NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641973 |
6qyt   |
34371 | cing | 4-filtered-FRED | STAR | entry | full | 23 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6qyt
# This FRED archive file contains, for PDB entry <6qyt>:
#
# - 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_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_6qyt
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6qyt
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 573.68
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $DAL_LEU_SER_LEU_CYS_ALA A . 1 1
stop_
save_
save_DAL_LEU_SER_LEU_CYS_ALA
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "DAL LEU SER LEU CYS ALA"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XLSLCA
_Entity.Number_of_monomers 6
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 DAL $DAL 1 1
2 LEU . 1 1
3 SER . 1 1
4 LEU . 1 1
5 CYS . 1 1
6 ALA . 1 1
stop_
loop_
_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
DAL 1 1 1 1
LEU 2 2 1 1
SER 3 3 1 1
LEU 4 4 1 1
CYS 5 5 1 1
ALA 6 6 1 1
stop_
save_
save_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DAL
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 DAL HA . 1 . HA 1 1
1 1 2 1 1 4 LEU QB . 4 . HB# 1 1
2 1 1 1 1 1 DAL HB1 . 1 . HB1 1 1
2 1 2 1 1 2 LEU H . 2 . HN 1 1
3 1 1 1 1 1 DAL HB1 . 1 . HB1 1 1
3 1 2 1 1 4 LEU H . 4 . HN 1 1
4 1 1 1 1 2 LEU H . 2 . HN 1 1
4 1 2 1 1 3 SER H . 3 . HN 1 1
5 1 1 1 1 2 LEU H . 2 . HN 1 1
5 1 2 1 1 5 CYS H . 5 . HN 1 1
6 1 1 1 1 2 LEU HA . 2 . HA 1 1
6 1 2 1 1 3 SER H . 3 . HN 1 1
7 1 1 1 1 2 LEU HB2 . 2 . HB2 1 1
7 1 2 1 1 3 SER H . 3 . HN 1 1
8 1 1 1 1 2 LEU HB3 . 2 . HB1 1 1
8 1 2 1 1 3 SER H . 3 . HN 1 1
9 1 1 1 1 2 LEU HB3 . 2 . HB1 1 1
9 1 2 1 1 3 SER HA . 3 . HA 1 1
10 1 1 1 1 2 LEU MD1 . 2 . HD1# 1 1
10 1 2 1 1 3 SER H . 3 . HN 1 1
11 1 1 1 1 3 SER H . 3 . HN 1 1
11 1 2 1 1 4 LEU H . 4 . HN 1 1
12 1 1 1 1 3 SER H . 3 . HN 1 1
12 1 2 1 1 5 CYS H . 5 . HN 1 1
13 1 1 1 1 3 SER HA . 3 . HA 1 1
13 1 2 1 1 4 LEU H . 4 . HN 1 1
14 1 1 1 1 3 SER HA . 3 . HA 1 1
14 1 2 1 1 6 ALA MB . 6 . HB# 1 1
15 1 1 1 1 3 SER HB2 . 3 . HB2 1 1
15 1 2 1 1 4 LEU H . 4 . HN 1 1
16 1 1 1 1 4 LEU H . 4 . HN 1 1
16 1 2 1 1 5 CYS H . 5 . HN 1 1
17 1 1 1 1 4 LEU HA . 4 . HA 1 1
17 1 2 1 1 5 CYS H . 5 . HN 1 1
18 1 1 1 1 4 LEU QB . 4 . HB# 1 1
18 1 2 1 1 5 CYS H . 5 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 4.4 3.5 5.3 1 1
2 1 . . . . . 3.2 2.6 3.8 1 1
3 1 . . . . . 4.2 3.4 5.0 1 1
4 1 . . . . . 3.6 2.9 4.3 1 1
5 1 . . . . . 4.4 3.5 5.3 1 1
6 1 . . . . . 3.7 3.0 4.4 1 1
7 1 . . . . . 3.2 2.6 3.6 1 1
8 1 . . . . . 3.0 2.4 3.5 1 1
9 1 . . . . . 4.4 3.5 5.3 1 1
10 1 . . . . . 4.3 3.4 5.2 1 1
11 1 . . . . . 3.0 2.4 3.6 1 1
12 1 . . . . . 3.3 2.6 4.0 1 1
13 1 . . . . . 3.5 2.9 4.2 1 1
14 1 . . . . . 4.2 3.4 5.0 1 1
15 1 . . . . . 3.7 3.0 4.4 1 1
16 1 . . . . . 3.0 2.4 3.6 1 1
17 1 . . . . . 3.1 2.5 3.7 1 1
18 1 . . . . . 3.9 3.1 4.7 1 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_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_asym_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_asym_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_asym_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.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 DAL C 1 1 2 LEU N 1 1 2 LEU CA 1 1 2 LEU C -142.2 -22.2 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1
2 . 1 1 2 LEU C 1 1 3 SER N 1 1 3 SER CA 1 1 3 SER C -142.2 -22.2 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
3 . 1 1 3 SER C 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C -150.8 -30.800001 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
4 . 1 1 4 LEU C 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C -118.19999 1.7999998 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
5 . 1 1 5 CYS C 1 1 6 ALA N 1 1 6 ALA CA 1 1 6 ALA C -146.3 -26.3 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.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.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_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.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 DAL C C 4.445 5.058 3.429 1.00 . A A . 1 DAL C 1 1
1 2 1 1 1 DAL CA C 4.440 5.700 2.046 1.00 . A A . 1 DAL CA 1 1
1 3 1 1 1 DAL CB C 3.583 6.967 2.066 1.00 . A A . 1 DAL CB 1 1
1 4 1 1 1 DAL H2 H 6.502 5.614 2.327 1.00 . A A . 1 DAL H2 1 1
1 5 1 1 1 DAL H3 H 5.954 7.078 1.664 1.00 . A A . 1 DAL H3 1 1
1 6 1 1 1 DAL HA H 4.030 5.002 1.330 1.00 . A A . 1 DAL HA 1 1
1 7 1 1 1 DAL HB1 H 2.843 6.884 2.846 1.00 . A A . 1 DAL HB1 1 1
1 8 1 1 1 DAL HB2 H 3.089 7.083 1.113 1.00 . A A . 1 DAL HB2 1 1
1 9 1 1 1 DAL N N 5.835 6.046 1.655 1.00 . A A . 1 DAL N 1 1
1 10 1 1 1 DAL O O 5.421 5.170 4.171 1.00 . A A . 1 DAL O 1 1
1 11 1 1 2 LEU C C 4.621 3.273 5.531 1.00 . A A . 2 LEU C 1 1
1 12 1 1 2 LEU CA C 3.244 3.731 5.066 1.00 . A A . 2 LEU CA 1 1
1 13 1 1 2 LEU CB C 2.308 2.524 4.970 1.00 . A A . 2 LEU CB 1 1
1 14 1 1 2 LEU CD1 C 0.368 4.090 4.746 1.00 . A A . 2 LEU CD1 1 1
1 15 1 1 2 LEU CD2 C -0.017 1.701 5.378 1.00 . A A . 2 LEU CD2 1 1
1 16 1 1 2 LEU CG C 0.931 2.896 5.523 1.00 . A A . 2 LEU CG 1 1
1 17 1 1 2 LEU H H 2.603 4.328 3.137 1.00 . A A . 2 LEU H 1 1
1 18 1 1 2 LEU HA H 2.843 4.430 5.784 1.00 . A A . 2 LEU HA 1 1
1 19 1 1 2 LEU HB2 H 2.212 2.226 3.936 1.00 . A A . 2 LEU HB2 1 1
1 20 1 1 2 LEU HB3 H 2.715 1.706 5.544 1.00 . A A . 2 LEU HB3 1 1
1 21 1 1 2 LEU HD11 H 0.074 4.864 5.438 1.00 . A A . 2 LEU HD11 1 1
1 22 1 1 2 LEU HD12 H -0.490 3.774 4.172 1.00 . A A . 2 LEU HD12 1 1
1 23 1 1 2 LEU HD13 H 1.125 4.473 4.077 1.00 . A A . 2 LEU HD13 1 1
1 24 1 1 2 LEU HD21 H -0.914 2.011 4.862 1.00 . A A . 2 LEU HD21 1 1
1 25 1 1 2 LEU HD22 H -0.278 1.328 6.358 1.00 . A A . 2 LEU HD22 1 1
1 26 1 1 2 LEU HD23 H 0.471 0.919 4.815 1.00 . A A . 2 LEU HD23 1 1
1 27 1 1 2 LEU HG H 1.023 3.160 6.567 1.00 . A A . 2 LEU HG 1 1
1 28 1 1 2 LEU N N 3.350 4.386 3.769 1.00 . A A . 2 LEU N 1 1
1 29 1 1 2 LEU O O 4.907 3.239 6.728 1.00 . A A . 2 LEU O 1 1
1 30 1 1 3 SER C C 7.812 3.615 4.826 1.00 . A A . 3 SER C 1 1
1 31 1 1 3 SER CA C 6.814 2.461 4.879 1.00 . A A . 3 SER CA 1 1
1 32 1 1 3 SER CB C 7.234 1.378 3.885 1.00 . A A . 3 SER CB 1 1
1 33 1 1 3 SER H H 5.174 2.966 3.636 1.00 . A A . 3 SER H 1 1
1 34 1 1 3 SER HA H 6.821 2.039 5.873 1.00 . A A . 3 SER HA 1 1
1 35 1 1 3 SER HB2 H 8.305 1.264 3.905 1.00 . A A . 3 SER HB2 1 1
1 36 1 1 3 SER HB3 H 6.770 0.440 4.158 1.00 . A A . 3 SER HB3 1 1
1 37 1 1 3 SER HG H 7.589 1.680 1.996 1.00 . A A . 3 SER HG 1 1
1 38 1 1 3 SER N N 5.466 2.919 4.571 1.00 . A A . 3 SER N 1 1
1 39 1 1 3 SER O O 8.612 3.795 5.745 1.00 . A A . 3 SER O 1 1
1 40 1 1 3 SER OG O 6.829 1.759 2.577 1.00 . A A . 3 SER OG 1 1
1 41 1 1 4 LEU C C 8.120 6.789 4.215 1.00 . A A . 4 LEU C 1 1
1 42 1 1 4 LEU CA C 8.690 5.515 3.591 1.00 . A A . 4 LEU CA 1 1
1 43 1 1 4 LEU CB C 8.985 5.754 2.108 1.00 . A A . 4 LEU CB 1 1
1 44 1 1 4 LEU CD1 C 11.262 4.735 2.005 1.00 . A A . 4 LEU CD1 1 1
1 45 1 1 4 LEU CD2 C 10.705 6.695 0.561 1.00 . A A . 4 LEU CD2 1 1
1 46 1 1 4 LEU CG C 10.475 6.044 1.927 1.00 . A A . 4 LEU CG 1 1
1 47 1 1 4 LEU H H 7.119 4.200 3.036 1.00 . A A . 4 LEU H 1 1
1 48 1 1 4 LEU HA H 9.616 5.272 4.090 1.00 . A A . 4 LEU HA 1 1
1 49 1 1 4 LEU HB2 H 8.719 4.874 1.540 1.00 . A A . 4 LEU HB2 1 1
1 50 1 1 4 LEU HB3 H 8.412 6.597 1.756 1.00 . A A . 4 LEU HB3 1 1
1 51 1 1 4 LEU HD11 H 12.230 4.867 1.543 1.00 . A A . 4 LEU HD11 1 1
1 52 1 1 4 LEU HD12 H 10.720 3.958 1.487 1.00 . A A . 4 LEU HD12 1 1
1 53 1 1 4 LEU HD13 H 11.393 4.454 3.039 1.00 . A A . 4 LEU HD13 1 1
1 54 1 1 4 LEU HD21 H 10.677 5.938 -0.209 1.00 . A A . 4 LEU HD21 1 1
1 55 1 1 4 LEU HD22 H 11.669 7.183 0.551 1.00 . A A . 4 LEU HD22 1 1
1 56 1 1 4 LEU HD23 H 9.931 7.425 0.376 1.00 . A A . 4 LEU HD23 1 1
1 57 1 1 4 LEU HG H 10.810 6.712 2.708 1.00 . A A . 4 LEU HG 1 1
1 58 1 1 4 LEU N N 7.770 4.391 3.744 1.00 . A A . 4 LEU N 1 1
1 59 1 1 4 LEU O O 8.852 7.568 4.824 1.00 . A A . 4 LEU O 1 1
1 60 1 1 5 CYS C C 6.261 8.182 6.141 1.00 . A A . 5 CYS C 1 1
1 61 1 1 5 CYS CA C 6.179 8.191 4.618 1.00 . A A . 5 CYS CA 1 1
1 62 1 1 5 CYS CB C 4.715 8.251 4.181 1.00 . A A . 5 CYS CB 1 1
1 63 1 1 5 CYS H H 6.272 6.354 3.568 1.00 . A A . 5 CYS H 1 1
1 64 1 1 5 CYS HA H 6.690 9.067 4.246 1.00 . A A . 5 CYS HA 1 1
1 65 1 1 5 CYS HB2 H 4.211 7.347 4.489 1.00 . A A . 5 CYS HB2 1 1
1 66 1 1 5 CYS HB3 H 4.237 9.104 4.641 1.00 . A A . 5 CYS HB3 1 1
1 67 1 1 5 CYS N N 6.815 7.002 4.062 1.00 . A A . 5 CYS N 1 1
1 68 1 1 5 CYS O O 5.613 8.986 6.811 1.00 . A A . 5 CYS O 1 1
1 69 1 1 5 CYS SG S 4.632 8.410 2.379 1.00 . A A . 5 CYS SG 1 1
1 70 1 1 6 ALA C C 7.813 8.456 8.691 1.00 . A A . 6 ALA C 1 1
1 71 1 1 6 ALA CA C 7.219 7.169 8.127 1.00 . A A . 6 ALA CA 1 1
1 72 1 1 6 ALA CB C 8.131 5.990 8.472 1.00 . A A . 6 ALA CB 1 1
1 73 1 1 6 ALA H H 7.556 6.656 6.098 1.00 . A A . 6 ALA H 1 1
1 74 1 1 6 ALA HA H 6.251 7.003 8.575 1.00 . A A . 6 ALA HA 1 1
1 75 1 1 6 ALA HB1 H 8.599 6.165 9.430 1.00 . A A . 6 ALA HB1 1 1
1 76 1 1 6 ALA HB2 H 8.893 5.889 7.713 1.00 . A A . 6 ALA HB2 1 1
1 77 1 1 6 ALA HB3 H 7.546 5.084 8.518 1.00 . A A . 6 ALA HB3 1 1
1 78 1 1 6 ALA N N 7.062 7.269 6.681 1.00 . A A . 6 ALA N 1 1
1 79 1 1 6 ALA O O 7.886 9.424 7.951 1.00 . A A . 6 ALA O 1 1
1 80 1 1 6 ALA OXT O 8.188 8.454 9.852 1.00 . A A . 6 ALA OXT 1 1
2 81 1 1 1 DAL C C 4.470 4.990 3.295 1.00 . A A . 1 DAL C 1 1
2 82 1 1 1 DAL CA C 4.437 5.589 1.896 1.00 . A A . 1 DAL CA 1 1
2 83 1 1 1 DAL CB C 4.444 7.115 1.980 1.00 . A A . 1 DAL CB 1 1
2 84 1 1 1 DAL H2 H 6.279 4.626 1.775 1.00 . A A . 1 DAL H2 1 1
2 85 1 1 1 DAL H3 H 6.122 5.954 0.729 1.00 . A A . 1 DAL H3 1 1
2 86 1 1 1 DAL HA H 3.543 5.260 1.388 1.00 . A A . 1 DAL HA 1 1
2 87 1 1 1 DAL HB1 H 3.785 7.513 1.223 1.00 . A A . 1 DAL HB1 1 1
2 88 1 1 1 DAL HB2 H 5.445 7.478 1.812 1.00 . A A . 1 DAL HB2 1 1
2 89 1 1 1 DAL N N 5.634 5.132 1.135 1.00 . A A . 1 DAL N 1 1
2 90 1 1 1 DAL O O 5.482 5.074 3.990 1.00 . A A . 1 DAL O 1 1
2 91 1 1 2 LEU C C 4.638 3.398 5.533 1.00 . A A . 2 LEU C 1 1
2 92 1 1 2 LEU CA C 3.254 3.782 5.021 1.00 . A A . 2 LEU CA 1 1
2 93 1 1 2 LEU CB C 2.365 2.536 4.954 1.00 . A A . 2 LEU CB 1 1
2 94 1 1 2 LEU CD1 C 1.761 2.845 7.358 1.00 . A A . 2 LEU CD1 1 1
2 95 1 1 2 LEU CD2 C 0.365 3.903 5.573 1.00 . A A . 2 LEU CD2 1 1
2 96 1 1 2 LEU CG C 1.206 2.677 5.942 1.00 . A A . 2 LEU CG 1 1
2 97 1 1 2 LEU H H 2.580 4.367 3.097 1.00 . A A . 2 LEU H 1 1
2 98 1 1 2 LEU HA H 2.812 4.493 5.703 1.00 . A A . 2 LEU HA 1 1
2 99 1 1 2 LEU HB2 H 1.975 2.428 3.952 1.00 . A A . 2 LEU HB2 1 1
2 100 1 1 2 LEU HB3 H 2.948 1.663 5.208 1.00 . A A . 2 LEU HB3 1 1
2 101 1 1 2 LEU HD11 H 1.159 2.276 8.050 1.00 . A A . 2 LEU HD11 1 1
2 102 1 1 2 LEU HD12 H 1.736 3.889 7.633 1.00 . A A . 2 LEU HD12 1 1
2 103 1 1 2 LEU HD13 H 2.780 2.489 7.389 1.00 . A A . 2 LEU HD13 1 1
2 104 1 1 2 LEU HD21 H 0.775 4.371 4.689 1.00 . A A . 2 LEU HD21 1 1
2 105 1 1 2 LEU HD22 H 0.375 4.609 6.390 1.00 . A A . 2 LEU HD22 1 1
2 106 1 1 2 LEU HD23 H -0.652 3.596 5.376 1.00 . A A . 2 LEU HD23 1 1
2 107 1 1 2 LEU HG H 0.590 1.790 5.901 1.00 . A A . 2 LEU HG 1 1
2 108 1 1 2 LEU N N 3.353 4.393 3.699 1.00 . A A . 2 LEU N 1 1
2 109 1 1 2 LEU O O 4.938 3.546 6.718 1.00 . A A . 2 LEU O 1 1
2 110 1 1 3 SER C C 7.805 3.681 4.831 1.00 . A A . 3 SER C 1 1
2 111 1 1 3 SER CA C 6.834 2.511 4.987 1.00 . A A . 3 SER CA 1 1
2 112 1 1 3 SER CB C 7.286 1.348 4.105 1.00 . A A . 3 SER CB 1 1
2 113 1 1 3 SER H H 5.181 2.817 3.696 1.00 . A A . 3 SER H 1 1
2 114 1 1 3 SER HA H 6.839 2.188 6.017 1.00 . A A . 3 SER HA 1 1
2 115 1 1 3 SER HB2 H 6.968 0.417 4.542 1.00 . A A . 3 SER HB2 1 1
2 116 1 1 3 SER HB3 H 6.846 1.451 3.121 1.00 . A A . 3 SER HB3 1 1
2 117 1 1 3 SER HG H 8.996 0.460 3.835 1.00 . A A . 3 SER HG 1 1
2 118 1 1 3 SER N N 5.479 2.910 4.626 1.00 . A A . 3 SER N 1 1
2 119 1 1 3 SER O O 8.629 3.934 5.710 1.00 . A A . 3 SER O 1 1
2 120 1 1 3 SER OG O 8.704 1.359 4.006 1.00 . A A . 3 SER OG 1 1
2 121 1 1 4 LEU C C 8.112 6.765 4.207 1.00 . A A . 4 LEU C 1 1
2 122 1 1 4 LEU CA C 8.590 5.527 3.453 1.00 . A A . 4 LEU CA 1 1
2 123 1 1 4 LEU CB C 8.641 5.821 1.952 1.00 . A A . 4 LEU CB 1 1
2 124 1 1 4 LEU CD1 C 8.726 4.780 -0.319 1.00 . A A . 4 LEU CD1 1 1
2 125 1 1 4 LEU CD2 C 10.213 3.934 1.503 1.00 . A A . 4 LEU CD2 1 1
2 126 1 1 4 LEU CG C 8.832 4.513 1.184 1.00 . A A . 4 LEU CG 1 1
2 127 1 1 4 LEU H H 7.037 4.146 3.037 1.00 . A A . 4 LEU H 1 1
2 128 1 1 4 LEU HA H 9.584 5.276 3.790 1.00 . A A . 4 LEU HA 1 1
2 129 1 1 4 LEU HB2 H 7.717 6.290 1.645 1.00 . A A . 4 LEU HB2 1 1
2 130 1 1 4 LEU HB3 H 9.467 6.484 1.742 1.00 . A A . 4 LEU HB3 1 1
2 131 1 1 4 LEU HD11 H 7.835 4.307 -0.707 1.00 . A A . 4 LEU HD11 1 1
2 132 1 1 4 LEU HD12 H 9.594 4.377 -0.819 1.00 . A A . 4 LEU HD12 1 1
2 133 1 1 4 LEU HD13 H 8.672 5.845 -0.494 1.00 . A A . 4 LEU HD13 1 1
2 134 1 1 4 LEU HD21 H 10.159 3.352 2.411 1.00 . A A . 4 LEU HD21 1 1
2 135 1 1 4 LEU HD22 H 10.919 4.741 1.634 1.00 . A A . 4 LEU HD22 1 1
2 136 1 1 4 LEU HD23 H 10.536 3.303 0.689 1.00 . A A . 4 LEU HD23 1 1
2 137 1 1 4 LEU HG H 8.068 3.808 1.479 1.00 . A A . 4 LEU HG 1 1
2 138 1 1 4 LEU N N 7.708 4.391 3.707 1.00 . A A . 4 LEU N 1 1
2 139 1 1 4 LEU O O 8.911 7.467 4.830 1.00 . A A . 4 LEU O 1 1
2 140 1 1 5 CYS C C 5.661 7.773 6.186 1.00 . A A . 5 CYS C 1 1
2 141 1 1 5 CYS CA C 6.252 8.188 4.842 1.00 . A A . 5 CYS CA 1 1
2 142 1 1 5 CYS CB C 5.167 8.847 3.984 1.00 . A A . 5 CYS CB 1 1
2 143 1 1 5 CYS H H 6.217 6.438 3.646 1.00 . A A . 5 CYS H 1 1
2 144 1 1 5 CYS HA H 7.041 8.905 5.015 1.00 . A A . 5 CYS HA 1 1
2 145 1 1 5 CYS HB2 H 4.742 9.679 4.526 1.00 . A A . 5 CYS HB2 1 1
2 146 1 1 5 CYS HB3 H 5.602 9.206 3.065 1.00 . A A . 5 CYS HB3 1 1
2 147 1 1 5 CYS N N 6.810 7.030 4.153 1.00 . A A . 5 CYS N 1 1
2 148 1 1 5 CYS O O 4.555 8.178 6.542 1.00 . A A . 5 CYS O 1 1
2 149 1 1 5 CYS SG S 3.864 7.642 3.618 1.00 . A A . 5 CYS SG 1 1
2 150 1 1 6 ALA C C 5.463 7.662 9.080 1.00 . A A . 6 ALA C 1 1
2 151 1 1 6 ALA CA C 5.958 6.495 8.232 1.00 . A A . 6 ALA CA 1 1
2 152 1 1 6 ALA CB C 7.104 5.785 8.956 1.00 . A A . 6 ALA CB 1 1
2 153 1 1 6 ALA H H 7.284 6.674 6.590 1.00 . A A . 6 ALA H 1 1
2 154 1 1 6 ALA HA H 5.148 5.794 8.092 1.00 . A A . 6 ALA HA 1 1
2 155 1 1 6 ALA HB1 H 6.999 4.716 8.838 1.00 . A A . 6 ALA HB1 1 1
2 156 1 1 6 ALA HB2 H 7.076 6.035 10.007 1.00 . A A . 6 ALA HB2 1 1
2 157 1 1 6 ALA HB3 H 8.047 6.102 8.536 1.00 . A A . 6 ALA HB3 1 1
2 158 1 1 6 ALA N N 6.411 6.963 6.928 1.00 . A A . 6 ALA N 1 1
2 159 1 1 6 ALA O O 4.376 7.554 9.624 1.00 . A A . 6 ALA O 1 1
2 160 1 1 6 ALA OXT O 6.179 8.645 9.174 1.00 . A A . 6 ALA OXT 1 1
3 161 1 1 1 DAL C C 4.421 5.150 3.434 1.00 . A A . 1 DAL C 1 1
3 162 1 1 1 DAL CA C 4.372 5.916 2.117 1.00 . A A . 1 DAL CA 1 1
3 163 1 1 1 DAL CB C 3.406 7.094 2.243 1.00 . A A . 1 DAL CB 1 1
3 164 1 1 1 DAL H2 H 5.811 6.565 0.760 1.00 . A A . 1 DAL H2 1 1
3 165 1 1 1 DAL H3 H 6.444 5.733 2.099 1.00 . A A . 1 DAL H3 1 1
3 166 1 1 1 DAL HA H 4.036 5.257 1.331 1.00 . A A . 1 DAL HA 1 1
3 167 1 1 1 DAL HB1 H 2.714 6.902 3.049 1.00 . A A . 1 DAL HB1 1 1
3 168 1 1 1 DAL HB2 H 2.859 7.211 1.319 1.00 . A A . 1 DAL HB2 1 1
3 169 1 1 1 DAL N N 5.733 6.424 1.789 1.00 . A A . 1 DAL N 1 1
3 170 1 1 1 DAL O O 5.381 5.262 4.195 1.00 . A A . 1 DAL O 1 1
3 171 1 1 2 LEU C C 4.675 3.304 5.485 1.00 . A A . 2 LEU C 1 1
3 172 1 1 2 LEU CA C 3.288 3.593 4.919 1.00 . A A . 2 LEU CA 1 1
3 173 1 1 2 LEU CB C 2.575 2.272 4.637 1.00 . A A . 2 LEU CB 1 1
3 174 1 1 2 LEU CD1 C 0.978 0.586 5.530 1.00 . A A . 2 LEU CD1 1 1
3 175 1 1 2 LEU CD2 C 2.377 1.926 7.103 1.00 . A A . 2 LEU CD2 1 1
3 176 1 1 2 LEU CG C 1.611 1.953 5.778 1.00 . A A . 2 LEU CG 1 1
3 177 1 1 2 LEU H H 2.638 4.331 3.045 1.00 . A A . 2 LEU H 1 1
3 178 1 1 2 LEU HA H 2.719 4.146 5.649 1.00 . A A . 2 LEU HA 1 1
3 179 1 1 2 LEU HB2 H 2.025 2.351 3.711 1.00 . A A . 2 LEU HB2 1 1
3 180 1 1 2 LEU HB3 H 3.304 1.481 4.555 1.00 . A A . 2 LEU HB3 1 1
3 181 1 1 2 LEU HD11 H -0.069 0.622 5.783 1.00 . A A . 2 LEU HD11 1 1
3 182 1 1 2 LEU HD12 H 1.473 -0.156 6.141 1.00 . A A . 2 LEU HD12 1 1
3 183 1 1 2 LEU HD13 H 1.089 0.323 4.488 1.00 . A A . 2 LEU HD13 1 1
3 184 1 1 2 LEU HD21 H 1.831 1.333 7.823 1.00 . A A . 2 LEU HD21 1 1
3 185 1 1 2 LEU HD22 H 2.484 2.934 7.477 1.00 . A A . 2 LEU HD22 1 1
3 186 1 1 2 LEU HD23 H 3.353 1.494 6.947 1.00 . A A . 2 LEU HD23 1 1
3 187 1 1 2 LEU HG H 0.838 2.706 5.818 1.00 . A A . 2 LEU HG 1 1
3 188 1 1 2 LEU N N 3.373 4.376 3.692 1.00 . A A . 2 LEU N 1 1
3 189 1 1 2 LEU O O 4.946 3.569 6.657 1.00 . A A . 2 LEU O 1 1
3 190 1 1 3 SER C C 7.874 3.548 4.881 1.00 . A A . 3 SER C 1 1
3 191 1 1 3 SER CA C 6.891 2.393 5.084 1.00 . A A . 3 SER CA 1 1
3 192 1 1 3 SER CB C 7.381 1.170 4.311 1.00 . A A . 3 SER CB 1 1
3 193 1 1 3 SER H H 5.260 2.536 3.735 1.00 . A A . 3 SER H 1 1
3 194 1 1 3 SER HA H 6.864 2.145 6.134 1.00 . A A . 3 SER HA 1 1
3 195 1 1 3 SER HB2 H 6.603 0.427 4.276 1.00 . A A . 3 SER HB2 1 1
3 196 1 1 3 SER HB3 H 7.642 1.464 3.301 1.00 . A A . 3 SER HB3 1 1
3 197 1 1 3 SER HG H 9.181 0.432 4.301 1.00 . A A . 3 SER HG 1 1
3 198 1 1 3 SER N N 5.541 2.740 4.651 1.00 . A A . 3 SER N 1 1
3 199 1 1 3 SER O O 8.802 3.719 5.671 1.00 . A A . 3 SER O 1 1
3 200 1 1 3 SER OG O 8.519 0.626 4.967 1.00 . A A . 3 SER OG 1 1
3 201 1 1 4 LEU C C 8.084 6.741 4.167 1.00 . A A . 4 LEU C 1 1
3 202 1 1 4 LEU CA C 8.594 5.442 3.547 1.00 . A A . 4 LEU CA 1 1
3 203 1 1 4 LEU CB C 8.771 5.625 2.035 1.00 . A A . 4 LEU CB 1 1
3 204 1 1 4 LEU CD1 C 7.418 4.085 0.601 1.00 . A A . 4 LEU CD1 1 1
3 205 1 1 4 LEU CD2 C 9.900 4.176 0.344 1.00 . A A . 4 LEU CD2 1 1
3 206 1 1 4 LEU CG C 8.744 4.259 1.344 1.00 . A A . 4 LEU CG 1 1
3 207 1 1 4 LEU H H 6.939 4.150 3.209 1.00 . A A . 4 LEU H 1 1
3 208 1 1 4 LEU HA H 9.556 5.212 3.977 1.00 . A A . 4 LEU HA 1 1
3 209 1 1 4 LEU HB2 H 7.973 6.242 1.650 1.00 . A A . 4 LEU HB2 1 1
3 210 1 1 4 LEU HB3 H 9.719 6.104 1.842 1.00 . A A . 4 LEU HB3 1 1
3 211 1 1 4 LEU HD11 H 7.423 3.144 0.072 1.00 . A A . 4 LEU HD11 1 1
3 212 1 1 4 LEU HD12 H 7.291 4.893 -0.105 1.00 . A A . 4 LEU HD12 1 1
3 213 1 1 4 LEU HD13 H 6.603 4.095 1.311 1.00 . A A . 4 LEU HD13 1 1
3 214 1 1 4 LEU HD21 H 10.839 4.256 0.871 1.00 . A A . 4 LEU HD21 1 1
3 215 1 1 4 LEU HD22 H 9.817 4.983 -0.370 1.00 . A A . 4 LEU HD22 1 1
3 216 1 1 4 LEU HD23 H 9.859 3.230 -0.176 1.00 . A A . 4 LEU HD23 1 1
3 217 1 1 4 LEU HG H 8.848 3.479 2.082 1.00 . A A . 4 LEU HG 1 1
3 218 1 1 4 LEU N N 7.686 4.329 3.819 1.00 . A A . 4 LEU N 1 1
3 219 1 1 4 LEU O O 8.846 7.471 4.802 1.00 . A A . 4 LEU O 1 1
3 220 1 1 5 CYS C C 6.545 8.375 6.020 1.00 . A A . 5 CYS C 1 1
3 221 1 1 5 CYS CA C 6.222 8.253 4.533 1.00 . A A . 5 CYS CA 1 1
3 222 1 1 5 CYS CB C 4.705 8.255 4.331 1.00 . A A . 5 CYS CB 1 1
3 223 1 1 5 CYS H H 6.235 6.419 3.467 1.00 . A A . 5 CYS H 1 1
3 224 1 1 5 CYS HA H 6.642 9.103 4.015 1.00 . A A . 5 CYS HA 1 1
3 225 1 1 5 CYS HB2 H 4.304 7.288 4.598 1.00 . A A . 5 CYS HB2 1 1
3 226 1 1 5 CYS HB3 H 4.260 9.015 4.956 1.00 . A A . 5 CYS HB3 1 1
3 227 1 1 5 CYS N N 6.800 7.032 3.982 1.00 . A A . 5 CYS N 1 1
3 228 1 1 5 CYS O O 6.678 9.480 6.546 1.00 . A A . 5 CYS O 1 1
3 229 1 1 5 CYS SG S 4.334 8.606 2.594 1.00 . A A . 5 CYS SG 1 1
3 230 1 1 6 ALA C C 8.267 8.008 8.389 1.00 . A A . 6 ALA C 1 1
3 231 1 1 6 ALA CA C 6.988 7.224 8.114 1.00 . A A . 6 ALA CA 1 1
3 232 1 1 6 ALA CB C 7.160 5.783 8.600 1.00 . A A . 6 ALA CB 1 1
3 233 1 1 6 ALA H H 6.562 6.383 6.215 1.00 . A A . 6 ALA H 1 1
3 234 1 1 6 ALA HA H 6.172 7.680 8.656 1.00 . A A . 6 ALA HA 1 1
3 235 1 1 6 ALA HB1 H 6.188 5.346 8.780 1.00 . A A . 6 ALA HB1 1 1
3 236 1 1 6 ALA HB2 H 7.732 5.778 9.516 1.00 . A A . 6 ALA HB2 1 1
3 237 1 1 6 ALA HB3 H 7.680 5.209 7.847 1.00 . A A . 6 ALA HB3 1 1
3 238 1 1 6 ALA N N 6.675 7.234 6.688 1.00 . A A . 6 ALA N 1 1
3 239 1 1 6 ALA O O 9.298 7.379 8.563 1.00 . A A . 6 ALA O 1 1
3 240 1 1 6 ALA OXT O 8.197 9.226 8.421 1.00 . A A . 6 ALA OXT 1 1
4 241 1 1 1 DAL C C 4.439 5.122 3.421 1.00 . A A . 1 DAL C 1 1
4 242 1 1 1 DAL CA C 4.407 5.804 2.058 1.00 . A A . 1 DAL CA 1 1
4 243 1 1 1 DAL CB C 3.500 7.035 2.118 1.00 . A A . 1 DAL CB 1 1
4 244 1 1 1 DAL H2 H 6.477 5.639 2.199 1.00 . A A . 1 DAL H2 1 1
4 245 1 1 1 DAL H3 H 5.927 7.220 1.910 1.00 . A A . 1 DAL H3 1 1
4 246 1 1 1 DAL HA H 4.025 5.112 1.320 1.00 . A A . 1 DAL HA 1 1
4 247 1 1 1 DAL HB1 H 2.773 6.902 2.903 1.00 . A A . 1 DAL HB1 1 1
4 248 1 1 1 DAL HB2 H 2.992 7.154 1.172 1.00 . A A . 1 DAL HB2 1 1
4 249 1 1 1 DAL N N 5.788 6.217 1.677 1.00 . A A . 1 DAL N 1 1
4 250 1 1 1 DAL O O 5.404 5.258 4.172 1.00 . A A . 1 DAL O 1 1
4 251 1 1 2 LEU C C 4.677 3.313 5.512 1.00 . A A . 2 LEU C 1 1
4 252 1 1 2 LEU CA C 3.287 3.693 5.010 1.00 . A A . 2 LEU CA 1 1
4 253 1 1 2 LEU CB C 2.434 2.430 4.853 1.00 . A A . 2 LEU CB 1 1
4 254 1 1 2 LEU CD1 C 1.587 2.678 7.189 1.00 . A A . 2 LEU CD1 1 1
4 255 1 1 2 LEU CD2 C 0.380 3.783 5.299 1.00 . A A . 2 LEU CD2 1 1
4 256 1 1 2 LEU CG C 1.179 2.547 5.721 1.00 . A A . 2 LEU CG 1 1
4 257 1 1 2 LEU H H 2.636 4.320 3.095 1.00 . A A . 2 LEU H 1 1
4 258 1 1 2 LEU HA H 2.820 4.344 5.733 1.00 . A A . 2 LEU HA 1 1
4 259 1 1 2 LEU HB2 H 2.147 2.318 3.818 1.00 . A A . 2 LEU HB2 1 1
4 260 1 1 2 LEU HB3 H 3.005 1.568 5.163 1.00 . A A . 2 LEU HB3 1 1
4 261 1 1 2 LEU HD11 H 1.574 3.719 7.475 1.00 . A A . 2 LEU HD11 1 1
4 262 1 1 2 LEU HD12 H 2.584 2.281 7.322 1.00 . A A . 2 LEU HD12 1 1
4 263 1 1 2 LEU HD13 H 0.896 2.125 7.806 1.00 . A A . 2 LEU HD13 1 1
4 264 1 1 2 LEU HD21 H -0.557 3.473 4.860 1.00 . A A . 2 LEU HD21 1 1
4 265 1 1 2 LEU HD22 H 0.947 4.349 4.574 1.00 . A A . 2 LEU HD22 1 1
4 266 1 1 2 LEU HD23 H 0.186 4.401 6.164 1.00 . A A . 2 LEU HD23 1 1
4 267 1 1 2 LEU HG H 0.572 1.662 5.595 1.00 . A A . 2 LEU HG 1 1
4 268 1 1 2 LEU N N 3.376 4.391 3.733 1.00 . A A . 2 LEU N 1 1
4 269 1 1 2 LEU O O 4.984 3.463 6.695 1.00 . A A . 2 LEU O 1 1
4 270 1 1 3 SER C C 7.850 3.557 4.850 1.00 . A A . 3 SER C 1 1
4 271 1 1 3 SER CA C 6.861 2.398 4.969 1.00 . A A . 3 SER CA 1 1
4 272 1 1 3 SER CB C 7.314 1.252 4.063 1.00 . A A . 3 SER CB 1 1
4 273 1 1 3 SER H H 5.205 2.705 3.682 1.00 . A A . 3 SER H 1 1
4 274 1 1 3 SER HA H 6.857 2.048 5.990 1.00 . A A . 3 SER HA 1 1
4 275 1 1 3 SER HB2 H 7.359 0.338 4.630 1.00 . A A . 3 SER HB2 1 1
4 276 1 1 3 SER HB3 H 6.609 1.136 3.252 1.00 . A A . 3 SER HB3 1 1
4 277 1 1 3 SER HG H 9.059 2.105 4.181 1.00 . A A . 3 SER HG 1 1
4 278 1 1 3 SER N N 5.509 2.810 4.607 1.00 . A A . 3 SER N 1 1
4 279 1 1 3 SER O O 8.726 3.721 5.699 1.00 . A A . 3 SER O 1 1
4 280 1 1 3 SER OG O 8.606 1.546 3.547 1.00 . A A . 3 SER OG 1 1
4 281 1 1 4 LEU C C 8.084 6.749 4.238 1.00 . A A . 4 LEU C 1 1
4 282 1 1 4 LEU CA C 8.625 5.480 3.584 1.00 . A A . 4 LEU CA 1 1
4 283 1 1 4 LEU CB C 8.828 5.719 2.087 1.00 . A A . 4 LEU CB 1 1
4 284 1 1 4 LEU CD1 C 7.459 4.212 0.639 1.00 . A A . 4 LEU CD1 1 1
4 285 1 1 4 LEU CD2 C 9.931 4.351 0.312 1.00 . A A . 4 LEU CD2 1 1
4 286 1 1 4 LEU CG C 8.804 4.381 1.347 1.00 . A A . 4 LEU CG 1 1
4 287 1 1 4 LEU H H 7.008 4.177 3.139 1.00 . A A . 4 LEU H 1 1
4 288 1 1 4 LEU HA H 9.580 5.242 4.027 1.00 . A A . 4 LEU HA 1 1
4 289 1 1 4 LEU HB2 H 8.037 6.353 1.713 1.00 . A A . 4 LEU HB2 1 1
4 290 1 1 4 LEU HB3 H 9.781 6.200 1.926 1.00 . A A . 4 LEU HB3 1 1
4 291 1 1 4 LEU HD11 H 7.284 5.057 -0.011 1.00 . A A . 4 LEU HD11 1 1
4 292 1 1 4 LEU HD12 H 6.670 4.155 1.374 1.00 . A A . 4 LEU HD12 1 1
4 293 1 1 4 LEU HD13 H 7.471 3.304 0.053 1.00 . A A . 4 LEU HD13 1 1
4 294 1 1 4 LEU HD21 H 10.875 4.535 0.803 1.00 . A A . 4 LEU HD21 1 1
4 295 1 1 4 LEU HD22 H 9.758 5.114 -0.432 1.00 . A A . 4 LEU HD22 1 1
4 296 1 1 4 LEU HD23 H 9.957 3.382 -0.166 1.00 . A A . 4 LEU HD23 1 1
4 297 1 1 4 LEU HG H 8.941 3.576 2.054 1.00 . A A . 4 LEU HG 1 1
4 298 1 1 4 LEU N N 7.718 4.353 3.792 1.00 . A A . 4 LEU N 1 1
4 299 1 1 4 LEU O O 8.814 7.457 4.933 1.00 . A A . 4 LEU O 1 1
4 300 1 1 5 CYS C C 6.368 8.257 6.094 1.00 . A A . 5 CYS C 1 1
4 301 1 1 5 CYS CA C 6.186 8.222 4.579 1.00 . A A . 5 CYS CA 1 1
4 302 1 1 5 CYS CB C 4.696 8.244 4.238 1.00 . A A . 5 CYS CB 1 1
4 303 1 1 5 CYS H H 6.275 6.436 3.445 1.00 . A A . 5 CYS H 1 1
4 304 1 1 5 CYS HA H 6.652 9.098 4.152 1.00 . A A . 5 CYS HA 1 1
4 305 1 1 5 CYS HB2 H 4.249 7.301 4.515 1.00 . A A . 5 CYS HB2 1 1
4 306 1 1 5 CYS HB3 H 4.213 9.044 4.779 1.00 . A A . 5 CYS HB3 1 1
4 307 1 1 5 CYS N N 6.808 7.033 4.009 1.00 . A A . 5 CYS N 1 1
4 308 1 1 5 CYS O O 5.887 9.172 6.765 1.00 . A A . 5 CYS O 1 1
4 309 1 1 5 CYS SG S 4.492 8.510 2.459 1.00 . A A . 5 CYS SG 1 1
4 310 1 1 6 ALA C C 8.731 7.625 8.393 1.00 . A A . 6 ALA C 1 1
4 311 1 1 6 ALA CA C 7.304 7.193 8.067 1.00 . A A . 6 ALA CA 1 1
4 312 1 1 6 ALA CB C 7.074 5.767 8.571 1.00 . A A . 6 ALA CB 1 1
4 313 1 1 6 ALA H H 7.427 6.558 6.049 1.00 . A A . 6 ALA H 1 1
4 314 1 1 6 ALA HA H 6.615 7.856 8.568 1.00 . A A . 6 ALA HA 1 1
4 315 1 1 6 ALA HB1 H 8.024 5.263 8.669 1.00 . A A . 6 ALA HB1 1 1
4 316 1 1 6 ALA HB2 H 6.454 5.232 7.869 1.00 . A A . 6 ALA HB2 1 1
4 317 1 1 6 ALA HB3 H 6.583 5.800 9.532 1.00 . A A . 6 ALA HB3 1 1
4 318 1 1 6 ALA N N 7.066 7.260 6.630 1.00 . A A . 6 ALA N 1 1
4 319 1 1 6 ALA O O 9.166 8.625 7.844 1.00 . A A . 6 ALA O 1 1
4 320 1 1 6 ALA OXT O 9.366 6.951 9.187 1.00 . A A . 6 ALA OXT 1 1
5 321 1 1 1 DAL C C 4.444 4.978 3.303 1.00 . A A . 1 DAL C 1 1
5 322 1 1 1 DAL CA C 4.396 5.555 1.896 1.00 . A A . 1 DAL CA 1 1
5 323 1 1 1 DAL CB C 4.401 7.084 1.958 1.00 . A A . 1 DAL CB 1 1
5 324 1 1 1 DAL H2 H 5.543 5.460 0.159 1.00 . A A . 1 DAL H2 1 1
5 325 1 1 1 DAL H3 H 5.594 4.047 1.101 1.00 . A A . 1 DAL H3 1 1
5 326 1 1 1 DAL HA H 3.496 5.220 1.403 1.00 . A A . 1 DAL HA 1 1
5 327 1 1 1 DAL HB1 H 3.723 7.471 1.213 1.00 . A A . 1 DAL HB1 1 1
5 328 1 1 1 DAL HB2 H 5.397 7.446 1.760 1.00 . A A . 1 DAL HB2 1 1
5 329 1 1 1 DAL N N 5.587 5.087 1.130 1.00 . A A . 1 DAL N 1 1
5 330 1 1 1 DAL O O 5.458 5.084 3.992 1.00 . A A . 1 DAL O 1 1
5 331 1 1 2 LEU C C 4.642 3.360 5.529 1.00 . A A . 2 LEU C 1 1
5 332 1 1 2 LEU CA C 3.258 3.792 5.059 1.00 . A A . 2 LEU CA 1 1
5 333 1 1 2 LEU CB C 2.321 2.582 5.051 1.00 . A A . 2 LEU CB 1 1
5 334 1 1 2 LEU CD1 C 2.425 2.531 7.553 1.00 . A A . 2 LEU CD1 1 1
5 335 1 1 2 LEU CD2 C 0.623 3.826 6.401 1.00 . A A . 2 LEU CD2 1 1
5 336 1 1 2 LEU CG C 1.491 2.566 6.339 1.00 . A A . 2 LEU CG 1 1
5 337 1 1 2 LEU H H 2.558 4.336 3.131 1.00 . A A . 2 LEU H 1 1
5 338 1 1 2 LEU HA H 2.871 4.532 5.743 1.00 . A A . 2 LEU HA 1 1
5 339 1 1 2 LEU HB2 H 1.661 2.642 4.197 1.00 . A A . 2 LEU HB2 1 1
5 340 1 1 2 LEU HB3 H 2.904 1.675 4.992 1.00 . A A . 2 LEU HB3 1 1
5 341 1 1 2 LEU HD11 H 1.853 2.301 8.440 1.00 . A A . 2 LEU HD11 1 1
5 342 1 1 2 LEU HD12 H 2.899 3.493 7.671 1.00 . A A . 2 LEU HD12 1 1
5 343 1 1 2 LEU HD13 H 3.179 1.773 7.405 1.00 . A A . 2 LEU HD13 1 1
5 344 1 1 2 LEU HD21 H 0.668 4.342 5.452 1.00 . A A . 2 LEU HD21 1 1
5 345 1 1 2 LEU HD22 H 0.987 4.478 7.181 1.00 . A A . 2 LEU HD22 1 1
5 346 1 1 2 LEU HD23 H -0.399 3.549 6.611 1.00 . A A . 2 LEU HD23 1 1
5 347 1 1 2 LEU HG H 0.858 1.691 6.348 1.00 . A A . 2 LEU HG 1 1
5 348 1 1 2 LEU N N 3.336 4.379 3.726 1.00 . A A . 2 LEU N 1 1
5 349 1 1 2 LEU O O 4.954 3.418 6.718 1.00 . A A . 2 LEU O 1 1
5 350 1 1 3 SER C C 7.815 3.635 4.810 1.00 . A A . 3 SER C 1 1
5 351 1 1 3 SER CA C 6.818 2.479 4.904 1.00 . A A . 3 SER CA 1 1
5 352 1 1 3 SER CB C 7.239 1.365 3.945 1.00 . A A . 3 SER CB 1 1
5 353 1 1 3 SER H H 5.160 2.897 3.653 1.00 . A A . 3 SER H 1 1
5 354 1 1 3 SER HA H 6.828 2.091 5.910 1.00 . A A . 3 SER HA 1 1
5 355 1 1 3 SER HB2 H 6.800 0.433 4.257 1.00 . A A . 3 SER HB2 1 1
5 356 1 1 3 SER HB3 H 6.897 1.604 2.946 1.00 . A A . 3 SER HB3 1 1
5 357 1 1 3 SER HG H 8.896 0.524 3.369 1.00 . A A . 3 SER HG 1 1
5 358 1 1 3 SER N N 5.467 2.923 4.583 1.00 . A A . 3 SER N 1 1
5 359 1 1 3 SER O O 8.653 3.812 5.694 1.00 . A A . 3 SER O 1 1
5 360 1 1 3 SER OG O 8.655 1.242 3.958 1.00 . A A . 3 SER OG 1 1
5 361 1 1 4 LEU C C 8.130 6.794 4.250 1.00 . A A . 4 LEU C 1 1
5 362 1 1 4 LEU CA C 8.640 5.538 3.540 1.00 . A A . 4 LEU CA 1 1
5 363 1 1 4 LEU CB C 8.817 5.821 2.044 1.00 . A A . 4 LEU CB 1 1
5 364 1 1 4 LEU CD1 C 10.529 6.358 0.302 1.00 . A A . 4 LEU CD1 1 1
5 365 1 1 4 LEU CD2 C 10.186 7.907 2.230 1.00 . A A . 4 LEU CD2 1 1
5 366 1 1 4 LEU CG C 10.195 6.441 1.793 1.00 . A A . 4 LEU CG 1 1
5 367 1 1 4 LEU H H 7.047 4.225 3.054 1.00 . A A . 4 LEU H 1 1
5 368 1 1 4 LEU HA H 9.600 5.275 3.957 1.00 . A A . 4 LEU HA 1 1
5 369 1 1 4 LEU HB2 H 8.735 4.896 1.491 1.00 . A A . 4 LEU HB2 1 1
5 370 1 1 4 LEU HB3 H 8.053 6.507 1.713 1.00 . A A . 4 LEU HB3 1 1
5 371 1 1 4 LEU HD11 H 9.615 6.323 -0.271 1.00 . A A . 4 LEU HD11 1 1
5 372 1 1 4 LEU HD12 H 11.106 5.464 0.112 1.00 . A A . 4 LEU HD12 1 1
5 373 1 1 4 LEU HD13 H 11.103 7.226 0.013 1.00 . A A . 4 LEU HD13 1 1
5 374 1 1 4 LEU HD21 H 10.952 8.447 1.694 1.00 . A A . 4 LEU HD21 1 1
5 375 1 1 4 LEU HD22 H 10.377 7.968 3.291 1.00 . A A . 4 LEU HD22 1 1
5 376 1 1 4 LEU HD23 H 9.221 8.341 2.013 1.00 . A A . 4 LEU HD23 1 1
5 377 1 1 4 LEU HG H 10.942 5.899 2.357 1.00 . A A . 4 LEU HG 1 1
5 378 1 1 4 LEU N N 7.727 4.414 3.733 1.00 . A A . 4 LEU N 1 1
5 379 1 1 4 LEU O O 8.907 7.513 4.880 1.00 . A A . 4 LEU O 1 1
5 380 1 1 5 CYS C C 5.661 7.854 6.155 1.00 . A A . 5 CYS C 1 1
5 381 1 1 5 CYS CA C 6.254 8.233 4.801 1.00 . A A . 5 CYS CA 1 1
5 382 1 1 5 CYS CB C 5.166 8.854 3.919 1.00 . A A . 5 CYS CB 1 1
5 383 1 1 5 CYS H H 6.246 6.454 3.643 1.00 . A A . 5 CYS H 1 1
5 384 1 1 5 CYS HA H 7.036 8.961 4.955 1.00 . A A . 5 CYS HA 1 1
5 385 1 1 5 CYS HB2 H 4.741 9.707 4.428 1.00 . A A . 5 CYS HB2 1 1
5 386 1 1 5 CYS HB3 H 5.599 9.177 2.986 1.00 . A A . 5 CYS HB3 1 1
5 387 1 1 5 CYS N N 6.828 7.057 4.152 1.00 . A A . 5 CYS N 1 1
5 388 1 1 5 CYS O O 4.485 8.102 6.421 1.00 . A A . 5 CYS O 1 1
5 389 1 1 5 CYS SG S 3.863 7.634 3.603 1.00 . A A . 5 CYS SG 1 1
5 390 1 1 6 ALA C C 6.401 7.891 9.371 1.00 . A A . 6 ALA C 1 1
5 391 1 1 6 ALA CA C 6.040 6.836 8.329 1.00 . A A . 6 ALA CA 1 1
5 392 1 1 6 ALA CB C 6.692 5.504 8.703 1.00 . A A . 6 ALA CB 1 1
5 393 1 1 6 ALA H H 7.412 7.079 6.733 1.00 . A A . 6 ALA H 1 1
5 394 1 1 6 ALA HA H 4.968 6.708 8.315 1.00 . A A . 6 ALA HA 1 1
5 395 1 1 6 ALA HB1 H 7.741 5.661 8.908 1.00 . A A . 6 ALA HB1 1 1
5 396 1 1 6 ALA HB2 H 6.587 4.809 7.882 1.00 . A A . 6 ALA HB2 1 1
5 397 1 1 6 ALA HB3 H 6.211 5.100 9.581 1.00 . A A . 6 ALA HB3 1 1
5 398 1 1 6 ALA N N 6.485 7.250 7.004 1.00 . A A . 6 ALA N 1 1
5 399 1 1 6 ALA O O 5.917 7.785 10.486 1.00 . A A . 6 ALA O 1 1
5 400 1 1 6 ALA OXT O 7.157 8.789 9.038 1.00 . A A . 6 ALA OXT 1 1
6 401 1 1 1 DAL C C 4.276 5.211 3.364 1.00 . A A . 1 DAL C 1 1
6 402 1 1 1 DAL CA C 4.279 5.809 1.961 1.00 . A A . 1 DAL CA 1 1
6 403 1 1 1 DAL CB C 3.715 7.229 2.007 1.00 . A A . 1 DAL CB 1 1
6 404 1 1 1 DAL H2 H 5.809 5.048 0.775 1.00 . A A . 1 DAL H2 1 1
6 405 1 1 1 DAL H3 H 6.343 5.763 2.221 1.00 . A A . 1 DAL H3 1 1
6 406 1 1 1 DAL HA H 3.665 5.202 1.313 1.00 . A A . 1 DAL HA 1 1
6 407 1 1 1 DAL HB1 H 2.990 7.297 2.798 1.00 . A A . 1 DAL HB1 1 1
6 408 1 1 1 DAL HB2 H 3.239 7.455 1.064 1.00 . A A . 1 DAL HB2 1 1
6 409 1 1 1 DAL N N 5.670 5.842 1.433 1.00 . A A . 1 DAL N 1 1
6 410 1 1 1 DAL O O 5.067 5.602 4.222 1.00 . A A . 1 DAL O 1 1
6 411 1 1 2 LEU C C 4.652 3.364 5.489 1.00 . A A . 2 LEU C 1 1
6 412 1 1 2 LEU CA C 3.270 3.623 4.895 1.00 . A A . 2 LEU CA 1 1
6 413 1 1 2 LEU CB C 2.516 2.299 4.759 1.00 . A A . 2 LEU CB 1 1
6 414 1 1 2 LEU CD1 C 0.388 3.533 4.332 1.00 . A A . 2 LEU CD1 1 1
6 415 1 1 2 LEU CD2 C 0.322 1.156 5.095 1.00 . A A . 2 LEU CD2 1 1
6 416 1 1 2 LEU CG C 1.069 2.487 5.215 1.00 . A A . 2 LEU CG 1 1
6 417 1 1 2 LEU H H 2.768 3.997 2.873 1.00 . A A . 2 LEU H 1 1
6 418 1 1 2 LEU HA H 2.717 4.269 5.559 1.00 . A A . 2 LEU HA 1 1
6 419 1 1 2 LEU HB2 H 2.532 1.981 3.726 1.00 . A A . 2 LEU HB2 1 1
6 420 1 1 2 LEU HB3 H 2.990 1.549 5.373 1.00 . A A . 2 LEU HB3 1 1
6 421 1 1 2 LEU HD11 H 1.135 4.055 3.752 1.00 . A A . 2 LEU HD11 1 1
6 422 1 1 2 LEU HD12 H -0.143 4.238 4.953 1.00 . A A . 2 LEU HD12 1 1
6 423 1 1 2 LEU HD13 H -0.307 3.045 3.666 1.00 . A A . 2 LEU HD13 1 1
6 424 1 1 2 LEU HD21 H 0.426 0.774 4.090 1.00 . A A . 2 LEU HD21 1 1
6 425 1 1 2 LEU HD22 H -0.724 1.309 5.316 1.00 . A A . 2 LEU HD22 1 1
6 426 1 1 2 LEU HD23 H 0.737 0.445 5.795 1.00 . A A . 2 LEU HD23 1 1
6 427 1 1 2 LEU HG H 1.056 2.818 6.243 1.00 . A A . 2 LEU HG 1 1
6 428 1 1 2 LEU N N 3.376 4.265 3.592 1.00 . A A . 2 LEU N 1 1
6 429 1 1 2 LEU O O 4.895 3.651 6.662 1.00 . A A . 2 LEU O 1 1
6 430 1 1 3 SER C C 7.879 3.639 4.896 1.00 . A A . 3 SER C 1 1
6 431 1 1 3 SER CA C 6.894 2.493 5.152 1.00 . A A . 3 SER CA 1 1
6 432 1 1 3 SER CB C 7.403 1.228 4.462 1.00 . A A . 3 SER CB 1 1
6 433 1 1 3 SER H H 5.292 2.581 3.761 1.00 . A A . 3 SER H 1 1
6 434 1 1 3 SER HA H 6.853 2.307 6.214 1.00 . A A . 3 SER HA 1 1
6 435 1 1 3 SER HB2 H 6.569 0.597 4.203 1.00 . A A . 3 SER HB2 1 1
6 436 1 1 3 SER HB3 H 7.940 1.499 3.563 1.00 . A A . 3 SER HB3 1 1
6 437 1 1 3 SER HG H 8.985 1.110 5.591 1.00 . A A . 3 SER HG 1 1
6 438 1 1 3 SER N N 5.547 2.804 4.681 1.00 . A A . 3 SER N 1 1
6 439 1 1 3 SER O O 8.793 3.858 5.691 1.00 . A A . 3 SER O 1 1
6 440 1 1 3 SER OG O 8.264 0.525 5.349 1.00 . A A . 3 SER OG 1 1
6 441 1 1 4 LEU C C 8.161 6.755 4.144 1.00 . A A . 4 LEU C 1 1
6 442 1 1 4 LEU CA C 8.620 5.463 3.474 1.00 . A A . 4 LEU CA 1 1
6 443 1 1 4 LEU CB C 8.702 5.662 1.953 1.00 . A A . 4 LEU CB 1 1
6 444 1 1 4 LEU CD1 C 10.452 5.958 0.194 1.00 . A A . 4 LEU CD1 1 1
6 445 1 1 4 LEU CD2 C 9.725 7.912 1.564 1.00 . A A . 4 LEU CD2 1 1
6 446 1 1 4 LEU CG C 9.991 6.404 1.583 1.00 . A A . 4 LEU CG 1 1
6 447 1 1 4 LEU H H 6.972 4.151 3.176 1.00 . A A . 4 LEU H 1 1
6 448 1 1 4 LEU HA H 9.601 5.210 3.845 1.00 . A A . 4 LEU HA 1 1
6 449 1 1 4 LEU HB2 H 8.691 4.700 1.463 1.00 . A A . 4 LEU HB2 1 1
6 450 1 1 4 LEU HB3 H 7.855 6.242 1.622 1.00 . A A . 4 LEU HB3 1 1
6 451 1 1 4 LEU HD11 H 11.046 6.737 -0.256 1.00 . A A . 4 LEU HD11 1 1
6 452 1 1 4 LEU HD12 H 9.589 5.760 -0.425 1.00 . A A . 4 LEU HD12 1 1
6 453 1 1 4 LEU HD13 H 11.044 5.058 0.282 1.00 . A A . 4 LEU HD13 1 1
6 454 1 1 4 LEU HD21 H 9.514 8.228 0.552 1.00 . A A . 4 LEU HD21 1 1
6 455 1 1 4 LEU HD22 H 10.596 8.436 1.930 1.00 . A A . 4 LEU HD22 1 1
6 456 1 1 4 LEU HD23 H 8.878 8.136 2.195 1.00 . A A . 4 LEU HD23 1 1
6 457 1 1 4 LEU HG H 10.763 6.182 2.305 1.00 . A A . 4 LEU HG 1 1
6 458 1 1 4 LEU N N 7.708 4.361 3.789 1.00 . A A . 4 LEU N 1 1
6 459 1 1 4 LEU O O 8.974 7.508 4.682 1.00 . A A . 4 LEU O 1 1
6 460 1 1 5 CYS C C 6.170 8.038 6.229 1.00 . A A . 5 CYS C 1 1
6 461 1 1 5 CYS CA C 6.304 8.209 4.718 1.00 . A A . 5 CYS CA 1 1
6 462 1 1 5 CYS CB C 4.935 8.505 4.110 1.00 . A A . 5 CYS CB 1 1
6 463 1 1 5 CYS H H 6.257 6.374 3.669 1.00 . A A . 5 CYS H 1 1
6 464 1 1 5 CYS HA H 6.963 9.041 4.516 1.00 . A A . 5 CYS HA 1 1
6 465 1 1 5 CYS HB2 H 4.223 7.779 4.468 1.00 . A A . 5 CYS HB2 1 1
6 466 1 1 5 CYS HB3 H 4.617 9.495 4.399 1.00 . A A . 5 CYS HB3 1 1
6 467 1 1 5 CYS N N 6.859 7.007 4.111 1.00 . A A . 5 CYS N 1 1
6 468 1 1 5 CYS O O 5.090 8.230 6.790 1.00 . A A . 5 CYS O 1 1
6 469 1 1 5 CYS SG S 5.056 8.413 2.302 1.00 . A A . 5 CYS SG 1 1
6 470 1 1 6 ALA C C 8.601 7.894 8.932 1.00 . A A . 6 ALA C 1 1
6 471 1 1 6 ALA CA C 7.261 7.485 8.328 1.00 . A A . 6 ALA CA 1 1
6 472 1 1 6 ALA CB C 6.978 6.018 8.662 1.00 . A A . 6 ALA CB 1 1
6 473 1 1 6 ALA H H 8.102 7.538 6.383 1.00 . A A . 6 ALA H 1 1
6 474 1 1 6 ALA HA H 6.482 8.096 8.759 1.00 . A A . 6 ALA HA 1 1
6 475 1 1 6 ALA HB1 H 5.937 5.800 8.473 1.00 . A A . 6 ALA HB1 1 1
6 476 1 1 6 ALA HB2 H 7.201 5.837 9.703 1.00 . A A . 6 ALA HB2 1 1
6 477 1 1 6 ALA HB3 H 7.597 5.383 8.046 1.00 . A A . 6 ALA HB3 1 1
6 478 1 1 6 ALA N N 7.270 7.677 6.882 1.00 . A A . 6 ALA N 1 1
6 479 1 1 6 ALA O O 9.568 7.183 8.713 1.00 . A A . 6 ALA O 1 1
6 480 1 1 6 ALA OXT O 8.640 8.912 9.602 1.00 . A A . 6 ALA OXT 1 1
7 481 1 1 1 DAL C C 4.329 5.154 3.378 1.00 . A A . 1 DAL C 1 1
7 482 1 1 1 DAL CA C 4.350 5.694 1.953 1.00 . A A . 1 DAL CA 1 1
7 483 1 1 1 DAL CB C 3.816 7.129 1.928 1.00 . A A . 1 DAL CB 1 1
7 484 1 1 1 DAL H2 H 5.889 4.830 0.851 1.00 . A A . 1 DAL H2 1 1
7 485 1 1 1 DAL H3 H 6.411 5.653 2.241 1.00 . A A . 1 DAL H3 1 1
7 486 1 1 1 DAL HA H 3.730 5.071 1.325 1.00 . A A . 1 DAL HA 1 1
7 487 1 1 1 DAL HB1 H 3.068 7.246 2.692 1.00 . A A . 1 DAL HB1 1 1
7 488 1 1 1 DAL HB2 H 3.374 7.327 0.962 1.00 . A A . 1 DAL HB2 1 1
7 489 1 1 1 DAL N N 5.748 5.675 1.441 1.00 . A A . 1 DAL N 1 1
7 490 1 1 1 DAL O O 5.178 5.501 4.197 1.00 . A A . 1 DAL O 1 1
7 491 1 1 2 LEU C C 4.636 3.340 5.525 1.00 . A A . 2 LEU C 1 1
7 492 1 1 2 LEU CA C 3.252 3.713 4.999 1.00 . A A . 2 LEU CA 1 1
7 493 1 1 2 LEU CB C 2.368 2.465 4.953 1.00 . A A . 2 LEU CB 1 1
7 494 1 1 2 LEU CD1 C 1.932 2.689 7.404 1.00 . A A . 2 LEU CD1 1 1
7 495 1 1 2 LEU CD2 C 0.410 3.792 5.755 1.00 . A A . 2 LEU CD2 1 1
7 496 1 1 2 LEU CG C 1.281 2.561 6.025 1.00 . A A . 2 LEU CG 1 1
7 497 1 1 2 LEU H H 2.708 4.048 2.978 1.00 . A A . 2 LEU H 1 1
7 498 1 1 2 LEU HA H 2.805 4.436 5.666 1.00 . A A . 2 LEU HA 1 1
7 499 1 1 2 LEU HB2 H 1.906 2.388 3.979 1.00 . A A . 2 LEU HB2 1 1
7 500 1 1 2 LEU HB3 H 2.972 1.588 5.134 1.00 . A A . 2 LEU HB3 1 1
7 501 1 1 2 LEU HD11 H 1.511 1.952 8.071 1.00 . A A . 2 LEU HD11 1 1
7 502 1 1 2 LEU HD12 H 1.749 3.678 7.799 1.00 . A A . 2 LEU HD12 1 1
7 503 1 1 2 LEU HD13 H 2.997 2.528 7.317 1.00 . A A . 2 LEU HD13 1 1
7 504 1 1 2 LEU HD21 H -0.629 3.534 5.894 1.00 . A A . 2 LEU HD21 1 1
7 505 1 1 2 LEU HD22 H 0.566 4.128 4.741 1.00 . A A . 2 LEU HD22 1 1
7 506 1 1 2 LEU HD23 H 0.680 4.581 6.441 1.00 . A A . 2 LEU HD23 1 1
7 507 1 1 2 LEU HG H 0.669 1.672 5.999 1.00 . A A . 2 LEU HG 1 1
7 508 1 1 2 LEU N N 3.359 4.296 3.669 1.00 . A A . 2 LEU N 1 1
7 509 1 1 2 LEU O O 4.911 3.453 6.720 1.00 . A A . 2 LEU O 1 1
7 510 1 1 3 SER C C 7.841 3.643 4.858 1.00 . A A . 3 SER C 1 1
7 511 1 1 3 SER CA C 6.851 2.485 4.996 1.00 . A A . 3 SER CA 1 1
7 512 1 1 3 SER CB C 7.305 1.322 4.113 1.00 . A A . 3 SER CB 1 1
7 513 1 1 3 SER H H 5.218 2.810 3.685 1.00 . A A . 3 SER H 1 1
7 514 1 1 3 SER HA H 6.843 2.154 6.023 1.00 . A A . 3 SER HA 1 1
7 515 1 1 3 SER HB2 H 7.949 0.669 4.677 1.00 . A A . 3 SER HB2 1 1
7 516 1 1 3 SER HB3 H 6.438 0.767 3.777 1.00 . A A . 3 SER HB3 1 1
7 517 1 1 3 SER HG H 8.457 2.643 3.268 1.00 . A A . 3 SER HG 1 1
7 518 1 1 3 SER N N 5.499 2.886 4.621 1.00 . A A . 3 SER N 1 1
7 519 1 1 3 SER O O 8.681 3.853 5.733 1.00 . A A . 3 SER O 1 1
7 520 1 1 3 SER OG O 8.018 1.834 2.995 1.00 . A A . 3 SER OG 1 1
7 521 1 1 4 LEU C C 8.152 6.767 4.225 1.00 . A A . 4 LEU C 1 1
7 522 1 1 4 LEU CA C 8.660 5.507 3.530 1.00 . A A . 4 LEU CA 1 1
7 523 1 1 4 LEU CB C 8.802 5.766 2.025 1.00 . A A . 4 LEU CB 1 1
7 524 1 1 4 LEU CD1 C 10.616 6.313 0.397 1.00 . A A . 4 LEU CD1 1 1
7 525 1 1 4 LEU CD2 C 9.592 8.125 1.775 1.00 . A A . 4 LEU CD2 1 1
7 526 1 1 4 LEU CG C 10.020 6.655 1.764 1.00 . A A . 4 LEU CG 1 1
7 527 1 1 4 LEU H H 7.068 4.177 3.085 1.00 . A A . 4 LEU H 1 1
7 528 1 1 4 LEU HA H 9.629 5.253 3.931 1.00 . A A . 4 LEU HA 1 1
7 529 1 1 4 LEU HB2 H 8.927 4.827 1.508 1.00 . A A . 4 LEU HB2 1 1
7 530 1 1 4 LEU HB3 H 7.916 6.262 1.661 1.00 . A A . 4 LEU HB3 1 1
7 531 1 1 4 LEU HD11 H 11.583 6.785 0.296 1.00 . A A . 4 LEU HD11 1 1
7 532 1 1 4 LEU HD12 H 9.958 6.670 -0.383 1.00 . A A . 4 LEU HD12 1 1
7 533 1 1 4 LEU HD13 H 10.727 5.243 0.311 1.00 . A A . 4 LEU HD13 1 1
7 534 1 1 4 LEU HD21 H 8.673 8.228 2.335 1.00 . A A . 4 LEU HD21 1 1
7 535 1 1 4 LEU HD22 H 9.434 8.462 0.762 1.00 . A A . 4 LEU HD22 1 1
7 536 1 1 4 LEU HD23 H 10.364 8.723 2.236 1.00 . A A . 4 LEU HD23 1 1
7 537 1 1 4 LEU HG H 10.763 6.489 2.531 1.00 . A A . 4 LEU HG 1 1
7 538 1 1 4 LEU N N 7.750 4.386 3.757 1.00 . A A . 4 LEU N 1 1
7 539 1 1 4 LEU O O 8.923 7.493 4.852 1.00 . A A . 4 LEU O 1 1
7 540 1 1 5 CYS C C 5.959 7.942 6.197 1.00 . A A . 5 CYS C 1 1
7 541 1 1 5 CYS CA C 6.255 8.198 4.722 1.00 . A A . 5 CYS CA 1 1
7 542 1 1 5 CYS CB C 4.957 8.551 3.997 1.00 . A A . 5 CYS CB 1 1
7 543 1 1 5 CYS H H 6.289 6.408 3.592 1.00 . A A . 5 CYS H 1 1
7 544 1 1 5 CYS HA H 6.939 9.027 4.638 1.00 . A A . 5 CYS HA 1 1
7 545 1 1 5 CYS HB2 H 4.162 7.923 4.365 1.00 . A A . 5 CYS HB2 1 1
7 546 1 1 5 CYS HB3 H 4.713 9.587 4.183 1.00 . A A . 5 CYS HB3 1 1
7 547 1 1 5 CYS N N 6.855 7.021 4.105 1.00 . A A . 5 CYS N 1 1
7 548 1 1 5 CYS O O 5.054 8.547 6.771 1.00 . A A . 5 CYS O 1 1
7 549 1 1 5 CYS SG S 5.179 8.294 2.213 1.00 . A A . 5 CYS SG 1 1
7 550 1 1 6 ALA C C 6.404 7.992 9.043 1.00 . A A . 6 ALA C 1 1
7 551 1 1 6 ALA CA C 6.533 6.719 8.212 1.00 . A A . 6 ALA CA 1 1
7 552 1 1 6 ALA CB C 7.709 5.889 8.728 1.00 . A A . 6 ALA CB 1 1
7 553 1 1 6 ALA H H 7.432 6.590 6.298 1.00 . A A . 6 ALA H 1 1
7 554 1 1 6 ALA HA H 5.626 6.141 8.316 1.00 . A A . 6 ALA HA 1 1
7 555 1 1 6 ALA HB1 H 8.069 5.245 7.938 1.00 . A A . 6 ALA HB1 1 1
7 556 1 1 6 ALA HB2 H 7.385 5.286 9.563 1.00 . A A . 6 ALA HB2 1 1
7 557 1 1 6 ALA HB3 H 8.503 6.547 9.046 1.00 . A A . 6 ALA HB3 1 1
7 558 1 1 6 ALA N N 6.726 7.043 6.804 1.00 . A A . 6 ALA N 1 1
7 559 1 1 6 ALA O O 5.295 8.300 9.450 1.00 . A A . 6 ALA O 1 1
7 560 1 1 6 ALA OXT O 7.415 8.640 9.259 1.00 . A A . 6 ALA OXT 1 1
8 561 1 1 1 DAL C C 4.296 5.034 3.409 1.00 . A A . 1 DAL C 1 1
8 562 1 1 1 DAL CA C 4.294 5.794 2.088 1.00 . A A . 1 DAL CA 1 1
8 563 1 1 1 DAL CB C 4.068 7.283 2.350 1.00 . A A . 1 DAL CB 1 1
8 564 1 1 1 DAL H2 H 5.524 5.907 0.414 1.00 . A A . 1 DAL H2 1 1
8 565 1 1 1 DAL H3 H 5.872 4.602 1.444 1.00 . A A . 1 DAL H3 1 1
8 566 1 1 1 DAL HA H 3.502 5.416 1.458 1.00 . A A . 1 DAL HA 1 1
8 567 1 1 1 DAL HB1 H 3.751 7.420 3.372 1.00 . A A . 1 DAL HB1 1 1
8 568 1 1 1 DAL HB2 H 3.305 7.653 1.682 1.00 . A A . 1 DAL HB2 1 1
8 569 1 1 1 DAL N N 5.604 5.605 1.406 1.00 . A A . 1 DAL N 1 1
8 570 1 1 1 DAL O O 5.222 5.165 4.210 1.00 . A A . 1 DAL O 1 1
8 571 1 1 2 LEU C C 4.488 3.221 5.487 1.00 . A A . 2 LEU C 1 1
8 572 1 1 2 LEU CA C 3.126 3.459 4.847 1.00 . A A . 2 LEU CA 1 1
8 573 1 1 2 LEU CB C 2.481 2.111 4.530 1.00 . A A . 2 LEU CB 1 1
8 574 1 1 2 LEU CD1 C 0.568 1.349 3.124 1.00 . A A . 2 LEU CD1 1 1
8 575 1 1 2 LEU CD2 C 0.183 2.031 5.496 1.00 . A A . 2 LEU CD2 1 1
8 576 1 1 2 LEU CG C 0.997 2.312 4.231 1.00 . A A . 2 LEU CG 1 1
8 577 1 1 2 LEU H H 2.548 4.185 2.945 1.00 . A A . 2 LEU H 1 1
8 578 1 1 2 LEU HA H 2.498 3.991 5.544 1.00 . A A . 2 LEU HA 1 1
8 579 1 1 2 LEU HB2 H 2.966 1.675 3.669 1.00 . A A . 2 LEU HB2 1 1
8 580 1 1 2 LEU HB3 H 2.589 1.451 5.378 1.00 . A A . 2 LEU HB3 1 1
8 581 1 1 2 LEU HD11 H 0.673 1.835 2.165 1.00 . A A . 2 LEU HD11 1 1
8 582 1 1 2 LEU HD12 H -0.461 1.064 3.274 1.00 . A A . 2 LEU HD12 1 1
8 583 1 1 2 LEU HD13 H 1.194 0.469 3.151 1.00 . A A . 2 LEU HD13 1 1
8 584 1 1 2 LEU HD21 H 0.532 2.667 6.296 1.00 . A A . 2 LEU HD21 1 1
8 585 1 1 2 LEU HD22 H 0.304 0.996 5.779 1.00 . A A . 2 LEU HD22 1 1
8 586 1 1 2 LEU HD23 H -0.861 2.233 5.304 1.00 . A A . 2 LEU HD23 1 1
8 587 1 1 2 LEU HG H 0.829 3.330 3.909 1.00 . A A . 2 LEU HG 1 1
8 588 1 1 2 LEU N N 3.252 4.243 3.624 1.00 . A A . 2 LEU N 1 1
8 589 1 1 2 LEU O O 4.630 3.279 6.709 1.00 . A A . 2 LEU O 1 1
8 590 1 1 3 SER C C 7.762 3.866 4.947 1.00 . A A . 3 SER C 1 1
8 591 1 1 3 SER CA C 6.828 2.673 5.161 1.00 . A A . 3 SER CA 1 1
8 592 1 1 3 SER CB C 7.406 1.436 4.473 1.00 . A A . 3 SER CB 1 1
8 593 1 1 3 SER H H 5.311 2.891 3.693 1.00 . A A . 3 SER H 1 1
8 594 1 1 3 SER HA H 6.762 2.473 6.220 1.00 . A A . 3 SER HA 1 1
8 595 1 1 3 SER HB2 H 6.646 0.675 4.399 1.00 . A A . 3 SER HB2 1 1
8 596 1 1 3 SER HB3 H 7.741 1.701 3.480 1.00 . A A . 3 SER HB3 1 1
8 597 1 1 3 SER HG H 8.147 0.629 6.080 1.00 . A A . 3 SER HG 1 1
8 598 1 1 3 SER N N 5.485 2.937 4.657 1.00 . A A . 3 SER N 1 1
8 599 1 1 3 SER O O 8.403 4.332 5.890 1.00 . A A . 3 SER O 1 1
8 600 1 1 3 SER OG O 8.493 0.936 5.239 1.00 . A A . 3 SER OG 1 1
8 601 1 1 4 LEU C C 8.245 6.758 4.091 1.00 . A A . 4 LEU C 1 1
8 602 1 1 4 LEU CA C 8.736 5.479 3.412 1.00 . A A . 4 LEU CA 1 1
8 603 1 1 4 LEU CB C 8.838 5.701 1.896 1.00 . A A . 4 LEU CB 1 1
8 604 1 1 4 LEU CD1 C 8.965 3.367 1.010 1.00 . A A . 4 LEU CD1 1 1
8 605 1 1 4 LEU CD2 C 10.319 5.179 -0.047 1.00 . A A . 4 LEU CD2 1 1
8 606 1 1 4 LEU CG C 9.759 4.647 1.276 1.00 . A A . 4 LEU CG 1 1
8 607 1 1 4 LEU H H 7.334 3.941 2.988 1.00 . A A . 4 LEU H 1 1
8 608 1 1 4 LEU HA H 9.720 5.249 3.791 1.00 . A A . 4 LEU HA 1 1
8 609 1 1 4 LEU HB2 H 7.858 5.625 1.453 1.00 . A A . 4 LEU HB2 1 1
8 610 1 1 4 LEU HB3 H 9.244 6.683 1.704 1.00 . A A . 4 LEU HB3 1 1
8 611 1 1 4 LEU HD11 H 8.794 2.850 1.942 1.00 . A A . 4 LEU HD11 1 1
8 612 1 1 4 LEU HD12 H 9.525 2.728 0.343 1.00 . A A . 4 LEU HD12 1 1
8 613 1 1 4 LEU HD13 H 8.017 3.618 0.558 1.00 . A A . 4 LEU HD13 1 1
8 614 1 1 4 LEU HD21 H 11.082 4.508 -0.410 1.00 . A A . 4 LEU HD21 1 1
8 615 1 1 4 LEU HD22 H 10.746 6.157 0.112 1.00 . A A . 4 LEU HD22 1 1
8 616 1 1 4 LEU HD23 H 9.523 5.246 -0.773 1.00 . A A . 4 LEU HD23 1 1
8 617 1 1 4 LEU HG H 10.572 4.432 1.953 1.00 . A A . 4 LEU HG 1 1
8 618 1 1 4 LEU N N 7.854 4.351 3.709 1.00 . A A . 4 LEU N 1 1
8 619 1 1 4 LEU O O 9.046 7.519 4.633 1.00 . A A . 4 LEU O 1 1
8 620 1 1 5 CYS C C 5.408 7.819 5.802 1.00 . A A . 5 CYS C 1 1
8 621 1 1 5 CYS CA C 6.383 8.193 4.691 1.00 . A A . 5 CYS CA 1 1
8 622 1 1 5 CYS CB C 5.674 9.062 3.649 1.00 . A A . 5 CYS CB 1 1
8 623 1 1 5 CYS H H 6.331 6.358 3.625 1.00 . A A . 5 CYS H 1 1
8 624 1 1 5 CYS HA H 7.194 8.762 5.120 1.00 . A A . 5 CYS HA 1 1
8 625 1 1 5 CYS HB2 H 4.671 9.281 3.981 1.00 . A A . 5 CYS HB2 1 1
8 626 1 1 5 CYS HB3 H 6.219 9.987 3.524 1.00 . A A . 5 CYS HB3 1 1
8 627 1 1 5 CYS N N 6.935 6.995 4.065 1.00 . A A . 5 CYS N 1 1
8 628 1 1 5 CYS O O 4.242 7.521 5.544 1.00 . A A . 5 CYS O 1 1
8 629 1 1 5 CYS SG S 5.612 8.185 2.065 1.00 . A A . 5 CYS SG 1 1
8 630 1 1 6 ALA C C 5.120 8.609 9.231 1.00 . A A . 6 ALA C 1 1
8 631 1 1 6 ALA CA C 5.060 7.502 8.185 1.00 . A A . 6 ALA CA 1 1
8 632 1 1 6 ALA CB C 5.531 6.185 8.806 1.00 . A A . 6 ALA CB 1 1
8 633 1 1 6 ALA H H 6.833 8.084 7.183 1.00 . A A . 6 ALA H 1 1
8 634 1 1 6 ALA HA H 4.039 7.386 7.854 1.00 . A A . 6 ALA HA 1 1
8 635 1 1 6 ALA HB1 H 4.845 5.890 9.587 1.00 . A A . 6 ALA HB1 1 1
8 636 1 1 6 ALA HB2 H 6.517 6.318 9.224 1.00 . A A . 6 ALA HB2 1 1
8 637 1 1 6 ALA HB3 H 5.561 5.418 8.046 1.00 . A A . 6 ALA HB3 1 1
8 638 1 1 6 ALA N N 5.895 7.837 7.039 1.00 . A A . 6 ALA N 1 1
8 639 1 1 6 ALA O O 6.209 9.094 9.491 1.00 . A A . 6 ALA O 1 1
8 640 1 1 6 ALA OXT O 4.076 8.958 9.757 1.00 . A A . 6 ALA OXT 1 1
9 641 1 1 1 DAL C C 4.480 4.988 3.274 1.00 . A A . 1 DAL C 1 1
9 642 1 1 1 DAL CA C 4.436 5.594 1.877 1.00 . A A . 1 DAL CA 1 1
9 643 1 1 1 DAL CB C 4.454 7.120 1.963 1.00 . A A . 1 DAL CB 1 1
9 644 1 1 1 DAL H2 H 5.812 5.801 0.328 1.00 . A A . 1 DAL H2 1 1
9 645 1 1 1 DAL H3 H 5.437 4.189 0.710 1.00 . A A . 1 DAL H3 1 1
9 646 1 1 1 DAL HA H 3.535 5.273 1.375 1.00 . A A . 1 DAL HA 1 1
9 647 1 1 1 DAL HB1 H 3.802 7.525 1.203 1.00 . A A . 1 DAL HB1 1 1
9 648 1 1 1 DAL HB2 H 5.460 7.473 1.799 1.00 . A A . 1 DAL HB2 1 1
9 649 1 1 1 DAL N N 5.624 5.133 1.102 1.00 . A A . 1 DAL N 1 1
9 650 1 1 1 DAL O O 5.506 5.045 3.951 1.00 . A A . 1 DAL O 1 1
9 651 1 1 2 LEU C C 4.653 3.422 5.531 1.00 . A A . 2 LEU C 1 1
9 652 1 1 2 LEU CA C 3.266 3.794 5.020 1.00 . A A . 2 LEU CA 1 1
9 653 1 1 2 LEU CB C 2.395 2.533 4.954 1.00 . A A . 2 LEU CB 1 1
9 654 1 1 2 LEU CD1 C 0.404 3.072 3.536 1.00 . A A . 2 LEU CD1 1 1
9 655 1 1 2 LEU CD2 C 0.112 1.802 5.663 1.00 . A A . 2 LEU CD2 1 1
9 656 1 1 2 LEU CG C 0.909 2.911 4.971 1.00 . A A . 2 LEU CG 1 1
9 657 1 1 2 LEU H H 2.575 4.405 3.109 1.00 . A A . 2 LEU H 1 1
9 658 1 1 2 LEU HA H 2.819 4.497 5.706 1.00 . A A . 2 LEU HA 1 1
9 659 1 1 2 LEU HB2 H 2.617 1.992 4.046 1.00 . A A . 2 LEU HB2 1 1
9 660 1 1 2 LEU HB3 H 2.611 1.905 5.806 1.00 . A A . 2 LEU HB3 1 1
9 661 1 1 2 LEU HD11 H -0.625 3.398 3.552 1.00 . A A . 2 LEU HD11 1 1
9 662 1 1 2 LEU HD12 H 0.475 2.125 3.022 1.00 . A A . 2 LEU HD12 1 1
9 663 1 1 2 LEU HD13 H 1.006 3.806 3.023 1.00 . A A . 2 LEU HD13 1 1
9 664 1 1 2 LEU HD21 H 0.555 1.587 6.625 1.00 . A A . 2 LEU HD21 1 1
9 665 1 1 2 LEU HD22 H 0.128 0.911 5.053 1.00 . A A . 2 LEU HD22 1 1
9 666 1 1 2 LEU HD23 H -0.909 2.124 5.802 1.00 . A A . 2 LEU HD23 1 1
9 667 1 1 2 LEU HG H 0.774 3.839 5.505 1.00 . A A . 2 LEU HG 1 1
9 668 1 1 2 LEU N N 3.357 4.412 3.697 1.00 . A A . 2 LEU N 1 1
9 669 1 1 2 LEU O O 4.963 3.604 6.710 1.00 . A A . 2 LEU O 1 1
9 670 1 1 3 SER C C 7.815 3.674 4.830 1.00 . A A . 3 SER C 1 1
9 671 1 1 3 SER CA C 6.841 2.507 5.002 1.00 . A A . 3 SER CA 1 1
9 672 1 1 3 SER CB C 7.290 1.332 4.133 1.00 . A A . 3 SER CB 1 1
9 673 1 1 3 SER H H 5.181 2.779 3.712 1.00 . A A . 3 SER H 1 1
9 674 1 1 3 SER HA H 6.847 2.196 6.036 1.00 . A A . 3 SER HA 1 1
9 675 1 1 3 SER HB2 H 7.394 0.450 4.743 1.00 . A A . 3 SER HB2 1 1
9 676 1 1 3 SER HB3 H 6.549 1.151 3.365 1.00 . A A . 3 SER HB3 1 1
9 677 1 1 3 SER HG H 8.408 2.357 2.915 1.00 . A A . 3 SER HG 1 1
9 678 1 1 3 SER N N 5.485 2.901 4.637 1.00 . A A . 3 SER N 1 1
9 679 1 1 3 SER O O 8.664 3.914 5.690 1.00 . A A . 3 SER O 1 1
9 680 1 1 3 SER OG O 8.544 1.641 3.539 1.00 . A A . 3 SER OG 1 1
9 681 1 1 4 LEU C C 8.108 6.777 4.180 1.00 . A A . 4 LEU C 1 1
9 682 1 1 4 LEU CA C 8.579 5.522 3.443 1.00 . A A . 4 LEU CA 1 1
9 683 1 1 4 LEU CB C 8.630 5.794 1.937 1.00 . A A . 4 LEU CB 1 1
9 684 1 1 4 LEU CD1 C 10.072 6.589 0.056 1.00 . A A . 4 LEU CD1 1 1
9 685 1 1 4 LEU CD2 C 10.108 7.785 2.249 1.00 . A A . 4 LEU CD2 1 1
9 686 1 1 4 LEU CG C 9.980 6.417 1.574 1.00 . A A . 4 LEU CG 1 1
9 687 1 1 4 LEU H H 7.007 4.153 3.060 1.00 . A A . 4 LEU H 1 1
9 688 1 1 4 LEU HA H 9.574 5.274 3.783 1.00 . A A . 4 LEU HA 1 1
9 689 1 1 4 LEU HB2 H 8.508 4.864 1.398 1.00 . A A . 4 LEU HB2 1 1
9 690 1 1 4 LEU HB3 H 7.839 6.474 1.665 1.00 . A A . 4 LEU HB3 1 1
9 691 1 1 4 LEU HD11 H 9.458 5.843 -0.428 1.00 . A A . 4 LEU HD11 1 1
9 692 1 1 4 LEU HD12 H 11.099 6.470 -0.258 1.00 . A A . 4 LEU HD12 1 1
9 693 1 1 4 LEU HD13 H 9.724 7.573 -0.217 1.00 . A A . 4 LEU HD13 1 1
9 694 1 1 4 LEU HD21 H 10.642 7.677 3.181 1.00 . A A . 4 LEU HD21 1 1
9 695 1 1 4 LEU HD22 H 9.124 8.185 2.442 1.00 . A A . 4 LEU HD22 1 1
9 696 1 1 4 LEU HD23 H 10.649 8.457 1.599 1.00 . A A . 4 LEU HD23 1 1
9 697 1 1 4 LEU HG H 10.776 5.770 1.912 1.00 . A A . 4 LEU HG 1 1
9 698 1 1 4 LEU N N 7.695 4.391 3.715 1.00 . A A . 4 LEU N 1 1
9 699 1 1 4 LEU O O 8.920 7.520 4.733 1.00 . A A . 4 LEU O 1 1
9 700 1 1 5 CYS C C 5.613 7.783 6.188 1.00 . A A . 5 CYS C 1 1
9 701 1 1 5 CYS CA C 6.244 8.180 4.858 1.00 . A A . 5 CYS CA 1 1
9 702 1 1 5 CYS CB C 5.187 8.845 3.974 1.00 . A A . 5 CYS CB 1 1
9 703 1 1 5 CYS H H 6.194 6.389 3.732 1.00 . A A . 5 CYS H 1 1
9 704 1 1 5 CYS HA H 7.040 8.887 5.043 1.00 . A A . 5 CYS HA 1 1
9 705 1 1 5 CYS HB2 H 4.764 9.689 4.500 1.00 . A A . 5 CYS HB2 1 1
9 706 1 1 5 CYS HB3 H 5.644 9.187 3.059 1.00 . A A . 5 CYS HB3 1 1
9 707 1 1 5 CYS N N 6.798 7.010 4.185 1.00 . A A . 5 CYS N 1 1
9 708 1 1 5 CYS O O 4.396 7.857 6.356 1.00 . A A . 5 CYS O 1 1
9 709 1 1 5 CYS SG S 3.874 7.651 3.598 1.00 . A A . 5 CYS SG 1 1
9 710 1 1 6 ALA C C 6.463 7.902 9.525 1.00 . A A . 6 ALA C 1 1
9 711 1 1 6 ALA CA C 5.958 6.953 8.443 1.00 . A A . 6 ALA CA 1 1
9 712 1 1 6 ALA CB C 6.423 5.529 8.752 1.00 . A A . 6 ALA CB 1 1
9 713 1 1 6 ALA H H 7.408 7.321 6.943 1.00 . A A . 6 ALA H 1 1
9 714 1 1 6 ALA HA H 4.878 6.973 8.436 1.00 . A A . 6 ALA HA 1 1
9 715 1 1 6 ALA HB1 H 6.699 5.459 9.794 1.00 . A A . 6 ALA HB1 1 1
9 716 1 1 6 ALA HB2 H 7.276 5.288 8.135 1.00 . A A . 6 ALA HB2 1 1
9 717 1 1 6 ALA HB3 H 5.621 4.835 8.545 1.00 . A A . 6 ALA HB3 1 1
9 718 1 1 6 ALA N N 6.448 7.361 7.132 1.00 . A A . 6 ALA N 1 1
9 719 1 1 6 ALA O O 5.865 8.952 9.691 1.00 . A A . 6 ALA O 1 1
9 720 1 1 6 ALA OXT O 7.440 7.563 10.172 1.00 . A A . 6 ALA OXT 1 1
10 721 1 1 1 DAL C C 4.484 4.981 3.267 1.00 . A A . 1 DAL C 1 1
10 722 1 1 1 DAL CA C 4.418 5.564 1.863 1.00 . A A . 1 DAL CA 1 1
10 723 1 1 1 DAL CB C 4.457 7.091 1.928 1.00 . A A . 1 DAL CB 1 1
10 724 1 1 1 DAL H2 H 6.393 4.927 1.704 1.00 . A A . 1 DAL H2 1 1
10 725 1 1 1 DAL H3 H 5.827 5.776 0.346 1.00 . A A . 1 DAL H3 1 1
10 726 1 1 1 DAL HA H 3.500 5.248 1.387 1.00 . A A . 1 DAL HA 1 1
10 727 1 1 1 DAL HB1 H 3.821 7.494 1.156 1.00 . A A . 1 DAL HB1 1 1
10 728 1 1 1 DAL HB2 H 5.468 7.427 1.773 1.00 . A A . 1 DAL HB2 1 1
10 729 1 1 1 DAL N N 5.580 5.073 1.071 1.00 . A A . 1 DAL N 1 1
10 730 1 1 1 DAL O O 5.526 5.031 3.918 1.00 . A A . 1 DAL O 1 1
10 731 1 1 2 LEU C C 4.681 3.423 5.533 1.00 . A A . 2 LEU C 1 1
10 732 1 1 2 LEU CA C 3.293 3.846 5.060 1.00 . A A . 2 LEU CA 1 1
10 733 1 1 2 LEU CB C 2.365 2.630 5.045 1.00 . A A . 2 LEU CB 1 1
10 734 1 1 2 LEU CD1 C 0.387 4.035 4.446 1.00 . A A . 2 LEU CD1 1 1
10 735 1 1 2 LEU CD2 C 0.057 1.823 5.556 1.00 . A A . 2 LEU CD2 1 1
10 736 1 1 2 LEU CG C 0.958 3.057 5.473 1.00 . A A . 2 LEU CG 1 1
10 737 1 1 2 LEU H H 2.564 4.437 3.156 1.00 . A A . 2 LEU H 1 1
10 738 1 1 2 LEU HA H 2.897 4.579 5.747 1.00 . A A . 2 LEU HA 1 1
10 739 1 1 2 LEU HB2 H 2.329 2.217 4.047 1.00 . A A . 2 LEU HB2 1 1
10 740 1 1 2 LEU HB3 H 2.737 1.885 5.732 1.00 . A A . 2 LEU HB3 1 1
10 741 1 1 2 LEU HD11 H -0.585 4.374 4.774 1.00 . A A . 2 LEU HD11 1 1
10 742 1 1 2 LEU HD12 H 0.291 3.539 3.491 1.00 . A A . 2 LEU HD12 1 1
10 743 1 1 2 LEU HD13 H 1.050 4.881 4.348 1.00 . A A . 2 LEU HD13 1 1
10 744 1 1 2 LEU HD21 H 0.510 1.089 6.207 1.00 . A A . 2 LEU HD21 1 1
10 745 1 1 2 LEU HD22 H -0.068 1.400 4.570 1.00 . A A . 2 LEU HD22 1 1
10 746 1 1 2 LEU HD23 H -0.907 2.107 5.951 1.00 . A A . 2 LEU HD23 1 1
10 747 1 1 2 LEU HG H 1.006 3.537 6.439 1.00 . A A . 2 LEU HG 1 1
10 748 1 1 2 LEU N N 3.362 4.437 3.726 1.00 . A A . 2 LEU N 1 1
10 749 1 1 2 LEU O O 5.019 3.567 6.708 1.00 . A A . 2 LEU O 1 1
10 750 1 1 3 SER C C 7.827 3.624 4.805 1.00 . A A . 3 SER C 1 1
10 751 1 1 3 SER CA C 6.834 2.468 4.931 1.00 . A A . 3 SER CA 1 1
10 752 1 1 3 SER CB C 7.252 1.331 3.999 1.00 . A A . 3 SER CB 1 1
10 753 1 1 3 SER H H 5.157 2.819 3.685 1.00 . A A . 3 SER H 1 1
10 754 1 1 3 SER HA H 6.849 2.106 5.949 1.00 . A A . 3 SER HA 1 1
10 755 1 1 3 SER HB2 H 6.397 0.987 3.443 1.00 . A A . 3 SER HB2 1 1
10 756 1 1 3 SER HB3 H 8.005 1.691 3.310 1.00 . A A . 3 SER HB3 1 1
10 757 1 1 3 SER HG H 7.938 0.584 5.659 1.00 . A A . 3 SER HG 1 1
10 758 1 1 3 SER N N 5.481 2.906 4.605 1.00 . A A . 3 SER N 1 1
10 759 1 1 3 SER O O 8.695 3.800 5.658 1.00 . A A . 3 SER O 1 1
10 760 1 1 3 SER OG O 7.772 0.257 4.771 1.00 . A A . 3 SER OG 1 1
10 761 1 1 4 LEU C C 8.104 6.791 4.217 1.00 . A A . 4 LEU C 1 1
10 762 1 1 4 LEU CA C 8.606 5.530 3.510 1.00 . A A . 4 LEU CA 1 1
10 763 1 1 4 LEU CB C 8.751 5.799 2.008 1.00 . A A . 4 LEU CB 1 1
10 764 1 1 4 LEU CD1 C 10.741 7.191 2.590 1.00 . A A . 4 LEU CD1 1 1
10 765 1 1 4 LEU CD2 C 11.042 4.808 1.900 1.00 . A A . 4 LEU CD2 1 1
10 766 1 1 4 LEU CG C 10.218 6.079 1.680 1.00 . A A . 4 LEU CG 1 1
10 767 1 1 4 LEU H H 6.997 4.216 3.079 1.00 . A A . 4 LEU H 1 1
10 768 1 1 4 LEU HA H 9.576 5.276 3.907 1.00 . A A . 4 LEU HA 1 1
10 769 1 1 4 LEU HB2 H 8.417 4.933 1.453 1.00 . A A . 4 LEU HB2 1 1
10 770 1 1 4 LEU HB3 H 8.154 6.655 1.733 1.00 . A A . 4 LEU HB3 1 1
10 771 1 1 4 LEU HD11 H 11.507 7.751 2.072 1.00 . A A . 4 LEU HD11 1 1
10 772 1 1 4 LEU HD12 H 11.158 6.756 3.486 1.00 . A A . 4 LEU HD12 1 1
10 773 1 1 4 LEU HD13 H 9.929 7.852 2.855 1.00 . A A . 4 LEU HD13 1 1
10 774 1 1 4 LEU HD21 H 11.698 4.945 2.748 1.00 . A A . 4 LEU HD21 1 1
10 775 1 1 4 LEU HD22 H 11.633 4.604 1.019 1.00 . A A . 4 LEU HD22 1 1
10 776 1 1 4 LEU HD23 H 10.380 3.976 2.089 1.00 . A A . 4 LEU HD23 1 1
10 777 1 1 4 LEU HG H 10.302 6.391 0.649 1.00 . A A . 4 LEU HG 1 1
10 778 1 1 4 LEU N N 7.701 4.404 3.732 1.00 . A A . 4 LEU N 1 1
10 779 1 1 4 LEU O O 8.895 7.547 4.781 1.00 . A A . 4 LEU O 1 1
10 780 1 1 5 CYS C C 5.557 7.801 6.156 1.00 . A A . 5 CYS C 1 1
10 781 1 1 5 CYS CA C 6.216 8.189 4.836 1.00 . A A . 5 CYS CA 1 1
10 782 1 1 5 CYS CB C 5.177 8.841 3.919 1.00 . A A . 5 CYS CB 1 1
10 783 1 1 5 CYS H H 6.204 6.384 3.728 1.00 . A A . 5 CYS H 1 1
10 784 1 1 5 CYS HA H 7.002 8.901 5.034 1.00 . A A . 5 CYS HA 1 1
10 785 1 1 5 CYS HB2 H 4.751 9.699 4.419 1.00 . A A . 5 CYS HB2 1 1
10 786 1 1 5 CYS HB3 H 5.651 9.160 3.005 1.00 . A A . 5 CYS HB3 1 1
10 787 1 1 5 CYS N N 6.792 7.014 4.188 1.00 . A A . 5 CYS N 1 1
10 788 1 1 5 CYS O O 4.407 8.154 6.413 1.00 . A A . 5 CYS O 1 1
10 789 1 1 5 CYS SG S 3.862 7.649 3.549 1.00 . A A . 5 CYS SG 1 1
10 790 1 1 6 ALA C C 5.947 7.731 9.326 1.00 . A A . 6 ALA C 1 1
10 791 1 1 6 ALA CA C 5.768 6.637 8.278 1.00 . A A . 6 ALA CA 1 1
10 792 1 1 6 ALA CB C 6.488 5.367 8.735 1.00 . A A . 6 ALA CB 1 1
10 793 1 1 6 ALA H H 7.204 6.816 6.728 1.00 . A A . 6 ALA H 1 1
10 794 1 1 6 ALA HA H 4.716 6.423 8.173 1.00 . A A . 6 ALA HA 1 1
10 795 1 1 6 ALA HB1 H 5.940 4.918 9.551 1.00 . A A . 6 ALA HB1 1 1
10 796 1 1 6 ALA HB2 H 7.485 5.618 9.067 1.00 . A A . 6 ALA HB2 1 1
10 797 1 1 6 ALA HB3 H 6.545 4.670 7.913 1.00 . A A . 6 ALA HB3 1 1
10 798 1 1 6 ALA N N 6.293 7.069 6.987 1.00 . A A . 6 ALA N 1 1
10 799 1 1 6 ALA O O 5.187 8.686 9.293 1.00 . A A . 6 ALA O 1 1
10 800 1 1 6 ALA OXT O 6.841 7.599 10.145 1.00 . A A . 6 ALA OXT 1 1
11 801 1 1 1 DAL C C 4.460 4.961 3.289 1.00 . A A . 1 DAL C 1 1
11 802 1 1 1 DAL CA C 4.413 5.600 1.909 1.00 . A A . 1 DAL CA 1 1
11 803 1 1 1 DAL CB C 4.436 7.124 2.039 1.00 . A A . 1 DAL CB 1 1
11 804 1 1 1 DAL H2 H 5.615 5.668 0.211 1.00 . A A . 1 DAL H2 1 1
11 805 1 1 1 DAL H3 H 5.528 4.135 0.938 1.00 . A A . 1 DAL H3 1 1
11 806 1 1 1 DAL HA H 3.508 5.297 1.404 1.00 . A A . 1 DAL HA 1 1
11 807 1 1 1 DAL HB1 H 3.769 7.553 1.308 1.00 . A A . 1 DAL HB1 1 1
11 808 1 1 1 DAL HB2 H 5.439 7.481 1.864 1.00 . A A . 1 DAL HB2 1 1
11 809 1 1 1 DAL N N 5.594 5.156 1.117 1.00 . A A . 1 DAL N 1 1
11 810 1 1 1 DAL O O 5.483 5.018 3.973 1.00 . A A . 1 DAL O 1 1
11 811 1 1 2 LEU C C 4.638 3.360 5.517 1.00 . A A . 2 LEU C 1 1
11 812 1 1 2 LEU CA C 3.251 3.717 4.997 1.00 . A A . 2 LEU CA 1 1
11 813 1 1 2 LEU CB C 2.403 2.448 4.886 1.00 . A A . 2 LEU CB 1 1
11 814 1 1 2 LEU CD1 C 2.534 2.285 7.376 1.00 . A A . 2 LEU CD1 1 1
11 815 1 1 2 LEU CD2 C 0.562 3.383 6.297 1.00 . A A . 2 LEU CD2 1 1
11 816 1 1 2 LEU CG C 1.593 2.256 6.170 1.00 . A A . 2 LEU CG 1 1
11 817 1 1 2 LEU H H 2.563 4.365 3.098 1.00 . A A . 2 LEU H 1 1
11 818 1 1 2 LEU HA H 2.777 4.394 5.692 1.00 . A A . 2 LEU HA 1 1
11 819 1 1 2 LEU HB2 H 1.728 2.539 4.046 1.00 . A A . 2 LEU HB2 1 1
11 820 1 1 2 LEU HB3 H 3.048 1.596 4.739 1.00 . A A . 2 LEU HB3 1 1
11 821 1 1 2 LEU HD11 H 2.077 1.761 8.202 1.00 . A A . 2 LEU HD11 1 1
11 822 1 1 2 LEU HD12 H 2.722 3.310 7.662 1.00 . A A . 2 LEU HD12 1 1
11 823 1 1 2 LEU HD13 H 3.466 1.806 7.116 1.00 . A A . 2 LEU HD13 1 1
11 824 1 1 2 LEU HD21 H -0.425 2.957 6.391 1.00 . A A . 2 LEU HD21 1 1
11 825 1 1 2 LEU HD22 H 0.600 4.008 5.417 1.00 . A A . 2 LEU HD22 1 1
11 826 1 1 2 LEU HD23 H 0.783 3.979 7.170 1.00 . A A . 2 LEU HD23 1 1
11 827 1 1 2 LEU HG H 1.085 1.303 6.134 1.00 . A A . 2 LEU HG 1 1
11 828 1 1 2 LEU N N 3.342 4.365 3.691 1.00 . A A . 2 LEU N 1 1
11 829 1 1 2 LEU O O 4.933 3.534 6.700 1.00 . A A . 2 LEU O 1 1
11 830 1 1 3 SER C C 7.829 3.627 4.812 1.00 . A A . 3 SER C 1 1
11 831 1 1 3 SER CA C 6.839 2.472 5.003 1.00 . A A . 3 SER CA 1 1
11 832 1 1 3 SER CB C 7.289 1.277 4.163 1.00 . A A . 3 SER CB 1 1
11 833 1 1 3 SER H H 5.186 2.734 3.699 1.00 . A A . 3 SER H 1 1
11 834 1 1 3 SER HA H 6.841 2.183 6.042 1.00 . A A . 3 SER HA 1 1
11 835 1 1 3 SER HB2 H 7.696 0.515 4.808 1.00 . A A . 3 SER HB2 1 1
11 836 1 1 3 SER HB3 H 6.440 0.875 3.627 1.00 . A A . 3 SER HB3 1 1
11 837 1 1 3 SER HG H 8.821 2.373 3.677 1.00 . A A . 3 SER HG 1 1
11 838 1 1 3 SER N N 5.483 2.857 4.626 1.00 . A A . 3 SER N 1 1
11 839 1 1 3 SER O O 8.752 3.794 5.609 1.00 . A A . 3 SER O 1 1
11 840 1 1 3 SER OG O 8.292 1.697 3.247 1.00 . A A . 3 SER OG 1 1
11 841 1 1 4 LEU C C 8.115 6.806 4.172 1.00 . A A . 4 LEU C 1 1
11 842 1 1 4 LEU CA C 8.559 5.520 3.470 1.00 . A A . 4 LEU CA 1 1
11 843 1 1 4 LEU CB C 8.643 5.762 1.959 1.00 . A A . 4 LEU CB 1 1
11 844 1 1 4 LEU CD1 C 10.535 7.347 2.360 1.00 . A A . 4 LEU CD1 1 1
11 845 1 1 4 LEU CD2 C 11.002 4.936 1.898 1.00 . A A . 4 LEU CD2 1 1
11 846 1 1 4 LEU CG C 10.081 6.116 1.574 1.00 . A A . 4 LEU CG 1 1
11 847 1 1 4 LEU H H 6.913 4.230 3.130 1.00 . A A . 4 LEU H 1 1
11 848 1 1 4 LEU HA H 9.542 5.257 3.830 1.00 . A A . 4 LEU HA 1 1
11 849 1 1 4 LEU HB2 H 8.344 4.865 1.435 1.00 . A A . 4 LEU HB2 1 1
11 850 1 1 4 LEU HB3 H 7.990 6.575 1.686 1.00 . A A . 4 LEU HB3 1 1
11 851 1 1 4 LEU HD11 H 9.770 8.108 2.310 1.00 . A A . 4 LEU HD11 1 1
11 852 1 1 4 LEU HD12 H 11.450 7.729 1.934 1.00 . A A . 4 LEU HD12 1 1
11 853 1 1 4 LEU HD13 H 10.705 7.075 3.391 1.00 . A A . 4 LEU HD13 1 1
11 854 1 1 4 LEU HD21 H 10.408 4.046 2.041 1.00 . A A . 4 LEU HD21 1 1
11 855 1 1 4 LEU HD22 H 11.556 5.149 2.800 1.00 . A A . 4 LEU HD22 1 1
11 856 1 1 4 LEU HD23 H 11.689 4.782 1.079 1.00 . A A . 4 LEU HD23 1 1
11 857 1 1 4 LEU HG H 10.127 6.330 0.516 1.00 . A A . 4 LEU HG 1 1
11 858 1 1 4 LEU N N 7.652 4.409 3.746 1.00 . A A . 4 LEU N 1 1
11 859 1 1 4 LEU O O 8.946 7.542 4.702 1.00 . A A . 4 LEU O 1 1
11 860 1 1 5 CYS C C 5.841 7.982 6.241 1.00 . A A . 5 CYS C 1 1
11 861 1 1 5 CYS CA C 6.306 8.287 4.821 1.00 . A A . 5 CYS CA 1 1
11 862 1 1 5 CYS CB C 5.147 8.881 4.014 1.00 . A A . 5 CYS CB 1 1
11 863 1 1 5 CYS H H 6.183 6.463 3.741 1.00 . A A . 5 CYS H 1 1
11 864 1 1 5 CYS HA H 7.103 9.014 4.866 1.00 . A A . 5 CYS HA 1 1
11 865 1 1 5 CYS HB2 H 4.700 9.689 4.574 1.00 . A A . 5 CYS HB2 1 1
11 866 1 1 5 CYS HB3 H 5.518 9.262 3.075 1.00 . A A . 5 CYS HB3 1 1
11 867 1 1 5 CYS N N 6.811 7.077 4.175 1.00 . A A . 5 CYS N 1 1
11 868 1 1 5 CYS O O 4.681 7.636 6.465 1.00 . A A . 5 CYS O 1 1
11 869 1 1 5 CYS SG S 3.897 7.606 3.703 1.00 . A A . 5 CYS SG 1 1
11 870 1 1 6 ALA C C 7.075 8.904 9.491 1.00 . A A . 6 ALA C 1 1
11 871 1 1 6 ALA CA C 6.435 7.851 8.592 1.00 . A A . 6 ALA CA 1 1
11 872 1 1 6 ALA CB C 6.937 6.462 8.991 1.00 . A A . 6 ALA CB 1 1
11 873 1 1 6 ALA H H 7.665 8.393 6.954 1.00 . A A . 6 ALA H 1 1
11 874 1 1 6 ALA HA H 5.364 7.885 8.719 1.00 . A A . 6 ALA HA 1 1
11 875 1 1 6 ALA HB1 H 7.575 6.543 9.860 1.00 . A A . 6 ALA HB1 1 1
11 876 1 1 6 ALA HB2 H 7.497 6.033 8.174 1.00 . A A . 6 ALA HB2 1 1
11 877 1 1 6 ALA HB3 H 6.094 5.829 9.222 1.00 . A A . 6 ALA HB3 1 1
11 878 1 1 6 ALA N N 6.757 8.114 7.195 1.00 . A A . 6 ALA N 1 1
11 879 1 1 6 ALA O O 8.196 8.688 9.921 1.00 . A A . 6 ALA O 1 1
11 880 1 1 6 ALA OXT O 6.435 9.914 9.737 1.00 . A A . 6 ALA OXT 1 1
12 881 1 1 1 DAL C C 4.488 4.988 3.271 1.00 . A A . 1 DAL C 1 1
12 882 1 1 1 DAL CA C 4.420 5.581 1.871 1.00 . A A . 1 DAL CA 1 1
12 883 1 1 1 DAL CB C 4.441 7.108 1.949 1.00 . A A . 1 DAL CB 1 1
12 884 1 1 1 DAL H2 H 6.290 4.678 1.715 1.00 . A A . 1 DAL H2 1 1
12 885 1 1 1 DAL H3 H 6.022 5.917 0.583 1.00 . A A . 1 DAL H3 1 1
12 886 1 1 1 DAL HA H 3.508 5.259 1.389 1.00 . A A . 1 DAL HA 1 1
12 887 1 1 1 DAL HB1 H 3.794 7.511 1.184 1.00 . A A . 1 DAL HB1 1 1
12 888 1 1 1 DAL HB2 H 5.448 7.459 1.789 1.00 . A A . 1 DAL HB2 1 1
12 889 1 1 1 DAL N N 5.590 5.111 1.077 1.00 . A A . 1 DAL N 1 1
12 890 1 1 1 DAL O O 5.528 5.040 3.926 1.00 . A A . 1 DAL O 1 1
12 891 1 1 2 LEU C C 4.687 3.418 5.528 1.00 . A A . 2 LEU C 1 1
12 892 1 1 2 LEU CA C 3.297 3.831 5.051 1.00 . A A . 2 LEU CA 1 1
12 893 1 1 2 LEU CB C 2.379 2.604 5.020 1.00 . A A . 2 LEU CB 1 1
12 894 1 1 2 LEU CD1 C 1.804 3.071 7.407 1.00 . A A . 2 LEU CD1 1 1
12 895 1 1 2 LEU CD2 C 0.363 3.971 5.576 1.00 . A A . 2 LEU CD2 1 1
12 896 1 1 2 LEU CG C 1.233 2.791 6.015 1.00 . A A . 2 LEU CG 1 1
12 897 1 1 2 LEU H H 2.573 4.430 3.150 1.00 . A A . 2 LEU H 1 1
12 898 1 1 2 LEU HA H 2.891 4.554 5.742 1.00 . A A . 2 LEU HA 1 1
12 899 1 1 2 LEU HB2 H 1.976 2.483 4.025 1.00 . A A . 2 LEU HB2 1 1
12 900 1 1 2 LEU HB3 H 2.944 1.723 5.287 1.00 . A A . 2 LEU HB3 1 1
12 901 1 1 2 LEU HD11 H 1.759 4.132 7.607 1.00 . A A . 2 LEU HD11 1 1
12 902 1 1 2 LEU HD12 H 2.831 2.741 7.447 1.00 . A A . 2 LEU HD12 1 1
12 903 1 1 2 LEU HD13 H 1.225 2.540 8.148 1.00 . A A . 2 LEU HD13 1 1
12 904 1 1 2 LEU HD21 H -0.571 3.601 5.178 1.00 . A A . 2 LEU HD21 1 1
12 905 1 1 2 LEU HD22 H 0.880 4.535 4.814 1.00 . A A . 2 LEU HD22 1 1
12 906 1 1 2 LEU HD23 H 0.165 4.608 6.425 1.00 . A A . 2 LEU HD23 1 1
12 907 1 1 2 LEU HG H 0.634 1.892 6.048 1.00 . A A . 2 LEU HG 1 1
12 908 1 1 2 LEU N N 3.368 4.432 3.722 1.00 . A A . 2 LEU N 1 1
12 909 1 1 2 LEU O O 5.026 3.580 6.701 1.00 . A A . 2 LEU O 1 1
12 910 1 1 3 SER C C 7.828 3.617 4.811 1.00 . A A . 3 SER C 1 1
12 911 1 1 3 SER CA C 6.841 2.458 4.943 1.00 . A A . 3 SER CA 1 1
12 912 1 1 3 SER CB C 7.268 1.315 4.021 1.00 . A A . 3 SER CB 1 1
12 913 1 1 3 SER H H 5.162 2.784 3.690 1.00 . A A . 3 SER H 1 1
12 914 1 1 3 SER HA H 6.853 2.103 5.963 1.00 . A A . 3 SER HA 1 1
12 915 1 1 3 SER HB2 H 7.294 0.393 4.576 1.00 . A A . 3 SER HB2 1 1
12 916 1 1 3 SER HB3 H 6.557 1.224 3.211 1.00 . A A . 3 SER HB3 1 1
12 917 1 1 3 SER HG H 9.197 1.478 4.218 1.00 . A A . 3 SER HG 1 1
12 918 1 1 3 SER N N 5.488 2.888 4.609 1.00 . A A . 3 SER N 1 1
12 919 1 1 3 SER O O 8.699 3.800 5.662 1.00 . A A . 3 SER O 1 1
12 920 1 1 3 SER OG O 8.563 1.588 3.505 1.00 . A A . 3 SER OG 1 1
12 921 1 1 4 LEU C C 8.093 6.769 4.244 1.00 . A A . 4 LEU C 1 1
12 922 1 1 4 LEU CA C 8.586 5.523 3.509 1.00 . A A . 4 LEU CA 1 1
12 923 1 1 4 LEU CB C 8.685 5.816 2.011 1.00 . A A . 4 LEU CB 1 1
12 924 1 1 4 LEU CD1 C 9.062 4.807 -0.244 1.00 . A A . 4 LEU CD1 1 1
12 925 1 1 4 LEU CD2 C 10.263 3.898 1.750 1.00 . A A . 4 LEU CD2 1 1
12 926 1 1 4 LEU CG C 8.952 4.514 1.254 1.00 . A A . 4 LEU CG 1 1
12 927 1 1 4 LEU H H 6.985 4.199 3.090 1.00 . A A . 4 LEU H 1 1
12 928 1 1 4 LEU HA H 9.568 5.271 3.878 1.00 . A A . 4 LEU HA 1 1
12 929 1 1 4 LEU HB2 H 7.759 6.251 1.665 1.00 . A A . 4 LEU HB2 1 1
12 930 1 1 4 LEU HB3 H 9.496 6.506 1.831 1.00 . A A . 4 LEU HB3 1 1
12 931 1 1 4 LEU HD11 H 8.517 4.056 -0.797 1.00 . A A . 4 LEU HD11 1 1
12 932 1 1 4 LEU HD12 H 10.100 4.790 -0.539 1.00 . A A . 4 LEU HD12 1 1
12 933 1 1 4 LEU HD13 H 8.644 5.781 -0.451 1.00 . A A . 4 LEU HD13 1 1
12 934 1 1 4 LEU HD21 H 10.091 3.391 2.688 1.00 . A A . 4 LEU HD21 1 1
12 935 1 1 4 LEU HD22 H 10.997 4.679 1.891 1.00 . A A . 4 LEU HD22 1 1
12 936 1 1 4 LEU HD23 H 10.627 3.191 1.018 1.00 . A A . 4 LEU HD23 1 1
12 937 1 1 4 LEU HG H 8.139 3.824 1.428 1.00 . A A . 4 LEU HG 1 1
12 938 1 1 4 LEU N N 7.692 4.392 3.739 1.00 . A A . 4 LEU N 1 1
12 939 1 1 4 LEU O O 8.878 7.474 4.877 1.00 . A A . 4 LEU O 1 1
12 940 1 1 5 CYS C C 5.614 7.810 6.167 1.00 . A A . 5 CYS C 1 1
12 941 1 1 5 CYS CA C 6.224 8.205 4.826 1.00 . A A . 5 CYS CA 1 1
12 942 1 1 5 CYS CB C 5.152 8.853 3.945 1.00 . A A . 5 CYS CB 1 1
12 943 1 1 5 CYS H H 6.207 6.444 3.642 1.00 . A A . 5 CYS H 1 1
12 944 1 1 5 CYS HA H 7.010 8.923 4.999 1.00 . A A . 5 CYS HA 1 1
12 945 1 1 5 CYS HB2 H 4.720 9.692 4.469 1.00 . A A . 5 CYS HB2 1 1
12 946 1 1 5 CYS HB3 H 5.598 9.198 3.025 1.00 . A A . 5 CYS HB3 1 1
12 947 1 1 5 CYS N N 6.792 7.037 4.159 1.00 . A A . 5 CYS N 1 1
12 948 1 1 5 CYS O O 4.433 8.054 6.418 1.00 . A A . 5 CYS O 1 1
12 949 1 1 5 CYS SG S 3.851 7.644 3.579 1.00 . A A . 5 CYS SG 1 1
12 950 1 1 6 ALA C C 5.651 7.985 9.214 1.00 . A A . 6 ALA C 1 1
12 951 1 1 6 ALA CA C 5.957 6.775 8.336 1.00 . A A . 6 ALA CA 1 1
12 952 1 1 6 ALA CB C 7.018 5.907 9.015 1.00 . A A . 6 ALA CB 1 1
12 953 1 1 6 ALA H H 7.357 7.032 6.767 1.00 . A A . 6 ALA H 1 1
12 954 1 1 6 ALA HA H 5.056 6.193 8.216 1.00 . A A . 6 ALA HA 1 1
12 955 1 1 6 ALA HB1 H 6.543 5.247 9.726 1.00 . A A . 6 ALA HB1 1 1
12 956 1 1 6 ALA HB2 H 7.726 6.541 9.529 1.00 . A A . 6 ALA HB2 1 1
12 957 1 1 6 ALA HB3 H 7.534 5.322 8.269 1.00 . A A . 6 ALA HB3 1 1
12 958 1 1 6 ALA N N 6.426 7.200 7.023 1.00 . A A . 6 ALA N 1 1
12 959 1 1 6 ALA O O 5.477 7.798 10.406 1.00 . A A . 6 ALA O 1 1
12 960 1 1 6 ALA OXT O 5.593 9.080 8.678 1.00 . A A . 6 ALA OXT 1 1
13 961 1 1 1 DAL C C 4.224 5.189 3.336 1.00 . A A . 1 DAL C 1 1
13 962 1 1 1 DAL CA C 4.189 6.022 2.062 1.00 . A A . 1 DAL CA 1 1
13 963 1 1 1 DAL CB C 3.544 7.381 2.348 1.00 . A A . 1 DAL CB 1 1
13 964 1 1 1 DAL H2 H 5.756 5.610 0.754 1.00 . A A . 1 DAL H2 1 1
13 965 1 1 1 DAL H3 H 6.253 6.001 2.331 1.00 . A A . 1 DAL H3 1 1
13 966 1 1 1 DAL HA H 3.615 5.504 1.307 1.00 . A A . 1 DAL HA 1 1
13 967 1 1 1 DAL HB1 H 2.915 7.304 3.221 1.00 . A A . 1 DAL HB1 1 1
13 968 1 1 1 DAL HB2 H 2.946 7.683 1.499 1.00 . A A . 1 DAL HB2 1 1
13 969 1 1 1 DAL N N 5.581 6.230 1.572 1.00 . A A . 1 DAL N 1 1
13 970 1 1 1 DAL O O 5.017 5.457 4.237 1.00 . A A . 1 DAL O 1 1
13 971 1 1 2 LEU C C 4.594 3.373 5.371 1.00 . A A . 2 LEU C 1 1
13 972 1 1 2 LEU CA C 3.289 3.314 4.576 1.00 . A A . 2 LEU CA 1 1
13 973 1 1 2 LEU CB C 3.001 1.871 4.146 1.00 . A A . 2 LEU CB 1 1
13 974 1 1 2 LEU CD1 C 1.192 0.199 3.748 1.00 . A A . 2 LEU CD1 1 1
13 975 1 1 2 LEU CD2 C 1.240 1.501 5.880 1.00 . A A . 2 LEU CD2 1 1
13 976 1 1 2 LEU CG C 1.524 1.553 4.377 1.00 . A A . 2 LEU CG 1 1
13 977 1 1 2 LEU H H 2.749 4.020 2.651 1.00 . A A . 2 LEU H 1 1
13 978 1 1 2 LEU HA H 2.483 3.653 5.209 1.00 . A A . 2 LEU HA 1 1
13 979 1 1 2 LEU HB2 H 3.232 1.754 3.097 1.00 . A A . 2 LEU HB2 1 1
13 980 1 1 2 LEU HB3 H 3.604 1.193 4.729 1.00 . A A . 2 LEU HB3 1 1
13 981 1 1 2 LEU HD11 H 1.759 -0.575 4.242 1.00 . A A . 2 LEU HD11 1 1
13 982 1 1 2 LEU HD12 H 1.446 0.217 2.698 1.00 . A A . 2 LEU HD12 1 1
13 983 1 1 2 LEU HD13 H 0.136 0.000 3.860 1.00 . A A . 2 LEU HD13 1 1
13 984 1 1 2 LEU HD21 H 0.616 2.337 6.158 1.00 . A A . 2 LEU HD21 1 1
13 985 1 1 2 LEU HD22 H 2.171 1.550 6.426 1.00 . A A . 2 LEU HD22 1 1
13 986 1 1 2 LEU HD23 H 0.732 0.577 6.119 1.00 . A A . 2 LEU HD23 1 1
13 987 1 1 2 LEU HG H 0.916 2.321 3.920 1.00 . A A . 2 LEU HG 1 1
13 988 1 1 2 LEU N N 3.358 4.180 3.402 1.00 . A A . 2 LEU N 1 1
13 989 1 1 2 LEU O O 4.648 3.992 6.433 1.00 . A A . 2 LEU O 1 1
13 990 1 1 3 SER C C 7.896 3.767 4.997 1.00 . A A . 3 SER C 1 1
13 991 1 1 3 SER CA C 6.925 2.718 5.555 1.00 . A A . 3 SER CA 1 1
13 992 1 1 3 SER CB C 7.558 1.332 5.436 1.00 . A A . 3 SER CB 1 1
13 993 1 1 3 SER H H 5.545 2.237 4.016 1.00 . A A . 3 SER H 1 1
13 994 1 1 3 SER HA H 6.755 2.925 6.601 1.00 . A A . 3 SER HA 1 1
13 995 1 1 3 SER HB2 H 6.923 0.604 5.911 1.00 . A A . 3 SER HB2 1 1
13 996 1 1 3 SER HB3 H 7.671 1.079 4.390 1.00 . A A . 3 SER HB3 1 1
13 997 1 1 3 SER HG H 8.711 1.685 6.964 1.00 . A A . 3 SER HG 1 1
13 998 1 1 3 SER N N 5.640 2.727 4.862 1.00 . A A . 3 SER N 1 1
13 999 1 1 3 SER O O 8.925 4.044 5.614 1.00 . A A . 3 SER O 1 1
13 1000 1 1 3 SER OG O 8.827 1.337 6.077 1.00 . A A . 3 SER OG 1 1
13 1001 1 1 4 LEU C C 8.052 6.757 3.610 1.00 . A A . 4 LEU C 1 1
13 1002 1 1 4 LEU CA C 8.471 5.337 3.236 1.00 . A A . 4 LEU CA 1 1
13 1003 1 1 4 LEU CB C 8.462 5.188 1.712 1.00 . A A . 4 LEU CB 1 1
13 1004 1 1 4 LEU CD1 C 8.675 2.711 1.392 1.00 . A A . 4 LEU CD1 1 1
13 1005 1 1 4 LEU CD2 C 9.848 4.280 -0.156 1.00 . A A . 4 LEU CD2 1 1
13 1006 1 1 4 LEU CG C 9.404 4.054 1.289 1.00 . A A . 4 LEU CG 1 1
13 1007 1 1 4 LEU H H 6.765 4.093 3.368 1.00 . A A . 4 LEU H 1 1
13 1008 1 1 4 LEU HA H 9.475 5.168 3.594 1.00 . A A . 4 LEU HA 1 1
13 1009 1 1 4 LEU HB2 H 7.459 4.963 1.380 1.00 . A A . 4 LEU HB2 1 1
13 1010 1 1 4 LEU HB3 H 8.790 6.112 1.260 1.00 . A A . 4 LEU HB3 1 1
13 1011 1 1 4 LEU HD11 H 9.277 1.939 0.935 1.00 . A A . 4 LEU HD11 1 1
13 1012 1 1 4 LEU HD12 H 7.725 2.777 0.883 1.00 . A A . 4 LEU HD12 1 1
13 1013 1 1 4 LEU HD13 H 8.511 2.470 2.431 1.00 . A A . 4 LEU HD13 1 1
13 1014 1 1 4 LEU HD21 H 10.477 5.157 -0.206 1.00 . A A . 4 LEU HD21 1 1
13 1015 1 1 4 LEU HD22 H 8.980 4.423 -0.782 1.00 . A A . 4 LEU HD22 1 1
13 1016 1 1 4 LEU HD23 H 10.403 3.420 -0.502 1.00 . A A . 4 LEU HD23 1 1
13 1017 1 1 4 LEU HG H 10.270 4.042 1.933 1.00 . A A . 4 LEU HG 1 1
13 1018 1 1 4 LEU N N 7.586 4.342 3.835 1.00 . A A . 4 LEU N 1 1
13 1019 1 1 4 LEU O O 8.713 7.722 3.229 1.00 . A A . 4 LEU O 1 1
13 1020 1 1 5 CYS C C 6.702 8.401 6.270 1.00 . A A . 5 CYS C 1 1
13 1021 1 1 5 CYS CA C 6.493 8.206 4.772 1.00 . A A . 5 CYS CA 1 1
13 1022 1 1 5 CYS CB C 5.011 8.377 4.428 1.00 . A A . 5 CYS CB 1 1
13 1023 1 1 5 CYS H H 6.470 6.088 4.644 1.00 . A A . 5 CYS H 1 1
13 1024 1 1 5 CYS HA H 7.060 8.955 4.241 1.00 . A A . 5 CYS HA 1 1
13 1025 1 1 5 CYS HB2 H 4.465 7.499 4.734 1.00 . A A . 5 CYS HB2 1 1
13 1026 1 1 5 CYS HB3 H 4.618 9.240 4.943 1.00 . A A . 5 CYS HB3 1 1
13 1027 1 1 5 CYS N N 6.962 6.886 4.360 1.00 . A A . 5 CYS N 1 1
13 1028 1 1 5 CYS O O 5.748 8.613 7.019 1.00 . A A . 5 CYS O 1 1
13 1029 1 1 5 CYS SG S 4.837 8.616 2.640 1.00 . A A . 5 CYS SG 1 1
13 1030 1 1 6 ALA C C 9.624 9.233 8.254 1.00 . A A . 6 ALA C 1 1
13 1031 1 1 6 ALA CA C 8.294 8.499 8.106 1.00 . A A . 6 ALA CA 1 1
13 1032 1 1 6 ALA CB C 8.386 7.133 8.790 1.00 . A A . 6 ALA CB 1 1
13 1033 1 1 6 ALA H H 8.677 8.159 6.051 1.00 . A A . 6 ALA H 1 1
13 1034 1 1 6 ALA HA H 7.518 9.078 8.585 1.00 . A A . 6 ALA HA 1 1
13 1035 1 1 6 ALA HB1 H 9.199 7.140 9.501 1.00 . A A . 6 ALA HB1 1 1
13 1036 1 1 6 ALA HB2 H 8.565 6.370 8.047 1.00 . A A . 6 ALA HB2 1 1
13 1037 1 1 6 ALA HB3 H 7.459 6.923 9.304 1.00 . A A . 6 ALA HB3 1 1
13 1038 1 1 6 ALA N N 7.961 8.331 6.696 1.00 . A A . 6 ALA N 1 1
13 1039 1 1 6 ALA O O 10.650 8.600 8.067 1.00 . A A . 6 ALA O 1 1
13 1040 1 1 6 ALA OXT O 9.597 10.416 8.548 1.00 . A A . 6 ALA OXT 1 1
14 1041 1 1 1 DAL C C 4.445 5.048 3.383 1.00 . A A . 1 DAL C 1 1
14 1042 1 1 1 DAL CA C 4.436 5.683 1.997 1.00 . A A . 1 DAL CA 1 1
14 1043 1 1 1 DAL CB C 3.653 6.997 2.032 1.00 . A A . 1 DAL CB 1 1
14 1044 1 1 1 DAL H2 H 5.886 6.888 1.115 1.00 . A A . 1 DAL H2 1 1
14 1045 1 1 1 DAL H3 H 6.136 5.223 0.887 1.00 . A A . 1 DAL H3 1 1
14 1046 1 1 1 DAL HA H 3.969 5.007 1.297 1.00 . A A . 1 DAL HA 1 1
14 1047 1 1 1 DAL HB1 H 2.906 6.948 2.808 1.00 . A A . 1 DAL HB1 1 1
14 1048 1 1 1 DAL HB2 H 3.172 7.152 1.077 1.00 . A A . 1 DAL HB2 1 1
14 1049 1 1 1 DAL N N 5.837 5.952 1.566 1.00 . A A . 1 DAL N 1 1
14 1050 1 1 1 DAL O O 5.433 5.143 4.111 1.00 . A A . 1 DAL O 1 1
14 1051 1 1 2 LEU C C 4.620 3.328 5.534 1.00 . A A . 2 LEU C 1 1
14 1052 1 1 2 LEU CA C 3.239 3.752 5.044 1.00 . A A . 2 LEU CA 1 1
14 1053 1 1 2 LEU CB C 2.330 2.525 4.946 1.00 . A A . 2 LEU CB 1 1
14 1054 1 1 2 LEU CD1 C 2.034 2.545 7.426 1.00 . A A . 2 LEU CD1 1 1
14 1055 1 1 2 LEU CD2 C 0.455 3.822 5.970 1.00 . A A . 2 LEU CD2 1 1
14 1056 1 1 2 LEU CG C 1.305 2.554 6.081 1.00 . A A . 2 LEU CG 1 1
14 1057 1 1 2 LEU H H 2.586 4.355 3.119 1.00 . A A . 2 LEU H 1 1
14 1058 1 1 2 LEU HA H 2.814 4.449 5.750 1.00 . A A . 2 LEU HA 1 1
14 1059 1 1 2 LEU HB2 H 1.815 2.535 3.996 1.00 . A A . 2 LEU HB2 1 1
14 1060 1 1 2 LEU HB3 H 2.925 1.628 5.024 1.00 . A A . 2 LEU HB3 1 1
14 1061 1 1 2 LEU HD11 H 1.467 1.965 8.139 1.00 . A A . 2 LEU HD11 1 1
14 1062 1 1 2 LEU HD12 H 2.137 3.559 7.787 1.00 . A A . 2 LEU HD12 1 1
14 1063 1 1 2 LEU HD13 H 3.013 2.107 7.302 1.00 . A A . 2 LEU HD13 1 1
14 1064 1 1 2 LEU HD21 H 0.698 4.493 6.781 1.00 . A A . 2 LEU HD21 1 1
14 1065 1 1 2 LEU HD22 H -0.591 3.559 6.022 1.00 . A A . 2 LEU HD22 1 1
14 1066 1 1 2 LEU HD23 H 0.656 4.309 5.027 1.00 . A A . 2 LEU HD23 1 1
14 1067 1 1 2 LEU HG H 0.669 1.683 6.013 1.00 . A A . 2 LEU HG 1 1
14 1068 1 1 2 LEU N N 3.342 4.400 3.741 1.00 . A A . 2 LEU N 1 1
14 1069 1 1 2 LEU O O 4.902 3.359 6.732 1.00 . A A . 2 LEU O 1 1
14 1070 1 1 3 SER C C 7.816 3.660 4.836 1.00 . A A . 3 SER C 1 1
14 1071 1 1 3 SER CA C 6.826 2.501 4.937 1.00 . A A . 3 SER CA 1 1
14 1072 1 1 3 SER CB C 7.263 1.374 4.000 1.00 . A A . 3 SER CB 1 1
14 1073 1 1 3 SER H H 5.189 2.928 3.659 1.00 . A A . 3 SER H 1 1
14 1074 1 1 3 SER HA H 6.829 2.128 5.950 1.00 . A A . 3 SER HA 1 1
14 1075 1 1 3 SER HB2 H 8.162 0.918 4.376 1.00 . A A . 3 SER HB2 1 1
14 1076 1 1 3 SER HB3 H 6.480 0.629 3.945 1.00 . A A . 3 SER HB3 1 1
14 1077 1 1 3 SER HG H 6.837 1.583 2.113 1.00 . A A . 3 SER HG 1 1
14 1078 1 1 3 SER N N 5.474 2.932 4.597 1.00 . A A . 3 SER N 1 1
14 1079 1 1 3 SER O O 8.615 3.884 5.746 1.00 . A A . 3 SER O 1 1
14 1080 1 1 3 SER OG O 7.515 1.910 2.708 1.00 . A A . 3 SER OG 1 1
14 1081 1 1 4 LEU C C 8.132 6.775 4.195 1.00 . A A . 4 LEU C 1 1
14 1082 1 1 4 LEU CA C 8.677 5.517 3.525 1.00 . A A . 4 LEU CA 1 1
14 1083 1 1 4 LEU CB C 8.875 5.769 2.023 1.00 . A A . 4 LEU CB 1 1
14 1084 1 1 4 LEU CD1 C 10.681 6.071 0.320 1.00 . A A . 4 LEU CD1 1 1
14 1085 1 1 4 LEU CD2 C 10.219 7.883 1.974 1.00 . A A . 4 LEU CD2 1 1
14 1086 1 1 4 LEU CG C 10.265 6.366 1.762 1.00 . A A . 4 LEU CG 1 1
14 1087 1 1 4 LEU H H 7.116 4.170 3.026 1.00 . A A . 4 LEU H 1 1
14 1088 1 1 4 LEU HA H 9.629 5.272 3.969 1.00 . A A . 4 LEU HA 1 1
14 1089 1 1 4 LEU HB2 H 8.783 4.834 1.489 1.00 . A A . 4 LEU HB2 1 1
14 1090 1 1 4 LEU HB3 H 8.121 6.457 1.673 1.00 . A A . 4 LEU HB3 1 1
14 1091 1 1 4 LEU HD11 H 11.211 5.132 0.284 1.00 . A A . 4 LEU HD11 1 1
14 1092 1 1 4 LEU HD12 H 11.323 6.861 -0.039 1.00 . A A . 4 LEU HD12 1 1
14 1093 1 1 4 LEU HD13 H 9.800 6.013 -0.304 1.00 . A A . 4 LEU HD13 1 1
14 1094 1 1 4 LEU HD21 H 10.104 8.375 1.019 1.00 . A A . 4 LEU HD21 1 1
14 1095 1 1 4 LEU HD22 H 11.138 8.208 2.438 1.00 . A A . 4 LEU HD22 1 1
14 1096 1 1 4 LEU HD23 H 9.385 8.133 2.610 1.00 . A A . 4 LEU HD23 1 1
14 1097 1 1 4 LEU HG H 10.984 5.927 2.436 1.00 . A A . 4 LEU HG 1 1
14 1098 1 1 4 LEU N N 7.768 4.392 3.724 1.00 . A A . 4 LEU N 1 1
14 1099 1 1 4 LEU O O 8.885 7.549 4.787 1.00 . A A . 4 LEU O 1 1
14 1100 1 1 5 CYS C C 6.168 8.026 6.217 1.00 . A A . 5 CYS C 1 1
14 1101 1 1 5 CYS CA C 6.189 8.144 4.697 1.00 . A A . 5 CYS CA 1 1
14 1102 1 1 5 CYS CB C 4.759 8.283 4.174 1.00 . A A . 5 CYS CB 1 1
14 1103 1 1 5 CYS H H 6.269 6.329 3.613 1.00 . A A . 5 CYS H 1 1
14 1104 1 1 5 CYS HA H 6.748 9.026 4.422 1.00 . A A . 5 CYS HA 1 1
14 1105 1 1 5 CYS HB2 H 4.180 7.428 4.488 1.00 . A A . 5 CYS HB2 1 1
14 1106 1 1 5 CYS HB3 H 4.316 9.184 4.572 1.00 . A A . 5 CYS HB3 1 1
14 1107 1 1 5 CYS N N 6.821 6.977 4.098 1.00 . A A . 5 CYS N 1 1
14 1108 1 1 5 CYS O O 5.467 8.777 6.897 1.00 . A A . 5 CYS O 1 1
14 1109 1 1 5 CYS SG S 4.787 8.370 2.364 1.00 . A A . 5 CYS SG 1 1
14 1110 1 1 6 ALA C C 7.999 7.830 8.824 1.00 . A A . 6 ALA C 1 1
14 1111 1 1 6 ALA CA C 6.995 6.875 8.188 1.00 . A A . 6 ALA CA 1 1
14 1112 1 1 6 ALA CB C 7.394 5.430 8.498 1.00 . A A . 6 ALA CB 1 1
14 1113 1 1 6 ALA H H 7.474 6.510 6.156 1.00 . A A . 6 ALA H 1 1
14 1114 1 1 6 ALA HA H 6.018 7.064 8.608 1.00 . A A . 6 ALA HA 1 1
14 1115 1 1 6 ALA HB1 H 6.927 4.767 7.786 1.00 . A A . 6 ALA HB1 1 1
14 1116 1 1 6 ALA HB2 H 7.068 5.173 9.495 1.00 . A A . 6 ALA HB2 1 1
14 1117 1 1 6 ALA HB3 H 8.467 5.331 8.432 1.00 . A A . 6 ALA HB3 1 1
14 1118 1 1 6 ALA N N 6.937 7.079 6.745 1.00 . A A . 6 ALA N 1 1
14 1119 1 1 6 ALA O O 8.493 7.514 9.894 1.00 . A A . 6 ALA O 1 1
14 1120 1 1 6 ALA OXT O 8.261 8.864 8.231 1.00 . A A . 6 ALA OXT 1 1
15 1121 1 1 1 DAL C C 4.419 5.055 3.383 1.00 . A A . 1 DAL C 1 1
15 1122 1 1 1 DAL CA C 4.388 5.702 2.003 1.00 . A A . 1 DAL CA 1 1
15 1123 1 1 1 DAL CB C 4.098 7.198 2.137 1.00 . A A . 1 DAL CB 1 1
15 1124 1 1 1 DAL H2 H 5.716 6.034 0.435 1.00 . A A . 1 DAL H2 1 1
15 1125 1 1 1 DAL H3 H 5.860 4.500 1.152 1.00 . A A . 1 DAL H3 1 1
15 1126 1 1 1 DAL HA H 3.615 5.239 1.407 1.00 . A A . 1 DAL HA 1 1
15 1127 1 1 1 DAL HB1 H 3.651 7.390 3.100 1.00 . A A . 1 DAL HB1 1 1
15 1128 1 1 1 DAL HB2 H 3.417 7.503 1.356 1.00 . A A . 1 DAL HB2 1 1
15 1129 1 1 1 DAL N N 5.706 5.512 1.335 1.00 . A A . 1 DAL N 1 1
15 1130 1 1 1 DAL O O 5.413 5.155 4.103 1.00 . A A . 1 DAL O 1 1
15 1131 1 1 2 LEU C C 4.619 3.316 5.526 1.00 . A A . 2 LEU C 1 1
15 1132 1 1 2 LEU CA C 3.234 3.737 5.044 1.00 . A A . 2 LEU CA 1 1
15 1133 1 1 2 LEU CB C 2.327 2.507 4.943 1.00 . A A . 2 LEU CB 1 1
15 1134 1 1 2 LEU CD1 C 1.772 2.713 7.371 1.00 . A A . 2 LEU CD1 1 1
15 1135 1 1 2 LEU CD2 C 0.371 3.885 5.665 1.00 . A A . 2 LEU CD2 1 1
15 1136 1 1 2 LEU CG C 1.188 2.624 5.959 1.00 . A A . 2 LEU CG 1 1
15 1137 1 1 2 LEU H H 2.562 4.351 3.131 1.00 . A A . 2 LEU H 1 1
15 1138 1 1 2 LEU HA H 2.811 4.427 5.757 1.00 . A A . 2 LEU HA 1 1
15 1139 1 1 2 LEU HB2 H 1.914 2.446 3.946 1.00 . A A . 2 LEU HB2 1 1
15 1140 1 1 2 LEU HB3 H 2.901 1.616 5.150 1.00 . A A . 2 LEU HB3 1 1
15 1141 1 1 2 LEU HD11 H 1.529 1.813 7.917 1.00 . A A . 2 LEU HD11 1 1
15 1142 1 1 2 LEU HD12 H 1.353 3.567 7.882 1.00 . A A . 2 LEU HD12 1 1
15 1143 1 1 2 LEU HD13 H 2.844 2.819 7.312 1.00 . A A . 2 LEU HD13 1 1
15 1144 1 1 2 LEU HD21 H 0.546 4.617 6.441 1.00 . A A . 2 LEU HD21 1 1
15 1145 1 1 2 LEU HD22 H -0.679 3.635 5.637 1.00 . A A . 2 LEU HD22 1 1
15 1146 1 1 2 LEU HD23 H 0.669 4.294 4.711 1.00 . A A . 2 LEU HD23 1 1
15 1147 1 1 2 LEU HG H 0.551 1.755 5.888 1.00 . A A . 2 LEU HG 1 1
15 1148 1 1 2 LEU N N 3.324 4.395 3.746 1.00 . A A . 2 LEU N 1 1
15 1149 1 1 2 LEU O O 4.903 3.334 6.724 1.00 . A A . 2 LEU O 1 1
15 1150 1 1 3 SER C C 7.797 3.688 4.869 1.00 . A A . 3 SER C 1 1
15 1151 1 1 3 SER CA C 6.828 2.512 4.926 1.00 . A A . 3 SER CA 1 1
15 1152 1 1 3 SER CB C 7.291 1.422 3.959 1.00 . A A . 3 SER CB 1 1
15 1153 1 1 3 SER H H 5.193 2.942 3.648 1.00 . A A . 3 SER H 1 1
15 1154 1 1 3 SER HA H 6.826 2.109 5.928 1.00 . A A . 3 SER HA 1 1
15 1155 1 1 3 SER HB2 H 8.365 1.345 3.988 1.00 . A A . 3 SER HB2 1 1
15 1156 1 1 3 SER HB3 H 6.857 0.475 4.252 1.00 . A A . 3 SER HB3 1 1
15 1157 1 1 3 SER HG H 7.579 2.281 2.238 1.00 . A A . 3 SER HG 1 1
15 1158 1 1 3 SER N N 5.476 2.937 4.586 1.00 . A A . 3 SER N 1 1
15 1159 1 1 3 SER O O 8.506 3.967 5.836 1.00 . A A . 3 SER O 1 1
15 1160 1 1 3 SER OG O 6.881 1.760 2.641 1.00 . A A . 3 SER OG 1 1
15 1161 1 1 4 LEU C C 8.147 6.761 4.225 1.00 . A A . 4 LEU C 1 1
15 1162 1 1 4 LEU CA C 8.724 5.512 3.562 1.00 . A A . 4 LEU CA 1 1
15 1163 1 1 4 LEU CB C 8.964 5.779 2.073 1.00 . A A . 4 LEU CB 1 1
15 1164 1 1 4 LEU CD1 C 11.424 5.349 2.138 1.00 . A A . 4 LEU CD1 1 1
15 1165 1 1 4 LEU CD2 C 10.479 6.930 0.452 1.00 . A A . 4 LEU CD2 1 1
15 1166 1 1 4 LEU CG C 10.347 6.405 1.884 1.00 . A A . 4 LEU CG 1 1
15 1167 1 1 4 LEU H H 7.246 4.104 2.989 1.00 . A A . 4 LEU H 1 1
15 1168 1 1 4 LEU HA H 9.670 5.279 4.027 1.00 . A A . 4 LEU HA 1 1
15 1169 1 1 4 LEU HB2 H 8.914 4.847 1.527 1.00 . A A . 4 LEU HB2 1 1
15 1170 1 1 4 LEU HB3 H 8.211 6.456 1.700 1.00 . A A . 4 LEU HB3 1 1
15 1171 1 1 4 LEU HD11 H 11.037 4.372 1.889 1.00 . A A . 4 LEU HD11 1 1
15 1172 1 1 4 LEU HD12 H 11.709 5.369 3.180 1.00 . A A . 4 LEU HD12 1 1
15 1173 1 1 4 LEU HD13 H 12.288 5.560 1.524 1.00 . A A . 4 LEU HD13 1 1
15 1174 1 1 4 LEU HD21 H 10.961 6.184 -0.162 1.00 . A A . 4 LEU HD21 1 1
15 1175 1 1 4 LEU HD22 H 11.072 7.833 0.453 1.00 . A A . 4 LEU HD22 1 1
15 1176 1 1 4 LEU HD23 H 9.498 7.144 0.055 1.00 . A A . 4 LEU HD23 1 1
15 1177 1 1 4 LEU HG H 10.471 7.220 2.582 1.00 . A A . 4 LEU HG 1 1
15 1178 1 1 4 LEU N N 7.829 4.372 3.729 1.00 . A A . 4 LEU N 1 1
15 1179 1 1 4 LEU O O 8.872 7.521 4.867 1.00 . A A . 4 LEU O 1 1
15 1180 1 1 5 CYS C C 5.119 7.703 5.658 1.00 . A A . 5 CYS C 1 1
15 1181 1 1 5 CYS CA C 6.193 8.134 4.665 1.00 . A A . 5 CYS CA 1 1
15 1182 1 1 5 CYS CB C 5.570 9.004 3.571 1.00 . A A . 5 CYS CB 1 1
15 1183 1 1 5 CYS H H 6.307 6.334 3.552 1.00 . A A . 5 CYS H 1 1
15 1184 1 1 5 CYS HA H 6.937 8.717 5.188 1.00 . A A . 5 CYS HA 1 1
15 1185 1 1 5 CYS HB2 H 4.542 9.218 3.821 1.00 . A A . 5 CYS HB2 1 1
15 1186 1 1 5 CYS HB3 H 6.119 9.931 3.495 1.00 . A A . 5 CYS HB3 1 1
15 1187 1 1 5 CYS N N 6.842 6.971 4.070 1.00 . A A . 5 CYS N 1 1
15 1188 1 1 5 CYS O O 3.941 7.613 5.312 1.00 . A A . 5 CYS O 1 1
15 1189 1 1 5 CYS SG S 5.646 8.128 1.986 1.00 . A A . 5 CYS SG 1 1
15 1190 1 1 6 ALA C C 4.245 8.189 8.840 1.00 . A A . 6 ALA C 1 1
15 1191 1 1 6 ALA CA C 4.597 7.017 7.929 1.00 . A A . 6 ALA CA 1 1
15 1192 1 1 6 ALA CB C 5.210 5.888 8.759 1.00 . A A . 6 ALA CB 1 1
15 1193 1 1 6 ALA H H 6.484 7.527 7.111 1.00 . A A . 6 ALA H 1 1
15 1194 1 1 6 ALA HA H 3.695 6.654 7.460 1.00 . A A . 6 ALA HA 1 1
15 1195 1 1 6 ALA HB1 H 4.491 5.546 9.488 1.00 . A A . 6 ALA HB1 1 1
15 1196 1 1 6 ALA HB2 H 6.092 6.253 9.266 1.00 . A A . 6 ALA HB2 1 1
15 1197 1 1 6 ALA HB3 H 5.482 5.070 8.109 1.00 . A A . 6 ALA HB3 1 1
15 1198 1 1 6 ALA N N 5.533 7.438 6.893 1.00 . A A . 6 ALA N 1 1
15 1199 1 1 6 ALA O O 4.566 8.117 10.015 1.00 . A A . 6 ALA O 1 1
15 1200 1 1 6 ALA OXT O 3.661 9.141 8.349 1.00 . A A . 6 ALA OXT 1 1
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