 . 1 1 44 ARG N N -4.924 -5.330 -28.102 . . . 1.0 . . . . . . . . . . . . A . 44 ARG N . . . . . . . . . rr_2n28 1
. 1 . 780 . 1 1 44 ARG NE N -0.943 -7.614 -26.880 . . . 1.0 . . . . . . . . . . . . A . 44 ARG NE . . . . . . . . . rr_2n28 1
. 1 . 781 . 1 1 44 ARG NH1 N 0.510 -9.368 -26.769 . . . 1.0 . . . . . . . . . . . . A . 44 ARG NH1 . . . . . . . . . rr_2n28 1
. 1 . 782 . 1 1 44 ARG NH2 N 0.357 -7.930 -25.032 . . . 1.0 . . . . . . . . . . . . A . 44 ARG NH2 . . . . . . . . . rr_2n28 1
. 1 . 783 . 1 1 44 ARG O O -6.922 -8.220 -28.205 . . . 1.0 . . . . . . . . . . . . A . 44 ARG O . . . . . . . . . rr_2n28 1
. 1 . 784 . 1 1 45 LEU C C -9.050 -7.071 -26.773 . . . 1.0 . . . . . . . . . . . . A . 45 LEU C . . . . . . . . . rr_2n28 1
. 1 . 785 . 1 1 45 LEU CA C -7.868 -7.305 -25.837 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CA . . . . . . . . . rr_2n28 1
. 1 . 786 . 1 1 45 LEU CB C -8.103 -6.567 -24.514 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CB . . . . . . . . . rr_2n28 1
. 1 . 787 . 1 1 45 LEU CD1 C -7.155 -6.053 -22.261 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CD1 . . . . . . . . . rr_2n28 1
. 1 . 788 . 1 1 45 LEU CD2 C -7.224 -8.438 -23.052 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CD2 . . . . . . . . . rr_2n28 1
. 1 . 789 . 1 1 45 LEU CG C -7.036 -6.968 -23.484 . . . 1.0 . . . . . . . . . . . . A . 45 LEU CG . . . . . . . . . rr_2n28 1
. 1 . 790 . 1 1 45 LEU H H -6.134 -6.091 -26.075 . . . 1.0 . . . . . . . . . . . . A . 45 LEU H . . . . . . . . . rr_2n28 1
. 1 . 791 . 1 1 45 LEU HA H -7.769 -8.362 -25.648 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HA . . . . . . . . . rr_2n28 1
. 1 . 792 . 1 1 45 LEU HB2 H -8.049 -5.502 -24.688 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HB2 . . . . . . . . . rr_2n28 1
. 1 . 793 . 1 1 45 LEU HB3 H -9.083 -6.815 -24.133 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HB3 . . . . . . . . . rr_2n28 1
. 1 . 794 . 1 1 45 LEU HD11 H -6.340 -6.251 -21.581 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD11 . . . . . . . . . rr_2n28 1
. 1 . 795 . 1 1 45 LEU HD12 H -8.094 -6.241 -21.761 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD12 . . . . . . . . . rr_2n28 1
. 1 . 796 . 1 1 45 LEU HD13 H -7.117 -5.021 -22.578 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD13 . . . . . . . . . rr_2n28 1
. 1 . 797 . 1 1 45 LEU HD21 H -6.817 -8.582 -22.060 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD21 . . . . . . . . . rr_2n28 1
. 1 . 798 . 1 1 45 LEU HD22 H -6.705 -9.086 -23.741 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD22 . . . . . . . . . rr_2n28 1
. 1 . 799 . 1 1 45 LEU HD23 H -8.275 -8.690 -23.046 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HD23 . . . . . . . . . rr_2n28 1
. 1 . 800 . 1 1 45 LEU HG H -6.056 -6.845 -23.925 . . . 1.0 . . . . . . . . . . . . A . 45 LEU HG . . . . . . . . . rr_2n28 1
. 1 . 801 . 1 1 45 LEU N N -6.659 -6.809 -26.485 . . . 1.0 . . . . . . . . . . . . A . 45 LEU N . . . . . . . . . rr_2n28 1
. 1 . 802 . 1 1 45 LEU O O -9.885 -7.951 -26.975 . . . 1.0 . . . . . . . . . . . . A . 45 LEU O . . . . . . . . . rr_2n28 1
. 1 . 803 . 1 1 46 ILE C C -10.097 -6.453 -29.513 . . . 1.0 . . . . . . . . . . . . A . 46 ILE C . . . . . . . . . rr_2n28 1
. 1 . 804 . 1 1 46 ILE CA C -10.141 -5.523 -28.302 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 805 . 1 1 46 ILE CB C -9.961 -4.070 -28.754 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 806 . 1 1 46 ILE CD1 C -9.792 -1.715 -27.928 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 807 . 1 1 46 ILE CG1 C -10.238 -3.135 -27.573 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 808 . 1 1 46 ILE CG2 C -10.944 -3.754 -29.886 . . . 1.0 . . . . . . . . . . . . A . 46 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 809 . 1 1 46 ILE H H -8.387 -5.228 -27.149 . . . 1.0 . . . . . . . . . . . . A . 46 ILE H . . . . . . . . . rr_2n28 1
. 1 . 810 . 1 1 46 ILE HA H -11.109 -5.625 -27.835 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 811 . 1 1 46 ILE HB H -8.950 -3.922 -29.103 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 812 . 1 1 46 ILE HD11 H -10.209 -1.018 -27.216 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 813 . 1 1 46 ILE HD12 H -10.140 -1.466 -28.920 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 814 . 1 1 46 ILE HD13 H -8.715 -1.657 -27.899 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 815 . 1 1 46 ILE HG12 H -11.295 -3.137 -27.353 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 816 . 1 1 46 ILE HG13 H -9.689 -3.476 -26.708 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 817 . 1 1 46 ILE HG21 H -10.611 -4.234 -30.795 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 818 . 1 1 46 ILE HG22 H -10.987 -2.686 -30.039 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 819 . 1 1 46 ILE HG23 H -11.925 -4.121 -29.624 . . . 1.0 . . . . . . . . . . . . A . 46 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 820 . 1 1 46 ILE N N -9.088 -5.881 -27.358 . . . 1.0 . . . . . . . . . . . . A . 46 ILE N . . . . . . . . . rr_2n28 1
. 1 . 821 . 1 1 46 ILE O O -11.134 -6.932 -29.974 . . . 1.0 . . . . . . . . . . . . A . 46 ILE O . . . . . . . . . rr_2n28 1
. 1 . 822 . 1 1 47 GLU C C -9.241 -8.986 -30.865 . . . 1.0 . . . . . . . . . . . . A . 47 GLU C . . . . . . . . . rr_2n28 1
. 1 . 823 . 1 1 47 GLU CA C -8.742 -7.578 -31.185 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CA . . . . . . . . . rr_2n28 1
. 1 . 824 . 1 1 47 GLU CB C -7.272 -7.630 -31.611 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CB . . . . . . . . . rr_2n28 1
. 1 . 825 . 1 1 47 GLU CD C -5.675 -8.492 -33.334 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CD . . . . . . . . . rr_2n28 1
. 1 . 826 . 1 1 47 GLU CG C -7.125 -8.496 -32.865 . . . 1.0 . . . . . . . . . . . . A . 47 GLU CG . . . . . . . . . rr_2n28 1
. 1 . 827 . 1 1 47 GLU H H -8.103 -6.296 -29.621 . . . 1.0 . . . . . . . . . . . . A . 47 GLU H . . . . . . . . . rr_2n28 1
. 1 . 828 . 1 1 47 GLU HA H -9.329 -7.179 -31.999 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HA . . . . . . . . . rr_2n28 1
. 1 . 829 . 1 1 47 GLU HB2 H -6.924 -6.629 -31.821 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HB2 . . . . . . . . . rr_2n28 1
. 1 . 830 . 1 1 47 GLU HB3 H -6.682 -8.054 -30.812 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HB3 . . . . . . . . . rr_2n28 1
. 1 . 831 . 1 1 47 GLU HG2 H -7.424 -9.509 -32.641 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HG2 . . . . . . . . . rr_2n28 1
. 1 . 832 . 1 1 47 GLU HG3 H -7.755 -8.101 -33.649 . . . 1.0 . . . . . . . . . . . . A . 47 GLU HG3 . . . . . . . . . rr_2n28 1
. 1 . 833 . 1 1 47 GLU N N -8.897 -6.704 -30.026 . . . 1.0 . . . . . . . . . . . . A . 47 GLU N . . . . . . . . . rr_2n28 1
. 1 . 834 . 1 1 47 GLU O O -9.895 -9.623 -31.689 . . . 1.0 . . . . . . . . . . . . A . 47 GLU O . . . . . . . . . rr_2n28 1
. 1 . 835 . 1 1 47 GLU OE1 O -4.867 -7.841 -32.691 . . . 1.0 . . . . . . . . . . . . A . 47 GLU OE1 . . . . . . . . . rr_2n28 1
. 1 . 836 . 1 1 47 GLU OE2 O -5.392 -9.139 -34.328 . . . 1.0 . . . . . . . . . . . . A . 47 GLU OE2 . . . . . . . . . rr_2n28 1
. 1 . 837 . 1 1 48 ARG C C -10.860 -10.885 -29.142 . . . 1.0 . . . . . . . . . . . . A . 48 ARG C . . . . . . . . . rr_2n28 1
. 1 . 838 . 1 1 48 ARG CA C -9.342 -10.805 -29.259 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CA . . . . . . . . . rr_2n28 1
. 1 . 839 . 1 1 48 ARG CB C -8.709 -11.158 -27.912 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CB . . . . . . . . . rr_2n28 1
. 1 . 840 . 1 1 48 ARG CD C -6.543 -11.533 -26.722 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CD . . . . . . . . . rr_2n28 1
. 1 . 841 . 1 1 48 ARG CG C -7.204 -11.374 -28.092 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CG . . . . . . . . . rr_2n28 1
. 1 . 842 . 1 1 48 ARG CZ C -6.764 -12.965 -24.774 . . . 1.0 . . . . . . . . . . . . A . 48 ARG CZ . . . . . . . . . rr_2n28 1
. 1 . 843 . 1 1 48 ARG H H -8.388 -8.916 -29.056 . . . 1.0 . . . . . . . . . . . . A . 48 ARG H . . . . . . . . . rr_2n28 1
. 1 . 844 . 1 1 48 ARG HA H -9.012 -11.526 -29.991 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HA . . . . . . . . . rr_2n28 1
. 1 . 845 . 1 1 48 ARG HB2 H -8.876 -10.351 -27.213 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HB2 . . . . . . . . . rr_2n28 1
. 1 . 846 . 1 1 48 ARG HB3 H -9.157 -12.063 -27.530 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HB3 . . . . . . . . . rr_2n28 1
. 1 . 847 . 1 1 48 ARG HD2 H -5.476 -11.636 -26.851 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HD2 . . . . . . . . . rr_2n28 1
. 1 . 848 . 1 1 48 ARG HD3 H -6.747 -10.656 -26.123 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HD3 . . . . . . . . . rr_2n28 1
. 1 . 849 . 1 1 48 ARG HE H -7.640 -13.336 -26.534 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HE . . . . . . . . . rr_2n28 1
. 1 . 850 . 1 1 48 ARG HG2 H -7.038 -12.267 -28.678 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HG2 . . . . . . . . . rr_2n28 1
. 1 . 851 . 1 1 48 ARG HG3 H -6.775 -10.525 -28.601 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HG3 . . . . . . . . . rr_2n28 1
. 1 . 852 . 1 1 48 ARG HH11 H -5.630 -11.329 -24.559 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HH11 . . . . . . . . . rr_2n28 1
. 1 . 853 . 1 1 48 ARG HH12 H -5.771 -12.333 -23.155 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HH12 . . . . . . . . . rr_2n28 1
. 1 . 854 . 1 1 48 ARG HH21 H -7.829 -14.659 -24.697 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HH21 . . . . . . . . . rr_2n28 1
. 1 . 855 . 1 1 48 ARG HH22 H -7.016 -14.218 -23.233 . . . 1.0 . . . . . . . . . . . . A . 48 ARG HH22 . . . . . . . . . rr_2n28 1
. 1 . 856 . 1 1 48 ARG N N -8.922 -9.466 -29.666 . . . 1.0 . . . . . . . . . . . . A . 48 ARG N . . . . . . . . . rr_2n28 1
. 1 . 857 . 1 1 48 ARG NE N -7.062 -12.715 -26.044 . . . 1.0 . . . . . . . . . . . . A . 48 ARG NE . . . . . . . . . rr_2n28 1
. 1 . 858 . 1 1 48 ARG NH1 N -5.995 -12.145 -24.110 . . . 1.0 . . . . . . . . . . . . A . 48 ARG NH1 . . . . . . . . . rr_2n28 1
. 1 . 859 . 1 1 48 ARG NH2 N -7.240 -14.030 -24.189 . . . 1.0 . . . . . . . . . . . . A . 48 ARG NH2 . . . . . . . . . rr_2n28 1
. 1 . 860 . 1 1 48 ARG O O -11.456 -11.910 -29.469 . . . 1.0 . . . . . . . . . . . . A . 48 ARG O . . . . . . . . . rr_2n28 1
. 1 . 861 . 1 1 49 ALA C C -13.398 -8.450 -27.947 . . . 1.0 . . . . . . . . . . . . A . 49 ALA C . . . . . . . . . rr_2n28 1
. 1 . 862 . 1 1 49 ALA CA C -12.940 -9.765 -28.574 . . . 1.0 . . . . . . . . . . . . A . 49 ALA CA . . . . . . . . . rr_2n28 1
. 1 . 863 . 1 1 49 ALA CB C -13.424 -10.948 -27.720 . . . 1.0 . . . . . . . . . . . . A . 49 ALA CB . . . . . . . . . rr_2n28 1
. 1 . 864 . 1 1 49 ALA H H -10.963 -9.000 -28.467 . . . 1.0 . . . . . . . . . . . . A . 49 ALA H . . . . . . . . . rr_2n28 1
. 1 . 865 . 1 1 49 ALA HA H -13.367 -9.848 -29.562 . . . 1.0 . . . . . . . . . . . . A . 49 ALA HA . . . . . . . . . rr_2n28 1
. 1 . 866 . 1 1 49 ALA HB1 H -12.724 -11.120 -26.916 . . . 1.0 . . . . . . . . . . . . A . 49 ALA HB1 . . . . . . . . . rr_2n28 1
. 1 . 867 . 1 1 49 ALA HB2 H -13.491 -11.833 -28.334 . . . 1.0 . . . . . . . . . . . . A . 49 ALA HB2 . . . . . . . . . rr_2n28 1
. 1 . 868 . 1 1 49 ALA HB3 H -14.399 -10.727 -27.307 . . . 1.0 . . . . . . . . . . . . A . 49 ALA HB3 . . . . . . . . . rr_2n28 1
. 1 . 869 . 1 1 49 ALA N N -11.485 -9.797 -28.700 . . . 1.0 . . . . . . . . . . . . A . 49 ALA N . . . . . . . . . rr_2n28 1
. 1 . 870 . 1 1 49 ALA O O -12.752 -7.928 -27.038 . . . 1.0 . . . . . . . . . . . . A . 49 ALA O . . . . . . . . . rr_2n28 1
. 1 . 871 . 1 1 50 GLU C C -15.427 -6.885 -26.417 . . . 1.0 . . . . . . . . . . . . A . 50 GLU C . . . . . . . . . rr_2n28 1
. 1 . 872 . 1 1 50 GLU CA C -15.062 -6.687 -27.885 . . . 1.0 . . . . . . . . . . . . A . 50 GLU CA . . . . . . . . . rr_2n28 1
. 1 . 873 . 1 1 50 GLU CB C -16.303 -6.267 -28.684 . . . 1.0 . . . . . . . . . . . . A . 50 GLU CB . . . . . . . . . rr_2n28 1
. 1 . 874 . 1 1 50 GLU CD C -15.835 -3.829 -28.317 . . . 1.0 . . . . . . . . . . . . A . 50 GLU CD . . . . . . . . . rr_2n28 1
. 1 . 875 . 1 1 50 GLU CG C -16.862 -4.945 -28.145 . . . 1.0 . . . . . . . . . . . . A . 50 GLU CG . . . . . . . . . rr_2n28 1
. 1 . 876 . 1 1 50 GLU H H -15.005 -8.395 -29.140 . . . 1.0 . . . . . . . . . . . . A . 50 GLU H . . . . . . . . . rr_2n28 1
. 1 . 877 . 1 1 50 GLU HA H -14.312 -5.915 -27.963 . . . 1.0 . . . . . . . . . . . . A . 50 GLU HA . . . . . . . . . rr_2n28 1
. 1 . 878 . 1 1 50 GLU HB2 H -16.034 -6.144 -29.723 . . . 1.0 . . . . . . . . . . . . A . 50 GLU HB2 . . . . . . . . . rr_2n28 1
. 1 . 879 . 1 1 50 GLU HB3 H -17.059 -7.034 -28.600 . . . 1.0 . . . . . . . . . . . . A . 50 GLU HB3 . . . . . . . . . rr_2n28 1
. 1 . 880 . 1 1 50 GLU HG2 H -17.759 -4.689 -28.691 . . . 1.0 . . . . . . . . . . . . A . 50 GLU HG2 . . . . . . . . . rr_2n28 1
. 1 . 881 . 1 1 50 GLU HG3 H -17.103 -5.050 -27.099 . . . 1.0 . . . . . . . . . . . . A . 50 GLU HG3 . . . . . . . . . rr_2n28 1
. 1 . 882 . 1 1 50 GLU N N -14.524 -7.930 -28.424 . . . 1.0 . . . . . . . . . . . . A . 50 GLU N . . . . . . . . . rr_2n28 1
. 1 . 883 . 1 1 50 GLU O O -15.152 -6.032 -25.574 . . . 1.0 . . . . . . . . . . . . A . 50 GLU O . . . . . . . . . rr_2n28 1
. 1 . 884 . 1 1 50 GLU OE1 O -14.955 -3.986 -29.147 . . . 1.0 . . . . . . . . . . . . A . 50 GLU OE1 . . . . . . . . . rr_2n28 1
. 1 . 885 . 1 1 50 GLU OE2 O -15.947 -2.835 -27.620 . . . 1.0 . . . . . . . . . . . . A . 50 GLU OE2 . . . . . . . . . rr_2n28 1
. 1 . 886 . 1 1 51 ASP C C -15.330 -9.122 -24.051 . . . 1.0 . . . . . . . . . . . . A . 51 ASP C . . . . . . . . . rr_2n28 1
. 1 . 887 . 1 1 51 ASP CA C -16.446 -8.360 -24.759 . . . 1.0 . . . . . . . . . . . . A . 51 ASP CA . . . . . . . . . rr_2n28 1
. 1 . 888 . 1 1 51 ASP CB C -17.713 -9.218 -24.785 . . . 1.0 . . . . . . . . . . . . A . 51 ASP CB . . . . . . . . . rr_2n28 1
. 1 . 889 . 1 1 51 ASP CG C -18.163 -9.526 -23.361 . . . 1.0 . . . . . . . . . . . . A . 51 ASP CG . . . . . . . . . rr_2n28 1
. 1 . 890 . 1 1 51 ASP H H -16.228 -8.668 -26.845 . . . 1.0 . . . . . . . . . . . . A . 51 ASP H . . . . . . . . . rr_2n28 1
. 1 . 891 . 1 1 51 ASP HA H -16.653 -7.450 -24.215 . . . 1.0 . . . . . . . . . . . . A . 51 ASP HA . . . . . . . . . rr_2n28 1
. 1 . 892 . 1 1 51 ASP HB2 H -18.496 -8.684 -25.302 . . . 1.0 . . . . . . . . . . . . A . 51 ASP HB2 . . . . . . . . . rr_2n28 1
. 1 . 893 . 1 1 51 ASP HB3 H -17.509 -10.144 -25.304 . . . 1.0 . . . . . . . . . . . . A . 51 ASP HB3 . . . . . . . . . rr_2n28 1
. 1 . 894 . 1 1 51 ASP N N -16.043 -8.029 -26.125 . . . 1.0 . . . . . . . . . . . . A . 51 ASP N . . . . . . . . . rr_2n28 1
. 1 . 895 . 1 1 51 ASP O O -15.037 -10.268 -24.391 . . . 1.0 . . . . . . . . . . . . A . 51 ASP O . . . . . . . . . rr_2n28 1
. 1 . 896 . 1 1 51 ASP OD1 O -17.436 -9.182 -22.444 . . . 1.0 . . . . . . . . . . . . A . 51 ASP OD1 . . . . . . . . . rr_2n28 1
. 1 . 897 . 1 1 51 ASP OD2 O -19.227 -10.104 -23.209 . . . 1.0 . . . . . . . . . . . . A . 51 ASP OD2 . . . . . . . . . rr_2n28 1
. 1 . 898 . 1 1 52 SER C C -14.147 -10.261 -21.478 . . . 1.0 . . . . . . . . . . . . A . 52 SER C . . . . . . . . . rr_2n28 1
. 1 . 899 . 1 1 52 SER CA C -13.619 -9.113 -22.333 . . . 1.0 . . . . . . . . . . . . A . 52 SER CA . . . . . . . . . rr_2n28 1
. 1 . 900 . 1 1 52 SER CB C -12.926 -8.086 -21.438 . . . 1.0 . . . . . . . . . . . . A . 52 SER CB . . . . . . . . . rr_2n28 1
. 1 . 901 . 1 1 52 SER H H -14.974 -7.565 -22.842 . . . 1.0 . . . . . . . . . . . . A . 52 SER H . . . . . . . . . rr_2n28 1
. 1 . 902 . 1 1 52 SER HA H -12.899 -9.504 -23.037 . . . 1.0 . . . . . . . . . . . . A . 52 SER HA . . . . . . . . . rr_2n28 1
. 1 . 903 . 1 1 52 SER HB2 H -12.034 -8.518 -21.015 . . . 1.0 . . . . . . . . . . . . A . 52 SER HB2 . . . . . . . . . rr_2n28 1
. 1 . 904 . 1 1 52 SER HB3 H -12.658 -7.219 -22.027 . . . 1.0 . . . . . . . . . . . . A . 52 SER HB3 . . . . . . . . . rr_2n28 1
. 1 . 905 . 1 1 52 SER HG H -14.614 -8.217 -20.482 . . . 1.0 . . . . . . . . . . . . A . 52 SER HG . . . . . . . . . rr_2n28 1
. 1 . 906 . 1 1 52 SER N N -14.705 -8.479 -23.069 . . . 1.0 . . . . . . . . . . . . A . 52 SER N . . . . . . . . . rr_2n28 1
. 1 . 907 . 1 1 52 SER O O -15.337 -10.322 -21.170 . . . 1.0 . . . . . . . . . . . . A . 52 SER O . . . . . . . . . rr_2n28 1
. 1 . 908 . 1 1 52 SER OG O -13.806 -7.708 -20.389 . . . 1.0 . . . . . . . . . . . . A . 52 SER OG . . . . . . . . . rr_2n28 1
. 1 . 909 . 1 1 53 GLY C C -12.540 -13.380 -20.310 . . . 1.0 . . . . . . . . . . . . A . 53 GLY C . . . . . . . . . rr_2n28 1
. 1 . 910 . 1 1 53 GLY CA C -13.636 -12.320 -20.294 . . . 1.0 . . . . . . . . . . . . A . 53 GLY CA . . . . . . . . . rr_2n28 1
. 1 . 911 . 1 1 53 GLY H H -12.320 -11.072 -21.388 . . . 1.0 . . . . . . . . . . . . A . 53 GLY H . . . . . . . . . rr_2n28 1
. 1 . 912 . 1 1 53 GLY HA2 H -13.805 -11.996 -19.277 . . . 1.0 . . . . . . . . . . . . A . 53 GLY HA2 . . . . . . . . . rr_2n28 1
. 1 . 913 . 1 1 53 GLY HA3 H -14.546 -12.748 -20.688 . . . 1.0 . . . . . . . . . . . . A . 53 GLY HA3 . . . . . . . . . rr_2n28 1
. 1 . 914 . 1 1 53 GLY N N -13.253 -11.172 -21.106 . . . 1.0 . . . . . . . . . . . . A . 53 GLY N . . . . . . . . . rr_2n28 1
. 1 . 915 . 1 1 53 GLY O O -11.404 -13.105 -20.694 . . . 1.0 . . . . . . . . . . . . A . 53 GLY O . . . . . . . . . rr_2n28 1
. 1 . 916 . 1 1 54 ASN C C -10.679 -15.290 -19.077 . . . 1.0 . . . . . . . . . . . . A . 54 ASN C . . . . . . . . . rr_2n28 1
. 1 . 917 . 1 1 54 ASN CA C -11.920 -15.685 -19.871 . . . 1.0 . . . . . . . . . . . . A . 54 ASN CA . . . . . . . . . rr_2n28 1
. 1 . 918 . 1 1 54 ASN CB C -11.517 -16.057 -21.300 . . . 1.0 . . . . . . . . . . . . A . 54 ASN CB . . . . . . . . . rr_2n28 1
. 1 . 919 . 1 1 54 ASN CG C -12.751 -16.453 -22.102 . . . 1.0 . . . . . . . . . . . . A . 54 ASN CG . . . . . . . . . rr_2n28 1
. 1 . 920 . 1 1 54 ASN H H -13.807 -14.759 -19.600 . . . 1.0 . . . . . . . . . . . . A . 54 ASN H . . . . . . . . . rr_2n28 1
. 1 . 921 . 1 1 54 ASN HA H -12.375 -16.546 -19.404 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HA . . . . . . . . . rr_2n28 1
. 1 . 922 . 1 1 54 ASN HB2 H -11.040 -15.208 -21.769 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HB2 . . . . . . . . . rr_2n28 1
. 1 . 923 . 1 1 54 ASN HB3 H -10.826 -16.886 -21.273 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HB3 . . . . . . . . . rr_2n28 1
. 1 . 924 . 1 1 54 ASN HD21 H -13.236 -17.953 -20.895 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HD21 . . . . . . . . . rr_2n28 1
. 1 . 925 . 1 1 54 ASN HD22 H -14.276 -17.720 -22.216 . . . 1.0 . . . . . . . . . . . . A . 54 ASN HD22 . . . . . . . . . rr_2n28 1
. 1 . 926 . 1 1 54 ASN N N -12.887 -14.594 -19.894 . . . 1.0 . . . . . . . . . . . . A . 54 ASN N . . . . . . . . . rr_2n28 1
. 1 . 927 . 1 1 54 ASN ND2 N -13.481 -17.458 -21.705 . . . 1.0 . . . . . . . . . . . . A . 54 ASN ND2 . . . . . . . . . rr_2n28 1
. 1 . 928 . 1 1 54 ASN O O -9.552 -15.559 -19.494 . . . 1.0 . . . . . . . . . . . . A . 54 ASN O . . . . . . . . . rr_2n28 1
. 1 . 929 . 1 1 54 ASN OD1 O -13.057 -15.830 -23.120 . . . 1.0 . . . . . . . . . . . . A . 54 ASN OD1 . . . . . . . . . rr_2n28 1
. 1 . 930 . 1 1 55 GLU C C -10.158 -14.379 -15.604 . . . 1.0 . . . . . . . . . . . . A . 55 GLU C . . . . . . . . . rr_2n28 1
. 1 . 931 . 1 1 55 GLU CA C -9.787 -14.217 -17.074 . . . 1.0 . . . . . . . . . . . . A . 55 GLU CA . . . . . . . . . rr_2n28 1
. 1 . 932 . 1 1 55 GLU CB C -9.446 -12.751 -17.361 . . . 1.0 . . . . . . . . . . . . A . 55 GLU CB . . . . . . . . . rr_2n28 1
. 1 . 933 . 1 1 55 GLU CD C -10.937 -11.619 -15.678 . . . 1.0 . . . . . . . . . . . . A . 55 GLU CD . . . . . . . . . rr_2n28 1
. 1 . 934 . 1 1 55 GLU CG C -10.689 -11.874 -17.164 . . . 1.0 . . . . . . . . . . . . A . 55 GLU CG . . . . . . . . . rr_2n28 1
. 1 . 935 . 1 1 55 GLU H H -11.814 -14.466 -17.650 . . . 1.0 . . . . . . . . . . . . A . 55 GLU H . . . . . . . . . rr_2n28 1
. 1 . 936 . 1 1 55 GLU HA H -8.916 -14.823 -17.280 . . . 1.0 . . . . . . . . . . . . A . 55 GLU HA . . . . . . . . . rr_2n28 1
. 1 . 937 . 1 1 55 GLU HB2 H -8.662 -12.426 -16.691 . . . 1.0 . . . . . . . . . . . . A . 55 GLU HB2 . . . . . . . . . rr_2n28 1
. 1 . 938 . 1 1 55 GLU HB3 H -9.103 -12.658 -18.380 . . . 1.0 . . . . . . . . . . . . A . 55 GLU HB3 . . . . . . . . . rr_2n28 1
. 1 . 939 . 1 1 55 GLU HG2 H -10.540 -10.929 -17.666 . . . 1.0 . . . . . . . . . . . . A . 55 GLU HG2 . . . . . . . . . rr_2n28 1
. 1 . 940 . 1 1 55 GLU HG3 H -11.551 -12.369 -17.588 . . . 1.0 . . . . . . . . . . . . A . 55 GLU HG3 . . . . . . . . . rr_2n28 1
. 1 . 941 . 1 1 55 GLU N N -10.893 -14.651 -17.928 . . . 1.0 . . . . . . . . . . . . A . 55 GLU N . . . . . . . . . rr_2n28 1
. 1 . 942 . 1 1 55 GLU O O -11.336 -14.422 -15.252 . . . 1.0 . . . . . . . . . . . . A . 55 GLU O . . . . . . . . . rr_2n28 1
. 1 . 943 . 1 1 55 GLU OE1 O -9.995 -11.730 -14.909 . . . 1.0 . . . . . . . . . . . . A . 55 GLU OE1 . . . . . . . . . rr_2n28 1
. 1 . 944 . 1 1 55 GLU OE2 O -12.066 -11.315 -15.331 . . . 1.0 . . . . . . . . . . . . A . 55 GLU OE2 . . . . . . . . . rr_2n28 1
. 1 . 945 . 1 1 56 SER C C -8.204 -14.067 -12.517 . . . 1.0 . . . . . . . . . . . . A . 56 SER C . . . . . . . . . rr_2n28 1
. 1 . 946 . 1 1 56 SER CA C -9.367 -14.645 -13.315 . . . 1.0 . . . . . . . . . . . . A . 56 SER CA . . . . . . . . . rr_2n28 1
. 1 . 947 . 1 1 56 SER CB C -9.526 -16.130 -12.983 . . . 1.0 . . . . . . . . . . . . A . 56 SER CB . . . . . . . . . rr_2n28 1
. 1 . 948 . 1 1 56 SER H H -8.224 -14.443 -15.090 . . . 1.0 . . . . . . . . . . . . A . 56 SER H . . . . . . . . . rr_2n28 1
. 1 . 949 . 1 1 56 SER HA H -10.273 -14.128 -13.035 . . . 1.0 . . . . . . . . . . . . A . 56 SER HA . . . . . . . . . rr_2n28 1
. 1 . 950 . 1 1 56 SER HB2 H -10.371 -16.531 -13.515 . . . 1.0 . . . . . . . . . . . . A . 56 SER HB2 . . . . . . . . . rr_2n28 1
. 1 . 951 . 1 1 56 SER HB3 H -8.631 -16.660 -13.278 . . . 1.0 . . . . . . . . . . . . A . 56 SER HB3 . . . . . . . . . rr_2n28 1
. 1 . 952 . 1 1 56 SER HG H -10.344 -15.586 -11.304 . . . 1.0 . . . . . . . . . . . . A . 56 SER HG . . . . . . . . . rr_2n28 1
. 1 . 953 . 1 1 56 SER N N -9.142 -14.478 -14.749 . . . 1.0 . . . . . . . . . . . . A . 56 SER N . . . . . . . . . rr_2n28 1
. 1 . 954 . 1 1 56 SER O O -7.065 -14.049 -12.985 . . . 1.0 . . . . . . . . . . . . A . 56 SER O . . . . . . . . . rr_2n28 1
. 1 . 955 . 1 1 56 SER OG O -9.741 -16.277 -11.586 . . . 1.0 . . . . . . . . . . . . A . 56 SER OG . . . . . . . . . rr_2n28 1
. 1 . 956 . 1 1 57 GLU C C -7.767 -13.325 -8.973 . . . 1.0 . . . . . . . . . . . . A . 57 GLU C . . . . . . . . . rr_2n28 1
. 1 . 957 . 1 1 57 GLU CA C -7.473 -13.015 -10.439 . . . 1.0 . . . . . . . . . . . . A . 57 GLU CA . . . . . . . . . rr_2n28 1
. 1 . 958 . 1 1 57 GLU CB C -7.398 -11.496 -10.660 . . . 1.0 . . . . . . . . . . . . A . 57 GLU CB . . . . . . . . . rr_2n28 1
. 1 . 959 . 1 1 57 GLU CD C -9.633 -10.839 -11.626 . . . 1.0 . . . . . . . . . . . . A . 57 GLU CD . . . . . . . . . rr_2n28 1
. 1 . 960 . 1 1 57 GLU CG C -8.762 -10.832 -10.372 . . . 1.0 . . . . . . . . . . . . A . 57 GLU CG . . . . . . . . . rr_2n28 1
. 1 . 961 . 1 1 57 GLU H H -9.424 -13.638 -10.989 . . . 1.0 . . . . . . . . . . . . A . 57 GLU H . . . . . . . . . rr_2n28 1
. 1 . 962 . 1 1 57 GLU HA H -6.513 -13.445 -10.691 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HA . . . . . . . . . rr_2n28 1
. 1 . 963 . 1 1 57 GLU HB2 H -6.653 -11.081 -9.995 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HB2 . . . . . . . . . rr_2n28 1
. 1 . 964 . 1 1 57 GLU HB3 H -7.108 -11.298 -11.682 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HB3 . . . . . . . . . rr_2n28 1
. 1 . 965 . 1 1 57 GLU HG2 H -9.274 -11.360 -9.582 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HG2 . . . . . . . . . rr_2n28 1
. 1 . 966 . 1 1 57 GLU HG3 H -8.601 -9.809 -10.064 . . . 1.0 . . . . . . . . . . . . A . 57 GLU HG3 . . . . . . . . . rr_2n28 1
. 1 . 967 . 1 1 57 GLU N N -8.498 -13.595 -11.306 . . . 1.0 . . . . . . . . . . . . A . 57 GLU N . . . . . . . . . rr_2n28 1
. 1 . 968 . 1 1 57 GLU O O -8.907 -13.608 -8.605 . . . 1.0 . . . . . . . . . . . . A . 57 GLU O . . . . . . . . . rr_2n28 1
. 1 . 969 . 1 1 57 GLU OE1 O -9.395 -11.674 -12.484 . . . 1.0 . . . . . . . . . . . . A . 57 GLU OE1 . . . . . . . . . rr_2n28 1
. 1 . 970 . 1 1 57 GLU OE2 O -10.525 -10.011 -11.710 . . . 1.0 . . . . . . . . . . . . A . 57 GLU OE2 . . . . . . . . . rr_2n28 1
. 1 . 971 . 1 1 58 GLY C C -6.851 -15.066 -6.471 . . . 1.0 . . . . . . . . . . . . A . 58 GLY C . . . . . . . . . rr_2n28 1
. 1 . 972 . 1 1 58 GLY CA C -6.886 -13.562 -6.720 . . . 1.0 . . . . . . . . . . . . A . 58 GLY CA . . . . . . . . . rr_2n28 1
. 1 . 973 . 1 1 58 GLY H H -5.843 -13.049 -8.494 . . . 1.0 . . . . . . . . . . . . A . 58 GLY H . . . . . . . . . rr_2n28 1
. 1 . 974 . 1 1 58 GLY HA2 H -6.081 -13.090 -6.173 . . . 1.0 . . . . . . . . . . . . A . 58 GLY HA2 . . . . . . . . . rr_2n28 1
. 1 . 975 . 1 1 58 GLY HA3 H -7.830 -13.168 -6.376 . . . 1.0 . . . . . . . . . . . . A . 58 GLY HA3 . . . . . . . . . rr_2n28 1
. 1 . 976 . 1 1 58 GLY N N -6.730 -13.276 -8.143 . . . 1.0 . . . . . . . . . . . . A . 58 GLY N . . . . . . . . . rr_2n28 1
. 1 . 977 . 1 1 58 GLY O O -6.014 -15.562 -5.718 . . . 1.0 . . . . . . . . . . . . A . 58 GLY O . . . . . . . . . rr_2n28 1
. 1 . 978 . 1 1 59 GLU C C -6.544 -17.877 -7.480 . . . 1.0 . . . . . . . . . . . . A . 59 GLU C . . . . . . . . . rr_2n28 1
. 1 . 979 . 1 1 59 GLU CA C -7.829 -17.234 -6.968 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CA . . . . . . . . . rr_2n28 1
. 1 . 980 . 1 1 59 GLU CB C -9.028 -17.786 -7.746 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CB . . . . . . . . . rr_2n28 1
. 1 . 981 . 1 1 59 GLU CD C -8.187 -20.091 -8.307 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CD . . . . . . . . . rr_2n28 1
. 1 . 982 . 1 1 59 GLU CG C -9.184 -19.288 -7.473 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CG . . . . . . . . . rr_2n28 1
. 1 . 983 . 1 1 59 GLU H H -8.402 -15.333 -7.706 . . . 1.0 . . . . . . . . . . . . A . 59 GLU H . . . . . . . . . rr_2n28 1
. 1 . 984 . 1 1 59 GLU HA H -7.949 -17.474 -5.922 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HA . . . . . . . . . rr_2n28 1
. 1 . 985 . 1 1 59 GLU HB2 H -9.923 -17.270 -7.432 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HB2 . . . . . . . . . rr_2n28 1
. 1 . 986 . 1 1 59 GLU HB3 H -8.876 -17.625 -8.803 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HB3 . . . . . . . . . rr_2n28 1
. 1 . 987 . 1 1 59 GLU HG2 H -9.013 -19.485 -6.425 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HG2 . . . . . . . . . rr_2n28 1
. 1 . 988 . 1 1 59 GLU HG3 H -10.189 -19.592 -7.731 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HG3 . . . . . . . . . rr_2n28 1
. 1 . 989 . 1 1 59 GLU N N -7.764 -15.785 -7.116 . . . 1.0 . . . . . . . . . . . . A . 59 GLU N . . . . . . . . . rr_2n28 1
. 1 . 990 . 1 1 59 GLU O O -6.028 -18.821 -6.884 . . . 1.0 . . . . . . . . . . . . A . 59 GLU O . . . . . . . . . rr_2n28 1
. 1 . 991 . 1 1 59 GLU OE1 O -7.810 -19.620 -9.367 . . . 1.0 . . . . . . . . . . . . A . 59 GLU OE1 . . . . . . . . . rr_2n28 1
. 1 . 992 . 1 1 59 GLU OE2 O -7.816 -21.168 -7.872 . . . 1.0 . . . . . . . . . . . . A . 59 GLU OE2 . . . . . . . . . rr_2n28 1
. 1 . 993 . 1 1 60 ILE C C -3.651 -17.801 -8.204 . . . 1.0 . . . . . . . . . . . . A . 60 ILE C . . . . . . . . . rr_2n28 1
. 1 . 994 . 1 1 60 ILE CA C -4.815 -17.884 -9.189 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CA . . . . . . . . . rr_2n28 1
. 1 . 995 . 1 1 60 ILE CB C -4.476 -17.074 -10.446 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CB . . . . . . . . . rr_2n28 1
. 1 . 996 . 1 1 60 ILE CD1 C -3.744 -19.107 -11.764 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CD1 . . . . . . . . . rr_2n28 1
. 1 . 997 . 1 1 60 ILE CG1 C -3.316 -17.741 -11.205 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CG1 . . . . . . . . . rr_2n28 1
. 1 . 998 . 1 1 60 ILE CG2 C -4.069 -15.652 -10.049 . . . 1.0 . . . . . . . . . . . . A . 60 ILE CG2 . . . . . . . . . rr_2n28 1
. 1 . 999 . 1 1 60 ILE H H -6.496 -16.606 -9.025 . . . 1.0 . . . . . . . . . . . . A . 60 ILE H . . . . . . . . . rr_2n28 1
. 1 . 1000 . 1 1 60 ILE HA H -4.967 -18.911 -9.476 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HA . . . . . . . . . rr_2n28 1
. 1 . 1001 . 1 1 60 ILE HB H -5.346 -17.026 -11.085 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HB . . . . . . . . . rr_2n28 1
. 1 . 1002 . 1 1 60 ILE HD11 H -4.802 -19.103 -11.987 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HD11 . . . . . . . . . rr_2n28 1
. 1 . 1003 . 1 1 60 ILE HD12 H -3.533 -19.877 -11.037 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HD12 . . . . . . . . . rr_2n28 1
. 1 . 1004 . 1 1 60 ILE HD13 H -3.190 -19.311 -12.669 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HD13 . . . . . . . . . rr_2n28 1
. 1 . 1005 . 1 1 60 ILE HG12 H -3.013 -17.102 -12.021 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG12 . . . . . . . . . rr_2n28 1
. 1 . 1006 . 1 1 60 ILE HG13 H -2.482 -17.878 -10.533 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG13 . . . . . . . . . rr_2n28 1
. 1 . 1007 . 1 1 60 ILE HG21 H -4.085 -15.016 -10.920 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG21 . . . . . . . . . rr_2n28 1
. 1 . 1008 . 1 1 60 ILE HG22 H -3.072 -15.666 -9.632 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG22 . . . . . . . . . rr_2n28 1
. 1 . 1009 . 1 1 60 ILE HG23 H -4.761 -15.272 -9.312 . . . 1.0 . . . . . . . . . . . . A . 60 ILE HG23 . . . . . . . . . rr_2n28 1
. 1 . 1010 . 1 1 60 ILE N N -6.037 -17.357 -8.593 . . . 1.0 . . . . . . . . . . . . A . 60 ILE N . . . . . . . . . rr_2n28 1
. 1 . 1011 . 1 1 60 ILE O O -2.841 -18.723 -8.108 . . . 1.0 . . . . . . . . . . . . A . 60 ILE O . . . . . . . . . rr_2n28 1
. 1 . 1012 . 1 1 61 SER C C -2.661 -17.393 -5.316 . . . 1.0 . . . . . . . . . . . . A . 61 SER C . . . . . . . . . rr_2n28 1
. 1 . 1013 . 1 1 61 SER CA C -2.482 -16.488 -6.530 . . . 1.0 . . . . . . . . . . . . A . 61 SER CA . . . . . . . . . rr_2n28 1
. 1 . 1014 . 1 1 61 SER CB C -2.450 -15.028 -6.076 . . . 1.0 . . . . . . . . . . . . A . 61 SER CB . . . . . . . . . rr_2n28 1
. 1 . 1015 . 1 1 61 SER H H -4.227 -15.974 -7.624 . . . 1.0 . . . . . . . . . . . . A . 61 SER H . . . . . . . . . rr_2n28 1
. 1 . 1016 . 1 1 61 SER HA H -1.553 -16.716 -7.028 . . . 1.0 . . . . . . . . . . . . A . 61 SER HA . . . . . . . . . rr_2n28 1
. 1 . 1017 . 1 1 61 SER HB2 H -1.580 -14.858 -5.465 . . . 1.0 . . . . . . . . . . . . A . 61 SER HB2 . . . . . . . . . rr_2n28 1
. 1 . 1018 . 1 1 61 SER HB3 H -2.409 -14.383 -6.944 . . . 1.0 . . . . . . . . . . . . A . 61 SER HB3 . . . . . . . . . rr_2n28 1
. 1 . 1019 . 1 1 61 SER HG H -3.804 -15.512 -4.764 . . . 1.0 . . . . . . . . . . . . A . 61 SER HG . . . . . . . . . rr_2n28 1
. 1 . 1020 . 1 1 61 SER N N -3.565 -16.684 -7.489 . . . 1.0 . . . . . . . . . . . . A . 61 SER N . . . . . . . . . rr_2n28 1
. 1 . 1021 . 1 1 61 SER O O -1.734 -17.587 -4.529 . . . 1.0 . . . . . . . . . . . . A . 61 SER O . . . . . . . . . rr_2n28 1
. 1 . 1022 . 1 1 61 SER OG O -3.618 -14.747 -5.316 . . . 1.0 . . . . . . . . . . . . A . 61 SER OG . . . . . . . . . rr_2n28 1
. 1 . 1023 . 1 1 62 ALA C C -3.362 -20.105 -4.123 . . . 1.0 . . . . . . . . . . . . A . 62 ALA C . . . . . . . . . rr_2n28 1
. 1 . 1024 . 1 1 62 ALA CA C -4.169 -18.812 -4.045 . . . 1.0 . . . . . . . . . . . . A . 62 ALA CA . . . . . . . . . rr_2n28 1
. 1 . 1025 . 1 1 62 ALA CB C -5.662 -19.139 -4.026 . . . 1.0 . . . . . . . . . . . . A . 62 ALA CB . . . . . . . . . rr_2n28 1
. 1 . 1026 . 1 1 62 ALA H H -4.554 -17.739 -5.838 . . . 1.0 . . . . . . . . . . . . A . 62 ALA H . . . . . . . . . rr_2n28 1
. 1 . 1027 . 1 1 62 ALA HA H -3.914 -18.298 -3.131 . . . 1.0 . . . . . . . . . . . . A . 62 ALA HA . . . . . . . . . rr_2n28 1
. 1 . 1028 . 1 1 62 ALA HB1 H -6.230 -18.243 -4.229 . . . 1.0 . . . . . . . . . . . . A . 62 ALA HB1 . . . . . . . . . rr_2n28 1
. 1 . 1029 . 1 1 62 ALA HB2 H -5.934 -19.525 -3.055 . . . 1.0 . . . . . . . . . . . . A . 62 ALA HB2 . . . . . . . . . rr_2n28 1
. 1 . 1030 . 1 1 62 ALA HB3 H -5.878 -19.881 -4.781 . . . 1.0 . . . . . . . . . . . . A . 62 ALA HB3 . . . . . . . . . rr_2n28 1
. 1 . 1031 . 1 1 62 ALA N N -3.864 -17.935 -5.171 . . . 1.0 . . . . . . . . . . . . A . 62 ALA N . . . . . . . . . rr_2n28 1
. 1 . 1032 . 1 1 62 ALA O O -2.927 -20.634 -3.100 . . . 1.0 . . . . . . . . . . . . A . 62 ALA O . . . . . . . . . rr_2n28 1
. 1 . 1033 . 1 1 63 LEU C C -0.919 -21.585 -5.576 . . . 1.0 . . . . . . . . . . . . A . 63 LEU C . . . . . . . . . rr_2n28 1
. 1 . 1034 . 1 1 63 LEU CA C -2.422 -21.855 -5.529 . . . 1.0 . . . . . . . . . . . . A . 63 LEU CA . . . . . . . . . rr_2n28 1
. 1 . 1035 . 1 1 63 LEU CB C -2.856 -22.528 -6.834 . . . 1.0 . . . . . . . . . . . . A . 63 LEU CB . . . . . . . . . rr_2n28 1
. 1 . 1036 . 1 1 63 LEU CD1 C -4.780 -23.437 -8.140 . . . 1.0 . . . . . . . . . . . . A . 63 LEU CD1 . . . . . . . . . rr_2n28 1
. 1 . 1037 . 1 1 63 LEU CD2 C -4.656 -23.856 -5.666 . . . 1.0 . . . . . . . . . . . . A . 63 LEU CD2 . . . . . . . . . rr_2n28 1
. 1 . 1038 . 1 1 63 LEU CG C -4.356 -22.845 -6.791 . . . 1.0 . . . . . . . . . . . . A . 63 LEU CG . . . . . . . . . rr_2n28 1
. 1 . 1039 . 1 1 63 LEU H H -3.546 -20.154 -6.115 . . . 1.0 . . . . . . . . . . . . A . 63 LEU H . . . . . . . . . rr_2n28 1
. 1 . 1040 . 1 1 63 LEU HA H -2.627 -22.522 -4.706 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HA . . . . . . . . . rr_2n28 1
. 1 . 1041 . 1 1 63 LEU HB2 H -2.653 -21.865 -7.662 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HB2 . . . . . . . . . rr_2n28 1
. 1 . 1042 . 1 1 63 LEU HB3 H -2.300 -23.445 -6.966 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HB3 . . . . . . . . . rr_2n28 1
. 1 . 1043 . 1 1 63 LEU HD11 H -4.370 -24.432 -8.242 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HD11 . . . . . . . . . rr_2n28 1
. 1 . 1044 . 1 1 63 LEU HD12 H -4.410 -22.813 -8.939 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HD12 . . . . . . . . . rr_2n28 1
. 1 . 1045 . 1 1 63 LEU HD13 H -5.858 -23.486 -8.189 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HD13 . . . . . . . . . rr_2n28 1
. 1 . 1046 . 1 1 63 LEU HD21 H -3.833 -24.551 -5.569 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HD21 . . . . . . . . . rr_2n28 1
. 1 . 1047 . 1 1 63 LEU HD22 H -5.559 -24.403 -5.897 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HD22 . . . . . . . . . rr_2n28 1
. 1 . 1048 . 1 1 63 LEU HD23 H -4.792 -23.327 -4.735 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HD23 . . . . . . . . . rr_2n28 1
. 1 . 1049 . 1 1 63 LEU HG H -4.909 -21.934 -6.614 . . . 1.0 . . . . . . . . . . . . A . 63 LEU HG . . . . . . . . . rr_2n28 1
. 1 . 1050 . 1 1 63 LEU N N -3.171 -20.614 -5.336 . . . 1.0 . . . . . . . . . . . . A . 63 LEU N . . . . . . . . . rr_2n28 1
. 1 . 1051 . 1 1 63 LEU O O -0.111 -22.495 -5.393 . . . 1.0 . . . . . . . . . . . . A . 63 LEU O . . . . . . . . . rr_2n28 1
. 1 . 1052 . 1 1 64 VAL C C 1.592 -20.242 -4.625 . . . 1.0 . . . . . . . . . . . . A . 64 VAL C . . . . . . . . . rr_2n28 1
. 1 . 1053 . 1 1 64 VAL CA C 0.858 -19.968 -5.938 . . . 1.0 . . . . . . . . . . . . A . 64 VAL CA . . . . . . . . . rr_2n28 1
. 1 . 1054 . 1 1 64 VAL CB C 0.979 -18.483 -6.304 . . . 1.0 . . . . . . . . . . . . A . 64 VAL CB . . . . . . . . . rr_2n28 1
. 1 . 1055 . 1 1 64 VAL CG1 C 2.439 -18.029 -6.188 . . . 1.0 . . . . . . . . . . . . A . 64 VAL CG1 . . . . . . . . . rr_2n28 1
. 1 . 1056 . 1 1 64 VAL CG2 C 0.503 -18.278 -7.744 . . . 1.0 . . . . . . . . . . . . A . 64 VAL CG2 . . . . . . . . . rr_2n28 1
. 1 . 1057 . 1 1 64 VAL H H -1.236 -19.655 -6.006 . . . 1.0 . . . . . . . . . . . . A . 64 VAL H . . . . . . . . . rr_2n28 1
. 1 . 1058 . 1 1 64 VAL HA H 1.317 -20.552 -6.721 . . . 1.0 . . . . . . . . . . . . A . 64 VAL HA . . . . . . . . . rr_2n28 1
. 1 . 1059 . 1 1 64 VAL HB H 0.367 -17.897 -5.634 . . . 1.0 . . . . . . . . . . . . A . 64 VAL HB . . . . . . . . . rr_2n28 1
. 1 . 1060 . 1 1 64 VAL HG11 H 2.705 -17.936 -5.145 . . . 1.0 . . . . . . . . . . . . A . 64 VAL HG11 . . . . . . . . . rr_2n28 1
. 1 . 1061 . 1 1 64 VAL HG12 H 2.560 -17.074 -6.677 . . . 1.0 . . . . . . . . . . . . A . 64 VAL HG12 . . . . . . . . . rr_2n28 1
. 1 . 1062 . 1 1 64 VAL HG13 H 3.081 -18.758 -6.660 . . . 1.0 . . . . . . . . . . . . A . 64 VAL HG13 . . . . . . . . . rr_2n28 1
. 1 . 1063 . 1 1 64 VAL HG21 H 0.526 -17.225 -7.984 . . . 1.0 . . . . . . . . . . . . A . 64 VAL HG21 . . . . . . . . . rr_2n28 1
. 1 . 1064 . 1 1 64 VAL HG22 H -0.506 -18.650 -7.846 . . . 1.0 . . . . . . . . . . . . A . 64 VAL HG22 . . . . . . . . . rr_2n28 1
. 1 . 1065 . 1 1 64 VAL HG23 H 1.153 -18.815 -8.418 . . . 1.0 . . . . . . . . . . . . A . 64 VAL HG23 . . . . . . . . . rr_2n28 1
. 1 . 1066 . 1 1 64 VAL N N -0.551 -20.337 -5.844 . . . 1.0 . . . . . . . . . . . . A . 64 VAL N . . . . . . . . . rr_2n28 1
. 1 . 1067 . 1 1 64 VAL O O 2.699 -20.780 -4.632 . . . 1.0 . . . . . . . . . . . . A . 64 VAL O . . . . . . . . . rr_2n28 1
. 1 . 1068 . 1 1 65 GLU C C 1.811 -21.572 -1.939 . . . 1.0 . . . . . . . . . . . . A . 65 GLU C . . . . . . . . . rr_2n28 1
. 1 . 1069 . 1 1 65 GLU CA C 1.620 -20.081 -2.209 . . . 1.0 . . . . . . . . . . . . A . 65 GLU CA . . . . . . . . . rr_2n28 1
. 1 . 1070 . 1 1 65 GLU CB C 0.761 -19.464 -1.101 . . . 1.0 . . . . . . . . . . . . A . 65 GLU CB . . . . . . . . . rr_2n28 1
. 1 . 1071 . 1 1 65 GLU CD C 0.648 -18.942 1.344 . . . 1.0 . . . . . . . . . . . . A . 65 GLU CD . . . . . . . . . rr_2n28 1
. 1 . 1072 . 1 1 65 GLU CG C 1.466 -19.617 0.250 . . . 1.0 . . . . . . . . . . . . A . 65 GLU CG . . . . . . . . . rr_2n28 1
. 1 . 1073 . 1 1 65 GLU H H 0.104 -19.439 -3.542 . . . 1.0 . . . . . . . . . . . . A . 65 GLU H . . . . . . . . . rr_2n28 1
. 1 . 1074 . 1 1 65 GLU HA H 2.586 -19.600 -2.208 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HA . . . . . . . . . rr_2n28 1
. 1 . 1075 . 1 1 65 GLU HB2 H 0.607 -18.414 -1.309 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HB2 . . . . . . . . . rr_2n28 1
. 1 . 1076 . 1 1 65 GLU HB3 H -0.194 -19.966 -1.064 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HB3 . . . . . . . . . rr_2n28 1
. 1 . 1077 . 1 1 65 GLU HG2 H 1.575 -20.666 0.482 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HG2 . . . . . . . . . rr_2n28 1
. 1 . 1078 . 1 1 65 GLU HG3 H 2.442 -19.158 0.199 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HG3 . . . . . . . . . rr_2n28 1
. 1 . 1079 . 1 1 65 GLU N N 0.985 -19.867 -3.504 . . . 1.0 . . . . . . . . . . . . A . 65 GLU N . . . . . . . . . rr_2n28 1
. 1 . 1080 . 1 1 65 GLU O O 2.823 -21.983 -1.373 . . . 1.0 . . . . . . . . . . . . A . 65 GLU O . . . . . . . . . rr_2n28 1
. 1 . 1081 . 1 1 65 GLU OE1 O -0.399 -18.402 1.027 . . . 1.0 . . . . . . . . . . . . A . 65 GLU OE1 . . . . . . . . . rr_2n28 1
. 1 . 1082 . 1 1 65 GLU OE2 O 1.079 -18.974 2.485 . . . 1.0 . . . . . . . . . . . . A . 65 GLU OE2 . . . . . . . . . rr_2n28 1
. 1 . 1083 . 1 1 66 LEU C C 2.048 -24.413 -3.000 . . . 1.0 . . . . . . . . . . . . A . 66 LEU C . . . . . . . . . rr_2n28 1
. 1 . 1084 . 1 1 66 LEU CA C 0.925 -23.820 -2.155 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CA . . . . . . . . . rr_2n28 1
. 1 . 1085 . 1 1 66 LEU CB C -0.408 -24.490 -2.507 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CB . . . . . . . . . rr_2n28 1
. 1 . 1086 . 1 1 66 LEU CD1 C -1.537 -22.751 -1.094 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CD1 . . . . . . . . . rr_2n28 1
. 1 . 1087 . 1 1 66 LEU CD2 C -2.790 -24.791 -1.820 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CD2 . . . . . . . . . rr_2n28 1
. 1 . 1088 . 1 1 66 LEU CG C -1.425 -24.251 -1.386 . . . 1.0 . . . . . . . . . . . . A . 66 LEU CG . . . . . . . . . rr_2n28 1
. 1 . 1089 . 1 1 66 LEU H H 0.058 -21.998 -2.809 . . . 1.0 . . . . . . . . . . . . A . 66 LEU H . . . . . . . . . rr_2n28 1
. 1 . 1090 . 1 1 66 LEU HA H 1.153 -24.015 -1.117 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HA . . . . . . . . . rr_2n28 1
. 1 . 1091 . 1 1 66 LEU HB2 H -0.786 -24.073 -3.429 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HB2 . . . . . . . . . rr_2n28 1
. 1 . 1092 . 1 1 66 LEU HB3 H -0.257 -25.553 -2.630 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HB3 . . . . . . . . . rr_2n28 1
. 1 . 1093 . 1 1 66 LEU HD11 H -2.447 -22.554 -0.547 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD11 . . . . . . . . . rr_2n28 1
. 1 . 1094 . 1 1 66 LEU HD12 H -1.551 -22.203 -2.023 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD12 . . . . . . . . . rr_2n28 1
. 1 . 1095 . 1 1 66 LEU HD13 H -0.690 -22.436 -0.503 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD13 . . . . . . . . . rr_2n28 1
. 1 . 1096 . 1 1 66 LEU HD21 H -2.696 -25.833 -2.088 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD21 . . . . . . . . . rr_2n28 1
. 1 . 1097 . 1 1 66 LEU HD22 H -3.146 -24.230 -2.671 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD22 . . . . . . . . . rr_2n28 1
. 1 . 1098 . 1 1 66 LEU HD23 H -3.493 -24.692 -1.004 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HD23 . . . . . . . . . rr_2n28 1
. 1 . 1099 . 1 1 66 LEU HG H -1.101 -24.765 -0.493 . . . 1.0 . . . . . . . . . . . . A . 66 LEU HG . . . . . . . . . rr_2n28 1
. 1 . 1100 . 1 1 66 LEU N N 0.839 -22.377 -2.353 . . . 1.0 . . . . . . . . . . . . A . 66 LEU N . . . . . . . . . rr_2n28 1
. 1 . 1101 . 1 1 66 LEU O O 2.769 -25.303 -2.550 . . . 1.0 . . . . . . . . . . . . A . 66 LEU O . . . . . . . . . rr_2n28 1
. 1 . 1102 . 1 1 67 GLY C C 4.609 -23.898 -4.685 . . . 1.0 . . . . . . . . . . . . A . 67 GLY C . . . . . . . . . rr_2n28 1
. 1 . 1103 . 1 1 67 GLY CA C 3.241 -24.420 -5.109 . . . 1.0 . . . . . . . . . . . . A . 67 GLY CA . . . . . . . . . rr_2n28 1
. 1 . 1104 . 1 1 67 GLY H H 1.595 -23.209 -4.538 . . . 1.0 . . . . . . . . . . . . A . 67 GLY H . . . . . . . . . rr_2n28 1
. 1 . 1105 . 1 1 67 GLY HA2 H 3.245 -25.501 -5.076 . . . 1.0 . . . . . . . . . . . . A . 67 GLY HA2 . . . . . . . . . rr_2n28 1
. 1 . 1106 . 1 1 67 GLY HA3 H 3.038 -24.096 -6.119 . . . 1.0 . . . . . . . . . . . . A . 67 GLY HA3 . . . . . . . . . rr_2n28 1
. 1 . 1107 . 1 1 67 GLY N N 2.196 -23.918 -4.225 . . . 1.0 . . . . . . . . . . . . A . 67 GLY N . . . . . . . . . rr_2n28 1
. 1 . 1108 . 1 1 67 GLY O O 5.594 -24.636 -4.693 . . . 1.0 . . . . . . . . . . . . A . 67 GLY O . . . . . . . . . rr_2n28 1
. 1 . 1109 . 1 1 68 VAL C C 6.393 -22.586 -2.584 . . . 1.0 . . . . . . . . . . . . A . 68 VAL C . . . . . . . . . rr_2n28 1
. 1 . 1110 . 1 1 68 VAL CA C 5.925 -22.009 -3.917 . . . 1.0 . . . . . . . . . . . . A . 68 VAL CA . . . . . . . . . rr_2n28 1
. 1 . 1111 . 1 1 68 VAL CB C 5.749 -20.492 -3.795 . . . 1.0 . . . . . . . . . . . . A . 68 VAL CB . . . . . . . . . rr_2n28 1
. 1 . 1112 . 1 1 68 VAL CG1 C 7.008 -19.867 -3.187 . . . 1.0 . . . . . . . . . . . . A . 68 VAL CG1 . . . . . . . . . rr_2n28 1
. 1 . 1113 . 1 1 68 VAL CG2 C 5.505 -19.895 -5.183 . . . 1.0 . . . . . . . . . . . . A . 68 VAL CG2 . . . . . . . . . rr_2n28 1
. 1 . 1114 . 1 1 68 VAL H H 3.854 -22.072 -4.366 . . . 1.0 . . . . . . . . . . . . A . 68 VAL H . . . . . . . . . rr_2n28 1
. 1 . 1115 . 1 1 68 VAL HA H 6.673 -22.212 -4.669 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HA . . . . . . . . . rr_2n28 1
. 1 . 1116 . 1 1 68 VAL HB H 4.901 -20.279 -3.158 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HB . . . . . . . . . rr_2n28 1
. 1 . 1117 . 1 1 68 VAL HG11 H 7.052 -20.097 -2.133 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG11 . . . . . . . . . rr_2n28 1
. 1 . 1118 . 1 1 68 VAL HG12 H 6.979 -18.796 -3.321 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG12 . . . . . . . . . rr_2n28 1
. 1 . 1119 . 1 1 68 VAL HG13 H 7.881 -20.267 -3.680 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG13 . . . . . . . . . rr_2n28 1
. 1 . 1120 . 1 1 68 VAL HG21 H 5.135 -18.885 -5.081 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG21 . . . . . . . . . rr_2n28 1
. 1 . 1121 . 1 1 68 VAL HG22 H 4.778 -20.493 -5.711 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG22 . . . . . . . . . rr_2n28 1
. 1 . 1122 . 1 1 68 VAL HG23 H 6.432 -19.883 -5.737 . . . 1.0 . . . . . . . . . . . . A . 68 VAL HG23 . . . . . . . . . rr_2n28 1
. 1 . 1123 . 1 1 68 VAL N N 4.665 -22.619 -4.328 . . . 1.0 . . . . . . . . . . . . A . 68 VAL N . . . . . . . . . rr_2n28 1
. 1 . 1124 . 1 1 68 VAL O O 7.572 -22.898 -2.416 . . . 1.0 . . . . . . . . . . . . A . 68 VAL O . . . . . . . . . rr_2n28 1
. 1 . 1125 . 1 1 69 GLU C C 6.343 -24.704 -0.500 . . . 1.0 . . . . . . . . . . . . A . 69 GLU C . . . . . . . . . rr_2n28 1
. 1 . 1126 . 1 1 69 GLU CA C 5.819 -23.280 -0.336 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CA . . . . . . . . . rr_2n28 1
. 1 . 1127 . 1 1 69 GLU CB C 4.588 -23.272 0.581 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CB . . . . . . . . . rr_2n28 1
. 1 . 1128 . 1 1 69 GLU CD C 5.998 -22.942 2.630 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CD . . . . . . . . . rr_2n28 1
. 1 . 1129 . 1 1 69 GLU CG C 4.950 -23.828 1.965 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CG . . . . . . . . . rr_2n28 1
. 1 . 1130 . 1 1 69 GLU H H 4.543 -22.472 -1.827 . . . 1.0 . . . . . . . . . . . . A . 69 GLU H . . . . . . . . . rr_2n28 1
. 1 . 1131 . 1 1 69 GLU HA H 6.592 -22.670 0.105 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HA . . . . . . . . . rr_2n28 1
. 1 . 1132 . 1 1 69 GLU HB2 H 4.229 -22.259 0.686 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HB2 . . . . . . . . . rr_2n28 1
. 1 . 1133 . 1 1 69 GLU HB3 H 3.813 -23.883 0.143 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HB3 . . . . . . . . . rr_2n28 1
. 1 . 1134 . 1 1 69 GLU HG2 H 4.062 -23.851 2.580 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HG2 . . . . . . . . . rr_2n28 1
. 1 . 1135 . 1 1 69 GLU HG3 H 5.338 -24.830 1.866 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HG3 . . . . . . . . . rr_2n28 1
. 1 . 1136 . 1 1 69 GLU N N 5.469 -22.732 -1.641 . . . 1.0 . . . . . . . . . . . . A . 69 GLU N . . . . . . . . . rr_2n28 1
. 1 . 1137 . 1 1 69 GLU O O 7.368 -25.072 0.073 . . . 1.0 . . . . . . . . . . . . A . 69 GLU O . . . . . . . . . rr_2n28 1
. 1 . 1138 . 1 1 69 GLU OE1 O 6.114 -21.794 2.233 . . . 1.0 . . . . . . . . . . . . A . 69 GLU OE1 . . . . . . . . . rr_2n28 1
. 1 . 1139 . 1 1 69 GLU OE2 O 6.670 -23.425 3.526 . . . 1.0 . . . . . . . . . . . . A . 69 GLU OE2 . . . . . . . . . rr_2n28 1
. 1 . 1140 . 1 1 70 LEU C C 7.379 -26.923 -2.252 . . . 1.0 . . . . . . . . . . . . A . 70 LEU C . . . . . . . . . rr_2n28 1
. 1 . 1141 . 1 1 70 LEU CA C 6.030 -26.877 -1.542 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CA . . . . . . . . . rr_2n28 1
. 1 . 1142 . 1 1 70 LEU CB C 4.961 -27.579 -2.393 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CB . . . . . . . . . rr_2n28 1
. 1 . 1143 . 1 1 70 LEU CD1 C 5.512 -29.815 -1.362 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CD1 . . . . . . . . . rr_2n28 1
. 1 . 1144 . 1 1 70 LEU CD2 C 4.274 -29.685 -3.541 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CD2 . . . . . . . . . rr_2n28 1
. 1 . 1145 . 1 1 70 LEU CG C 5.362 -29.035 -2.679 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CG . . . . . . . . . rr_2n28 1
. 1 . 1146 . 1 1 70 LEU H H 4.824 -25.144 -1.725 . . . 1.0 . . . . . . . . . . . . A . 70 LEU H . . . . . . . . . rr_2n28 1
. 1 . 1147 . 1 1 70 LEU HA H 6.121 -27.393 -0.599 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HA . . . . . . . . . rr_2n28 1
. 1 . 1148 . 1 1 70 LEU HB2 H 4.020 -27.567 -1.862 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HB2 . . . . . . . . . rr_2n28 1
. 1 . 1149 . 1 1 70 LEU HB3 H 4.849 -27.051 -3.328 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HB3 . . . . . . . . . rr_2n28 1
. 1 . 1150 . 1 1 70 LEU HD11 H 4.769 -29.479 -0.651 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD11 . . . . . . . . . rr_2n28 1
. 1 . 1151 . 1 1 70 LEU HD12 H 6.499 -29.649 -0.957 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD12 . . . . . . . . . rr_2n28 1
. 1 . 1152 . 1 1 70 LEU HD13 H 5.379 -30.872 -1.546 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD13 . . . . . . . . . rr_2n28 1
. 1 . 1153 . 1 1 70 LEU HD21 H 4.061 -29.053 -4.390 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD21 . . . . . . . . . rr_2n28 1
. 1 . 1154 . 1 1 70 LEU HD22 H 3.377 -29.813 -2.953 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD22 . . . . . . . . . rr_2n28 1
. 1 . 1155 . 1 1 70 LEU HD23 H 4.618 -30.650 -3.887 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD23 . . . . . . . . . rr_2n28 1
. 1 . 1156 . 1 1 70 LEU HG H 6.299 -29.055 -3.215 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HG . . . . . . . . . rr_2n28 1
. 1 . 1157 . 1 1 70 LEU N N 5.632 -25.497 -1.294 . . . 1.0 . . . . . . . . . . . . A . 70 LEU N . . . . . . . . . rr_2n28 1
. 1 . 1158 . 1 1 70 LEU O O 8.251 -27.717 -1.897 . . . 1.0 . . . . . . . . . . . . A . 70 LEU O . . . . . . . . . rr_2n28 1
. 1 . 1159 . 1 1 71 GLY C C 9.921 -25.436 -3.171 . . . 1.0 . . . . . . . . . . . . A . 71 GLY C . . . . . . . . . rr_2n28 1
. 1 . 1160 . 1 1 71 GLY CA C 8.795 -26.030 -4.010 . . . 1.0 . . . . . . . . . . . . A . 71 GLY CA . . . . . . . . . rr_2n28 1
. 1 . 1161 . 1 1 71 GLY H H 6.816 -25.462 -3.500 . . . 1.0 . . . . . . . . . . . . A . 71 GLY H . . . . . . . . . rr_2n28 1
. 1 . 1162 . 1 1 71 GLY HA2 H 9.063 -27.034 -4.305 . . . 1.0 . . . . . . . . . . . . A . 71 GLY HA2 . . . . . . . . . rr_2n28 1
. 1 . 1163 . 1 1 71 GLY HA3 H 8.657 -25.424 -4.892 . . . 1.0 . . . . . . . . . . . . A . 71 GLY HA3 . . . . . . . . . rr_2n28 1
. 1 . 1164 . 1 1 71 GLY N N 7.545 -26.071 -3.258 . . . 1.0 . . . . . . . . . . . . A . 71 GLY N . . . . . . . . . rr_2n28 1
. 1 . 1165 . 1 1 71 GLY O O 9.695 -24.548 -2.348 . . . 1.0 . . . . . . . . . . . . A . 71 GLY O . . . . . . . . . rr_2n28 1
. 1 . 1166 . 1 1 72 HIS C C 12.559 -23.973 -2.993 . . . 1.0 . . . . . . . . . . . . A . 72 HIS C . . . . . . . . . rr_2n28 1
. 1 . 1167 . 1 1 72 HIS CA C 12.295 -25.436 -2.654 . . . 1.0 . . . . . . . . . . . . A . 72 HIS CA . . . . . . . . . rr_2n28 1
. 1 . 1168 . 1 1 72 HIS CB C 13.530 -26.274 -2.999 . . . 1.0 . . . . . . . . . . . . A . 72 HIS CB . . . . . . . . . rr_2n28 1
. 1 . 1169 . 1 1 72 HIS CD2 C 13.961 -28.157 -1.217 . . . 1.0 . . . . . . . . . . . . A . 72 HIS CD2 . . . . . . . . . rr_2n28 1
. 1 . 1170 . 1 1 72 HIS CE1 C 12.755 -29.719 -2.110 . . . 1.0 . . . . . . . . . . . . A . 72 HIS CE1 . . . . . . . . . rr_2n28 1
. 1 . 1171 . 1 1 72 HIS CG C 13.414 -27.632 -2.361 . . . 1.0 . . . . . . . . . . . . A . 72 HIS CG . . . . . . . . . rr_2n28 1
. 1 . 1172 . 1 1 72 HIS H H 11.255 -26.633 -4.061 . . . 1.0 . . . . . . . . . . . . A . 72 HIS H . . . . . . . . . rr_2n28 1
. 1 . 1173 . 1 1 72 HIS HA H 12.100 -25.520 -1.595 . . . 1.0 . . . . . . . . . . . . A . 72 HIS HA . . . . . . . . . rr_2n28 1
. 1 . 1174 . 1 1 72 HIS HB2 H 13.600 -26.385 -4.071 . . . 1.0 . . . . . . . . . . . . A . 72 HIS HB2 . . . . . . . . . rr_2n28 1
. 1 . 1175 . 1 1 72 HIS HB3 H 14.414 -25.778 -2.629 . . . 1.0 . . . . . . . . . . . . A . 72 HIS HB3 . . . . . . . . . rr_2n28 1
. 1 . 1176 . 1 1 72 HIS HD1 H 12.125 -28.592 -3.741 . . . 1.0 . . . . . . . . . . . . A . 72 HIS HD1 . . . . . . . . . rr_2n28 1
. 1 . 1177 . 1 1 72 HIS HD2 H 14.616 -27.627 -0.541 . . . 1.0 . . . . . . . . . . . . A . 72 HIS HD2 . . . . . . . . . rr_2n28 1
. 1 . 1178 . 1 1 72 HIS HE1 H 12.263 -30.664 -2.291 . . . 1.0 . . . . . . . . . . . . A . 72 HIS HE1 . . . . . . . . . rr_2n28 1
. 1 . 1179 . 1 1 72 HIS HE2 H 13.778 -30.092 -0.335 . . . 1.0 . . . . . . . . . . . . A . 72 HIS HE2 . . . . . . . . . rr_2n28 1
. 1 . 1180 . 1 1 72 HIS N N 11.135 -25.928 -3.389 . . . 1.0 . . . . . . . . . . . . A . 72 HIS N . . . . . . . . . rr_2n28 1
. 1 . 1181 . 1 1 72 HIS ND1 N 12.648 -28.647 -2.915 . . . 1.0 . . . . . . . . . . . . A . 72 HIS ND1 . . . . . . . . . rr_2n28 1
. 1 . 1182 . 1 1 72 HIS NE2 N 13.544 -29.475 -1.060 . . . 1.0 . . . . . . . . . . . . A . 72 HIS NE2 . . . . . . . . . rr_2n28 1
. 1 . 1183 . 1 1 72 HIS O O 12.914 -23.177 -2.123 . . . 1.0 . . . . . . . . . . . . A . 72 HIS O . . . . . . . . . rr_2n28 1
. 1 . 1184 . 1 1 73 HIS C C 11.734 -21.945 -5.930 . . . 1.0 . . . . . . . . . . . . A . 73 HIS C . . . . . . . . . rr_2n28 1
. 1 . 1185 . 1 1 73 HIS CA C 12.612 -22.258 -4.723 . . . 1.0 . . . . . . . . . . . . A . 73 HIS CA . . . . . . . . . rr_2n28 1
. 1 . 1186 . 1 1 73 HIS CB C 14.082 -22.067 -5.098 . . . 1.0 . . . . . . . . . . . . A . 73 HIS CB . . . . . . . . . rr_2n28 1
. 1 . 1187 . 1 1 73 HIS CD2 C 14.541 -20.072 -6.747 . . . 1.0 . . . . . . . . . . . . A . 73 HIS CD2 . . . . . . . . . rr_2n28 1
. 1 . 1188 . 1 1 73 HIS CE1 C 14.540 -18.460 -5.298 . . . 1.0 . . . . . . . . . . . . A . 73 HIS CE1 . . . . . . . . . rr_2n28 1
. 1 . 1189 . 1 1 73 HIS CG C 14.311 -20.641 -5.519 . . . 1.0 . . . . . . . . . . . . A . 73 HIS CG . . . . . . . . . rr_2n28 1
. 1 . 1190 . 1 1 73 HIS H H 12.106 -24.307 -4.913 . . . 1.0 . . . . . . . . . . . . A . 73 HIS H . . . . . . . . . rr_2n28 1
. 1 . 1191 . 1 1 73 HIS HA H 12.365 -21.572 -3.926 . . . 1.0 . . . . . . . . . . . . A . 73 HIS HA . . . . . . . . . rr_2n28 1
. 1 . 1192 . 1 1 73 HIS HB2 H 14.704 -22.296 -4.246 . . . 1.0 . . . . . . . . . . . . A . 73 HIS HB2 . . . . . . . . . rr_2n28 1
. 1 . 1193 . 1 1 73 HIS HB3 H 14.334 -22.726 -5.915 . . . 1.0 . . . . . . . . . . . . A . 73 HIS HB3 . . . . . . . . . rr_2n28 1
. 1 . 1194 . 1 1 73 HIS HD1 H 14.177 -19.667 -3.642 . . . 1.0 . . . . . . . . . . . . A . 73 HIS HD1 . . . . . . . . . rr_2n28 1
. 1 . 1195 . 1 1 73 HIS HD2 H 14.600 -20.611 -7.681 . . . 1.0 . . . . . . . . . . . . A . 73 HIS HD2 . . . . . . . . . rr_2n28 1
. 1 . 1196 . 1 1 73 HIS HE1 H 14.598 -17.480 -4.849 . . . 1.0 . . . . . . . . . . . . A . 73 HIS HE1 . . . . . . . . . rr_2n28 1
. 1 . 1197 . 1 1 73 HIS HE2 H 14.858 -18.039 -7.312 . . . 1.0 . . . . . . . . . . . . A . 73 HIS HE2 . . . . . . . . . rr_2n28 1
. 1 . 1198 . 1 1 73 HIS N N 12.387 -23.627 -4.267 . . . 1.0 . . . . . . . . . . . . A . 73 HIS N . . . . . . . . . rr_2n28 1
. 1 . 1199 . 1 1 73 HIS ND1 N 14.314 -19.594 -4.610 . . . 1.0 . . . . . . . . . . . . A . 73 HIS ND1 . . . . . . . . . rr_2n28 1
. 1 . 1200 . 1 1 73 HIS NE2 N 14.686 -18.696 -6.605 . . . 1.0 . . . . . . . . . . . . A . 73 HIS NE2 . . . . . . . . . rr_2n28 1
. 1 . 1201 . 1 1 73 HIS O O 11.515 -22.800 -6.788 . . . 1.0 . . . . . . . . . . . . A . 73 HIS O . . . . . . . . . rr_2n28 1
. 1 . 1202 . 1 1 74 ALA C C 10.892 -18.953 -7.665 . . . 1.0 . . . . . . . . . . . . A . 74 ALA C . . . . . . . . . rr_2n28 1
. 1 . 1203 . 1 1 74 ALA CA C 10.369 -20.276 -7.090 . . . 1.0 . . . . . . . . . . . . A . 74 ALA CA . . . . . . . . . rr_2n28 1
. 1 . 1204 . 1 1 74 ALA CB C 8.935 -20.096 -6.573 . . . 1.0 . . . . . . . . . . . . A . 74 ALA CB . . . . . . . . . rr_2n28 1
. 1 . 1205 . 1 1 74 ALA H H 11.444 -20.079 -5.270 . . . 1.0 . . . . . . . . . . . . A . 74 ALA H . . . . . . . . . rr_2n28 1
. 1 . 1206 . 1 1 74 ALA HA H 10.372 -21.030 -7.860 . . . 1.0 . . . . . . . . . . . . A . 74 ALA HA . . . . . . . . . rr_2n28 1
. 1 . 1207 . 1 1 74 ALA HB1 H 8.240 -20.182 -7.394 . . . 1.0 . . . . . . . . . . . . A . 74 ALA HB1 . . . . . . . . . rr_2n28 1
. 1 . 1208 . 1 1 74 ALA HB2 H 8.832 -19.124 -6.114 . . . 1.0 . . . . . . . . . . . . A . 74 ALA HB2 . . . . . . . . . rr_2n28 1
. 1 . 1209 . 1 1 74 ALA HB3 H 8.720 -20.861 -5.841 . . . 1.0 . . . . . . . . . . . . A . 74 ALA HB3 . . . . . . . . . rr_2n28 1
. 1 . 1210 . 1 1 74 ALA N N 11.231 -20.712 -5.987 . . . 1.0 . . . . . . . . . . . . A . 74 ALA N . . . . . . . . . rr_2n28 1
. 1 . 1211 . 1 1 74 ALA O O 11.628 -18.240 -6.983 . . . 1.0 . . . . . . . . . . . . A . 74 ALA O . . . . . . . . . rr_2n28 1
. 1 . 1212 . 1 1 75 PRO C C 10.799 -16.126 -8.554 . . . 1.0 . . . . . . . . . . . . A . 75 PRO C . . . . . . . . . rr_2n28 1
. 1 . 1213 . 1 1 75 PRO CA C 11.013 -17.313 -9.492 . . . 1.0 . . . . . . . . . . . . A . 75 PRO CA . . . . . . . . . rr_2n28 1
. 1 . 1214 . 1 1 75 PRO CB C 10.147 -17.180 -10.751 . . . 1.0 . . . . . . . . . . . . A . 75 PRO CB . . . . . . . . . rr_2n28 1
. 1 . 1215 . 1 1 75 PRO CD C 9.669 -19.343 -9.821 . . . 1.0 . . . . . . . . . . . . A . 75 PRO CD . . . . . . . . . rr_2n28 1
. 1 . 1216 . 1 1 75 PRO CG C 9.843 -18.585 -11.139 . . . 1.0 . . . . . . . . . . . . A . 75 PRO CG . . . . . . . . . rr_2n28 1
. 1 . 1217 . 1 1 75 PRO HA H 12.052 -17.390 -9.771 . . . 1.0 . . . . . . . . . . . . A . 75 PRO HA . . . . . . . . . rr_2n28 1
. 1 . 1218 . 1 1 75 PRO HB2 H 9.233 -16.641 -10.531 . . . 1.0 . . . . . . . . . . . . A . 75 PRO HB2 . . . . . . . . . rr_2n28 1
. 1 . 1219 . 1 1 75 PRO HB3 H 10.696 -16.686 -11.540 . . . 1.0 . . . . . . . . . . . . A . 75 PRO HB3 . . . . . . . . . rr_2n28 1
. 1 . 1220 . 1 1 75 PRO HD2 H 8.636 -19.312 -9.504 . . . 1.0 . . . . . . . . . . . . A . 75 PRO HD2 . . . . . . . . . rr_2n28 1
. 1 . 1221 . 1 1 75 PRO HD3 H 10.008 -20.359 -9.931 . . . 1.0 . . . . . . . . . . . . A . 75 PRO HD3 . . . . . . . . . rr_2n28 1
. 1 . 1222 . 1 1 75 PRO HG2 H 8.932 -18.623 -11.722 . . . 1.0 . . . . . . . . . . . . A . 75 PRO HG2 . . . . . . . . . rr_2n28 1
. 1 . 1223 . 1 1 75 PRO HG3 H 10.665 -19.007 -11.698 . . . 1.0 . . . . . . . . . . . . A . 75 PRO HG3 . . . . . . . . . rr_2n28 1
. 1 . 1224 . 1 1 75 PRO N N 10.538 -18.594 -8.883 . . . 1.0 . . . . . . . . . . . . A . 75 PRO N . . . . . . . . . rr_2n28 1
. 1 . 1225 . 1 1 75 PRO O O 11.636 -15.226 -8.474 . . . 1.0 . . . . . . . . . . . . A . 75 PRO O . . . . . . . . . rr_2n28 1
. 1 . 1226 . 1 1 76 TRP C C 9.988 -15.349 -5.545 . . . 1.0 . . . . . . . . . . . . A . 76 TRP C . . . . . . . . . rr_2n28 1
. 1 . 1227 . 1 1 76 TRP CA C 9.361 -15.061 -6.905 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CA . . . . . . . . . rr_2n28 1
. 1 . 1228 . 1 1 76 TRP CB C 7.844 -14.935 -6.752 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CB . . . . . . . . . rr_2n28 1
. 1 . 1229 . 1 1 76 TRP CD1 C 7.390 -12.537 -6.097 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CD1 . . . . . . . . . rr_2n28 1
. 1 . 1230 . 1 1 76 TRP CD2 C 7.307 -13.943 -4.344 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CD2 . . . . . . . . . rr_2n28 1
. 1 . 1231 . 1 1 76 TRP CE2 C 7.037 -12.650 -3.839 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CE2 . . . . . . . . . rr_2n28 1
. 1 . 1232 . 1 1 76 TRP CE3 C 7.315 -15.020 -3.439 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CE3 . . . . . . . . . rr_2n28 1
. 1 . 1233 . 1 1 76 TRP CG C 7.527 -13.844 -5.781 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CG . . . . . . . . . rr_2n28 1
. 1 . 1234 . 1 1 76 TRP CH2 C 6.796 -13.512 -1.599 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CH2 . . . . . . . . . rr_2n28 1
. 1 . 1235 . 1 1 76 TRP CZ2 C 6.784 -12.431 -2.484 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CZ2 . . . . . . . . . rr_2n28 1
. 1 . 1236 . 1 1 76 TRP CZ3 C 7.061 -14.804 -2.075 . . . 1.0 . . . . . . . . . . . . A . 76 TRP CZ3 . . . . . . . . . rr_2n28 1
. 1 . 1237 . 1 1 76 TRP H H 9.049 -16.883 -7.944 . . . 1.0 . . . . . . . . . . . . A . 76 TRP H . . . . . . . . . rr_2n28 1
. 1 . 1238 . 1 1 76 TRP HA H 9.753 -14.130 -7.285 . . . 1.0 . . . . . . . . . . . . A . 76 TRP HA . . . . . . . . . rr_2n28 1
. 1 . 1239 . 1 1 76 TRP HB2 H 7.405 -14.702 -7.711 . . . 1.0 . . . . . . . . . . . . A . 76 TRP HB2 . . . . . . . . . rr_2n28 1
. 1 . 1240 . 1 1 76 TRP HB3 H 7.440 -15.868 -6.389 . . . 1.0 . . . . . . . . . . . . A . 76 TRP HB3 . . . . . . . . . rr_2n28 1
. 1 . 1241 . 1 1 76 TRP HD1 H 7.490 -12.116 -7.087 . . . 1.0 . . . . . . . . . . . . A . 76 TRP HD1 . . . . . . . . . rr_2n28 1
. 1 . 1242 . 1 1 76 TRP HE1 H 6.951 -10.859 -4.901 . . . 1.0 . . . . . . . . . . . . A . 76 TRP HE1 . . . . . . . . . rr_2n28 1
. 1 . 1243 . 1 1 76 TRP HE3 H 7.519 -16.020 -3.796 . . . 1.0 . . . . . . . . . . . . A . 76 TRP HE3 . . . . . . . . . rr_2n28 1
. 1 . 1244 . 1 1 76 TRP HH2 H 6.602 -13.352 -0.549 . . . 1.0 . . . . . . . . . . . . A . 76 TRP HH2 . . . . . . . . . rr_2n28 1
. 1 . 1245 . 1 1 76 TRP HZ2 H 6.580 -11.434 -2.123 . . . 1.0 . . . . . . . . . . . . A . 76 TRP HZ2 . . . . . . . . . rr_2n28 1
. 1 . 1246 . 1 1 76 TRP HZ3 H 7.070 -15.638 -1.389 . . . 1.0 . . . . . . . . . . . . A . 76 TRP HZ3 . . . . . . . . . rr_2n28 1
. 1 . 1247 . 1 1 76 TRP N N 9.675 -16.137 -7.842 . . . 1.0 . . . . . . . . . . . . A . 76 TRP N . . . . . . . . . rr_2n28 1
. 1 . 1248 . 1 1 76 TRP NE1 N 7.098 -11.826 -4.946 . . . 1.0 . . . . . . . . . . . . A . 76 TRP NE1 . . . . . . . . . rr_2n28 1
. 1 . 1249 . 1 1 76 TRP O O 9.634 -16.323 -4.880 . . . 1.0 . . . . . . . . . . . . A . 76 TRP O . . . . . . . . . rr_2n28 1
. 1 . 1250 . 1 1 77 ASP C C 10.771 -14.058 -2.723 . . . 1.0 . . . . . . . . . . . . A . 77 ASP C . . . . . . . . . rr_2n28 1
. 1 . 1251 . 1 1 77 ASP CA C 11.597 -14.666 -3.852 . . . 1.0 . . . . . . . . . . . . A . 77 ASP CA . . . . . . . . . rr_2n28 1
. 1 . 1252 . 1 1 77 ASP CB C 12.976 -14.002 -3.895 . . . 1.0 . . . . . . . . . . . . A . 77 ASP CB . . . . . . . . . rr_2n28 1
. 1 . 1253 . 1 1 77 ASP CG C 12.829 -12.488 -4.013 . . . 1.0 . . . . . . . . . . . . A . 77 ASP CG . . . . . . . . . rr_2n28 1
. 1 . 1254 . 1 1 77 ASP H H 11.164 -13.737 -5.708 . . . 1.0 . . . . . . . . . . . . A . 77 ASP H . . . . . . . . . rr_2n28 1
. 1 . 1255 . 1 1 77 ASP HA H 11.728 -15.721 -3.659 . . . 1.0 . . . . . . . . . . . . A . 77 ASP HA . . . . . . . . . rr_2n28 1
. 1 . 1256 . 1 1 77 ASP HB2 H 13.515 -14.239 -2.990 . . . 1.0 . . . . . . . . . . . . A . 77 ASP HB2 . . . . . . . . . rr_2n28 1
. 1 . 1257 . 1 1 77 ASP HB3 H 13.525 -14.374 -4.747 . . . 1.0 . . . . . . . . . . . . A . 77 ASP HB3 . . . . . . . . . rr_2n28 1
. 1 . 1258 . 1 1 77 ASP N N 10.923 -14.495 -5.135 . . . 1.0 . . . . . . . . . . . . A . 77 ASP N . . . . . . . . . rr_2n28 1
. 1 . 1259 . 1 1 77 ASP O O 9.686 -13.523 -2.952 . . . 1.0 . . . . . . . . . . . . A . 77 ASP O . . . . . . . . . rr_2n28 1
. 1 . 1260 . 1 1 77 ASP OD1 O 11.703 -12.021 -4.063 . . . 1.0 . . . . . . . . . . . . A . 77 ASP OD1 . . . . . . . . . rr_2n28 1
. 1 . 1261 . 1 1 77 ASP OD2 O 13.846 -11.816 -4.052 . . . 1.0 . . . . . . . . . . . . A . 77 ASP OD2 . . . . . . . . . rr_2n28 1
. 1 . 1262 . 1 1 78 VAL C C 10.608 -12.071 -0.391 . . . 1.0 . . . . . . . . . . . . A . 78 VAL C . . . . . . . . . rr_2n28 1
. 1 . 1263 . 1 1 78 VAL CA C 10.598 -13.595 -0.346 . . . 1.0 . . . . . . . . . . . . A . 78 VAL CA . . . . . . . . . rr_2n28 1
. 1 . 1264 . 1 1 78 VAL CB C 11.270 -14.075 0.941 . . . 1.0 . . . . . . . . . . . . A . 78 VAL CB . . . . . . . . . rr_2n28 1
. 1 . 1265 . 1 1 78 VAL CG1 C 11.198 -15.601 1.016 . . . 1.0 . . . . . . . . . . . . A . 78 VAL CG1 . . . . . . . . . rr_2n28 1
. 1 . 1266 . 1 1 78 VAL CG2 C 12.736 -13.635 0.944 . . . 1.0 . . . . . . . . . . . . A . 78 VAL CG2 . . . . . . . . . rr_2n28 1
. 1 . 1267 . 1 1 78 VAL H H 12.163 -14.578 -1.382 . . . 1.0 . . . . . . . . . . . . A . 78 VAL H . . . . . . . . . rr_2n28 1
. 1 . 1268 . 1 1 78 VAL HA H 9.575 -13.941 -0.354 . . . 1.0 . . . . . . . . . . . . A . 78 VAL HA . . . . . . . . . rr_2n28 1
. 1 . 1269 . 1 1 78 VAL HB H 10.763 -13.648 1.794 . . . 1.0 . . . . . . . . . . . . A . 78 VAL HB . . . . . . . . . rr_2n28 1
. 1 . 1270 . 1 1 78 VAL HG11 H 11.536 -15.930 1.988 . . . 1.0 . . . . . . . . . . . . A . 78 VAL HG11 . . . . . . . . . rr_2n28 1
. 1 . 1271 . 1 1 78 VAL HG12 H 11.830 -16.029 0.252 . . . 1.0 . . . . . . . . . . . . A . 78 VAL HG12 . . . . . . . . . rr_2n28 1
. 1 . 1272 . 1 1 78 VAL HG13 H 10.178 -15.921 0.862 . . . 1.0 . . . . . . . . . . . . A . 78 VAL HG13 . . . . . . . . . rr_2n28 1
. 1 . 1273 . 1 1 78 VAL HG21 H 13.215 -13.969 0.034 . . . 1.0 . . . . . . . . . . . . A . 78 VAL HG21 . . . . . . . . . rr_2n28 1
. 1 . 1274 . 1 1 78 VAL HG22 H 13.241 -14.069 1.795 . . . 1.0 . . . . . . . . . . . . A . 78 VAL HG22 . . . . . . . . . rr_2n28 1
. 1 . 1275 . 1 1 78 VAL HG23 H 12.790 -12.558 1.004 . . . 1.0 . . . . . . . . . . . . A . 78 VAL HG23 . . . . . . . . . rr_2n28 1
. 1 . 1276 . 1 1 78 VAL N N 11.293 -14.143 -1.504 . . . 1.0 . . . . . . . . . . . . A . 78 VAL N . . . . . . . . . rr_2n28 1
. 1 . 1277 . 1 1 78 VAL O O 9.734 -11.417 0.179 . . . 1.0 . . . . . . . . . . . . A . 78 VAL O . . . . . . . . . rr_2n28 1
. 1 . 1278 . 1 1 79 ASP C C 10.903 -9.552 -2.371 . . . 1.0 . . . . . . . . . . . . A . 79 ASP C . . . . . . . . . rr_2n28 1
. 1 . 1279 . 1 1 79 ASP CA C 11.725 -10.061 -1.192 . . . 1.0 . . . . . . . . . . . . A . 79 ASP CA . . . . . . . . . rr_2n28 1
. 1 . 1280 . 1 1 79 ASP CB C 13.193 -9.678 -1.390 . . . 1.0 . . . . . . . . . . . . A . 79 ASP CB . . . . . . . . . rr_2n28 1
. 1 . 1281 . 1 1 79 ASP CG C 13.328 -8.162 -1.479 . . . 1.0 . . . . . . . . . . . . A . 79 ASP CG . . . . . . . . . rr_2n28 1
. 1 . 1282 . 1 1 79 ASP H H 12.270 -12.086 -1.505 . . . 1.0 . . . . . . . . . . . . A . 79 ASP H . . . . . . . . . rr_2n28 1
. 1 . 1283 . 1 1 79 ASP HA H 11.364 -9.598 -0.285 . . . 1.0 . . . . . . . . . . . . A . 79 ASP HA . . . . . . . . . rr_2n28 1
. 1 . 1284 . 1 1 79 ASP HB2 H 13.773 -10.041 -0.554 . . . 1.0 . . . . . . . . . . . . A . 79 ASP HB2 . . . . . . . . . rr_2n28 1
. 1 . 1285 . 1 1 79 ASP HB3 H 13.561 -10.123 -2.302 . . . 1.0 . . . . . . . . . . . . A . 79 ASP HB3 . . . . . . . . . rr_2n28 1
. 1 . 1286 . 1 1 79 ASP N N 11.604 -11.512 -1.073 . . . 1.0 . . . . . . . . . . . . A . 79 ASP N . . . . . . . . . rr_2n28 1
. 1 . 1287 . 1 1 79 ASP O O 11.269 -9.754 -3.529 . . . 1.0 . . . . . . . . . . . . A . 79 ASP O . . . . . . . . . rr_2n28 1
. 1 . 1288 . 1 1 79 ASP OD1 O 13.092 -7.506 -0.477 . . . 1.0 . . . . . . . . . . . . A . 79 ASP OD1 . . . . . . . . . rr_2n28 1
. 1 . 1289 . 1 1 79 ASP OD2 O 13.665 -7.678 -2.547 . . . 1.0 . . . . . . . . . . . . A . 79 ASP OD2 . . . . . . . . . rr_2n28 1
. 1 . 1290 . 1 1 80 ASP C C 9.424 -6.993 -3.586 . . . 1.0 . . . . . . . . . . . . A . 80 ASP C . . . . . . . . . rr_2n28 1
. 1 . 1291 . 1 1 80 ASP CA C 8.921 -8.353 -3.113 . . . 1.0 . . . . . . . . . . . . A . 80 ASP CA . . . . . . . . . rr_2n28 1
. 1 . 1292 . 1 1 80 ASP CB C 7.493 -8.215 -2.581 . . . 1.0 . . . . . . . . . . . . A . 80 ASP CB . . . . . . . . . rr_2n28 1
. 1 . 1293 . 1 1 80 ASP CG C 7.443 -7.164 -1.476 . . . 1.0 . . . . . . . . . . . . A . 80 ASP CG . . . . . . . . . rr_2n28 1
. 1 . 1294 . 1 1 80 ASP H H 9.550 -8.758 -1.129 . . . 1.0 . . . . . . . . . . . . A . 80 ASP H . . . . . . . . . rr_2n28 1
. 1 . 1295 . 1 1 80 ASP HA H 8.913 -9.034 -3.952 . . . 1.0 . . . . . . . . . . . . A . 80 ASP HA . . . . . . . . . rr_2n28 1
. 1 . 1296 . 1 1 80 ASP HB2 H 6.838 -7.918 -3.388 . . . 1.0 . . . . . . . . . . . . A . 80 ASP HB2 . . . . . . . . . rr_2n28 1
. 1 . 1297 . 1 1 80 ASP HB3 H 7.165 -9.164 -2.185 . . . 1.0 . . . . . . . . . . . . A . 80 ASP HB3 . . . . . . . . . rr_2n28 1
. 1 . 1298 . 1 1 80 ASP N N 9.791 -8.889 -2.070 . . . 1.0 . . . . . . . . . . . . A . 80 ASP N . . . . . . . . . rr_2n28 1
. 1 . 1299 . 1 1 80 ASP O O 8.807 -6.354 -4.439 . . . 1.0 . . . . . . . . . . . . A . 80 ASP O . . . . . . . . . rr_2n28 1
. 1 . 1300 . 1 1 80 ASP OD1 O 8.479 -6.592 -1.180 . . . 1.0 . . . . . . . . . . . . A . 80 ASP OD1 . . . . . . . . . rr_2n28 1
. 1 . 1301 . 1 1 80 ASP OD2 O 6.367 -6.947 -0.941 . . . 1.0 . . . . . . . . . . . . A . 80 ASP OD2 . . . . . . . . . rr_2n28 1
. 1 . 1302 . 1 1 81 LEU C C 10.073 -4.171 -3.311 . . . 1.0 . . . . . . . . . . . . A . 81 LEU C . . . . . . . . . rr_2n28 1
. 1 . 1303 . 1 1 81 LEU CA C 11.126 -5.272 -3.401 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CA . . . . . . . . . rr_2n28 1
. 1 . 1304 . 1 1 81 LEU CB C 11.686 -5.351 -4.828 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CB . . . . . . . . . rr_2n28 1
. 1 . 1305 . 1 1 81 LEU CD1 C 13.443 -3.618 -4.304 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CD1 . . . . . . . . . rr_2n28 1
. 1 . 1306 . 1 1 81 LEU CD2 C 12.826 -4.126 -6.682 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CD2 . . . . . . . . . rr_2n28 1
. 1 . 1307 . 1 1 81 LEU CG C 12.292 -4.002 -5.249 . . . 1.0 . . . . . . . . . . . . A . 81 LEU CG . . . . . . . . . rr_2n28 1
. 1 . 1308 . 1 1 81 LEU H H 10.997 -7.110 -2.355 . . . 1.0 . . . . . . . . . . . . A . 81 LEU H . . . . . . . . . rr_2n28 1
. 1 . 1309 . 1 1 81 LEU HA H 11.932 -5.043 -2.721 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HA . . . . . . . . . rr_2n28 1
. 1 . 1310 . 1 1 81 LEU HB2 H 12.450 -6.113 -4.868 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HB2 . . . . . . . . . rr_2n28 1
. 1 . 1311 . 1 1 81 LEU HB3 H 10.889 -5.610 -5.509 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HB3 . . . . . . . . . rr_2n28 1
. 1 . 1312 . 1 1 81 LEU HD11 H 14.115 -2.934 -4.805 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD11 . . . . . . . . . rr_2n28 1
. 1 . 1313 . 1 1 81 LEU HD12 H 13.988 -4.504 -4.011 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD12 . . . . . . . . . rr_2n28 1
. 1 . 1314 . 1 1 81 LEU HD13 H 13.040 -3.136 -3.425 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD13 . . . . . . . . . rr_2n28 1
. 1 . 1315 . 1 1 81 LEU HD21 H 11.996 -4.166 -7.372 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD21 . . . . . . . . . rr_2n28 1
. 1 . 1316 . 1 1 81 LEU HD22 H 13.411 -5.029 -6.771 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD22 . . . . . . . . . rr_2n28 1
. 1 . 1317 . 1 1 81 LEU HD23 H 13.444 -3.271 -6.911 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HD23 . . . . . . . . . rr_2n28 1
. 1 . 1318 . 1 1 81 LEU HG H 11.532 -3.236 -5.218 . . . 1.0 . . . . . . . . . . . . A . 81 LEU HG . . . . . . . . . rr_2n28 1
. 1 . 1319 . 1 1 81 LEU N N 10.549 -6.557 -3.027 . . . 1.0 . . . . . . . . . . . . A . 81 LEU N . . . . . . . . . rr_2n28 1
. 1 . 1320 . 1 1 81 LEU O O 10.050 -3.480 -2.306 . . . 1.0 . . . . . . . . . . . . A . 81 LEU O . . . . . . . . . rr_2n28 1
. 1 . 1321 . 1 1 81 LEU OXT O 9.305 -4.036 -4.249 . . . 1.0 . . . . . . . . . . . . A . 81 LEU OXT . . . . . . . . . rr_2n28 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_2n28
_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 2n28.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2n28 1
1 2n28.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 90 rr_2n28 1
1 2n28.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 57 rr_2n28 1
1 2n28.mr . . XPLOR/CNS 4 distance "general distance" simple 16 rr_2n28 1
1 2n28.mr . . XPLOR/CNS 5 distance PRE "Not applicable" 0 rr_2n28 1
1 2n28.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2n28 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_2n28
_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: '2n28'" . . . . distance "general distance" . 0 rr_2n28 1
2 "From CCPN project: '2n28'" . . . . distance "general distance" . 0 rr_2n28 1
3 "From CCPN project: '2n28'" . . . . "dihedral angle" "Not applicable" . 90 rr_2n28 1
4 "From CCPN project: '2n28'" . . . . rdc "Not applicable" . 57 rr_2n28 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 2n28.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2n28 1
1 2n28.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 90 rr_2n28 1
1 2n28.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 57 rr_2n28 1
1 2n28.mr . . XPLOR/CNS 4 distance "general distance" simple 16 rr_2n28 1
1 2n28.mr . . XPLOR/CNS 5 distance PRE "Not applicable" 0 rr_2n28 1
1 2n28.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2n28 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_2n28
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "general distance"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2n28 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
;echo=false
wrnlev=0
;
1 1 2 16 rr_2n28 1
2
;CaH(i)-NH(j) long range
A
;
3 1 4 4 rr_2n28 1
3 S 10 1 10 4 rr_2n28 1
4 G 15 1 15 4 rr_2n28 1
5 Y 19 1 19 4 rr_2n28 1
6 R 21 1 21 4 rr_2n28 1
7 K 23 1 23 4 rr_2n28 1
8 V 25 1 25 4 rr_2n28 1
9
;echo=true
wrnlev=5
;
27 1 28 16 rr_2n28 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 4 1 1 "Not handling restraint 1, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
2 4 2 1 "Not handling restraint 2, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
3 4 3 1 "Not handling restraint 3, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
4 4 4 1 "Not handling restraint 4, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
5 4 5 1 "Not handling restraint 5, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
6 4 6 1 "Not handling restraint 6, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
7 4 7 1 "Not handling restraint 7, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
8 4 8 1 "Not handling restraint 8, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
9 4 9 1 "Not handling restraint 9, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
10 4 10 1 "Not handling restraint 10, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
11 4 10 1 "Not handling restraint 10, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
12 4 11 1 "Not handling restraint 11, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
13 4 11 1 "Not handling restraint 11, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
14 4 12 1 "Not handling restraint 12, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
15 4 12 1 "Not handling restraint 12, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
16 4 13 1 "Not handling restraint 13, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
17 4 14 1 "Not handling restraint 14, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
18 4 15 1 "Not handling restraint 15, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
19 4 16 1 "Not handling restraint 16, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID rr_2n28
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type PRE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 5
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_2n28 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1
;R
assign (resid 30 and name HG# ) 1 4.0 4.0
;
41 1 42 52 rr_2n28 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 "assign (resid 64 and name HG# ) 2.5 2.5 2" 6 1 6 49 rr_2n28 2
2 "assign (resid 68 and name HG# ) 3 3 2" 7 1 7 45 rr_2n28 2
3 "assign (resid 78 and name HG# ) 3 3 2" 8 1 8 45 rr_2n28 2
4 "assign (resid 74 and name HA ) 9 5 5" 10 1 10 45 rr_2n28 2
5 "assign (resid 7 and name HA ) -20 15 5" 11 1 11 48 rr_2n28 2
6 "assign (resid 56 and name HA ) 1 3 3" 17 1 17 44 rr_2n28 2
7 "assign (resid 52 and name HA ) 0 3 3" 18 1 18 44 rr_2n28 2
8 "assign (resid 61 and name HA ) 3 2 2" 19 1 19 44 rr_2n28 2
9 "assign (resid 81 and name HG ) 2.5 4 4" 36 1 36 47 rr_2n28 2
10 "assign (resid 76 and name HB# ) 5.5 5.5 4" 40 1 40 48 rr_2n28 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_2n28
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_2n28 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
;echo=false
wrnlev=0
;
1 1 2 16 rr_2n28 1
2
;CaH(i)-NH(j) long range
A
;
3 1 4 4 rr_2n28 1
3 S 10 1 10 4 rr_2n28 1
4 G 15 1 15 4 rr_2n28 1
5 Y 19 1 19 4 rr_2n28 1
6 R 21 1 21 4 rr_2n28 1
7 K 23 1 23 4 rr_2n28 1
8 V 25 1 25 4 rr_2n28 1
9
;echo=true
wrnlev=5
;
27 1 28 16 rr_2n28 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 4 1 1 "Not handling restraint 1, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
2 4 2 1 "Not handling restraint 2, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
3 4 3 1 "Not handling restraint 3, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
4 4 4 1 "Not handling restraint 4, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
5 4 5 1 "Not handling restraint 5, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
6 4 6 1 "Not handling restraint 6, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
7 4 7 1 "Not handling restraint 7, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
8 4 8 1 "Not handling restraint 8, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
9 4 9 1 "Not handling restraint 9, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
10 4 10 1 "Not handling restraint 10, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
11 4 10 1 "Not handling restraint 10, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
12 4 11 1 "Not handling restraint 11, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
13 4 11 1 "Not handling restraint 11, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
14 4 12 1 "Not handling restraint 12, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
15 4 12 1 "Not handling restraint 12, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
16 4 13 1 "Not handling restraint 13, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
17 4 14 1 "Not handling restraint 14, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
18 4 15 1 "Not handling restraint 15, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
19 4 16 1 "Not handling restraint 16, item 1, resonance(s) ' .41.OS1' (nmrStar names) not linked" rr_2n28 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Entry_ID rr_2n28
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type PRE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
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_2n28 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;R
assign (resid 30 and name HG# ) 1 4.0 4.0
;
41 1 42 52 rr_2n28 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 "assign (resid 64 and name HG# ) 2.5 2.5 2" 6 1 6 49 rr_2n28 2
2 "assign (resid 68 and name HG# ) 3 3 2" 7 1 7 45 rr_2n28 2
3 "assign (resid 78 and name HG# ) 3 3 2" 8 1 8 45 rr_2n28 2
4 "assign (resid 74 and name HA ) 9 5 5" 10 1 10 45 rr_2n28 2
5 "assign (resid 7 and name HA ) -20 15 5" 11 1 11 48 rr_2n28 2
6 "assign (resid 56 and name HA ) 1 3 3" 17 1 17 44 rr_2n28 2
7 "assign (resid 52 and name HA ) 0 3 3" 18 1 18 44 rr_2n28 2
8 "assign (resid 61 and name HA ) 3 2 2" 19 1 19 44 rr_2n28 2
9 "assign (resid 81 and name HG ) 2.5 4 4" 36 1 36 47 rr_2n28 2
10 "assign (resid 76 and name HB# ) 5.5 5.5 4" 40 1 40 48 rr_2n28 2
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Entry_ID rr_2n28
_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_2n28 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 . . 1 1 8 8 ILE C C . . 1 1 9 9 VAL N N . . 1 1 9 9 VAL CA C . . 1 1 9 9 VAL C C . -74.31 -54.31 . . . A . 8 ILE C . . A . 9 VAL N . . A . 9 VAL CA . . A . 9 VAL C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . rr_2n28 1
2 . . 1 1 9 9 VAL C C . . 1 1 10 10 ALA N N . . 1 1 10 10 ALA CA C . . 1 1 10 10 ALA C C . -74.34 -54.34 . . . A . 9 VAL C . . A . 10 ALA N . . A . 10 ALA CA . . A . 10 ALA C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . rr_2n28 1
3 . . 1 1 10 10 ALA C C . . 1 1 11 11 LEU N N . . 1 1 11 11 LEU CA C . . 1 1 11 11 LEU C C . -71.46 -51.46 . . . A . 10 ALA C . . A . 11 LEU N . . A . 11 LEU CA . . A . 11 LEU C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_2n28 1
4 . . 1 1 11 11 LEU C C . . 1 1 12 12 VAL N N . . 1 1 12 12 VAL CA C . . 1 1 12 12 VAL C C . -74.26 -54.26 . . . A . 11 LEU C . . A . 12 VAL N . . A . 12 VAL CA . . A . 12 VAL C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_2n28 1
5 . . 1 1 12 12 VAL C C . . 1 1 13 13 VAL N N . . 1 1 13 13 VAL CA C . . 1 1 13 13 VAL C C . -73.08 -53.08 . . . A . 12 VAL C . . A . 13 VAL N . . A . 13 VAL CA . . A . 13 VAL C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . rr_2n28 1
6 . . 1 1 13 13 VAL C C . . 1 1 14 14 ALA N N . . 1 1 14 14 ALA CA C . . 1 1 14 14 ALA C C . -70.90 -50.90 . . . A . 13 VAL C . . A . 14 ALA N . . A . 14 ALA CA . . A . 14 ALA C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . rr_2n28 1
7 . . 1 1 14 14 ALA C C . . 1 1 15 15 ILE N N . . 1 1 15 15 ILE CA C . . 1 1 15 15 ILE C C . -74.38 -54.38 . . . A . 14 ALA C . . A . 15 ILE N . . A . 15 ILE CA . . A . 15 ILE C . . . 14 . C . . . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . rr_2n28 1
8 . . 1 1 15 15 ILE C C . . 1 1 16 16 ILE N N . . 1 1 16 16 ILE CA C . . 1 1 16 16 ILE C C . -71.36 -51.36 . . . A . 15 ILE C . . A . 16 ILE N . . A . 16 ILE CA . . A . 16 ILE C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . rr_2n28 1
9 . . 1 1 16 16 ILE C C . . 1 1 17 17 ILE N N . . 1 1 17 17 ILE CA C . . 1 1 17 17 ILE C C . -74.31 -54.31 . . . A . 16 ILE C . . A . 17 ILE N . . A . 17 ILE CA . . A . 17 ILE C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . rr_2n28 1
10 . . 1 1 17 17 ILE C C . . 1 1 18 18 ALA N N . . 1 1 18 18 ALA CA C . . 1 1 18 18 ALA C C . -77.18 -57.18 . . . A . 17 ILE C . . A . 18 ALA N . . A . 18 ALA CA . . A . 18 ALA C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_2n28 1
11 . . 1 1 18 18 ALA C C . . 1 1 19 19 ILE N N . . 1 1 19 19 ILE CA C . . 1 1 19 19 ILE C C . -78.00 -58.00 . . . A . 18 ALA C . . A . 19 ILE N . . A . 19 ILE CA . . A . 19 ILE C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . rr_2n28 1
12 . . 1 1 19 19 ILE C C . . 1 1 20 20 VAL N N . . 1 1 20 20 VAL CA C . . 1 1 20 20 VAL C C . -71.92 -51.92 . . . A . 19 ILE C . . A . 20 VAL N . . A . 20 VAL CA . . A . 20 VAL C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . rr_2n28 1
13 . . 1 1 20 20 VAL C C . . 1 1 21 21 VAL N N . . 1 1 21 21 VAL CA C . . 1 1 21 21 VAL C C . -80.72 -60.72 . . . A . 20 VAL C . . A . 21 VAL N . . A . 21 VAL CA . . A . 21 VAL C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . rr_2n28 1
14 . . 1 1 21 21 VAL C C . . 1 1 22 22 TRP N N . . 1 1 22 22 TRP CA C . . 1 1 22 22 TRP C C . -101.70 -81.70 . . . A . 21 VAL C . . A . 22 TRP N . . A . 22 TRP CA . . A . 22 TRP C . . . 21 . C . . . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . rr_2n28 1
15 . . 1 1 22 22 TRP C C . . 1 1 23 23 SER N N . . 1 1 23 23 SER CA C . . 1 1 23 23 SER C C . -86.90 -46.90 . . . A . 22 TRP C . . A . 23 SER N . . A . 23 SER CA . . A . 23 SER C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . rr_2n28 1
16 . . 1 1 23 23 SER C C . . 1 1 24 24 ILE N N . . 1 1 24 24 ILE CA C . . 1 1 24 24 ILE C C . -82.26 -42.26 . . . A . 23 SER C . . A . 24 ILE N . . A . 24 ILE CA . . A . 24 ILE C . . . 23 . C . . . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . rr_2n28 1
17 . . 1 1 24 24 ILE C C . . 1 1 25 25 VAL N N . . 1 1 25 25 VAL CA C . . 1 1 25 25 VAL C C . -87.00 -47.00 . . . A . 24 ILE C . . A . 25 VAL N . . A . 25 VAL CA . . A . 25 VAL C . . . 24 . C . . . . . 25 . N . . . . . 25 . CA . . . . . 25 . C . . rr_2n28 1
18 . . 1 1 25 25 VAL C C . . 1 1 26 26 ILE N N . . 1 1 26 26 ILE CA C . . 1 1 26 26 ILE C C . -81.55 -41.55 . . . A . 25 VAL C . . A . 26 ILE N . . A . 26 ILE CA . . A . 26 ILE C . . . 25 . C . . . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . rr_2n28 1
19 . . 1 1 26 26 ILE C C . . 1 1 27 27 ILE N N . . 1 1 27 27 ILE CA C . . 1 1 27 27 ILE C C . -85.19 -45.19 . . . A . 26 ILE C . . A . 27 ILE N . . A . 27 ILE CA . . A . 27 ILE C . . . 26 . C . . . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . rr_2n28 1
20 . . 1 1 34 34 ARG C C . . 1 1 35 35 GLN N N . . 1 1 35 35 GLN CA C . . 1 1 35 35 GLN C C . -71.18 -51.18 . . . A . 34 ARG C . . A . 35 GLN N . . A . 35 GLN CA . . A . 35 GLN C . . . 34 . C . . . . . 35 . N . . . . . 35 . CA . . . . . 35 . C . . rr_2n28 1
21 . . 1 1 35 35 GLN C C . . 1 1 36 36 ARG N N . . 1 1 36 36 ARG CA C . . 1 1 36 36 ARG C C . -72.25 -52.25 . . . A . 35 GLN C . . A . 36 ARG N . . A . 36 ARG CA . . A . 36 ARG C . . . 35 . C . . . . . 36 . N . . . . . 36 . CA . . . . . 36 . C . . rr_2n28 1
22 . . 1 1 36 36 ARG C C . . 1 1 37 37 LYS N N . . 1 1 37 37 LYS CA C . . 1 1 37 37 LYS C C . -72.90 -52.90 . . . A . 36 ARG C . . A . 37 LYS N . . A . 37 LYS CA . . A . 37 LYS C . . . 36 . C . . . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . rr_2n28 1
23 . . 1 1 37 37 LYS C C . . 1 1 38 38 ILE N N . . 1 1 38 38 ILE CA C . . 1 1 38 38 ILE C C . -72.23 -52.23 . . . A . 37 LYS C . . A . 38 ILE N . . A . 38 ILE CA . . A . 38 ILE C . . . 37 . C . . . . . 38 . N . . . . . 38 . CA . . . . . 38 . C . . rr_2n28 1
24 . . 1 1 38 38 ILE C C . . 1 1 39 39 ASP N N . . 1 1 39 39 ASP CA C . . 1 1 39 39 ASP C C . -82.39 -62.39 . . . A . 38 ILE C . . A . 39 ASP N . . A . 39 ASP CA . . A . 39 ASP C . . . 38 . C . . . . . 39 . N . . . . . 39 . CA . . . . . 39 . C . . rr_2n28 1
25 . . 1 1 39 39 ASP C C . . 1 1 40 40 ARG N N . . 1 1 40 40 ARG CA C . . 1 1 40 40 ARG C C . -104.45 -84.45 . . . A . 39 ASP C . . A . 40 ARG N . . A . 40 ARG CA . . A . 40 ARG C . . . 39 . C . . . . . 40 . N . . . . . 40 . CA . . . . . 40 . C . . rr_2n28 1
26 . . 1 1 40 40 ARG C C . . 1 1 41 41 LEU N N . . 1 1 41 41 LEU CA C . . 1 1 41 41 LEU C C . -74.01 -54.01 . . . A . 40 ARG C . . A . 41 LEU N . . A . 41 LEU CA . . A . 41 LEU C . . . 40 . C . . . . . 41 . N . . . . . 41 . CA . . . . . 41 . C . . rr_2n28 1
27 . . 1 1 41 41 LEU C C . . 1 1 42 42 ILE N N . . 1 1 42 42 ILE CA C . . 1 1 42 42 ILE C C . -73.77 -53.77 . . . A . 41 LEU C . . A . 42 ILE N . . A . 42 ILE CA . . A . 42 ILE C . . . 41 . C . . . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . rr_2n28 1
28 . . 1 1 42 42 ILE C C . . 1 1 43 43 ASP N N . . 1 1 43 43 ASP CA C . . 1 1 43 43 ASP C C . -77.78 -57.78 . . . A . 42 ILE C . . A . 43 ASP N . . A . 43 ASP CA . . A . 43 ASP C . . . 42 . C . . . . . 43 . N . . . . . 43 . CA . . . . . 43 . C . . rr_2n28 1
29 . . 1 1 43 43 ASP C C . . 1 1 44 44 ARG N N . . 1 1 44 44 ARG CA C . . 1 1 44 44 ARG C C . -83.13 -63.13 . . . A . 43 ASP C . . A . 44 ARG N . . A . 44 ARG CA . . A . 44 ARG C . . . 43 . C . . . . . 44 . N . . . . . 44 . CA . . . . . 44 . C . . rr_2n28 1
30 . . 1 1 44 44 ARG C C . . 1 1 45 45 LEU N N . . 1 1 45 45 LEU CA C . . 1 1 45 45 LEU C C . -71.63 -51.63 . . . A . 44 ARG C . . A . 45 LEU N . . A . 45 LEU CA . . A . 45 LEU C . . . 44 . C . . . . . 45 . N . . . . . 45 . CA . . . . . 45 . C . . rr_2n28 1
31 . . 1 1 45 45 LEU C C . . 1 1 46 46 ILE N N . . 1 1 46 46 ILE CA C . . 1 1 46 46 ILE C C . -82.91 -42.91 . . . A . 45 LEU C . . A . 46 ILE N . . A . 46 ILE CA . . A . 46 ILE C . . . 45 . C . . . . . 46 . N . . . . . 46 . CA . . . . . 46 . C . . rr_2n28 1
32 . . 1 1 46 46 ILE C C . . 1 1 47 47 GLU N N . . 1 1 47 47 GLU CA C . . 1 1 47 47 GLU C C . -83.17 -43.17 . . . A . 46 ILE C . . A . 47 GLU N . . A . 47 GLU CA . . A . 47 GLU C . . . 46 . C . . . . . 47 . N . . . . . 47 . CA . . . . . 47 . C . . rr_2n28 1
33 . . 1 1 47 47 GLU C C . . 1 1 48 48 ARG N N . . 1 1 48 48 ARG CA C . . 1 1 48 48 ARG C C . -106.97 -66.97 . . . A . 47 GLU C . . A . 48 ARG N . . A . 48 ARG CA . . A . 48 ARG C . . . 47 . C . . . . . 48 . N . . . . . 48 . CA . . . . . 48 . C . . rr_2n28 1
34 . . 1 1 58 58 GLY C C . . 1 1 59 59 GLU N N . . 1 1 59 59 GLU CA C . . 1 1 59 59 GLU C C . -83.46 -43.46 . . . A . 58 GLY C . . A . 59 GLU N . . A . 59 GLU CA . . A . 59 GLU C . . . 58 . C . . . . . 59 . N . . . . . 59 . CA . . . . . 59 . C . . rr_2n28 1
35 . . 1 1 59 59 GLU C C . . 1 1 60 60 ILE N N . . 1 1 60 60 ILE CA C . . 1 1 60 60 ILE C C . -78.42 -58.42 . . . A . 59 GLU C . . A . 60 ILE N . . A . 60 ILE CA . . A . 60 ILE C . . . 59 . C . . . . . 60 . N . . . . . 60 . CA . . . . . 60 . C . . rr_2n28 1
36 . . 1 1 60 60 ILE C C . . 1 1 61 61 SER N N . . 1 1 61 61 SER CA C . . 1 1 61 61 SER C C . -85.00 -65.00 . . . A . 60 ILE C . . A . 61 SER N . . A . 61 SER CA . . A . 61 SER C . . . 60 . C . . . . . 61 . N . . . . . 61 . CA . . . . . 61 . C . . rr_2n28 1
37 . . 1 1 61 61 SER C C . . 1 1 62 62 ALA N N . . 1 1 62 62 ALA CA C . . 1 1 62 62 ALA C C . -86.73 -66.73 . . . A . 61 SER C . . A . 62 ALA N . . A . 62 ALA CA . . A . 62 ALA C . . . 61 . C . . . . . 62 . N . . . . . 62 . CA . . . . . 62 . C . . rr_2n28 1
38 . . 1 1 62 62 ALA C C . . 1 1 63 63 LEU N N . . 1 1 63 63 LEU CA C . . 1 1 63 63 LEU C C . -87.75 -67.75 . . . A . 62 ALA C . . A . 63 LEU N . . A . 63 LEU CA . . A . 63 LEU C . . . 62 . C . . . . . 63 . N . . . . . 63 . CA . . . . . 63 . C . . rr_2n28 1
39 . . 1 1 63 63 LEU C C . . 1 1 64 64 VAL N N . . 1 1 64 64 VAL CA C . . 1 1 64 64 VAL C C . -70.23 -50.23 . . . A . 63 LEU C . . A . 64 VAL N . . A . 64 VAL CA . . A . 64 VAL C . . . 63 . C . . . . . 64 . N . . . . . 64 . CA . . . . . 64 . C . . rr_2n28 1
40 . . 1 1 64 64 VAL C C . . 1 1 65 65 GLU N N . . 1 1 65 65 GLU CA C . . 1 1 65 65 GLU C C . -81.87 -61.87 . . . A . 64 VAL C . . A . 65 GLU N . . A . 65 GLU CA . . A . 65 GLU C . . . 64 . C . . . . . 65 . N . . . . . 65 . CA . . . . . 65 . C . . rr_2n28 1
41 . . 1 1 65 65 GLU C C . . 1 1 66 66 LEU N N . . 1 1 66 66 LEU CA C . . 1 1 66 66 LEU C C . -77.21 -57.21 . . . A . 65 GLU C . . A . 66 LEU N . . A . 66 LEU CA . . A . 66 LEU C . . . 65 . C . . . . . 66 . N . . . . . 66 . CA . . . . . 66 . C . . rr_2n28 1
42 . . 1 1 66 66 LEU C C . . 1 1 67 67 GLY N N . . 1 1 67 67 GLY CA C . . 1 1 67 67 GLY C C . -97.22 -77.22 . . . A . 66 LEU C . . A . 67 GLY N . . A . 67 GLY CA . . A . 67 GLY C . . . 66 . C . . . . . 67 . N . . . . . 67 . CA . . . . . 67 . C . . rr_2n28 1
43 . . 1 1 67 67 GLY C C . . 1 1 68 68 VAL N N . . 1 1 68 68 VAL CA C . . 1 1 68 68 VAL C C . -90.00 -70.00 . . . A . 67 GLY C . . A . 68 VAL N . . A . 68 VAL CA . . A . 68 VAL C . . . 67 . C . . . . . 68 . N . . . . . 68 . CA . . . . . 68 . C . . rr_2n28 1
44 . . 1 1 68 68 VAL C C . . 1 1 69 69 GLU N N . . 1 1 69 69 GLU CA C . . 1 1 69 69 GLU C C . -80.20 -60.20 . . . A . 68 VAL C . . A . 69 GLU N . . A . 69 GLU CA . . A . 69 GLU C . . . 68 . C . . . . . 69 . N . . . . . 69 . CA . . . . . 69 . C . . rr_2n28 1
45 . . 1 1 69 69 GLU C C . . 1 1 70 70 LEU N N . . 1 1 70 70 LEU CA C . . 1 1 70 70 LEU C C . -75.67 -55.67 . . . A . 69 GLU C . . A . 70 LEU N . . A . 70 LEU CA . . A . 70 LEU C . . . 69 . C . . . . . 70 . N . . . . . 70 . CA . . . . . 70 . C . . rr_2n28 1
46 . . 1 1 9 9 VAL N N . . 1 1 9 9 VAL CA C . . 1 1 9 9 VAL C C . . 1 1 10 10 ALA N N . -53.25 -33.25 . . . A . 9 VAL N . . A . 9 VAL CA . . A . 9 VAL C . . A . 10 ALA N . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . . . . 10 . N . . rr_2n28 1
47 . . 1 1 10 10 ALA N N . . 1 1 10 10 ALA CA C . . 1 1 10 10 ALA C C . . 1 1 11 11 LEU N N . -42.75 -22.75 . . . A . 10 ALA N . . A . 10 ALA CA . . A . 10 ALA C . . A . 11 LEU N . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . . . . 11 . N . . rr_2n28 1
48 . . 1 1 11 11 LEU N N . . 1 1 11 11 LEU CA C . . 1 1 11 11 LEU C C . . 1 1 12 12 VAL N N . -51.01 -31.01 . . . A . 11 LEU N . . A . 11 LEU CA . . A . 11 LEU C . . A . 12 VAL N . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . . . . 12 . N . . rr_2n28 1
49 . . 1 1 12 12 VAL N N . . 1 1 12 12 VAL CA C . . 1 1 12 12 VAL C C . . 1 1 13 13 VAL N N . -53.37 -33.37 . . . A . 12 VAL N . . A . 12 VAL CA . . A . 12 VAL C . . A . 13 VAL N . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . . . . 13 . N . . rr_2n28 1
50 . . 1 1 13 13 VAL N N . . 1 1 13 13 VAL CA C . . 1 1 13 13 VAL C C . . 1 1 14 14 ALA N N . -54.12 -34.12 . . . A . 13 VAL N . . A . 13 VAL CA . . A . 13 VAL C . . A . 14 ALA N . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . . . . 14 . N . . rr_2n28 1
51 . . 1 1 14 14 ALA N N . . 1 1 14 14 ALA CA C . . 1 1 14 14 ALA C C . . 1 1 15 15 ILE N N . -53.31 -33.31 . . . A . 14 ALA N . . A . 14 ALA CA . . A . 14 ALA C . . A . 15 ILE N . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . . . . 15 . N . . rr_2n28 1
52 . . 1 1 15 15 ILE N N . . 1 1 15 15 ILE CA C . . 1 1 15 15 ILE C C . . 1 1 16 16 ILE N N . -52.08 -32.08 . . . A . 15 ILE N . . A . 15 ILE CA . . A . 15 ILE C . . A . 16 ILE N . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . . . . 16 . N . . rr_2n28 1
53 . . 1 1 16 16 ILE N N . . 1 1 16 16 ILE CA C . . 1 1 16 16 ILE C C . . 1 1 17 17 ILE N N . -51.10 -31.10 . . . A . 16 ILE N . . A . 16 ILE CA . . A . 16 ILE C . . A . 17 ILE N . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . . . . 17 . N . . rr_2n28 1
54 . . 1 1 17 17 ILE N N . . 1 1 17 17 ILE CA C . . 1 1 17 17 ILE C C . . 1 1 18 18 ALA N N . -50.34 -30.34 . . . A . 17 ILE N . . A . 17 ILE CA . . A . 17 ILE C . . A . 18 ALA N . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . . . . 18 . N . . rr_2n28 1
55 . . 1 1 18 18 ALA N N . . 1 1 18 18 ALA CA C . . 1 1 18 18 ALA C C . . 1 1 19 19 ILE N N . -50.67 -30.67 . . . A . 18 ALA N . . A . 18 ALA CA . . A . 18 ALA C . . A . 19 ILE N . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . . . . 19 . N . . rr_2n28 1
56 . . 1 1 19 19 ILE N N . . 1 1 19 19 ILE CA C . . 1 1 19 19 ILE C C . . 1 1 20 20 VAL N N . -51.12 -31.12 . . . A . 19 ILE N . . A . 19 ILE CA . . A . 19 ILE C . . A . 20 VAL N . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . . . . 20 . N . . rr_2n28 1
57 . . 1 1 20 20 VAL N N . . 1 1 20 20 VAL CA C . . 1 1 20 20 VAL C C . . 1 1 21 21 VAL N N . -55.09 -35.09 . . . A . 20 VAL N . . A . 20 VAL CA . . A . 20 VAL C . . A . 21 VAL N . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . . . . 21 . N . . rr_2n28 1
58 . . 1 1 21 21 VAL N N . . 1 1 21 21 VAL CA C . . 1 1 21 21 VAL C C . . 1 1 22 22 TRP N N . -45.30 -25.30 . . . A . 21 VAL N . . A . 21 VAL CA . . A . 21 VAL C . . A . 22 TRP N . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . . . . 22 . N . . rr_2n28 1
59 . . 1 1 22 22 TRP N N . . 1 1 22 22 TRP CA C . . 1 1 22 22 TRP C C . . 1 1 23 23 SER N N . -20.08 -0.08 . . . A . 22 TRP N . . A . 22 TRP CA . . A . 22 TRP C . . A . 23 SER N . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . . . . 23 . N . . rr_2n28 1
60 . . 1 1 23 23 SER N N . . 1 1 23 23 SER CA C . . 1 1 23 23 SER C C . . 1 1 24 24 ILE N N . -43.90 -3.90 . . . A . 23 SER N . . A . 23 SER CA . . A . 23 SER C . . A . 24 ILE N . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . . . . 24 . N . . rr_2n28 1
61 . . 1 1 24 24 ILE N N . . 1 1 24 24 ILE CA C . . 1 1 24 24 ILE C C . . 1 1 25 25 VAL N N . -60.69 -20.69 . . . A . 24 ILE N . . A . 24 ILE CA . . A . 24 ILE C . . A . 25 VAL N . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . . . . 25 . N . . rr_2n28 1
62 . . 1 1 25 25 VAL N N . . 1 1 25 25 VAL CA C . . 1 1 25 25 VAL C C . . 1 1 26 26 ILE N N . -63.12 -23.12 . . . A . 25 VAL N . . A . 25 VAL CA . . A . 25 VAL C . . A . 26 ILE N . . . 25 . N . . . . . 25 . CA . . . . . 25 . C . . . . . 26 . N . . rr_2n28 1
63 . . 1 1 26 26 ILE N N . . 1 1 26 26 ILE CA C . . 1 1 26 26 ILE C C . . 1 1 27 27 ILE N N . -60.06 -20.06 . . . A . 26 ILE N . . A . 26 ILE CA . . A . 26 ILE C . . A . 27 ILE N . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . . . . 27 . N . . rr_2n28 1
64 . . 1 1 27 27 ILE N N . . 1 1 27 27 ILE CA C . . 1 1 27 27 ILE C C . . 1 1 28 28 GLU N N . -63.25 -23.25 . . . A . 27 ILE N . . A . 27 ILE CA . . A . 27 ILE C . . A . 28 GLU N . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . . . . 28 . N . . rr_2n28 1
65 . . 1 1 35 35 GLN N N . . 1 1 35 35 GLN CA C . . 1 1 35 35 GLN C C . . 1 1 36 36 ARG N N . -58.50 -38.50 . . . A . 35 GLN N . . A . 35 GLN CA . . A . 35 GLN C . . A . 36 ARG N . . . 35 . N . . . . . 35 . CA . . . . . 35 . C . . . . . 36 . N . . rr_2n28 1
66 . . 1 1 36 36 ARG N N . . 1 1 36 36 ARG CA C . . 1 1 36 36 ARG C C . . 1 1 37 37 LYS N N . -51.84 -31.84 . . . A . 36 ARG N . . A . 36 ARG CA . . A . 36 ARG C . . A . 37 LYS N . . . 36 . N . . . . . 36 . CA . . . . . 36 . C . . . . . 37 . N . . rr_2n28 1
67 . . 1 1 37 37 LYS N N . . 1 1 37 37 LYS CA C . . 1 1 37 37 LYS C C . . 1 1 38 38 ILE N N . -46.79 -26.79 . . . A . 37 LYS N . . A . 37 LYS CA . . A . 37 LYS C . . A . 38 ILE N . . . 37 . N . . . . . 37 . CA . . . . . 37 . C . . . . . 38 . N . . rr_2n28 1
68 . . 1 1 38 38 ILE N N . . 1 1 38 38 ILE CA C . . 1 1 38 38 ILE C C . . 1 1 39 39 ASP N N . -51.88 -31.88 . . . A . 38 ILE N . . A . 38 ILE CA . . A . 38 ILE C . . A . 39 ASP N . . . 38 . N . . . . . 38 . CA . . . . . 38 . C . . . . . 39 . N . . rr_2n28 1
69 . . 1 1 39 39 ASP N N . . 1 1 39 39 ASP CA C . . 1 1 39 39 ASP C C . . 1 1 40 40 ARG N N . -36.56 -16.56 . . . A . 39 ASP N . . A . 39 ASP CA . . A . 39 ASP C . . A . 40 ARG N . . . 39 . N . . . . . 39 . CA . . . . . 39 . C . . . . . 40 . N . . rr_2n28 1
70 . . 1 1 40 40 ARG N N . . 1 1 40 40 ARG CA C . . 1 1 40 40 ARG C C . . 1 1 41 41 LEU N N . -11.22 8.78 . . . A . 40 ARG N . . A . 40 ARG CA . . A . 40 ARG C . . A . 41 LEU N . . . 40 . N . . . . . 40 . CA . . . . . 40 . C . . . . . 41 . N . . rr_2n28 1
71 . . 1 1 41 41 LEU N N . . 1 1 41 41 LEU CA C . . 1 1 41 41 LEU C C . . 1 1 42 42 ILE N N . -44.19 -24.19 . . . A . 41 LEU N . . A . 41 LEU CA . . A . 41 LEU C . . A . 42 ILE N . . . 41 . N . . . . . 41 . CA . . . . . 41 . C . . . . . 42 . N . . rr_2n28 1
72 . . 1 1 42 42 ILE N N . . 1 1 42 42 ILE CA C . . 1 1 42 42 ILE C C . . 1 1 43 43 ASP N N . -50.42 -30.42 . . . A . 42 ILE N . . A . 42 ILE CA . . A . 42 ILE C . . A . 43 ASP N . . . 42 . N . . . . . 42 . CA . . . . . 42 . C . . . . . 43 . N . . rr_2n28 1
73 . . 1 1 43 43 ASP N N . . 1 1 43 43 ASP CA C . . 1 1 43 43 ASP C C . . 1 1 44 44 ARG N N . -40.91 -20.91 . . . A . 43 ASP N . . A . 43 ASP CA . . A . 43 ASP C . . A . 44 ARG N . . . 43 . N . . . . . 43 . CA . . . . . 43 . C . . . . . 44 . N . . rr_2n28 1
74 . . 1 1 44 44 ARG N N . . 1 1 44 44 ARG CA C . . 1 1 44 44 ARG C C . . 1 1 45 45 LEU N N . -43.07 -23.07 . . . A . 44 ARG N . . A . 44 ARG CA . . A . 44 ARG C . . A . 45 LEU N . . . 44 . N . . . . . 44 . CA . . . . . 44 . C . . . . . 45 . N . . rr_2n28 1
75 . . 1 1 45 45 LEU N N . . 1 1 45 45 LEU CA C . . 1 1 45 45 LEU C C . . 1 1 46 46 ILE N N . -53.62 -33.62 . . . A . 45 LEU N . . A . 45 LEU CA . . A . 45 LEU C . . A . 46 ILE N . . . 45 . N . . . . . 45 . CA . . . . . 45 . C . . . . . 46 . N . . rr_2n28 1
76 . . 1 1 46 46 ILE N N . . 1 1 46 46 ILE CA C . . 1 1 46 46 ILE C C . . 1 1 47 47 GLU N N . -61.29 -21.29 . . . A . 46 ILE N . . A . 46 ILE CA . . A . 46 ILE C . . A . 47 GLU N . . . 46 . N . . . . . 46 . CA . . . . . 46 . C . . . . . 47 . N . . rr_2n28 1
77 . . 1 1 47 47 GLU N N . . 1 1 47 47 GLU CA C . . 1 1 47 47 GLU C C . . 1 1 48 48 ARG N N . -56.55 -16.55 . . . A . 47 GLU N . . A . 47 GLU CA . . A . 47 GLU C . . A . 48 ARG N . . . 47 . N . . . . . 47 . CA . . . . . 47 . C . . . . . 48 . N . . rr_2n28 1
78 . . 1 1 48 48 ARG N N . . 1 1 48 48 ARG CA C . . 1 1 48 48 ARG C C . . 1 1 49 49 ALA N N . -32.67 7.33 . . . A . 48 ARG N . . A . 48 ARG CA . . A . 48 ARG C . . A . 49 ALA N . . . 48 . N . . . . . 48 . CA . . . . . 48 . C . . . . . 49 . N . . rr_2n28 1
79 . . 1 1 59 59 GLU N N . . 1 1 59 59 GLU CA C . . 1 1 59 59 GLU C C . . 1 1 60 60 ILE N N . -60.49 -20.49 . . . A . 59 GLU N . . A . 59 GLU CA . . A . 59 GLU C . . A . 60 ILE N . . . 59 . N . . . . . 59 . CA . . . . . 59 . C . . . . . 60 . N . . rr_2n28 1
80 . . 1 1 60 60 ILE N N . . 1 1 60 60 ILE CA C . . 1 1 60 60 ILE C C . . 1 1 61 61 SER N N . -41.29 -21.29 . . . A . 60 ILE N . . A . 60 ILE CA . . A . 60 ILE C . . A . 61 SER N . . . 60 . N . . . . . 60 . CA . . . . . 60 . C . . . . . 61 . N . . rr_2n28 1
81 . . 1 1 61 61 SER N N . . 1 1 61 61 SER CA C . . 1 1 61 61 SER C C . . 1 1 62 62 ALA N N . -28.34 -8.34 . . . A . 61 SER N . . A . 61 SER CA . . A . 61 SER C . . A . 62 ALA N . . . 61 . N . . . . . 61 . CA . . . . . 61 . C . . . . . 62 . N . . rr_2n28 1
82 . . 1 1 62 62 ALA N N . . 1 1 62 62 ALA CA C . . 1 1 62 62 ALA C C . . 1 1 63 63 LEU N N . -35.87 -15.87 . . . A . 62 ALA N . . A . 62 ALA CA . . A . 62 ALA C . . A . 63 LEU N . . . 62 . N . . . . . 62 . CA . . . . . 62 . C . . . . . 63 . N . . rr_2n28 1
83 . . 1 1 63 63 LEU N N . . 1 1 63 63 LEU CA C . . 1 1 63 63 LEU C C . . 1 1 64 64 VAL N N . -39.81 -19.81 . . . A . 63 LEU N . . A . 63 LEU CA . . A . 63 LEU C . . A . 64 VAL N . . . 63 . N . . . . . 63 . CA . . . . . 63 . C . . . . . 64 . N . . rr_2n28 1
84 . . 1 1 64 64 VAL N N . . 1 1 64 64 VAL CA C . . 1 1 64 64 VAL C C . . 1 1 65 65 GLU N N . -54.07 -34.07 . . . A . 64 VAL N . . A . 64 VAL CA . . A . 64 VAL C . . A . 65 GLU N . . . 64 . N . . . . . 64 . CA . . . . . 64 . C . . . . . 65 . N . . rr_2n28 1
85 . . 1 1 65 65 GLU N N . . 1 1 65 65 GLU CA C . . 1 1 65 65 GLU C C . . 1 1 66 66 LEU N N . -35.10 -15.10 . . . A . 65 GLU N . . A . 65 GLU CA . . A . 65 GLU C . . A . 66 LEU N . . . 65 . N . . . . . 65 . CA . . . . . 65 . C . . . . . 66 . N . . rr_2n28 1
86 . . 1 1 66 66 LEU N N . . 1 1 66 66 LEU CA C . . 1 1 66 66 LEU C C . . 1 1 67 67 GLY N N . -43.85 -23.85 . . . A . 66 LEU N . . A . 66 LEU CA . . A . 66 LEU C . . A . 67 GLY N . . . 66 . N . . . . . 66 . CA . . . . . 66 . C . . . . . 67 . N . . rr_2n28 1
87 . . 1 1 67 67 GLY N N . . 1 1 67 67 GLY CA C . . 1 1 67 67 GLY C C . . 1 1 68 68 VAL N N . -43.38 -23.38 . . . A . 67 GLY N . . A . 67 GLY CA . . A . 67 GLY C . . A . 68 VAL N . . . 67 . N . . . . . 67 . CA . . . . . 67 . C . . . . . 68 . N . . rr_2n28 1
88 . . 1 1 68 68 VAL N N . . 1 1 68 68 VAL CA C . . 1 1 68 68 VAL C C . . 1 1 69 69 GLU N N . -56.21 -36.21 . . . A . 68 VAL N . . A . 68 VAL CA . . A . 68 VAL C . . A . 69 GLU N . . . 68 . N . . . . . 68 . CA . . . . . 68 . C . . . . . 69 . N . . rr_2n28 1
89 . . 1 1 69 69 GLU N N . . 1 1 69 69 GLU CA C . . 1 1 69 69 GLU C C . . 1 1 70 70 LEU N N . -50.14 -30.14 . . . A . 69 GLU N . . A . 69 GLU CA . . A . 69 GLU C . . A . 70 LEU N . . . 69 . N . . . . . 69 . CA . . . . . 69 . C . . . . . 70 . N . . rr_2n28 1
90 . . 1 1 70 70 LEU N N . . 1 1 70 70 LEU CA C . . 1 1 70 70 LEU C C . . 1 1 71 71 GLY N N . -51.09 -31.09 . . . A . 70 LEU N . . A . 70 LEU CA . . A . 70 LEU C . . A . 71 GLY N . . . 70 . N . . . . . 70 . CA . . . . . 70 . C . . . . . 71 . N . . rr_2n28 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 "1. V 9 Phi -64.31 +/- 29.82 (-94.13 to -34.50)" 1 1 1 49 rr_2n28 1
2 "2. A 10 Phi -64.34 +/- 9.87 (-74.22 to -54.47)" 6 1 6 49 rr_2n28 1
3 "3. L 11 Phi -61.46 +/- 12.74 (-74.20 to -48.72)" 11 1 11 50 rr_2n28 1
4 "4. V 12 Phi -64.26 +/- 12.43 (-76.70 to -51.83)" 16 1 16 50 rr_2n28 1
5 "5. V 13 Phi -63.08 +/- 12.87 (-75.94 to -50.21)" 21 1 21 50 rr_2n28 1
6 "6. A 14 Phi -60.90 +/- 13.23 (-74.13 to -47.67)" 26 1 26 50 rr_2n28 1
7 "7. I 15 Phi -64.38 +/- 9.60 (-73.99 to -54.78)" 31 1 31 49 rr_2n28 1
8 "8. I 16 Phi -61.36 +/- 13.98 (-75.34 to -47.38)" 36 1 36 50 rr_2n28 1
9 "9. I 17 Phi -64.31 +/- 10.87 (-75.18 to -53.44)" 41 1 41 50 rr_2n28 1
10 "10. A 18 Phi -67.18 +/- 30.24 (-97.42 to -36.94)" 46 1 46 51 rr_2n28 1
11 "11. I 19 Phi -68.00 +/- 21.94 (-89.95 to -46.06)" 51 1 51 51 rr_2n28 1
12 "12. V 20 Phi -61.92 +/- 11.48 (-73.41 to -50.44)" 56 1 56 51 rr_2n28 1
13 "13. V 21 Phi -70.72 +/- 24.14 (-94.86 to -46.58)" 61 1 61 51 rr_2n28 1
14 "14. W 22 Phi -91.70 +/- 37.10 (-128.80 to -54.61)" 66 1 66 52 rr_2n28 1
15 "15. S 23 Phi -66.90 +/- 35.85 (-102.75 to -31.05)" 71 1 71 52 rr_2n28 1
16 "16. I 24 Phi -62.26 +/- 9.17 (-71.43 to -53.09)" 76 1 76 50 rr_2n28 1
17 "17. V 25 Phi -67.00 +/- 16.59 (-83.59 to -50.41)" 81 1 81 51 rr_2n28 1
18 "18. I 26 Phi -61.55 +/- 9.02 (-70.57 to -52.53)" 86 1 86 50 rr_2n28 1
19 "19. I 27 Phi -65.19 +/- 41.04 (-106.24 to -24.15)" 91 1 91 52 rr_2n28 1
20 "20. Q 35 Phi -61.18 +/- 15.02 (-76.21 to -46.16)" 96 1 96 51 rr_2n28 1
21 "21. R 36 Phi -62.25 +/- 15.67 (-77.93 to -46.58)" 101 1 101 51 rr_2n28 1
22 "22. K 37 Phi -62.90 +/- 13.12 (-76.02 to -49.78)" 106 1 106 51 rr_2n28 1
23 "23. I 38 Phi -62.23 +/- 7.06 (-69.29 to -55.17)" 111 1 111 50 rr_2n28 1
24 "24. D 39 Phi -72.39 +/- 28.30 (-100.69 to -44.09)" 116 1 116 52 rr_2n28 1
25 "25. R 40 Phi -94.45 +/- 42.23 (-136.68 to -52.22)" 121 1 121 52 rr_2n28 1
26 "26. L 41 Phi -64.01 +/- 19.28 (-83.29 to -44.73)" 126 1 126 51 rr_2n28 1
27 "27. I 42 Phi -63.77 +/- 10.36 (-74.14 to -53.41)" 131 1 131 51 rr_2n28 1
28 "28. D 43 Phi -67.78 +/- 21.98 (-89.77 to -45.80)" 136 1 136 51 rr_2n28 1
29 "29. R 44 Phi -73.13 +/- 27.76 (-100.88 to -45.37)" 141 1 141 52 rr_2n28 1
30 "30. L 45 Phi -61.63 +/- 8.37 (-69.99 to -53.26)" 146 1 146 50 rr_2n28 1
31 "31. I 46 Phi -62.91 +/- 6.11 (-69.01 to -56.80)" 151 1 151 50 rr_2n28 1
32 "32. E 47 Phi -63.17 +/- 9.71 (-72.88 to -53.47)" 156 1 156 50 rr_2n28 1
33 "33. R 48 Phi -86.97 +/- 22.27 (-109.24 to -64.70)" 161 1 161 52 rr_2n28 1
34 "34. E 59 Phi -63.46 +/- 9.04 (-72.50 to -54.42)" 166 1 166 50 rr_2n28 1
35 "35. I 60 Phi -68.42 +/- 21.24 (-89.66 to -47.19)" 171 1 171 51 rr_2n28 1
36 "36. S 61 Phi -75.00 +/- 35.53 (-110.53 to -39.47)" 176 1 176 52 rr_2n28 1
37 "37. A 62 Phi -76.73 +/- 33.24 (-109.97 to -43.50)" 181 1 181 52 rr_2n28 1
38 "38. L 63 Phi -77.75 +/- 32.86 (-110.61 to -44.88)" 186 1 186 52 rr_2n28 1
39 "39. V 64 Phi -60.23 +/- 28.02 (-88.24 to -32.21)" 191 1 191 51 rr_2n28 1
40 "40. E 65 Phi -71.87 +/- 23.65 (-95.51 to -48.22)" 196 1 196 51 rr_2n28 1
41 "41. L 66 Phi -67.21 +/- 18.49 (-85.70 to -48.72)" 201 1 201 51 rr_2n28 1
42 "42. G 67 Phi -87.22 +/- 53.30 (-140.53 to -33.92)" 206 1 206 52 rr_2n28 1
43 "43. V 68 Phi -80.00 +/- 48.28 (-128.28 to -31.72)" 211 1 211 52 rr_2n28 1
44 "44. E 69 Phi -70.20 +/- 24.57 (-94.78 to -45.63)" 216 1 216 51 rr_2n28 1
45 "45. L 70 Phi -65.67 +/- 16.18 (-81.85 to -49.48)" 221 1 221 51 rr_2n28 1
46 "46. V 9 Psi -43.25 +/- 13.57 (-56.82 to -29.68)" 227 1 227 50 rr_2n28 1
47 "47. A 10 Psi -32.75 +/- 28.04 (-60.80 to -4.71)" 232 1 232 50 rr_2n28 1
48 "48. L 11 Psi -41.01 +/- 21.69 (-62.70 to -19.31)" 237 1 237 51 rr_2n28 1
49 "49. V 12 Psi -43.37 +/- 14.67 (-58.03 to -28.70)" 242 1 242 51 rr_2n28 1
50 "50. V 13 Psi -44.12 +/- 12.84 (-56.95 to -31.28)" 247 1 247 51 rr_2n28 1
51 "51. A 14 Psi -43.31 +/- 15.11 (-58.43 to -28.20)" 252 1 252 51 rr_2n28 1
52 "52. I 15 Psi -42.08 +/- 14.35 (-56.43 to -27.73)" 257 1 257 51 rr_2n28 1
53 "53. I 16 Psi -41.10 +/- 11.44 (-52.55 to -29.66)" 262 1 262 51 rr_2n28 1
54 "54. I 17 Psi -40.34 +/- 14.14 (-54.48 to -26.20)" 267 1 267 51 rr_2n28 1
55 "55. A 18 Psi -40.67 +/- 18.19 (-58.86 to -22.48)" 272 1 272 51 rr_2n28 1
56 "56. I 19 Psi -41.12 +/- 21.20 (-62.32 to -19.92)" 277 1 277 51 rr_2n28 1
57 "57. V 20 Psi -45.09 +/- 10.26 (-55.35 to -34.83)" 282 1 282 51 rr_2n28 1
58 "58. V 21 Psi -35.30 +/- 18.89 (-54.19 to -16.41)" 287 1 287 51 rr_2n28 1
59 "59. W 22 Psi -10.08 +/- 66.61 (-76.69 to 56.53)" 292 1 292 50 rr_2n28 1
60 "60. S 23 Psi -23.90 +/- 57.82 (-81.72 to 33.91)" 297 1 297 50 rr_2n28 1
61 "61. I 24 Psi -40.69 +/- 18.37 (-59.06 to -22.32)" 302 1 302 51 rr_2n28 1
62 "62. V 25 Psi -43.12 +/- 13.49 (-56.61 to -29.63)" 307 1 307 51 rr_2n28 1
63 "63. I 26 Psi -40.06 +/- 11.87 (-51.93 to -28.18)" 312 1 312 51 rr_2n28 1
64 "64. I 27 Psi -43.25 +/- 21.56 (-64.81 to -21.70)" 317 1 317 51 rr_2n28 1
65 "65. Q 35 Psi -48.50 +/- 14.92 (-63.42 to -33.58)" 322 1 322 51 rr_2n28 1
66 "66. R 36 Psi -41.84 +/- 6.06 (-47.90 to -35.79)" 327 1 327 50 rr_2n28 1
67 "67. K 37 Psi -36.79 +/- 21.12 (-57.91 to -15.67)" 332 1 332 51 rr_2n28 1
68 "68. I 38 Psi -41.88 +/- 12.27 (-54.15 to -29.61)" 337 1 337 51 rr_2n28 1
69 "69. D 39 Psi -26.56 +/- 16.10 (-42.66 to -10.46)" 342 1 342 51 rr_2n28 1
70 "70. R 40 Psi -1.22 +/- 53.81 (-55.02 to 52.59)" 347 1 347 49 rr_2n28 1
71 "71. L 41 Psi -34.19 +/- 21.70 (-55.89 to -12.50)" 352 1 352 51 rr_2n28 1
72 "72. I 42 Psi -40.42 +/- 17.01 (-57.43 to -23.42)" 357 1 357 51 rr_2n28 1
73 "73. D 43 Psi -30.91 +/- 15.23 (-46.14 to -15.68)" 362 1 362 51 rr_2n28 1
74 "74. R 44 Psi -33.07 +/- 34.16 (-67.23 to 1.09)" 367 1 367 49 rr_2n28 1
75 "75. L 45 Psi -43.62 +/- 8.31 (-51.92 to -35.31)" 372 1 372 50 rr_2n28 1
76 "76. I 46 Psi -41.29 +/- 9.82 (-51.11 to -31.47)" 377 1 377 50 rr_2n28 1
77 "77. E 47 Psi -36.55 +/- 13.76 (-50.30 to -22.79)" 382 1 382 51 rr_2n28 1
78 "78. R 48 Psi -12.67 +/- 16.37 (-29.04 to 3.70)" 387 1 387 49 rr_2n28 1
79 "79. E 59 Psi -40.49 +/- 9.34 (-49.83 to -31.16)" 392 1 392 50 rr_2n28 1
80 "80. I 60 Psi -31.29 +/- 26.57 (-57.87 to -4.72)" 397 1 397 50 rr_2n28 1
81 "81. S 61 Psi -18.34 +/- 35.48 (-53.82 to 17.14)" 402 1 402 50 rr_2n28 1
82 "82. A 62 Psi -25.87 +/- 28.44 (-54.30 to 2.57)" 407 1 407 49 rr_2n28 1
83 "83. L 63 Psi -29.81 +/- 36.37 (-66.18 to 6.56)" 412 1 412 49 rr_2n28 1
84 "84. V 64 Psi -44.07 +/- 7.28 (-51.35 to -36.79)" 417 1 417 50 rr_2n28 1
85 "85. E 65 Psi -25.10 +/- 63.25 (-88.34 to 38.15)" 422 1 422 50 rr_2n28 1
86 "86. L 66 Psi -33.85 +/- 25.49 (-59.34 to -8.35)" 427 1 427 50 rr_2n28 1
87 "87. G 67 Psi -33.38 +/- 37.39 (-70.76 to 4.01)" 432 1 432 49 rr_2n28 1
88 "88. V 68 Psi -46.21 +/- 21.56 (-67.77 to -24.65)" 437 1 437 51 rr_2n28 1
89 "89. E 69 Psi -40.14 +/- 17.92 (-58.06 to -22.21)" 442 1 442 51 rr_2n28 1
90 "90. L 70 Psi -41.09 +/- 17.17 (-58.27 to -23.92)" 447 1 447 51 rr_2n28 1
91 "Dipolar Coupling Table for Vpu NH useSign = False" 452 1 452 57 rr_2n28 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Sf_framecode CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Entry_ID rr_2n28
_RDC_constraint_list.ID 1
_RDC_constraint_list.Details "Generated by Wattos"
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
loop_
_RDC_constraint_software.Software_ID
_RDC_constraint_software.Software_label
_RDC_constraint_software.Method_ID
_RDC_constraint_software.Method_label
_RDC_constraint_software.Entry_ID
_RDC_constraint_software.RDC_constraint_list_ID
. . . . rr_2n28 1
stop_
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Atom_type_1
_RDC_constraint.Atom_isotope_number_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Atom_type_2
_RDC_constraint.Atom_isotope_number_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.RDC_val_scale_factor
_RDC_constraint.RDC_bond_length
_RDC_constraint.Source_experiment_ID
_RDC_constraint.PDB_record_ID_1
_RDC_constraint.PDB_model_num_1
_RDC_constraint.PDB_strand_ID_1
_RDC_constraint.PDB_ins_code_1
_RDC_constraint.PDB_residue_no_1
_RDC_constraint.PDB_residue_name_1
_RDC_constraint.PDB_atom_name_1
_RDC_constraint.PDB_record_ID_2
_RDC_constraint.PDB_model_num_2
_RDC_constraint.PDB_strand_ID_2
_RDC_constraint.PDB_ins_code_2
_RDC_constraint.PDB_residue_no_2
_RDC_constraint.PDB_residue_name_2
_RDC_constraint.PDB_atom_name_2
_RDC_constraint.Auth_entity_assembly_ID_1
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_chain_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_alt_ID_1
_RDC_constraint.Auth_atom_name_1
_RDC_constraint.Auth_entity_assembly_ID_2
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_chain_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Auth_alt_ID_2
_RDC_constraint.Auth_atom_name_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . 1 1 26 26 ILE N N . . . 1 1 26 26 ILE H H . . 8.362 . . . . . . . . A . 26 ILE N . . A . 26 ILE H . . . 26 . N . . . . . 26 . HN . . rr_2n28 1
2 . 1 1 27 27 ILE N N . . . 1 1 27 27 ILE H H . . 8.598 . . . . . . . . A . 27 ILE N . . A . 27 ILE H . . . 27 . N . . . . . 27 . HN . . rr_2n28 1
3 . 1 1 35 35 GLN N N . . . 1 1 35 35 GLN H H . . -7.598 . . . . . . . . A . 35 GLN N . . A . 35 GLN H . . . 35 . N . . . . . 35 . HN . . rr_2n28 1
4 . 1 1 37 37 LYS N N . . . 1 1 37 37 LYS H H . . -7.834 . . . . . . . . A . 37 LYS N . . A . 37 LYS H . . . 37 . N . . . . . 37 . HN . . rr_2n28 1
5 . 1 1 40 40 ARG N N . . . 1 1 40 40 ARG H H . . -7.774 . . . . . . . . A . 40 ARG N . . A . 40 ARG H . . . 40 . N . . . . . 40 . HN . . rr_2n28 1
6 . 1 1 41 41 LEU N N . . . 1 1 41 41 LEU H H . . -9.156 . . . . . . . . A . 41 LEU N . . A . 41 LEU H . . . 41 . N . . . . . 41 . HN . . rr_2n28 1
7 . 1 1 42 42 ILE N N . . . 1 1 42 42 ILE H H . . -8.538 . . . . . . . . A . 42 ILE N . . A . 42 ILE H . . . 42 . N . . . . . 42 . HN . . rr_2n28 1
8 . 1 1 43 43 ASP N N . . . 1 1 43 43 ASP H H . . -6.304 . . . . . . . . A . 43 ASP N . . A . 43 ASP H . . . 43 . N . . . . . 43 . HN . . rr_2n28 1
9 . 1 1 44 44 ARG N N . . . 1 1 44 44 ARG H H . . -8.068 . . . . . . . . A . 44 ARG N . . A . 44 ARG H . . . 44 . N . . . . . 44 . HN . . rr_2n28 1
10 . 1 1 45 45 LEU N N . . . 1 1 45 45 LEU H H . . -8.628 . . . . . . . . A . 45 LEU N . . A . 45 LEU H . . . 45 . N . . . . . 45 . HN . . rr_2n28 1
11 . 1 1 46 46 ILE N N . . . 1 1 46 46 ILE H H . . -8.893 -8.893 -5.893 . . . . . . A . 46 ILE N . . A . 46 ILE H . . . 46 . N . . . . . 46 . HN . . rr_2n28 1
12 . 1 1 47 47 GLU N N . . . 1 1 47 47 GLU H H . . -8.040 . . . . . . . . A . 47 GLU N . . A . 47 GLU H . . . 47 . N . . . . . 47 . HN . . rr_2n28 1
13 . 1 1 48 48 ARG N N . . . 1 1 48 48 ARG H H . . -6.716 . . . . . . . . A . 48 ARG N . . A . 48 ARG H . . . 48 . N . . . . . 48 . HN . . rr_2n28 1
14 . 1 1 49 49 ALA N N . . . 1 1 49 49 ALA H H . . -8.656 . . . . . . . . A . 49 ALA N . . A . 49 ALA H . . . 49 . N . . . . . 49 . HN . . rr_2n28 1
15 . 1 1 60 60 ILE N N . . . 1 1 60 60 ILE H H . . -7.392 . . . . . . . . A . 60 ILE N . . A . 60 ILE H . . . 60 . N . . . . . 60 . HN . . rr_2n28 1
16 . 1 1 61 61 SER N N . . . 1 1 61 61 SER H H . . -8.568 . . . . . . . . A . 61 SER N . . A . 61 SER H . . . 61 . N . . . . . 61 . HN . . rr_2n28 1
17 . 1 1 62 62 ALA N N . . . 1 1 62 62 ALA H H . . -5.864 . . . . . . . . A . 62 ALA N . . A . 62 ALA H . . . 62 . N . . . . . 62 . HN . . rr_2n28 1
18 . 1 1 64 64 VAL N N . . . 1 1 64 64 VAL H H . . -8.628 . . . . . . . . A . 64 VAL N . . A . 64 VAL H . . . 64 . N . . . . . 64 . HN . . rr_2n28 1
19 . 1 1 65 65 GLU N N . . . 1 1 65 65 GLU H H . . -5.276 . . . . . . . . A . 65 GLU N . . A . 65 GLU H . . . 65 . N . . . . . 65 . HN . . rr_2n28 1
20 . 1 1 66 66 LEU N N . . . 1 1 66 66 LEU H H . . -8.040 . . . . . . . . A . 66 LEU N . . A . 66 LEU H . . . 66 . N . . . . . 66 . HN . . rr_2n28 1
21 . 1 1 68 68 VAL N N . . . 1 1 68 68 VAL H H . . -6.452 . . . . . . . . A . 68 VAL N . . A . 68 VAL H . . . 68 . N . . . . . 68 . HN . . rr_2n28 1
22 . 1 1 69 69 GLU N N . . . 1 1 69 69 GLU H H . . -7.216 . . . . . . . . A . 69 GLU N . . A . 69 GLU H . . . 69 . N . . . . . 69 . HN . . rr_2n28 1
23 . 1 1 70 70 LEU N N . . . 1 1 70 70 LEU H H . . -9.156 . . . . . . . . A . 70 LEU N . . A . 70 LEU H . . . 70 . N . . . . . 70 . HN . . rr_2n28 1
24 . 1 1 9 9 VAL CA C . . . 1 1 9 9 VAL HA H . . -18.100 . . . . . . . . A . 9 VAL CA . . A . 9 VAL HA . . . 9 . CA . . . . . 9 . HA . . rr_2n28 1
25 . 1 1 10 10 ALA CA C . . . 1 1 10 10 ALA HA H . . -15.156 . . . . . . . . A . 10 ALA HA . . A . 10 ALA CA . . . 10 . HA . . . . . 10 . CA . . rr_2n28 1
26 . 1 1 11 11 LEU CA C . . . 1 1 11 11 LEU HA H . . 17.714 . . . . . . . . A . 11 LEU CA . . A . 11 LEU HA . . . 11 . CA . . . . . 11 . HA . . rr_2n28 1
27 . 1 1 12 12 VAL CA C . . . 1 1 12 12 VAL HA H . . 6.928 . . . . . . . . A . 12 VAL CA . . A . 12 VAL HA . . . 12 . CA . . . . . 12 . HA . . rr_2n28 1
28 . 1 1 13 13 VAL CA C . . . 1 1 13 13 VAL HA H . . -12.910 . . . . . . . . A . 13 VAL CA . . A . 13 VAL HA . . . 13 . CA . . . . . 13 . HA . . rr_2n28 1
29 . 1 1 14 14 ALA CA C . . . 1 1 14 14 ALA HA H . . -14.536 . . . . . . . . A . 14 ALA HA . . A . 14 ALA CA . . . 14 . HA . . . . . 14 . CA . . rr_2n28 1
30 . 1 1 16 16 ILE CA C . . . 1 1 16 16 ILE HA H . . -18.644 . . . . . . . . A . 16 ILE CA . . A . 16 ILE HA . . . 16 . CA . . . . . 16 . HA . . rr_2n28 1
31 . 1 1 17 17 ILE CA C . . . 1 1 17 17 ILE HA H . . -16.396 . . . . . . . . A . 17 ILE CA . . A . 17 ILE HA . . . 17 . CA . . . . . 17 . HA . . rr_2n28 1
32 . 1 1 18 18 ALA CA C . . . 1 1 18 18 ALA HA H . . 5.858 . . . . . . . . A . 18 ALA HA . . A . 18 ALA CA . . . 18 . HA . . . . . 18 . CA . . rr_2n28 1
33 . 1 1 19 19 ILE CA C . . . 1 1 19 19 ILE HA H . . 18.334 . . . . . . . . A . 19 ILE CA . . A . 19 ILE HA . . . 19 . CA . . . . . 19 . HA . . rr_2n28 1
34 . 1 1 20 20 VAL CA C . . . 1 1 20 20 VAL HA H . . -17.094 . . . . . . . . A . 20 VAL CA . . A . 20 VAL HA . . . 20 . CA . . . . . 20 . HA . . rr_2n28 1
35 . 1 1 21 21 VAL CA C . . . 1 1 21 21 VAL HA H . . -14.576 . . . . . . . . A . 21 VAL CA . . A . 21 VAL HA . . . 21 . CA . . . . . 21 . HA . . rr_2n28 1
36 . 1 1 22 22 TRP CA C . . . 1 1 22 22 TRP HA H . . 15.312 . . . . . . . . A . 22 TRP CA . . A . 22 TRP HA . . . 22 . CA . . . . . 22 . HA . . rr_2n28 1
37 . 1 1 23 23 SER CA C . . . 1 1 23 23 SER HA H . . -15.020 . . . . . . . . A . 23 SER HA . . A . 23 SER CA . . . 23 . HA . . . . . 23 . CA . . rr_2n28 1
38 . 1 1 24 24 ILE CA C . . . 1 1 24 24 ILE HA H . . -14.924 . . . . . . . . A . 24 ILE CA . . A . 24 ILE HA . . . 24 . CA . . . . . 24 . HA . . rr_2n28 1
39 . 1 1 25 25 VAL CA C . . . 1 1 25 25 VAL HA H . . 16.862 . . . . . . . . A . 25 VAL CA . . A . 25 VAL HA . . . 25 . CA . . . . . 25 . HA . . rr_2n28 1
40 . 1 1 36 36 ARG CA C . . . 1 1 36 36 ARG HA H . . 15.312 . . . . . . . . A . 36 ARG CA . . A . 36 ARG HA . . . 36 . CA . . . . . 36 . HA . . rr_2n28 1
41 . 1 1 38 38 ILE CA C . . . 1 1 38 38 ILE HA H . . -19.574 . . . . . . . . A . 38 ILE CA . . A . 38 ILE HA . . . 38 . CA . . . . . 38 . HA . . rr_2n28 1
42 . 1 1 41 41 LEU CA C . . . 1 1 41 41 LEU HA H . . -2.448 . . . . . . . . A . 41 LEU CA . . A . 41 LEU HA . . . 41 . CA . . . . . 41 . HA . . rr_2n28 1
43 . 1 1 43 43 ASP CA C . . . 1 1 43 43 ASP HA H . . -13.528 . . . . . . . . A . 43 ASP CA . . A . 43 ASP HA . . . 43 . CA . . . . . 43 . HA . . rr_2n28 1
44 . 1 1 44 44 ARG CA C . . . 1 1 44 44 ARG HA H . . 18.566 . . . . . . . . A . 44 ARG CA . . A . 44 ARG HA . . . 44 . CA . . . . . 44 . HA . . rr_2n28 1
45 . 1 1 45 45 LEU CA C . . . 1 1 45 45 LEU HA H . . -16.552 . . . . . . . . A . 45 LEU CA . . A . 45 LEU HA . . . 45 . CA . . . . . 45 . HA . . rr_2n28 1
46 . 1 1 46 46 ILE CA C . . . 1 1 46 46 ILE HA H . . 15.388 . . . . . . . . A . 46 ILE CA . . A . 46 ILE HA . . . 46 . CA . . . . . 46 . HA . . rr_2n28 1
47 . 1 1 47 47 GLU CA C . . . 1 1 47 47 GLU HA H . . -7.252 . . . . . . . . A . 47 GLU CA . . A . 47 GLU HA . . . 47 . CA . . . . . 47 . HA . . rr_2n28 1
48 . 1 1 48 48 ARG CA C . . . 1 1 48 48 ARG HA H . . 9.190 . . . . . . . . A . 48 ARG CA . . A . 48 ARG HA . . . 48 . CA . . . . . 48 . HA . . rr_2n28 1
49 . 1 1 49 49 ALA CA C . . . 1 1 49 49 ALA HA H . . 4.076 . . . . . . . . A . 49 ALA HA . . A . 49 ALA CA . . . 49 . HA . . . . . 49 . CA . . rr_2n28 1
50 . 1 1 60 60 ILE CA C . . . 1 1 60 60 ILE HA H . . -16.164 . . . . . . . . A . 60 ILE CA . . A . 60 ILE HA . . . 60 . CA . . . . . 60 . HA . . rr_2n28 1
51 . 1 1 61 61 SER CA C . . . 1 1 61 61 SER HA H . . 15.776 . . . . . . . . A . 61 SER HA . . A . 61 SER CA . . . 61 . HA . . . . . 61 . CA . . rr_2n28 1
52 . 1 1 62 62 ALA CA C . . . 1 1 62 62 ALA HA H . . 3.378 . . . . . . . . A . 62 ALA CA . . A . 62 ALA HA . . . 62 . CA . . . . . 62 . HA . . rr_2n28 1
53 . 1 1 63 63 LEU CA C . . . 1 1 63 63 LEU HA H . . 16.008 . . . . . . . . A . 63 LEU CA . . A . 63 LEU HA . . . 63 . CA . . . . . 63 . HA . . rr_2n28 1
54 . 1 1 64 64 VAL CA C . . . 1 1 64 64 VAL HA H . . 17.790 . . . . . . . . A . 64 VAL CA . . A . 64 VAL HA . . . 64 . CA . . . . . 64 . HA . . rr_2n28 1
55 . 1 1 66 66 LEU CA C . . . 1 1 66 66 LEU HA H . . 13.916 . . . . . . . . A . 66 LEU CA . . A . 66 LEU HA . . . 66 . CA . . . . . 66 . HA . . rr_2n28 1
56 . 1 1 69 69 GLU CA C . . . 1 1 69 69 GLU HA H . . -18.178 . . . . . . . . A . 69 GLU CA . . A . 69 GLU HA . . . 69 . CA . . . . . 69 . HA . . rr_2n28 1
57 . 1 1 70 70 LEU CA C . . . 1 1 70 70 LEU HA H . . 13.374 . . . . . . . . A . 70 LEU CA . . A . 70 LEU HA . . . 70 . CA . . . . . 70 . HA . . rr_2n28 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "Dipolar Coupling Table for Vpu CH useSign = True" 162 1 162 56 rr_2n28 1
2
;assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 40 and name CA )
( resid 40 and name HA ) -14.846 3.00
;
290 1 295 54 rr_2n28 1
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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_2n28
_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 VIRAL PROTEIN 01-MAY-15 2N28 *TITLE SOLID-STATE NMR STRUCTURE OF VPU *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PROTEIN VPU; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: U ORF PROTEIN, VIRAL PROTEIN U; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; *SOURCE 3 ORGANISM_COMMON: HIV-1; *SOURCE 4 ORGANISM_TAXID: 11676; *SOURCE 5 GENE: VPU; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: C41; *SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET31B+ *KEYWDS ALPHA HELIX, VIRAL PROTEIN *EXPDTA SOLID-STATE NMR *NUMMDL 1 *AUTHOR H.ZHANG, E.C.LIN, Y.TIAN, B.B.DAS, S.J.OPELLA *REVDAT 1 30-SEP-15 2N28 0 ATOM 1323 PA1 ANI B5000 -90.464-239.829 13.352 1.00 0.00 ATOM 1324 PA2 ANI B5000 -90.969-238.874 14.265 1.00 0.00 ATOM 1325 OO ANI B5000 -90.522-238.830 13.372 1.00 0.00 ATOM 1326 OO2 ANI B5000 -90.522-238.830 13.372 1.00 0.00 ATOM 1327 X ANI B5000 -91.392-239.044 12.926 1.00 0.00 ATOM 1328 Y ANI B5000 -90.311-239.805 13.429 1.00 0.00 ATOM 1329 Z ANI B5000 -90.969-238.874 14.265 1.00 0.00"
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