NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
641905 |
6qtf   |
34363 | cing | 4-filtered-FRED | STAR | entry | full | 14 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6qtf
# This FRED archive file contains, for PDB entry <6qtf>:
#
# - 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_6qtf
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6qtf
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 461.53
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 $DCY_LEU_GLY_ALA_THR A . 1 1
stop_
save_
save_DCY_LEU_GLY_ALA_THR
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "DCY LEU GLY ALA THR"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XLGAT
_Entity.Number_of_monomers 5
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 . $. 1 1
2 LEU . 1 1
3 GLY . 1 1
4 ALA . 1 1
5 THR . 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
. 1 1 1 1
LEU 2 2 1 1
GLY 3 3 1 1
ALA 4 4 1 1
THR 5 5 1 1
stop_
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_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
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 2 LEU H . 2 . HN 1 1
1 1 2 1 1 5 THR H . 5 . HN 1 1
2 1 1 1 1 2 LEU HA . 2 . HA 1 1
2 1 2 1 1 3 GLY H . 3 . HN 1 1
3 1 1 1 1 2 LEU HA . 2 . HA 1 1
3 1 2 1 1 3 GLY HA3 . 3 . HA1 1 1
4 1 1 1 1 2 LEU HA . 2 . HA 1 1
4 1 2 1 1 4 ALA H . 4 . HN 1 1
5 1 1 1 1 2 LEU QB . 2 . HB# 1 1
5 1 2 1 1 3 GLY H . 3 . HN 1 1
6 1 1 1 1 3 GLY H . 3 . HN 1 1
6 1 2 1 1 4 ALA H . 4 . HN 1 1
7 1 1 1 1 3 GLY HA2 . 3 . HA2 1 1
7 1 2 1 1 4 ALA H . 4 . HN 1 1
8 1 1 1 1 3 GLY HA3 . 3 . HA1 1 1
8 1 2 1 1 4 ALA H . 4 . HN 1 1
9 1 1 1 1 4 ALA H . 4 . HN 1 1
9 1 2 1 1 5 THR H . 5 . HN 1 1
10 1 1 1 1 4 ALA HA . 4 . HA 1 1
10 1 2 1 1 5 THR 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 . . . . . 3.8 3.0 4.6 1 1
2 1 . . . . . 3.3 2.6 4.0 1 1
3 1 . . . . . 4.4 3.5 5.3 1 1
4 1 . . . . . 4.3 3.4 5.2 1 1
5 1 . . . . . 4.3 3.4 5.2 1 1
6 1 . . . . . 3.2 2.6 3.8 1 1
7 1 . . . . . 4.1 3.3 4.9 1 1
8 1 . . . . . 4.3 3.4 5.2 1 1
9 1 . . . . . 3.6 3.0 4.3 1 1
10 1 . . . . . 2.9 2.3 3.5 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 2 LEU C 1 1 3 GLY N 1 1 3 GLY CA 1 1 3 GLY C 38.2 118.19999 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
2 . 1 1 3 GLY C 1 1 4 ALA N 1 1 4 ALA CA 1 1 4 ALA C -122.2 -42.2 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
3 . 1 1 4 ALA C 1 1 5 THR N 1 1 5 THR CA 1 1 5 THR C -141.6 -61.600002 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
4 . 1 1 3 GLY N 1 1 3 GLY CA 1 1 3 GLY C 1 1 4 ALA N -26.0 49.8 . 3 . N . 3 . CA . 3 . C . 4 . N 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 . C C 5.838 4.565 5.848 1.00 . A A . 1 DCY C 1 1
1 2 1 1 1 . CA C 6.921 3.505 5.683 1.00 . A A . 1 DCY CA 1 1
1 3 1 1 1 . CB C 8.242 4.150 5.239 1.00 . A A . 1 DCY CB 1 1
1 4 1 1 1 . H H 7.037 3.485 7.762 1.00 . A A . 1 DCY H 1 1
1 5 1 1 1 . H2 H 8.077 2.379 6.999 1.00 . A A . 1 DCY H2 1 1
1 6 1 1 1 . H3 H 6.411 2.059 7.092 1.00 . A A . 1 DCY H3 1 1
1 7 1 1 1 . HA H 6.606 2.791 4.936 1.00 . A A . 1 DCY HA 1 1
1 8 1 1 1 . HB2 H 8.676 3.560 4.450 1.00 . A A . 1 DCY HB2 1 1
1 9 1 1 1 . HB3 H 8.922 4.177 6.078 1.00 . A A . 1 DCY HB3 1 1
1 10 1 1 1 . N N 7.127 2.804 6.982 1.00 . A A . 1 DCY N 1 1
1 11 1 1 1 . O O 4.748 4.439 5.293 1.00 . A A . 1 DCY O 1 1
1 12 1 1 1 . SG S 7.942 5.847 4.657 1.00 . A A . 1 DCY SG 1 1
1 13 1 1 2 LEU C C 4.819 7.294 5.461 1.00 . A A . 2 LEU C 1 1
1 14 1 1 2 LEU CA C 5.203 6.705 6.813 1.00 . A A . 2 LEU CA 1 1
1 15 1 1 2 LEU CB C 5.835 7.789 7.688 1.00 . A A . 2 LEU CB 1 1
1 16 1 1 2 LEU CD1 C 6.551 8.197 10.047 1.00 . A A . 2 LEU CD1 1 1
1 17 1 1 2 LEU CD2 C 4.122 8.032 9.490 1.00 . A A . 2 LEU CD2 1 1
1 18 1 1 2 LEU CG C 5.519 7.503 9.157 1.00 . A A . 2 LEU CG 1 1
1 19 1 1 2 LEU H H 7.041 5.666 7.003 1.00 . A A . 2 LEU H 1 1
1 20 1 1 2 LEU HA H 4.321 6.321 7.308 1.00 . A A . 2 LEU HA 1 1
1 21 1 1 2 LEU HB2 H 6.905 7.790 7.542 1.00 . A A . 2 LEU HB2 1 1
1 22 1 1 2 LEU HB3 H 5.432 8.753 7.416 1.00 . A A . 2 LEU HB3 1 1
1 23 1 1 2 LEU HD11 H 7.488 7.664 9.994 1.00 . A A . 2 LEU HD11 1 1
1 24 1 1 2 LEU HD12 H 6.198 8.207 11.067 1.00 . A A . 2 LEU HD12 1 1
1 25 1 1 2 LEU HD13 H 6.695 9.212 9.706 1.00 . A A . 2 LEU HD13 1 1
1 26 1 1 2 LEU HD21 H 4.070 9.084 9.251 1.00 . A A . 2 LEU HD21 1 1
1 27 1 1 2 LEU HD22 H 3.926 7.892 10.542 1.00 . A A . 2 LEU HD22 1 1
1 28 1 1 2 LEU HD23 H 3.386 7.495 8.911 1.00 . A A . 2 LEU HD23 1 1
1 29 1 1 2 LEU HG H 5.553 6.437 9.331 1.00 . A A . 2 LEU HG 1 1
1 30 1 1 2 LEU N N 6.152 5.616 6.600 1.00 . A A . 2 LEU N 1 1
1 31 1 1 2 LEU O O 5.221 8.406 5.119 1.00 . A A . 2 LEU O 1 1
1 32 1 1 3 GLY C C 4.776 6.480 2.362 1.00 . A A . 3 GLY C 1 1
1 33 1 1 3 GLY CA C 3.695 6.936 3.340 1.00 . A A . 3 GLY CA 1 1
1 34 1 1 3 GLY H H 3.822 5.624 4.984 1.00 . A A . 3 GLY H 1 1
1 35 1 1 3 GLY HA2 H 2.754 6.466 3.082 1.00 . A A . 3 GLY HA2 1 1
1 36 1 1 3 GLY HA3 H 3.582 8.016 3.295 1.00 . A A . 3 GLY HA3 1 1
1 37 1 1 3 GLY N N 4.081 6.516 4.675 1.00 . A A . 3 GLY N 1 1
1 38 1 1 3 GLY O O 4.524 6.338 1.166 1.00 . A A . 3 GLY O 1 1
1 39 1 1 4 ALA C C 6.786 4.454 1.357 1.00 . A A . 4 ALA C 1 1
1 40 1 1 4 ALA CA C 7.099 5.787 2.052 1.00 . A A . 4 ALA CA 1 1
1 41 1 1 4 ALA CB C 8.370 5.657 2.899 1.00 . A A . 4 ALA CB 1 1
1 42 1 1 4 ALA H H 6.149 6.371 3.857 1.00 . A A . 4 ALA H 1 1
1 43 1 1 4 ALA HA H 7.273 6.527 1.294 1.00 . A A . 4 ALA HA 1 1
1 44 1 1 4 ALA HB2 H 8.836 4.701 2.723 1.00 . A A . 4 ALA HB2 1 1
1 45 1 1 4 ALA HB3 H 9.056 6.437 2.618 1.00 . A A . 4 ALA HB3 1 1
1 46 1 1 4 ALA N N 5.992 6.238 2.888 1.00 . A A . 4 ALA N 1 1
1 47 1 1 4 ALA O O 7.219 4.232 0.226 1.00 . A A . 4 ALA O 1 1
1 48 1 1 5 THR C C 4.497 2.424 0.494 1.00 . A A . 5 THR C 1 1
1 49 1 1 5 THR CA C 5.698 2.281 1.425 1.00 . A A . 5 THR CA 1 1
1 50 1 1 5 THR CB C 5.376 1.265 2.522 1.00 . A A . 5 THR CB 1 1
1 51 1 1 5 THR CG2 C 6.668 0.600 3.000 1.00 . A A . 5 THR CG2 1 1
1 52 1 1 5 THR H H 5.710 3.776 2.918 1.00 . A A . 5 THR H 1 1
1 53 1 1 5 THR HA H 6.543 1.924 0.855 1.00 . A A . 5 THR HA 1 1
1 54 1 1 5 THR HB H 4.712 0.510 2.131 1.00 . A A . 5 THR HB 1 1
1 55 1 1 5 THR HG1 H 4.938 1.429 4.410 1.00 . A A . 5 THR HG1 1 1
1 56 1 1 5 THR HG21 H 7.511 1.221 2.736 1.00 . A A . 5 THR HG21 1 1
1 57 1 1 5 THR HG22 H 6.771 -0.367 2.530 1.00 . A A . 5 THR HG22 1 1
1 58 1 1 5 THR HG23 H 6.634 0.477 4.073 1.00 . A A . 5 THR HG23 1 1
1 59 1 1 5 THR N N 6.038 3.568 2.021 1.00 . A A . 5 THR N 1 1
1 60 1 1 5 THR O O 3.618 3.208 0.810 1.00 . A A . 5 THR O 1 1
1 61 1 1 5 THR OXT O 4.475 1.746 -0.520 1.00 . A A . 5 THR OXT 1 1
1 62 1 1 5 THR OG1 O 4.752 1.929 3.612 1.00 . A A . 5 THR OG1 1 1
2 63 1 1 1 . C C 5.810 4.567 5.817 1.00 . A A . 1 DCY C 1 1
2 64 1 1 1 . CA C 6.858 3.476 5.631 1.00 . A A . 1 DCY CA 1 1
2 65 1 1 1 . CB C 8.186 4.084 5.155 1.00 . A A . 1 DCY CB 1 1
2 66 1 1 1 . H H 6.280 2.124 7.105 1.00 . A A . 1 DCY H 1 1
2 67 1 1 1 . H2 H 7.135 3.468 7.694 1.00 . A A . 1 DCY H2 1 1
2 68 1 1 1 . H3 H 7.958 2.224 6.881 1.00 . A A . 1 DCY H3 1 1
2 69 1 1 1 . HA H 6.507 2.770 4.891 1.00 . A A . 1 DCY HA 1 1
2 70 1 1 1 . HB2 H 8.558 3.512 4.323 1.00 . A A . 1 DCY HB2 1 1
2 71 1 1 1 . HB3 H 8.903 4.043 5.962 1.00 . A A . 1 DCY HB3 1 1
2 72 1 1 1 . N N 7.074 2.770 6.926 1.00 . A A . 1 DCY N 1 1
2 73 1 1 1 . O O 4.716 4.481 5.263 1.00 . A A . 1 DCY O 1 1
2 74 1 1 1 . SG S 7.937 5.817 4.661 1.00 . A A . 1 DCY SG 1 1
2 75 1 1 2 LEU C C 4.856 7.303 5.450 1.00 . A A . 2 LEU C 1 1
2 76 1 1 2 LEU CA C 5.247 6.717 6.805 1.00 . A A . 2 LEU CA 1 1
2 77 1 1 2 LEU CB C 5.935 7.787 7.656 1.00 . A A . 2 LEU CB 1 1
2 78 1 1 2 LEU CD1 C 5.690 9.193 9.704 1.00 . A A . 2 LEU CD1 1 1
2 79 1 1 2 LEU CD2 C 3.966 9.311 7.901 1.00 . A A . 2 LEU CD2 1 1
2 80 1 1 2 LEU CG C 4.934 8.387 8.646 1.00 . A A . 2 LEU CG 1 1
2 81 1 1 2 LEU H H 7.054 5.619 6.982 1.00 . A A . 2 LEU H 1 1
2 82 1 1 2 LEU HA H 4.364 6.364 7.321 1.00 . A A . 2 LEU HA 1 1
2 83 1 1 2 LEU HB2 H 6.753 7.339 8.200 1.00 . A A . 2 LEU HB2 1 1
2 84 1 1 2 LEU HB3 H 6.316 8.567 7.016 1.00 . A A . 2 LEU HB3 1 1
2 85 1 1 2 LEU HD11 H 6.468 9.771 9.226 1.00 . A A . 2 LEU HD11 1 1
2 86 1 1 2 LEU HD12 H 6.134 8.518 10.420 1.00 . A A . 2 LEU HD12 1 1
2 87 1 1 2 LEU HD13 H 5.006 9.857 10.210 1.00 . A A . 2 LEU HD13 1 1
2 88 1 1 2 LEU HD21 H 3.750 8.897 6.928 1.00 . A A . 2 LEU HD21 1 1
2 89 1 1 2 LEU HD22 H 4.416 10.285 7.785 1.00 . A A . 2 LEU HD22 1 1
2 90 1 1 2 LEU HD23 H 3.050 9.403 8.464 1.00 . A A . 2 LEU HD23 1 1
2 91 1 1 2 LEU HG H 4.380 7.593 9.128 1.00 . A A . 2 LEU HG 1 1
2 92 1 1 2 LEU N N 6.161 5.600 6.581 1.00 . A A . 2 LEU N 1 1
2 93 1 1 2 LEU O O 5.299 8.389 5.082 1.00 . A A . 2 LEU O 1 1
2 94 1 1 3 GLY C C 4.752 6.519 2.374 1.00 . A A . 3 GLY C 1 1
2 95 1 1 3 GLY CA C 3.673 6.968 3.360 1.00 . A A . 3 GLY CA 1 1
2 96 1 1 3 GLY H H 3.775 5.673 5.019 1.00 . A A . 3 GLY H 1 1
2 97 1 1 3 GLY HA2 H 2.732 6.496 3.104 1.00 . A A . 3 GLY HA2 1 1
2 98 1 1 3 GLY HA3 H 3.558 8.048 3.318 1.00 . A A . 3 GLY HA3 1 1
2 99 1 1 3 GLY N N 4.067 6.548 4.692 1.00 . A A . 3 GLY N 1 1
2 100 1 1 3 GLY O O 4.503 6.415 1.172 1.00 . A A . 3 GLY O 1 1
2 101 1 1 4 ALA C C 6.784 4.457 1.372 1.00 . A A . 4 ALA C 1 1
2 102 1 1 4 ALA CA C 7.071 5.802 2.058 1.00 . A A . 4 ALA CA 1 1
2 103 1 1 4 ALA CB C 8.354 5.701 2.894 1.00 . A A . 4 ALA CB 1 1
2 104 1 1 4 ALA H H 6.114 6.354 3.871 1.00 . A A . 4 ALA H 1 1
2 105 1 1 4 ALA HA H 7.227 6.539 1.293 1.00 . A A . 4 ALA HA 1 1
2 106 1 1 4 ALA HB2 H 8.860 4.773 2.686 1.00 . A A . 4 ALA HB2 1 1
2 107 1 1 4 ALA HB3 H 9.005 6.519 2.633 1.00 . A A . 4 ALA HB3 1 1
2 108 1 1 4 ALA N N 5.962 6.246 2.899 1.00 . A A . 4 ALA N 1 1
2 109 1 1 4 ALA O O 7.206 4.245 0.235 1.00 . A A . 4 ALA O 1 1
2 110 1 1 5 THR C C 4.473 2.322 0.655 1.00 . A A . 5 THR C 1 1
2 111 1 1 5 THR CA C 5.767 2.251 1.460 1.00 . A A . 5 THR CA 1 1
2 112 1 1 5 THR CB C 5.631 1.198 2.563 1.00 . A A . 5 THR CB 1 1
2 113 1 1 5 THR CG2 C 7.023 0.768 3.032 1.00 . A A . 5 THR CG2 1 1
2 114 1 1 5 THR H H 5.757 3.747 2.947 1.00 . A A . 5 THR H 1 1
2 115 1 1 5 THR HA H 6.574 1.964 0.803 1.00 . A A . 5 THR HA 1 1
2 116 1 1 5 THR HB H 5.105 0.338 2.178 1.00 . A A . 5 THR HB 1 1
2 117 1 1 5 THR HG1 H 4.823 2.692 3.510 1.00 . A A . 5 THR HG1 1 1
2 118 1 1 5 THR HG21 H 7.493 0.171 2.265 1.00 . A A . 5 THR HG21 1 1
2 119 1 1 5 THR HG22 H 6.934 0.186 3.938 1.00 . A A . 5 THR HG22 1 1
2 120 1 1 5 THR HG23 H 7.623 1.644 3.225 1.00 . A A . 5 THR HG23 1 1
2 121 1 1 5 THR N N 6.076 3.549 2.048 1.00 . A A . 5 THR N 1 1
2 122 1 1 5 THR O O 3.629 3.133 0.997 1.00 . A A . 5 THR O 1 1
2 123 1 1 5 THR OXT O 4.347 1.565 -0.294 1.00 . A A . 5 THR OXT 1 1
2 124 1 1 5 THR OG1 O 4.909 1.747 3.656 1.00 . A A . 5 THR OG1 1 1
3 125 1 1 1 . C C 5.807 4.570 5.864 1.00 . A A . 1 DCY C 1 1
3 126 1 1 1 . CA C 6.858 3.483 5.670 1.00 . A A . 1 DCY CA 1 1
3 127 1 1 1 . CB C 8.184 4.094 5.192 1.00 . A A . 1 DCY CB 1 1
3 128 1 1 1 . H H 6.710 1.802 6.890 1.00 . A A . 1 DCY H 1 1
3 129 1 1 1 . H2 H 6.587 3.277 7.724 1.00 . A A . 1 DCY H2 1 1
3 130 1 1 1 . H3 H 8.098 2.736 7.167 1.00 . A A . 1 DCY H3 1 1
3 131 1 1 1 . HA H 6.507 2.781 4.929 1.00 . A A . 1 DCY HA 1 1
3 132 1 1 1 . HB2 H 8.564 3.514 4.369 1.00 . A A . 1 DCY HB2 1 1
3 133 1 1 1 . HB3 H 8.898 4.072 6.003 1.00 . A A . 1 DCY HB3 1 1
3 134 1 1 1 . N N 7.080 2.770 6.960 1.00 . A A . 1 DCY N 1 1
3 135 1 1 1 . O O 4.692 4.457 5.358 1.00 . A A . 1 DCY O 1 1
3 136 1 1 1 . SG S 7.924 5.818 4.671 1.00 . A A . 1 DCY SG 1 1
3 137 1 1 2 LEU C C 4.846 7.315 5.453 1.00 . A A . 2 LEU C 1 1
3 138 1 1 2 LEU CA C 5.255 6.743 6.805 1.00 . A A . 2 LEU CA 1 1
3 139 1 1 2 LEU CB C 5.940 7.828 7.639 1.00 . A A . 2 LEU CB 1 1
3 140 1 1 2 LEU CD1 C 7.004 6.313 9.316 1.00 . A A . 2 LEU CD1 1 1
3 141 1 1 2 LEU CD2 C 6.309 8.618 9.979 1.00 . A A . 2 LEU CD2 1 1
3 142 1 1 2 LEU CG C 5.957 7.409 9.109 1.00 . A A . 2 LEU CG 1 1
3 143 1 1 2 LEU H H 7.082 5.672 6.944 1.00 . A A . 2 LEU H 1 1
3 144 1 1 2 LEU HA H 4.380 6.388 7.335 1.00 . A A . 2 LEU HA 1 1
3 145 1 1 2 LEU HB2 H 6.954 7.964 7.290 1.00 . A A . 2 LEU HB2 1 1
3 146 1 1 2 LEU HB3 H 5.396 8.757 7.538 1.00 . A A . 2 LEU HB3 1 1
3 147 1 1 2 LEU HD11 H 7.943 6.627 8.888 1.00 . A A . 2 LEU HD11 1 1
3 148 1 1 2 LEU HD12 H 6.674 5.405 8.833 1.00 . A A . 2 LEU HD12 1 1
3 149 1 1 2 LEU HD13 H 7.131 6.132 10.373 1.00 . A A . 2 LEU HD13 1 1
3 150 1 1 2 LEU HD21 H 5.712 9.466 9.676 1.00 . A A . 2 LEU HD21 1 1
3 151 1 1 2 LEU HD22 H 7.356 8.854 9.861 1.00 . A A . 2 LEU HD22 1 1
3 152 1 1 2 LEU HD23 H 6.106 8.387 11.015 1.00 . A A . 2 LEU HD23 1 1
3 153 1 1 2 LEU HG H 4.982 7.034 9.388 1.00 . A A . 2 LEU HG 1 1
3 154 1 1 2 LEU N N 6.175 5.630 6.580 1.00 . A A . 2 LEU N 1 1
3 155 1 1 2 LEU O O 5.254 8.416 5.083 1.00 . A A . 2 LEU O 1 1
3 156 1 1 3 GLY C C 4.752 6.492 2.378 1.00 . A A . 3 GLY C 1 1
3 157 1 1 3 GLY CA C 3.672 6.934 3.365 1.00 . A A . 3 GLY CA 1 1
3 158 1 1 3 GLY H H 3.819 5.649 5.028 1.00 . A A . 3 GLY H 1 1
3 159 1 1 3 GLY HA2 H 2.737 6.445 3.119 1.00 . A A . 3 GLY HA2 1 1
3 160 1 1 3 GLY HA3 H 3.540 8.012 3.314 1.00 . A A . 3 GLY HA3 1 1
3 161 1 1 3 GLY N N 4.081 6.533 4.698 1.00 . A A . 3 GLY N 1 1
3 162 1 1 3 GLY O O 4.505 6.386 1.177 1.00 . A A . 3 GLY O 1 1
3 163 1 1 4 ALA C C 6.788 4.459 1.360 1.00 . A A . 4 ALA C 1 1
3 164 1 1 4 ALA CA C 7.076 5.793 2.064 1.00 . A A . 4 ALA CA 1 1
3 165 1 1 4 ALA CB C 8.352 5.680 2.909 1.00 . A A . 4 ALA CB 1 1
3 166 1 1 4 ALA H H 6.114 6.338 3.876 1.00 . A A . 4 ALA H 1 1
3 167 1 1 4 ALA HA H 7.240 6.540 1.310 1.00 . A A . 4 ALA HA 1 1
3 168 1 1 4 ALA HB2 H 8.845 4.742 2.711 1.00 . A A . 4 ALA HB2 1 1
3 169 1 1 4 ALA HB3 H 9.015 6.485 2.644 1.00 . A A . 4 ALA HB3 1 1
3 170 1 1 4 ALA N N 5.963 6.229 2.903 1.00 . A A . 4 ALA N 1 1
3 171 1 1 4 ALA O O 7.218 4.257 0.224 1.00 . A A . 4 ALA O 1 1
3 172 1 1 5 THR C C 4.527 2.378 0.509 1.00 . A A . 5 THR C 1 1
3 173 1 1 5 THR CA C 5.755 2.261 1.409 1.00 . A A . 5 THR CA 1 1
3 174 1 1 5 THR CB C 5.497 1.216 2.497 1.00 . A A . 5 THR CB 1 1
3 175 1 1 5 THR CG2 C 6.826 0.600 2.939 1.00 . A A . 5 THR CG2 1 1
3 176 1 1 5 THR H H 5.739 3.738 2.917 1.00 . A A . 5 THR H 1 1
3 177 1 1 5 THR HA H 6.597 1.943 0.813 1.00 . A A . 5 THR HA 1 1
3 178 1 1 5 THR HB H 4.858 0.439 2.109 1.00 . A A . 5 THR HB 1 1
3 179 1 1 5 THR HG1 H 4.481 1.149 4.154 1.00 . A A . 5 THR HG1 1 1
3 180 1 1 5 THR HG21 H 7.638 1.246 2.643 1.00 . A A . 5 THR HG21 1 1
3 181 1 1 5 THR HG22 H 6.946 -0.368 2.474 1.00 . A A . 5 THR HG22 1 1
3 182 1 1 5 THR HG23 H 6.829 0.486 4.013 1.00 . A A . 5 THR HG23 1 1
3 183 1 1 5 THR N N 6.066 3.549 2.018 1.00 . A A . 5 THR N 1 1
3 184 1 1 5 THR O O 3.699 1.483 0.549 1.00 . A A . 5 THR O 1 1
3 185 1 1 5 THR OXT O 4.435 3.361 -0.207 1.00 . A A . 5 THR OXT 1 1
3 186 1 1 5 THR OG1 O 4.867 1.838 3.608 1.00 . A A . 5 THR OG1 1 1
4 187 1 1 1 . C C 5.815 4.569 5.834 1.00 . A A . 1 DCY C 1 1
4 188 1 1 1 . CA C 6.869 3.483 5.646 1.00 . A A . 1 DCY CA 1 1
4 189 1 1 1 . CB C 8.191 4.091 5.157 1.00 . A A . 1 DCY CB 1 1
4 190 1 1 1 . H H 7.346 1.791 6.762 1.00 . A A . 1 DCY H 1 1
4 191 1 1 1 . H2 H 6.231 2.826 7.516 1.00 . A A . 1 DCY H2 1 1
4 192 1 1 1 . H3 H 7.876 3.246 7.453 1.00 . A A . 1 DCY H3 1 1
4 193 1 1 1 . HA H 6.516 2.773 4.914 1.00 . A A . 1 DCY HA 1 1
4 194 1 1 1 . HB2 H 8.558 3.515 4.324 1.00 . A A . 1 DCY HB2 1 1
4 195 1 1 1 . HB3 H 8.915 4.059 5.959 1.00 . A A . 1 DCY HB3 1 1
4 196 1 1 1 . N N 7.097 2.784 6.942 1.00 . A A . 1 DCY N 1 1
4 197 1 1 1 . O O 4.716 4.470 5.290 1.00 . A A . 1 DCY O 1 1
4 198 1 1 1 . SG S 7.934 5.820 4.652 1.00 . A A . 1 DCY SG 1 1
4 199 1 1 2 LEU C C 4.845 7.309 5.462 1.00 . A A . 2 LEU C 1 1
4 200 1 1 2 LEU CA C 5.237 6.718 6.813 1.00 . A A . 2 LEU CA 1 1
4 201 1 1 2 LEU CB C 5.906 7.795 7.670 1.00 . A A . 2 LEU CB 1 1
4 202 1 1 2 LEU CD1 C 7.493 7.798 9.599 1.00 . A A . 2 LEU CD1 1 1
4 203 1 1 2 LEU CD2 C 5.033 7.656 10.006 1.00 . A A . 2 LEU CD2 1 1
4 204 1 1 2 LEU CG C 6.170 7.241 9.071 1.00 . A A . 2 LEU CG 1 1
4 205 1 1 2 LEU H H 7.056 5.640 6.982 1.00 . A A . 2 LEU H 1 1
4 206 1 1 2 LEU HA H 4.355 6.356 7.325 1.00 . A A . 2 LEU HA 1 1
4 207 1 1 2 LEU HB2 H 6.842 8.086 7.215 1.00 . A A . 2 LEU HB2 1 1
4 208 1 1 2 LEU HB3 H 5.256 8.653 7.741 1.00 . A A . 2 LEU HB3 1 1
4 209 1 1 2 LEU HD11 H 7.758 7.290 10.515 1.00 . A A . 2 LEU HD11 1 1
4 210 1 1 2 LEU HD12 H 7.386 8.856 9.793 1.00 . A A . 2 LEU HD12 1 1
4 211 1 1 2 LEU HD13 H 8.269 7.643 8.865 1.00 . A A . 2 LEU HD13 1 1
4 212 1 1 2 LEU HD21 H 5.040 7.027 10.883 1.00 . A A . 2 LEU HD21 1 1
4 213 1 1 2 LEU HD22 H 4.088 7.550 9.494 1.00 . A A . 2 LEU HD22 1 1
4 214 1 1 2 LEU HD23 H 5.168 8.687 10.301 1.00 . A A . 2 LEU HD23 1 1
4 215 1 1 2 LEU HG H 6.227 6.163 9.027 1.00 . A A . 2 LEU HG 1 1
4 216 1 1 2 LEU N N 6.162 5.610 6.587 1.00 . A A . 2 LEU N 1 1
4 217 1 1 2 LEU O O 5.271 8.407 5.106 1.00 . A A . 2 LEU O 1 1
4 218 1 1 3 GLY C C 4.755 6.515 2.371 1.00 . A A . 3 GLY C 1 1
4 219 1 1 3 GLY CA C 3.679 6.966 3.359 1.00 . A A . 3 GLY CA 1 1
4 220 1 1 3 GLY H H 3.797 5.662 5.011 1.00 . A A . 3 GLY H 1 1
4 221 1 1 3 GLY HA2 H 2.737 6.497 3.106 1.00 . A A . 3 GLY HA2 1 1
4 222 1 1 3 GLY HA3 H 3.566 8.047 3.318 1.00 . A A . 3 GLY HA3 1 1
4 223 1 1 3 GLY N N 4.075 6.545 4.691 1.00 . A A . 3 GLY N 1 1
4 224 1 1 3 GLY O O 4.505 6.411 1.171 1.00 . A A . 3 GLY O 1 1
4 225 1 1 4 ALA C C 6.780 4.455 1.362 1.00 . A A . 4 ALA C 1 1
4 226 1 1 4 ALA CA C 7.072 5.796 2.051 1.00 . A A . 4 ALA CA 1 1
4 227 1 1 4 ALA CB C 8.354 5.694 2.887 1.00 . A A . 4 ALA CB 1 1
4 228 1 1 4 ALA H H 6.120 6.350 3.866 1.00 . A A . 4 ALA H 1 1
4 229 1 1 4 ALA HA H 7.229 6.535 1.288 1.00 . A A . 4 ALA HA 1 1
4 230 1 1 4 ALA HB2 H 8.857 4.763 2.683 1.00 . A A . 4 ALA HB2 1 1
4 231 1 1 4 ALA HB3 H 9.006 6.509 2.623 1.00 . A A . 4 ALA HB3 1 1
4 232 1 1 4 ALA N N 5.965 6.241 2.894 1.00 . A A . 4 ALA N 1 1
4 233 1 1 4 ALA O O 7.196 4.245 0.222 1.00 . A A . 4 ALA O 1 1
4 234 1 1 5 THR C C 4.547 2.363 0.524 1.00 . A A . 5 THR C 1 1
4 235 1 1 5 THR CA C 5.759 2.251 1.444 1.00 . A A . 5 THR CA 1 1
4 236 1 1 5 THR CB C 5.472 1.229 2.546 1.00 . A A . 5 THR CB 1 1
4 237 1 1 5 THR CG2 C 5.165 -0.132 1.918 1.00 . A A . 5 THR CG2 1 1
4 238 1 1 5 THR H H 5.756 3.742 2.939 1.00 . A A . 5 THR H 1 1
4 239 1 1 5 THR HA H 6.607 1.914 0.869 1.00 . A A . 5 THR HA 1 1
4 240 1 1 5 THR HB H 4.621 1.552 3.125 1.00 . A A . 5 THR HB 1 1
4 241 1 1 5 THR HG1 H 7.254 1.766 3.109 1.00 . A A . 5 THR HG1 1 1
4 242 1 1 5 THR HG21 H 5.064 -0.020 0.848 1.00 . A A . 5 THR HG21 1 1
4 243 1 1 5 THR HG22 H 4.245 -0.519 2.328 1.00 . A A . 5 THR HG22 1 1
4 244 1 1 5 THR HG23 H 5.972 -0.817 2.132 1.00 . A A . 5 THR HG23 1 1
4 245 1 1 5 THR N N 6.073 3.546 2.038 1.00 . A A . 5 THR N 1 1
4 246 1 1 5 THR O O 4.742 2.642 -0.648 1.00 . A A . 5 THR O 1 1
4 247 1 1 5 THR OXT O 3.443 2.169 1.004 1.00 . A A . 5 THR OXT 1 1
4 248 1 1 5 THR OG1 O 6.607 1.117 3.393 1.00 . A A . 5 THR OG1 1 1
5 249 1 1 1 . C C 5.797 4.570 5.862 1.00 . A A . 1 DCY C 1 1
5 250 1 1 1 . CA C 6.841 3.477 5.662 1.00 . A A . 1 DCY CA 1 1
5 251 1 1 1 . CB C 8.166 4.079 5.173 1.00 . A A . 1 DCY CB 1 1
5 252 1 1 1 . H H 6.888 3.412 7.743 1.00 . A A . 1 DCY H 1 1
5 253 1 1 1 . H2 H 8.051 2.428 6.992 1.00 . A A . 1 DCY H2 1 1
5 254 1 1 1 . H3 H 6.419 1.953 7.017 1.00 . A A . 1 DCY H3 1 1
5 255 1 1 1 . HA H 6.478 2.776 4.925 1.00 . A A . 1 DCY HA 1 1
5 256 1 1 1 . HB2 H 8.529 3.503 4.340 1.00 . A A . 1 DCY HB2 1 1
5 257 1 1 1 . HB3 H 8.890 4.042 5.975 1.00 . A A . 1 DCY HB3 1 1
5 258 1 1 1 . N N 7.067 2.764 6.952 1.00 . A A . 1 DCY N 1 1
5 259 1 1 1 . O O 4.679 4.464 5.363 1.00 . A A . 1 DCY O 1 1
5 260 1 1 1 . SG S 7.918 5.810 4.671 1.00 . A A . 1 DCY SG 1 1
5 261 1 1 2 LEU C C 4.854 7.320 5.453 1.00 . A A . 2 LEU C 1 1
5 262 1 1 2 LEU CA C 5.268 6.749 6.805 1.00 . A A . 2 LEU CA 1 1
5 263 1 1 2 LEU CB C 5.969 7.832 7.629 1.00 . A A . 2 LEU CB 1 1
5 264 1 1 2 LEU CD1 C 4.734 7.794 9.800 1.00 . A A . 2 LEU CD1 1 1
5 265 1 1 2 LEU CD2 C 5.450 9.971 8.808 1.00 . A A . 2 LEU CD2 1 1
5 266 1 1 2 LEU CG C 4.941 8.563 8.494 1.00 . A A . 2 LEU CG 1 1
5 267 1 1 2 LEU H H 7.087 5.665 6.933 1.00 . A A . 2 LEU H 1 1
5 268 1 1 2 LEU HA H 4.395 6.403 7.342 1.00 . A A . 2 LEU HA 1 1
5 269 1 1 2 LEU HB2 H 6.715 7.376 8.263 1.00 . A A . 2 LEU HB2 1 1
5 270 1 1 2 LEU HB3 H 6.445 8.539 6.965 1.00 . A A . 2 LEU HB3 1 1
5 271 1 1 2 LEU HD11 H 3.749 8.003 10.188 1.00 . A A . 2 LEU HD11 1 1
5 272 1 1 2 LEU HD12 H 5.477 8.101 10.520 1.00 . A A . 2 LEU HD12 1 1
5 273 1 1 2 LEU HD13 H 4.830 6.734 9.613 1.00 . A A . 2 LEU HD13 1 1
5 274 1 1 2 LEU HD21 H 6.530 9.963 8.852 1.00 . A A . 2 LEU HD21 1 1
5 275 1 1 2 LEU HD22 H 5.054 10.293 9.759 1.00 . A A . 2 LEU HD22 1 1
5 276 1 1 2 LEU HD23 H 5.127 10.651 8.035 1.00 . A A . 2 LEU HD23 1 1
5 277 1 1 2 LEU HG H 4.003 8.626 7.962 1.00 . A A . 2 LEU HG 1 1
5 278 1 1 2 LEU N N 6.177 5.629 6.575 1.00 . A A . 2 LEU N 1 1
5 279 1 1 2 LEU O O 5.269 8.416 5.078 1.00 . A A . 2 LEU O 1 1
5 280 1 1 3 GLY C C 4.744 6.501 2.381 1.00 . A A . 3 GLY C 1 1
5 281 1 1 3 GLY CA C 3.666 6.941 3.371 1.00 . A A . 3 GLY CA 1 1
5 282 1 1 3 GLY H H 3.813 5.661 5.038 1.00 . A A . 3 GLY H 1 1
5 283 1 1 3 GLY HA2 H 2.731 6.452 3.129 1.00 . A A . 3 GLY HA2 1 1
5 284 1 1 3 GLY HA3 H 3.533 8.019 3.320 1.00 . A A . 3 GLY HA3 1 1
5 285 1 1 3 GLY N N 4.080 6.541 4.704 1.00 . A A . 3 GLY N 1 1
5 286 1 1 3 GLY O O 4.497 6.405 1.178 1.00 . A A . 3 GLY O 1 1
5 287 1 1 4 ALA C C 6.788 4.459 1.360 1.00 . A A . 4 ALA C 1 1
5 288 1 1 4 ALA CA C 7.068 5.795 2.065 1.00 . A A . 4 ALA CA 1 1
5 289 1 1 4 ALA CB C 8.345 5.688 2.908 1.00 . A A . 4 ALA CB 1 1
5 290 1 1 4 ALA H H 6.104 6.332 3.878 1.00 . A A . 4 ALA H 1 1
5 291 1 1 4 ALA HA H 7.228 6.542 1.310 1.00 . A A . 4 ALA HA 1 1
5 292 1 1 4 ALA HB2 H 8.848 4.756 2.703 1.00 . A A . 4 ALA HB2 1 1
5 293 1 1 4 ALA HB3 H 9.001 6.502 2.648 1.00 . A A . 4 ALA HB3 1 1
5 294 1 1 4 ALA N N 5.954 6.229 2.905 1.00 . A A . 4 ALA N 1 1
5 295 1 1 4 ALA O O 7.218 4.262 0.224 1.00 . A A . 4 ALA O 1 1
5 296 1 1 5 THR C C 4.877 2.432 0.188 1.00 . A A . 5 THR C 1 1
5 297 1 1 5 THR CA C 5.773 2.252 1.410 1.00 . A A . 5 THR CA 1 1
5 298 1 1 5 THR CB C 5.078 1.344 2.426 1.00 . A A . 5 THR CB 1 1
5 299 1 1 5 THR CG2 C 3.572 1.605 2.403 1.00 . A A . 5 THR CG2 1 1
5 300 1 1 5 THR H H 5.748 3.730 2.918 1.00 . A A . 5 THR H 1 1
5 301 1 1 5 THR HA H 6.697 1.787 1.100 1.00 . A A . 5 THR HA 1 1
5 302 1 1 5 THR HB H 5.460 1.551 3.414 1.00 . A A . 5 THR HB 1 1
5 303 1 1 5 THR HG1 H 6.040 -0.034 1.448 1.00 . A A . 5 THR HG1 1 1
5 304 1 1 5 THR HG21 H 3.149 1.194 1.498 1.00 . A A . 5 THR HG21 1 1
5 305 1 1 5 THR HG22 H 3.391 2.669 2.433 1.00 . A A . 5 THR HG22 1 1
5 306 1 1 5 THR HG23 H 3.112 1.137 3.261 1.00 . A A . 5 THR HG23 1 1
5 307 1 1 5 THR N N 6.074 3.544 2.018 1.00 . A A . 5 THR N 1 1
5 308 1 1 5 THR O O 3.886 3.135 0.301 1.00 . A A . 5 THR O 1 1
5 309 1 1 5 THR OXT O 5.195 1.863 -0.844 1.00 . A A . 5 THR OXT 1 1
5 310 1 1 5 THR OG1 O 5.331 -0.014 2.095 1.00 . A A . 5 THR OG1 1 1
6 311 1 1 1 . C C 5.820 4.563 5.941 1.00 . A A . 1 DCY C 1 1
6 312 1 1 1 . CA C 6.905 3.508 5.736 1.00 . A A . 1 DCY CA 1 1
6 313 1 1 1 . CB C 8.227 4.168 5.318 1.00 . A A . 1 DCY CB 1 1
6 314 1 1 1 . H H 7.031 1.736 6.820 1.00 . A A . 1 DCY H 1 1
6 315 1 1 1 . H2 H 6.387 3.041 7.697 1.00 . A A . 1 DCY H2 1 1
6 316 1 1 1 . H3 H 8.056 2.964 7.384 1.00 . A A . 1 DCY H3 1 1
6 317 1 1 1 . HA H 6.591 2.823 4.962 1.00 . A A . 1 DCY HA 1 1
6 318 1 1 1 . HB2 H 8.697 3.570 4.556 1.00 . A A . 1 DCY HB2 1 1
6 319 1 1 1 . HB3 H 8.881 4.226 6.176 1.00 . A A . 1 DCY HB3 1 1
6 320 1 1 1 . N N 7.110 2.756 7.004 1.00 . A A . 1 DCY N 1 1
6 321 1 1 1 . O O 4.682 4.380 5.513 1.00 . A A . 1 DCY O 1 1
6 322 1 1 1 . SG S 7.914 5.847 4.690 1.00 . A A . 1 DCY SG 1 1
6 323 1 1 2 LEU C C 4.803 7.316 5.458 1.00 . A A . 2 LEU C 1 1
6 324 1 1 2 LEU CA C 5.232 6.757 6.808 1.00 . A A . 2 LEU CA 1 1
6 325 1 1 2 LEU CB C 5.881 7.866 7.640 1.00 . A A . 2 LEU CB 1 1
6 326 1 1 2 LEU CD1 C 7.455 8.351 9.517 1.00 . A A . 2 LEU CD1 1 1
6 327 1 1 2 LEU CD2 C 5.756 6.538 9.749 1.00 . A A . 2 LEU CD2 1 1
6 328 1 1 2 LEU CG C 6.697 7.249 8.775 1.00 . A A . 2 LEU CG 1 1
6 329 1 1 2 LEU H H 7.108 5.768 6.880 1.00 . A A . 2 LEU H 1 1
6 330 1 1 2 LEU HA H 4.369 6.375 7.337 1.00 . A A . 2 LEU HA 1 1
6 331 1 1 2 LEU HB2 H 6.530 8.458 7.009 1.00 . A A . 2 LEU HB2 1 1
6 332 1 1 2 LEU HB3 H 5.111 8.500 8.056 1.00 . A A . 2 LEU HB3 1 1
6 333 1 1 2 LEU HD11 H 6.846 8.723 10.328 1.00 . A A . 2 LEU HD11 1 1
6 334 1 1 2 LEU HD12 H 7.678 9.157 8.834 1.00 . A A . 2 LEU HD12 1 1
6 335 1 1 2 LEU HD13 H 8.376 7.950 9.914 1.00 . A A . 2 LEU HD13 1 1
6 336 1 1 2 LEU HD21 H 5.607 5.518 9.427 1.00 . A A . 2 LEU HD21 1 1
6 337 1 1 2 LEU HD22 H 4.805 7.051 9.771 1.00 . A A . 2 LEU HD22 1 1
6 338 1 1 2 LEU HD23 H 6.191 6.544 10.738 1.00 . A A . 2 LEU HD23 1 1
6 339 1 1 2 LEU HG H 7.401 6.538 8.368 1.00 . A A . 2 LEU HG 1 1
6 340 1 1 2 LEU N N 6.184 5.672 6.578 1.00 . A A . 2 LEU N 1 1
6 341 1 1 2 LEU O O 5.143 8.446 5.105 1.00 . A A . 2 LEU O 1 1
6 342 1 1 3 GLY C C 4.769 6.442 2.372 1.00 . A A . 3 GLY C 1 1
6 343 1 1 3 GLY CA C 3.683 6.879 3.353 1.00 . A A . 3 GLY CA 1 1
6 344 1 1 3 GLY H H 3.898 5.592 5.008 1.00 . A A . 3 GLY H 1 1
6 345 1 1 3 GLY HA2 H 2.754 6.375 3.115 1.00 . A A . 3 GLY HA2 1 1
6 346 1 1 3 GLY HA3 H 3.537 7.954 3.292 1.00 . A A . 3 GLY HA3 1 1
6 347 1 1 3 GLY N N 4.103 6.493 4.688 1.00 . A A . 3 GLY N 1 1
6 348 1 1 3 GLY O O 4.522 6.308 1.173 1.00 . A A . 3 GLY O 1 1
6 349 1 1 4 ALA C C 6.802 4.455 1.347 1.00 . A A . 4 ALA C 1 1
6 350 1 1 4 ALA CA C 7.104 5.774 2.072 1.00 . A A . 4 ALA CA 1 1
6 351 1 1 4 ALA CB C 8.360 5.620 2.940 1.00 . A A . 4 ALA CB 1 1
6 352 1 1 4 ALA H H 6.132 6.334 3.874 1.00 . A A . 4 ALA H 1 1
6 353 1 1 4 ALA HA H 7.293 6.531 1.333 1.00 . A A . 4 ALA HA 1 1
6 354 1 1 4 ALA HB2 H 8.801 4.649 2.784 1.00 . A A . 4 ALA HB2 1 1
6 355 1 1 4 ALA HB3 H 9.072 6.376 2.656 1.00 . A A . 4 ALA HB3 1 1
6 356 1 1 4 ALA N N 5.984 6.208 2.902 1.00 . A A . 4 ALA N 1 1
6 357 1 1 4 ALA O O 7.274 4.243 0.230 1.00 . A A . 4 ALA O 1 1
6 358 1 1 5 THR C C 4.939 2.522 0.036 1.00 . A A . 5 THR C 1 1
6 359 1 1 5 THR CA C 5.691 2.296 1.343 1.00 . A A . 5 THR CA 1 1
6 360 1 1 5 THR CB C 4.832 1.452 2.288 1.00 . A A . 5 THR CB 1 1
6 361 1 1 5 THR CG2 C 3.584 2.239 2.692 1.00 . A A . 5 THR CG2 1 1
6 362 1 1 5 THR H H 5.663 3.771 2.858 1.00 . A A . 5 THR H 1 1
6 363 1 1 5 THR HA H 6.605 1.762 1.133 1.00 . A A . 5 THR HA 1 1
6 364 1 1 5 THR HB H 5.400 1.208 3.172 1.00 . A A . 5 THR HB 1 1
6 365 1 1 5 THR HG1 H 3.580 0.397 1.238 1.00 . A A . 5 THR HG1 1 1
6 366 1 1 5 THR HG21 H 3.690 3.267 2.379 1.00 . A A . 5 THR HG21 1 1
6 367 1 1 5 THR HG22 H 3.464 2.199 3.765 1.00 . A A . 5 THR HG22 1 1
6 368 1 1 5 THR HG23 H 2.716 1.805 2.217 1.00 . A A . 5 THR HG23 1 1
6 369 1 1 5 THR N N 6.020 3.571 1.971 1.00 . A A . 5 THR N 1 1
6 370 1 1 5 THR O O 5.586 2.560 -0.998 1.00 . A A . 5 THR O 1 1
6 371 1 1 5 THR OXT O 3.726 2.653 0.088 1.00 . A A . 5 THR OXT 1 1
6 372 1 1 5 THR OG1 O 4.446 0.254 1.628 1.00 . A A . 5 THR OG1 1 1
7 373 1 1 1 . C C 5.838 4.559 5.884 1.00 . A A . 1 DCY C 1 1
7 374 1 1 1 . CA C 6.935 3.513 5.713 1.00 . A A . 1 DCY CA 1 1
7 375 1 1 1 . CB C 8.255 4.187 5.313 1.00 . A A . 1 DCY CB 1 1
7 376 1 1 1 . H H 7.628 1.888 6.816 1.00 . A A . 1 DCY H 1 1
7 377 1 1 1 . H2 H 6.197 2.579 7.420 1.00 . A A . 1 DCY H2 1 1
7 378 1 1 1 . H3 H 7.686 3.365 7.650 1.00 . A A . 1 DCY H3 1 1
7 379 1 1 1 . HA H 6.644 2.815 4.943 1.00 . A A . 1 DCY HA 1 1
7 380 1 1 1 . HB2 H 8.742 3.594 4.558 1.00 . A A . 1 DCY HB2 1 1
7 381 1 1 1 . HB3 H 8.896 4.252 6.180 1.00 . A A . 1 DCY HB3 1 1
7 382 1 1 1 . N N 7.125 2.781 6.997 1.00 . A A . 1 DCY N 1 1
7 383 1 1 1 . O O 4.733 4.401 5.369 1.00 . A A . 1 DCY O 1 1
7 384 1 1 1 . SG S 7.930 5.861 4.679 1.00 . A A . 1 DCY SG 1 1
7 385 1 1 2 LEU C C 4.811 7.294 5.454 1.00 . A A . 2 LEU C 1 1
7 386 1 1 2 LEU CA C 5.205 6.718 6.807 1.00 . A A . 2 LEU CA 1 1
7 387 1 1 2 LEU CB C 5.833 7.814 7.671 1.00 . A A . 2 LEU CB 1 1
7 388 1 1 2 LEU CD1 C 6.178 6.065 9.422 1.00 . A A . 2 LEU CD1 1 1
7 389 1 1 2 LEU CD2 C 6.398 8.483 10.012 1.00 . A A . 2 LEU CD2 1 1
7 390 1 1 2 LEU CG C 5.640 7.471 9.149 1.00 . A A . 2 LEU CG 1 1
7 391 1 1 2 LEU H H 7.063 5.710 6.962 1.00 . A A . 2 LEU H 1 1
7 392 1 1 2 LEU HA H 4.329 6.331 7.310 1.00 . A A . 2 LEU HA 1 1
7 393 1 1 2 LEU HB2 H 6.889 7.884 7.452 1.00 . A A . 2 LEU HB2 1 1
7 394 1 1 2 LEU HB3 H 5.357 8.759 7.457 1.00 . A A . 2 LEU HB3 1 1
7 395 1 1 2 LEU HD11 H 6.271 5.916 10.488 1.00 . A A . 2 LEU HD11 1 1
7 396 1 1 2 LEU HD12 H 7.146 5.955 8.956 1.00 . A A . 2 LEU HD12 1 1
7 397 1 1 2 LEU HD13 H 5.496 5.334 9.013 1.00 . A A . 2 LEU HD13 1 1
7 398 1 1 2 LEU HD21 H 6.039 8.428 11.029 1.00 . A A . 2 LEU HD21 1 1
7 399 1 1 2 LEU HD22 H 6.237 9.477 9.625 1.00 . A A . 2 LEU HD22 1 1
7 400 1 1 2 LEU HD23 H 7.454 8.254 9.990 1.00 . A A . 2 LEU HD23 1 1
7 401 1 1 2 LEU HG H 4.586 7.506 9.391 1.00 . A A . 2 LEU HG 1 1
7 402 1 1 2 LEU N N 6.162 5.636 6.594 1.00 . A A . 2 LEU N 1 1
7 403 1 1 2 LEU O O 5.198 8.409 5.104 1.00 . A A . 2 LEU O 1 1
7 404 1 1 3 GLY C C 4.779 6.454 2.363 1.00 . A A . 3 GLY C 1 1
7 405 1 1 3 GLY CA C 3.692 6.907 3.336 1.00 . A A . 3 GLY CA 1 1
7 406 1 1 3 GLY H H 3.839 5.606 4.988 1.00 . A A . 3 GLY H 1 1
7 407 1 1 3 GLY HA2 H 2.757 6.424 3.081 1.00 . A A . 3 GLY HA2 1 1
7 408 1 1 3 GLY HA3 H 3.569 7.985 3.282 1.00 . A A . 3 GLY HA3 1 1
7 409 1 1 3 GLY N N 4.085 6.500 4.673 1.00 . A A . 3 GLY N 1 1
7 410 1 1 3 GLY O O 4.531 6.300 1.167 1.00 . A A . 3 GLY O 1 1
7 411 1 1 4 ALA C C 6.797 4.453 1.360 1.00 . A A . 4 ALA C 1 1
7 412 1 1 4 ALA CA C 7.110 5.779 2.066 1.00 . A A . 4 ALA CA 1 1
7 413 1 1 4 ALA CB C 8.369 5.630 2.929 1.00 . A A . 4 ALA CB 1 1
7 414 1 1 4 ALA H H 6.148 6.369 3.863 1.00 . A A . 4 ALA H 1 1
7 415 1 1 4 ALA HA H 7.300 6.525 1.316 1.00 . A A . 4 ALA HA 1 1
7 416 1 1 4 ALA HB2 H 8.812 4.660 2.774 1.00 . A A . 4 ALA HB2 1 1
7 417 1 1 4 ALA HB3 H 9.079 6.387 2.641 1.00 . A A . 4 ALA HB3 1 1
7 418 1 1 4 ALA N N 5.996 6.228 2.893 1.00 . A A . 4 ALA N 1 1
7 419 1 1 4 ALA O O 7.258 4.226 0.241 1.00 . A A . 4 ALA O 1 1
7 420 1 1 5 THR C C 4.904 2.511 0.091 1.00 . A A . 5 THR C 1 1
7 421 1 1 5 THR CA C 5.674 2.298 1.391 1.00 . A A . 5 THR CA 1 1
7 422 1 1 5 THR CB C 4.826 1.467 2.357 1.00 . A A . 5 THR CB 1 1
7 423 1 1 5 THR CG2 C 4.797 0.011 1.891 1.00 . A A . 5 THR CG2 1 1
7 424 1 1 5 THR H H 5.668 3.792 2.888 1.00 . A A . 5 THR H 1 1
7 425 1 1 5 THR HA H 6.583 1.758 1.175 1.00 . A A . 5 THR HA 1 1
7 426 1 1 5 THR HB H 3.819 1.855 2.376 1.00 . A A . 5 THR HB 1 1
7 427 1 1 5 THR HG1 H 4.845 2.133 4.183 1.00 . A A . 5 THR HG1 1 1
7 428 1 1 5 THR HG21 H 3.869 -0.447 2.198 1.00 . A A . 5 THR HG21 1 1
7 429 1 1 5 THR HG22 H 5.626 -0.524 2.331 1.00 . A A . 5 THR HG22 1 1
7 430 1 1 5 THR HG23 H 4.877 -0.024 0.815 1.00 . A A . 5 THR HG23 1 1
7 431 1 1 5 THR N N 6.017 3.578 2.001 1.00 . A A . 5 THR N 1 1
7 432 1 1 5 THR O O 5.297 1.935 -0.909 1.00 . A A . 5 THR O 1 1
7 433 1 1 5 THR OXT O 3.931 3.247 0.116 1.00 . A A . 5 THR OXT 1 1
7 434 1 1 5 THR OG1 O 5.388 1.539 3.659 1.00 . A A . 5 THR OG1 1 1
8 435 1 1 1 . C C 5.810 4.569 5.876 1.00 . A A . 1 DCY C 1 1
8 436 1 1 1 . CA C 6.869 3.488 5.690 1.00 . A A . 1 DCY CA 1 1
8 437 1 1 1 . CB C 8.197 4.111 5.235 1.00 . A A . 1 DCY CB 1 1
8 438 1 1 1 . H H 6.370 2.012 7.073 1.00 . A A . 1 DCY H 1 1
8 439 1 1 1 . H2 H 6.973 3.440 7.768 1.00 . A A . 1 DCY H2 1 1
8 440 1 1 1 . H3 H 8.029 2.355 6.996 1.00 . A A . 1 DCY H3 1 1
8 441 1 1 1 . HA H 6.531 2.788 4.940 1.00 . A A . 1 DCY HA 1 1
8 442 1 1 1 . HB2 H 8.606 3.525 4.431 1.00 . A A . 1 DCY HB2 1 1
8 443 1 1 1 . HB3 H 8.890 4.110 6.064 1.00 . A A . 1 DCY HB3 1 1
8 444 1 1 1 . N N 7.076 2.769 6.979 1.00 . A A . 1 DCY N 1 1
8 445 1 1 1 . O O 4.694 4.443 5.375 1.00 . A A . 1 DCY O 1 1
8 446 1 1 1 . SG S 7.924 5.824 4.684 1.00 . A A . 1 DCY SG 1 1
8 447 1 1 2 LEU C C 4.841 7.310 5.445 1.00 . A A . 2 LEU C 1 1
8 448 1 1 2 LEU CA C 5.255 6.748 6.800 1.00 . A A . 2 LEU CA 1 1
8 449 1 1 2 LEU CB C 5.942 7.840 7.623 1.00 . A A . 2 LEU CB 1 1
8 450 1 1 2 LEU CD1 C 4.787 7.884 9.837 1.00 . A A . 2 LEU CD1 1 1
8 451 1 1 2 LEU CD2 C 5.335 10.024 8.670 1.00 . A A . 2 LEU CD2 1 1
8 452 1 1 2 LEU CG C 4.901 8.570 8.474 1.00 . A A . 2 LEU CG 1 1
8 453 1 1 2 LEU H H 7.084 5.685 6.937 1.00 . A A . 2 LEU H 1 1
8 454 1 1 2 LEU HA H 4.383 6.396 7.335 1.00 . A A . 2 LEU HA 1 1
8 455 1 1 2 LEU HB2 H 6.685 7.392 8.266 1.00 . A A . 2 LEU HB2 1 1
8 456 1 1 2 LEU HB3 H 6.417 8.546 6.958 1.00 . A A . 2 LEU HB3 1 1
8 457 1 1 2 LEU HD11 H 3.754 7.881 10.153 1.00 . A A . 2 LEU HD11 1 1
8 458 1 1 2 LEU HD12 H 5.384 8.419 10.560 1.00 . A A . 2 LEU HD12 1 1
8 459 1 1 2 LEU HD13 H 5.143 6.867 9.759 1.00 . A A . 2 LEU HD13 1 1
8 460 1 1 2 LEU HD21 H 5.113 10.589 7.776 1.00 . A A . 2 LEU HD21 1 1
8 461 1 1 2 LEU HD22 H 6.396 10.061 8.863 1.00 . A A . 2 LEU HD22 1 1
8 462 1 1 2 LEU HD23 H 4.801 10.450 9.506 1.00 . A A . 2 LEU HD23 1 1
8 463 1 1 2 LEU HG H 3.944 8.541 7.975 1.00 . A A . 2 LEU HG 1 1
8 464 1 1 2 LEU N N 6.176 5.637 6.580 1.00 . A A . 2 LEU N 1 1
8 465 1 1 2 LEU O O 5.241 8.411 5.069 1.00 . A A . 2 LEU O 1 1
8 466 1 1 3 GLY C C 4.757 6.470 2.377 1.00 . A A . 3 GLY C 1 1
8 467 1 1 3 GLY CA C 3.671 6.909 3.358 1.00 . A A . 3 GLY CA 1 1
8 468 1 1 3 GLY H H 3.827 5.634 5.028 1.00 . A A . 3 GLY H 1 1
8 469 1 1 3 GLY HA2 H 2.740 6.413 3.115 1.00 . A A . 3 GLY HA2 1 1
8 470 1 1 3 GLY HA3 H 3.532 7.986 3.300 1.00 . A A . 3 GLY HA3 1 1
8 471 1 1 3 GLY N N 4.083 6.518 4.694 1.00 . A A . 3 GLY N 1 1
8 472 1 1 3 GLY O O 4.511 6.348 1.177 1.00 . A A . 3 GLY O 1 1
8 473 1 1 4 ALA C C 6.796 4.462 1.360 1.00 . A A . 4 ALA C 1 1
8 474 1 1 4 ALA CA C 7.088 5.790 2.072 1.00 . A A . 4 ALA CA 1 1
8 475 1 1 4 ALA CB C 8.356 5.661 2.925 1.00 . A A . 4 ALA CB 1 1
8 476 1 1 4 ALA H H 6.119 6.345 3.879 1.00 . A A . 4 ALA H 1 1
8 477 1 1 4 ALA HA H 7.261 6.541 1.324 1.00 . A A . 4 ALA HA 1 1
8 478 1 1 4 ALA HB2 H 8.832 4.712 2.738 1.00 . A A . 4 ALA HB2 1 1
8 479 1 1 4 ALA HB3 H 9.037 6.451 2.655 1.00 . A A . 4 ALA HB3 1 1
8 480 1 1 4 ALA N N 5.971 6.224 2.907 1.00 . A A . 4 ALA N 1 1
8 481 1 1 4 ALA O O 7.248 4.255 0.235 1.00 . A A . 4 ALA O 1 1
8 482 1 1 5 THR C C 4.710 2.457 0.275 1.00 . A A . 5 THR C 1 1
8 483 1 1 5 THR CA C 5.733 2.279 1.392 1.00 . A A . 5 THR CA 1 1
8 484 1 1 5 THR CB C 5.180 1.319 2.448 1.00 . A A . 5 THR CB 1 1
8 485 1 1 5 THR CG2 C 6.266 0.320 2.849 1.00 . A A . 5 THR CG2 1 1
8 486 1 1 5 THR H H 5.708 3.759 2.899 1.00 . A A . 5 THR H 1 1
8 487 1 1 5 THR HA H 6.636 1.857 0.977 1.00 . A A . 5 THR HA 1 1
8 488 1 1 5 THR HB H 4.335 0.785 2.043 1.00 . A A . 5 THR HB 1 1
8 489 1 1 5 THR HG1 H 4.503 2.934 3.295 1.00 . A A . 5 THR HG1 1 1
8 490 1 1 5 THR HG21 H 6.023 -0.109 3.811 1.00 . A A . 5 THR HG21 1 1
8 491 1 1 5 THR HG22 H 7.217 0.826 2.910 1.00 . A A . 5 THR HG22 1 1
8 492 1 1 5 THR HG23 H 6.323 -0.466 2.110 1.00 . A A . 5 THR HG23 1 1
8 493 1 1 5 THR N N 6.050 3.563 2.006 1.00 . A A . 5 THR N 1 1
8 494 1 1 5 THR O O 4.053 3.484 0.258 1.00 . A A . 5 THR O 1 1
8 495 1 1 5 THR OXT O 4.600 1.563 -0.548 1.00 . A A . 5 THR OXT 1 1
8 496 1 1 5 THR OG1 O 4.771 2.060 3.589 1.00 . A A . 5 THR OG1 1 1
9 497 1 1 1 . C C 5.808 4.570 5.866 1.00 . A A . 1 DCY C 1 1
9 498 1 1 1 . CA C 6.862 3.484 5.674 1.00 . A A . 1 DCY CA 1 1
9 499 1 1 1 . CB C 8.187 4.098 5.201 1.00 . A A . 1 DCY CB 1 1
9 500 1 1 1 . H H 7.476 1.828 6.777 1.00 . A A . 1 DCY H 1 1
9 501 1 1 1 . H2 H 6.173 2.675 7.464 1.00 . A A . 1 DCY H2 1 1
9 502 1 1 1 . H3 H 7.745 3.313 7.552 1.00 . A A . 1 DCY H3 1 1
9 503 1 1 1 . HA H 6.513 2.781 4.931 1.00 . A A . 1 DCY HA 1 1
9 504 1 1 1 . HB2 H 8.573 3.517 4.381 1.00 . A A . 1 DCY HB2 1 1
9 505 1 1 1 . HB3 H 8.897 4.080 6.015 1.00 . A A . 1 DCY HB3 1 1
9 506 1 1 1 . N N 7.080 2.771 6.964 1.00 . A A . 1 DCY N 1 1
9 507 1 1 1 . O O 4.694 4.454 5.359 1.00 . A A . 1 DCY O 1 1
9 508 1 1 1 . SG S 7.923 5.819 4.674 1.00 . A A . 1 DCY SG 1 1
9 509 1 1 2 LEU C C 4.845 7.313 5.451 1.00 . A A . 2 LEU C 1 1
9 510 1 1 2 LEU CA C 5.254 6.743 6.804 1.00 . A A . 2 LEU CA 1 1
9 511 1 1 2 LEU CB C 5.938 7.831 7.635 1.00 . A A . 2 LEU CB 1 1
9 512 1 1 2 LEU CD1 C 6.843 6.249 9.345 1.00 . A A . 2 LEU CD1 1 1
9 513 1 1 2 LEU CD2 C 6.376 8.623 9.963 1.00 . A A . 2 LEU CD2 1 1
9 514 1 1 2 LEU CG C 5.910 7.438 9.113 1.00 . A A . 2 LEU CG 1 1
9 515 1 1 2 LEU H H 7.081 5.674 6.944 1.00 . A A . 2 LEU H 1 1
9 516 1 1 2 LEU HA H 4.381 6.389 7.333 1.00 . A A . 2 LEU HA 1 1
9 517 1 1 2 LEU HB2 H 6.963 7.941 7.310 1.00 . A A . 2 LEU HB2 1 1
9 518 1 1 2 LEU HB3 H 5.416 8.767 7.503 1.00 . A A . 2 LEU HB3 1 1
9 519 1 1 2 LEU HD11 H 7.808 6.458 8.907 1.00 . A A . 2 LEU HD11 1 1
9 520 1 1 2 LEU HD12 H 6.423 5.367 8.884 1.00 . A A . 2 LEU HD12 1 1
9 521 1 1 2 LEU HD13 H 6.957 6.081 10.405 1.00 . A A . 2 LEU HD13 1 1
9 522 1 1 2 LEU HD21 H 6.902 9.330 9.338 1.00 . A A . 2 LEU HD21 1 1
9 523 1 1 2 LEU HD22 H 7.035 8.270 10.741 1.00 . A A . 2 LEU HD22 1 1
9 524 1 1 2 LEU HD23 H 5.519 9.106 10.409 1.00 . A A . 2 LEU HD23 1 1
9 525 1 1 2 LEU HG H 4.903 7.166 9.394 1.00 . A A . 2 LEU HG 1 1
9 526 1 1 2 LEU N N 6.174 5.631 6.580 1.00 . A A . 2 LEU N 1 1
9 527 1 1 2 LEU O O 5.254 8.412 5.079 1.00 . A A . 2 LEU O 1 1
9 528 1 1 3 GLY C C 4.754 6.487 2.377 1.00 . A A . 3 GLY C 1 1
9 529 1 1 3 GLY CA C 3.672 6.929 3.363 1.00 . A A . 3 GLY CA 1 1
9 530 1 1 3 GLY H H 3.817 5.646 5.028 1.00 . A A . 3 GLY H 1 1
9 531 1 1 3 GLY HA2 H 2.738 6.439 3.118 1.00 . A A . 3 GLY HA2 1 1
9 532 1 1 3 GLY HA3 H 3.538 8.007 3.310 1.00 . A A . 3 GLY HA3 1 1
9 533 1 1 3 GLY N N 4.081 6.530 4.697 1.00 . A A . 3 GLY N 1 1
9 534 1 1 3 GLY O O 4.506 6.376 1.177 1.00 . A A . 3 GLY O 1 1
9 535 1 1 4 ALA C C 6.789 4.460 1.360 1.00 . A A . 4 ALA C 1 1
9 536 1 1 4 ALA CA C 7.079 5.793 2.065 1.00 . A A . 4 ALA CA 1 1
9 537 1 1 4 ALA CB C 8.353 5.676 2.912 1.00 . A A . 4 ALA CB 1 1
9 538 1 1 4 ALA H H 6.116 6.342 3.876 1.00 . A A . 4 ALA H 1 1
9 539 1 1 4 ALA HA H 7.244 6.540 1.312 1.00 . A A . 4 ALA HA 1 1
9 540 1 1 4 ALA HB2 H 8.843 4.737 2.716 1.00 . A A . 4 ALA HB2 1 1
9 541 1 1 4 ALA HB3 H 9.020 6.479 2.647 1.00 . A A . 4 ALA HB3 1 1
9 542 1 1 4 ALA N N 5.965 6.229 2.904 1.00 . A A . 4 ALA N 1 1
9 543 1 1 4 ALA O O 7.223 4.258 0.225 1.00 . A A . 4 ALA O 1 1
9 544 1 1 5 THR C C 4.800 2.449 0.226 1.00 . A A . 5 THR C 1 1
9 545 1 1 5 THR CA C 5.749 2.265 1.406 1.00 . A A . 5 THR CA 1 1
9 546 1 1 5 THR CB C 5.107 1.339 2.441 1.00 . A A . 5 THR CB 1 1
9 547 1 1 5 THR CG2 C 4.071 2.118 3.252 1.00 . A A . 5 THR CG2 1 1
9 548 1 1 5 THR H H 5.733 3.743 2.914 1.00 . A A . 5 THR H 1 1
9 549 1 1 5 THR HA H 6.663 1.812 1.053 1.00 . A A . 5 THR HA 1 1
9 550 1 1 5 THR HB H 5.867 0.959 3.106 1.00 . A A . 5 THR HB 1 1
9 551 1 1 5 THR HG1 H 3.524 0.385 1.832 1.00 . A A . 5 THR HG1 1 1
9 552 1 1 5 THR HG21 H 4.472 2.341 4.229 1.00 . A A . 5 THR HG21 1 1
9 553 1 1 5 THR HG22 H 3.175 1.523 3.359 1.00 . A A . 5 THR HG22 1 1
9 554 1 1 5 THR HG23 H 3.832 3.039 2.742 1.00 . A A . 5 THR HG23 1 1
9 555 1 1 5 THR N N 6.063 3.552 2.016 1.00 . A A . 5 THR N 1 1
9 556 1 1 5 THR O O 3.963 3.334 0.297 1.00 . A A . 5 THR O 1 1
9 557 1 1 5 THR OXT O 4.924 1.702 -0.730 1.00 . A A . 5 THR OXT 1 1
9 558 1 1 5 THR OG1 O 4.474 0.255 1.775 1.00 . A A . 5 THR OG1 1 1
10 559 1 1 1 . C C 5.835 4.561 5.816 1.00 . A A . 1 DCY C 1 1
10 560 1 1 1 . CA C 6.915 3.497 5.646 1.00 . A A . 1 DCY CA 1 1
10 561 1 1 1 . CB C 8.243 4.147 5.232 1.00 . A A . 1 DCY CB 1 1
10 562 1 1 1 . H H 7.785 3.281 7.525 1.00 . A A . 1 DCY H 1 1
10 563 1 1 1 . H2 H 7.450 1.811 6.742 1.00 . A A . 1 DCY H2 1 1
10 564 1 1 1 . H3 H 6.189 2.715 7.432 1.00 . A A . 1 DCY H3 1 1
10 565 1 1 1 . HA H 6.609 2.798 4.880 1.00 . A A . 1 DCY HA 1 1
10 566 1 1 1 . HB2 H 8.692 3.566 4.444 1.00 . A A . 1 DCY HB2 1 1
10 567 1 1 1 . HB3 H 8.909 4.164 6.084 1.00 . A A . 1 DCY HB3 1 1
10 568 1 1 1 . N N 7.098 2.771 6.933 1.00 . A A . 1 DCY N 1 1
10 569 1 1 1 . O O 4.751 4.450 5.244 1.00 . A A . 1 DCY O 1 1
10 570 1 1 1 . SG S 7.951 5.852 4.663 1.00 . A A . 1 DCY SG 1 1
10 571 1 1 2 LEU C C 4.824 7.286 5.456 1.00 . A A . 2 LEU C 1 1
10 572 1 1 2 LEU CA C 5.202 6.691 6.807 1.00 . A A . 2 LEU CA 1 1
10 573 1 1 2 LEU CB C 5.845 7.769 7.683 1.00 . A A . 2 LEU CB 1 1
10 574 1 1 2 LEU CD1 C 5.463 9.253 9.655 1.00 . A A . 2 LEU CD1 1 1
10 575 1 1 2 LEU CD2 C 3.847 9.266 7.750 1.00 . A A . 2 LEU CD2 1 1
10 576 1 1 2 LEU CG C 4.784 8.392 8.590 1.00 . A A . 2 LEU CG 1 1
10 577 1 1 2 LEU H H 7.031 5.636 7.006 1.00 . A A . 2 LEU H 1 1
10 578 1 1 2 LEU HA H 4.318 6.314 7.301 1.00 . A A . 2 LEU HA 1 1
10 579 1 1 2 LEU HB2 H 6.621 7.323 8.289 1.00 . A A . 2 LEU HB2 1 1
10 580 1 1 2 LEU HB3 H 6.274 8.535 7.055 1.00 . A A . 2 LEU HB3 1 1
10 581 1 1 2 LEU HD11 H 4.713 9.715 10.279 1.00 . A A . 2 LEU HD11 1 1
10 582 1 1 2 LEU HD12 H 6.055 10.020 9.176 1.00 . A A . 2 LEU HD12 1 1
10 583 1 1 2 LEU HD13 H 6.105 8.632 10.264 1.00 . A A . 2 LEU HD13 1 1
10 584 1 1 2 LEU HD21 H 3.372 8.658 6.993 1.00 . A A . 2 LEU HD21 1 1
10 585 1 1 2 LEU HD22 H 4.417 10.051 7.277 1.00 . A A . 2 LEU HD22 1 1
10 586 1 1 2 LEU HD23 H 3.093 9.701 8.389 1.00 . A A . 2 LEU HD23 1 1
10 587 1 1 2 LEU HG H 4.214 7.609 9.071 1.00 . A A . 2 LEU HG 1 1
10 588 1 1 2 LEU N N 6.147 5.598 6.590 1.00 . A A . 2 LEU N 1 1
10 589 1 1 2 LEU O O 5.247 8.389 5.110 1.00 . A A . 2 LEU O 1 1
10 590 1 1 3 GLY C C 4.775 6.484 2.362 1.00 . A A . 3 GLY C 1 1
10 591 1 1 3 GLY CA C 3.693 6.950 3.338 1.00 . A A . 3 GLY CA 1 1
10 592 1 1 3 GLY H H 3.796 5.635 4.980 1.00 . A A . 3 GLY H 1 1
10 593 1 1 3 GLY HA2 H 2.748 6.491 3.074 1.00 . A A . 3 GLY HA2 1 1
10 594 1 1 3 GLY HA3 H 3.592 8.032 3.296 1.00 . A A . 3 GLY HA3 1 1
10 595 1 1 3 GLY N N 4.071 6.523 4.672 1.00 . A A . 3 GLY N 1 1
10 596 1 1 3 GLY O O 4.518 6.323 1.170 1.00 . A A . 3 GLY O 1 1
10 597 1 1 4 ALA C C 6.790 4.453 1.377 1.00 . A A . 4 ALA C 1 1
10 598 1 1 4 ALA CA C 7.101 5.797 2.054 1.00 . A A . 4 ALA CA 1 1
10 599 1 1 4 ALA CB C 8.375 5.676 2.902 1.00 . A A . 4 ALA CB 1 1
10 600 1 1 4 ALA H H 6.154 6.405 3.853 1.00 . A A . 4 ALA H 1 1
10 601 1 1 4 ALA HA H 7.274 6.530 1.286 1.00 . A A . 4 ALA HA 1 1
10 602 1 1 4 ALA HB2 H 8.850 4.726 2.721 1.00 . A A . 4 ALA HB2 1 1
10 603 1 1 4 ALA HB3 H 9.054 6.465 2.624 1.00 . A A . 4 ALA HB3 1 1
10 604 1 1 4 ALA N N 5.994 6.258 2.887 1.00 . A A . 4 ALA N 1 1
10 605 1 1 4 ALA O O 7.228 4.216 0.250 1.00 . A A . 4 ALA O 1 1
10 606 1 1 5 THR C C 4.316 2.317 0.844 1.00 . A A . 5 THR C 1 1
10 607 1 1 5 THR CA C 5.706 2.279 1.469 1.00 . A A . 5 THR CA 1 1
10 608 1 1 5 THR CB C 5.752 1.189 2.544 1.00 . A A . 5 THR CB 1 1
10 609 1 1 5 THR CG2 C 7.208 0.825 2.841 1.00 . A A . 5 THR CG2 1 1
10 610 1 1 5 THR H H 5.711 3.795 2.940 1.00 . A A . 5 THR H 1 1
10 611 1 1 5 THR HA H 6.428 2.043 0.704 1.00 . A A . 5 THR HA 1 1
10 612 1 1 5 THR HB H 5.233 0.312 2.189 1.00 . A A . 5 THR HB 1 1
10 613 1 1 5 THR HG1 H 5.685 1.425 4.473 1.00 . A A . 5 THR HG1 1 1
10 614 1 1 5 THR HG21 H 7.863 1.539 2.365 1.00 . A A . 5 THR HG21 1 1
10 615 1 1 5 THR HG22 H 7.416 -0.164 2.461 1.00 . A A . 5 THR HG22 1 1
10 616 1 1 5 THR HG23 H 7.373 0.841 3.909 1.00 . A A . 5 THR HG23 1 1
10 617 1 1 5 THR N N 6.041 3.575 2.050 1.00 . A A . 5 THR N 1 1
10 618 1 1 5 THR O O 3.351 2.269 1.591 1.00 . A A . 5 THR O 1 1
10 619 1 1 5 THR OXT O 4.234 2.391 -0.371 1.00 . A A . 5 THR OXT 1 1
10 620 1 1 5 THR OG1 O 5.127 1.663 3.728 1.00 . A A . 5 THR OG1 1 1
11 621 1 1 1 . C C 5.834 4.565 5.809 1.00 . A A . 1 DCY C 1 1
11 622 1 1 1 . CA C 6.912 3.499 5.633 1.00 . A A . 1 DCY CA 1 1
11 623 1 1 1 . CB C 8.234 4.139 5.185 1.00 . A A . 1 DCY CB 1 1
11 624 1 1 1 . H H 7.906 2.113 6.827 1.00 . A A . 1 DCY H 1 1
11 625 1 1 1 . H2 H 6.253 2.275 7.182 1.00 . A A . 1 DCY H2 1 1
11 626 1 1 1 . H3 H 7.350 3.478 7.668 1.00 . A A . 1 DCY H3 1 1
11 627 1 1 1 . HA H 6.589 2.792 4.884 1.00 . A A . 1 DCY HA 1 1
11 628 1 1 1 . HB2 H 8.654 3.558 4.382 1.00 . A A . 1 DCY HB2 1 1
11 629 1 1 1 . HB3 H 8.924 4.144 6.018 1.00 . A A . 1 DCY HB3 1 1
11 630 1 1 1 . N N 7.121 2.788 6.925 1.00 . A A . 1 DCY N 1 1
11 631 1 1 1 . O O 4.754 4.464 5.230 1.00 . A A . 1 DCY O 1 1
11 632 1 1 1 . SG S 7.948 5.849 4.636 1.00 . A A . 1 DCY SG 1 1
11 633 1 1 2 LEU C C 4.819 7.297 5.478 1.00 . A A . 2 LEU C 1 1
11 634 1 1 2 LEU CA C 5.192 6.681 6.823 1.00 . A A . 2 LEU CA 1 1
11 635 1 1 2 LEU CB C 5.822 7.749 7.721 1.00 . A A . 2 LEU CB 1 1
11 636 1 1 2 LEU CD1 C 6.746 8.187 10.000 1.00 . A A . 2 LEU CD1 1 1
11 637 1 1 2 LEU CD2 C 4.489 7.148 9.747 1.00 . A A . 2 LEU CD2 1 1
11 638 1 1 2 LEU CG C 5.899 7.231 9.158 1.00 . A A . 2 LEU CG 1 1
11 639 1 1 2 LEU H H 7.021 5.625 7.024 1.00 . A A . 2 LEU H 1 1
11 640 1 1 2 LEU HA H 4.306 6.293 7.308 1.00 . A A . 2 LEU HA 1 1
11 641 1 1 2 LEU HB2 H 6.817 7.977 7.365 1.00 . A A . 2 LEU HB2 1 1
11 642 1 1 2 LEU HB3 H 5.218 8.643 7.696 1.00 . A A . 2 LEU HB3 1 1
11 643 1 1 2 LEU HD11 H 6.306 8.291 10.981 1.00 . A A . 2 LEU HD11 1 1
11 644 1 1 2 LEU HD12 H 6.786 9.152 9.518 1.00 . A A . 2 LEU HD12 1 1
11 645 1 1 2 LEU HD13 H 7.747 7.791 10.096 1.00 . A A . 2 LEU HD13 1 1
11 646 1 1 2 LEU HD21 H 3.831 7.806 9.199 1.00 . A A . 2 LEU HD21 1 1
11 647 1 1 2 LEU HD22 H 4.514 7.447 10.785 1.00 . A A . 2 LEU HD22 1 1
11 648 1 1 2 LEU HD23 H 4.126 6.133 9.674 1.00 . A A . 2 LEU HD23 1 1
11 649 1 1 2 LEU HG H 6.353 6.250 9.163 1.00 . A A . 2 LEU HG 1 1
11 650 1 1 2 LEU N N 6.141 5.593 6.599 1.00 . A A . 2 LEU N 1 1
11 651 1 1 2 LEU O O 5.234 8.411 5.158 1.00 . A A . 2 LEU O 1 1
11 652 1 1 3 GLY C C 4.771 6.525 2.358 1.00 . A A . 3 GLY C 1 1
11 653 1 1 3 GLY CA C 3.700 6.989 3.345 1.00 . A A . 3 GLY CA 1 1
11 654 1 1 3 GLY H H 3.804 5.647 4.968 1.00 . A A . 3 GLY H 1 1
11 655 1 1 3 GLY HA2 H 2.749 6.545 3.081 1.00 . A A . 3 GLY HA2 1 1
11 656 1 1 3 GLY HA3 H 3.610 8.073 3.317 1.00 . A A . 3 GLY HA3 1 1
11 657 1 1 3 GLY N N 4.075 6.542 4.675 1.00 . A A . 3 GLY N 1 1
11 658 1 1 3 GLY O O 4.515 6.408 1.160 1.00 . A A . 3 GLY O 1 1
11 659 1 1 4 ALA C C 6.777 4.445 1.363 1.00 . A A . 4 ALA C 1 1
11 660 1 1 4 ALA CA C 7.083 5.792 2.036 1.00 . A A . 4 ALA CA 1 1
11 661 1 1 4 ALA CB C 8.364 5.685 2.873 1.00 . A A . 4 ALA CB 1 1
11 662 1 1 4 ALA H H 6.142 6.370 3.849 1.00 . A A . 4 ALA H 1 1
11 663 1 1 4 ALA HA H 7.245 6.523 1.265 1.00 . A A . 4 ALA HA 1 1
11 664 1 1 4 ALA HB2 H 8.852 4.743 2.684 1.00 . A A . 4 ALA HB2 1 1
11 665 1 1 4 ALA HB3 H 9.028 6.484 2.593 1.00 . A A . 4 ALA HB3 1 1
11 666 1 1 4 ALA N N 5.982 6.253 2.878 1.00 . A A . 4 ALA N 1 1
11 667 1 1 4 ALA O O 7.188 4.218 0.225 1.00 . A A . 4 ALA O 1 1
11 668 1 1 5 THR C C 4.581 2.385 0.481 1.00 . A A . 5 THR C 1 1
11 669 1 1 5 THR CA C 5.729 2.252 1.475 1.00 . A A . 5 THR CA 1 1
11 670 1 1 5 THR CB C 5.336 1.274 2.585 1.00 . A A . 5 THR CB 1 1
11 671 1 1 5 THR CG2 C 6.563 0.471 3.021 1.00 . A A . 5 THR CG2 1 1
11 672 1 1 5 THR H H 5.747 3.762 2.951 1.00 . A A . 5 THR H 1 1
11 673 1 1 5 THR HA H 6.596 1.866 0.961 1.00 . A A . 5 THR HA 1 1
11 674 1 1 5 THR HB H 4.581 0.596 2.217 1.00 . A A . 5 THR HB 1 1
11 675 1 1 5 THR HG1 H 5.193 1.620 4.493 1.00 . A A . 5 THR HG1 1 1
11 676 1 1 5 THR HG21 H 6.257 -0.310 3.703 1.00 . A A . 5 THR HG21 1 1
11 677 1 1 5 THR HG22 H 7.264 1.126 3.516 1.00 . A A . 5 THR HG22 1 1
11 678 1 1 5 THR HG23 H 7.032 0.030 2.154 1.00 . A A . 5 THR HG23 1 1
11 679 1 1 5 THR N N 6.059 3.551 2.051 1.00 . A A . 5 THR N 1 1
11 680 1 1 5 THR O O 3.950 3.428 0.470 1.00 . A A . 5 THR O 1 1
11 681 1 1 5 THR OXT O 4.349 1.440 -0.255 1.00 . A A . 5 THR OXT 1 1
11 682 1 1 5 THR OG1 O 4.822 1.999 3.694 1.00 . A A . 5 THR OG1 1 1
12 683 1 1 1 . C C 5.811 4.571 5.882 1.00 . A A . 1 DCY C 1 1
12 684 1 1 1 . CA C 6.869 3.489 5.696 1.00 . A A . 1 DCY CA 1 1
12 685 1 1 1 . CB C 8.195 4.108 5.234 1.00 . A A . 1 DCY CB 1 1
12 686 1 1 1 . H H 7.620 1.903 6.815 1.00 . A A . 1 DCY H 1 1
12 687 1 1 1 . H2 H 6.158 2.537 7.405 1.00 . A A . 1 DCY H2 1 1
12 688 1 1 1 . H3 H 7.612 3.386 7.638 1.00 . A A . 1 DCY H3 1 1
12 689 1 1 1 . HA H 6.527 2.787 4.948 1.00 . A A . 1 DCY HA 1 1
12 690 1 1 1 . HB2 H 8.599 3.520 4.427 1.00 . A A . 1 DCY HB2 1 1
12 691 1 1 1 . HB3 H 8.893 4.106 6.059 1.00 . A A . 1 DCY HB3 1 1
12 692 1 1 1 . N N 7.080 2.774 6.985 1.00 . A A . 1 DCY N 1 1
12 693 1 1 1 . O O 4.693 4.443 5.386 1.00 . A A . 1 DCY O 1 1
12 694 1 1 1 . SG S 7.926 5.821 4.683 1.00 . A A . 1 DCY SG 1 1
12 695 1 1 2 LEU C C 4.841 7.311 5.445 1.00 . A A . 2 LEU C 1 1
12 696 1 1 2 LEU CA C 5.255 6.753 6.801 1.00 . A A . 2 LEU CA 1 1
12 697 1 1 2 LEU CB C 5.938 7.849 7.623 1.00 . A A . 2 LEU CB 1 1
12 698 1 1 2 LEU CD1 C 7.088 8.352 9.786 1.00 . A A . 2 LEU CD1 1 1
12 699 1 1 2 LEU CD2 C 5.000 6.976 9.765 1.00 . A A . 2 LEU CD2 1 1
12 700 1 1 2 LEU CG C 6.289 7.303 9.007 1.00 . A A . 2 LEU CG 1 1
12 701 1 1 2 LEU H H 7.087 5.693 6.936 1.00 . A A . 2 LEU H 1 1
12 702 1 1 2 LEU HA H 4.384 6.400 7.335 1.00 . A A . 2 LEU HA 1 1
12 703 1 1 2 LEU HB2 H 6.841 8.165 7.120 1.00 . A A . 2 LEU HB2 1 1
12 704 1 1 2 LEU HB3 H 5.269 8.690 7.728 1.00 . A A . 2 LEU HB3 1 1
12 705 1 1 2 LEU HD11 H 7.280 9.204 9.151 1.00 . A A . 2 LEU HD11 1 1
12 706 1 1 2 LEU HD12 H 8.026 7.924 10.107 1.00 . A A . 2 LEU HD12 1 1
12 707 1 1 2 LEU HD13 H 6.522 8.668 10.650 1.00 . A A . 2 LEU HD13 1 1
12 708 1 1 2 LEU HD21 H 5.112 7.254 10.803 1.00 . A A . 2 LEU HD21 1 1
12 709 1 1 2 LEU HD22 H 4.801 5.917 9.697 1.00 . A A . 2 LEU HD22 1 1
12 710 1 1 2 LEU HD23 H 4.178 7.525 9.332 1.00 . A A . 2 LEU HD23 1 1
12 711 1 1 2 LEU HG H 6.883 6.407 8.900 1.00 . A A . 2 LEU HG 1 1
12 712 1 1 2 LEU N N 6.178 5.642 6.582 1.00 . A A . 2 LEU N 1 1
12 713 1 1 2 LEU O O 5.239 8.412 5.066 1.00 . A A . 2 LEU O 1 1
12 714 1 1 3 GLY C C 4.759 6.461 2.379 1.00 . A A . 3 GLY C 1 1
12 715 1 1 3 GLY CA C 3.672 6.901 3.360 1.00 . A A . 3 GLY CA 1 1
12 716 1 1 3 GLY H H 3.831 5.633 5.034 1.00 . A A . 3 GLY H 1 1
12 717 1 1 3 GLY HA2 H 2.743 6.400 3.119 1.00 . A A . 3 GLY HA2 1 1
12 718 1 1 3 GLY HA3 H 3.529 7.977 3.298 1.00 . A A . 3 GLY HA3 1 1
12 719 1 1 3 GLY N N 4.085 6.515 4.697 1.00 . A A . 3 GLY N 1 1
12 720 1 1 3 GLY O O 4.510 6.329 1.181 1.00 . A A . 3 GLY O 1 1
12 721 1 1 4 ALA C C 6.794 4.464 1.357 1.00 . A A . 4 ALA C 1 1
12 722 1 1 4 ALA CA C 7.091 5.790 2.072 1.00 . A A . 4 ALA CA 1 1
12 723 1 1 4 ALA CB C 8.359 5.657 2.925 1.00 . A A . 4 ALA CB 1 1
12 724 1 1 4 ALA H H 6.125 6.350 3.878 1.00 . A A . 4 ALA H 1 1
12 725 1 1 4 ALA HA H 7.264 6.541 1.326 1.00 . A A . 4 ALA HA 1 1
12 726 1 1 4 ALA HB2 H 8.834 4.708 2.738 1.00 . A A . 4 ALA HB2 1 1
12 727 1 1 4 ALA HB3 H 9.041 6.445 2.656 1.00 . A A . 4 ALA HB3 1 1
12 728 1 1 4 ALA N N 5.974 6.224 2.907 1.00 . A A . 4 ALA N 1 1
12 729 1 1 4 ALA O O 7.234 4.263 0.225 1.00 . A A . 4 ALA O 1 1
12 730 1 1 5 THR C C 4.665 2.463 0.306 1.00 . A A . 5 THR C 1 1
12 731 1 1 5 THR CA C 5.729 2.282 1.384 1.00 . A A . 5 THR CA 1 1
12 732 1 1 5 THR CB C 5.223 1.302 2.446 1.00 . A A . 5 THR CB 1 1
12 733 1 1 5 THR CG2 C 6.399 0.815 3.293 1.00 . A A . 5 THR CG2 1 1
12 734 1 1 5 THR H H 5.717 3.754 2.901 1.00 . A A . 5 THR H 1 1
12 735 1 1 5 THR HA H 6.621 1.875 0.933 1.00 . A A . 5 THR HA 1 1
12 736 1 1 5 THR HB H 4.758 0.456 1.963 1.00 . A A . 5 THR HB 1 1
12 737 1 1 5 THR HG1 H 4.036 1.352 3.985 1.00 . A A . 5 THR HG1 1 1
12 738 1 1 5 THR HG21 H 7.210 1.525 3.224 1.00 . A A . 5 THR HG21 1 1
12 739 1 1 5 THR HG22 H 6.730 -0.146 2.930 1.00 . A A . 5 THR HG22 1 1
12 740 1 1 5 THR HG23 H 6.087 0.723 4.323 1.00 . A A . 5 THR HG23 1 1
12 741 1 1 5 THR N N 6.052 3.562 2.004 1.00 . A A . 5 THR N 1 1
12 742 1 1 5 THR O O 4.386 3.599 -0.037 1.00 . A A . 5 THR O 1 1
12 743 1 1 5 THR OXT O 4.145 1.462 -0.159 1.00 . A A . 5 THR OXT 1 1
12 744 1 1 5 THR OG1 O 4.275 1.955 3.278 1.00 . A A . 5 THR OG1 1 1
13 745 1 1 1 . C C 5.815 4.571 5.887 1.00 . A A . 1 DCY C 1 1
13 746 1 1 1 . CA C 6.880 3.496 5.700 1.00 . A A . 1 DCY CA 1 1
13 747 1 1 1 . CB C 8.207 4.131 5.261 1.00 . A A . 1 DCY CB 1 1
13 748 1 1 1 . H H 7.491 3.416 7.689 1.00 . A A . 1 DCY H 1 1
13 749 1 1 1 . H2 H 7.729 1.969 6.833 1.00 . A A . 1 DCY H2 1 1
13 750 1 1 1 . H3 H 6.168 2.416 7.332 1.00 . A A . 1 DCY H3 1 1
13 751 1 1 1 . HA H 6.552 2.800 4.943 1.00 . A A . 1 DCY HA 1 1
13 752 1 1 1 . HB2 H 8.638 3.540 4.470 1.00 . A A . 1 DCY HB2 1 1
13 753 1 1 1 . HB3 H 8.887 4.148 6.101 1.00 . A A . 1 DCY HB3 1 1
13 754 1 1 1 . N N 7.082 2.770 6.986 1.00 . A A . 1 DCY N 1 1
13 755 1 1 1 . O O 4.698 4.438 5.390 1.00 . A A . 1 DCY O 1 1
13 756 1 1 1 . SG S 7.923 5.833 4.686 1.00 . A A . 1 DCY SG 1 1
13 757 1 1 2 LEU C C 4.837 7.308 5.445 1.00 . A A . 2 LEU C 1 1
13 758 1 1 2 LEU CA C 5.247 6.749 6.802 1.00 . A A . 2 LEU CA 1 1
13 759 1 1 2 LEU CB C 5.919 7.846 7.632 1.00 . A A . 2 LEU CB 1 1
13 760 1 1 2 LEU CD1 C 3.851 8.147 8.999 1.00 . A A . 2 LEU CD1 1 1
13 761 1 1 2 LEU CD2 C 5.558 6.450 9.675 1.00 . A A . 2 LEU CD2 1 1
13 762 1 1 2 LEU CG C 5.347 7.834 9.051 1.00 . A A . 2 LEU CG 1 1
13 763 1 1 2 LEU H H 7.085 5.700 6.938 1.00 . A A . 2 LEU H 1 1
13 764 1 1 2 LEU HA H 4.374 6.389 7.330 1.00 . A A . 2 LEU HA 1 1
13 765 1 1 2 LEU HB2 H 6.984 7.668 7.671 1.00 . A A . 2 LEU HB2 1 1
13 766 1 1 2 LEU HB3 H 5.731 8.807 7.180 1.00 . A A . 2 LEU HB3 1 1
13 767 1 1 2 LEU HD11 H 3.287 7.228 9.055 1.00 . A A . 2 LEU HD11 1 1
13 768 1 1 2 LEU HD12 H 3.621 8.656 8.075 1.00 . A A . 2 LEU HD12 1 1
13 769 1 1 2 LEU HD13 H 3.588 8.782 9.833 1.00 . A A . 2 LEU HD13 1 1
13 770 1 1 2 LEU HD21 H 6.236 6.532 10.512 1.00 . A A . 2 LEU HD21 1 1
13 771 1 1 2 LEU HD22 H 5.977 5.781 8.936 1.00 . A A . 2 LEU HD22 1 1
13 772 1 1 2 LEU HD23 H 4.611 6.059 10.017 1.00 . A A . 2 LEU HD23 1 1
13 773 1 1 2 LEU HG H 5.851 8.580 9.648 1.00 . A A . 2 LEU HG 1 1
13 774 1 1 2 LEU N N 6.176 5.644 6.584 1.00 . A A . 2 LEU N 1 1
13 775 1 1 2 LEU O O 5.236 8.410 5.067 1.00 . A A . 2 LEU O 1 1
13 776 1 1 3 GLY C C 4.763 6.460 2.377 1.00 . A A . 3 GLY C 1 1
13 777 1 1 3 GLY CA C 3.675 6.900 3.357 1.00 . A A . 3 GLY CA 1 1
13 778 1 1 3 GLY H H 3.828 5.629 5.030 1.00 . A A . 3 GLY H 1 1
13 779 1 1 3 GLY HA2 H 2.746 6.400 3.112 1.00 . A A . 3 GLY HA2 1 1
13 780 1 1 3 GLY HA3 H 3.532 7.975 3.296 1.00 . A A . 3 GLY HA3 1 1
13 781 1 1 3 GLY N N 4.083 6.512 4.694 1.00 . A A . 3 GLY N 1 1
13 782 1 1 3 GLY O O 4.517 6.331 1.177 1.00 . A A . 3 GLY O 1 1
13 783 1 1 4 ALA C C 6.799 4.460 1.358 1.00 . A A . 4 ALA C 1 1
13 784 1 1 4 ALA CA C 7.095 5.786 2.074 1.00 . A A . 4 ALA CA 1 1
13 785 1 1 4 ALA CB C 8.360 5.651 2.929 1.00 . A A . 4 ALA CB 1 1
13 786 1 1 4 ALA H H 6.127 6.345 3.878 1.00 . A A . 4 ALA H 1 1
13 787 1 1 4 ALA HA H 7.271 6.539 1.327 1.00 . A A . 4 ALA HA 1 1
13 788 1 1 4 ALA HB2 H 8.827 4.695 2.751 1.00 . A A . 4 ALA HB2 1 1
13 789 1 1 4 ALA HB3 H 9.049 6.430 2.655 1.00 . A A . 4 ALA HB3 1 1
13 790 1 1 4 ALA N N 5.977 6.221 2.907 1.00 . A A . 4 ALA N 1 1
13 791 1 1 4 ALA O O 7.254 4.252 0.233 1.00 . A A . 4 ALA O 1 1
13 792 1 1 5 THR C C 4.933 2.494 0.089 1.00 . A A . 5 THR C 1 1
13 793 1 1 5 THR CA C 5.719 2.283 1.380 1.00 . A A . 5 THR CA 1 1
13 794 1 1 5 THR CB C 4.894 1.430 2.347 1.00 . A A . 5 THR CB 1 1
13 795 1 1 5 THR CG2 C 5.803 0.414 3.039 1.00 . A A . 5 THR CG2 1 1
13 796 1 1 5 THR H H 5.697 3.763 2.890 1.00 . A A . 5 THR H 1 1
13 797 1 1 5 THR HA H 6.635 1.763 1.151 1.00 . A A . 5 THR HA 1 1
13 798 1 1 5 THR HB H 4.126 0.906 1.799 1.00 . A A . 5 THR HB 1 1
13 799 1 1 5 THR HG1 H 3.820 2.969 2.859 1.00 . A A . 5 THR HG1 1 1
13 800 1 1 5 THR HG21 H 5.249 -0.096 3.813 1.00 . A A . 5 THR HG21 1 1
13 801 1 1 5 THR HG22 H 6.647 0.926 3.478 1.00 . A A . 5 THR HG22 1 1
13 802 1 1 5 THR HG23 H 6.155 -0.305 2.315 1.00 . A A . 5 THR HG23 1 1
13 803 1 1 5 THR N N 6.041 3.565 1.997 1.00 . A A . 5 THR N 1 1
13 804 1 1 5 THR O O 3.715 2.528 0.159 1.00 . A A . 5 THR O 1 1
13 805 1 1 5 THR OXT O 5.560 2.617 -0.950 1.00 . A A . 5 THR OXT 1 1
13 806 1 1 5 THR OG1 O 4.290 2.271 3.320 1.00 . A A . 5 THR OG1 1 1
14 807 1 1 1 . C C 5.829 4.568 5.840 1.00 . A A . 1 DCY C 1 1
14 808 1 1 1 . CA C 6.900 3.496 5.659 1.00 . A A . 1 DCY CA 1 1
14 809 1 1 1 . CB C 8.220 4.122 5.191 1.00 . A A . 1 DCY CB 1 1
14 810 1 1 1 . H H 6.400 2.054 7.076 1.00 . A A . 1 DCY H 1 1
14 811 1 1 1 . H2 H 7.050 3.479 7.736 1.00 . A A . 1 DCY H2 1 1
14 812 1 1 1 . H3 H 8.064 2.360 6.958 1.00 . A A . 1 DCY H3 1 1
14 813 1 1 1 . HA H 6.564 2.785 4.919 1.00 . A A . 1 DCY HA 1 1
14 814 1 1 1 . HB2 H 8.622 3.538 4.382 1.00 . A A . 1 DCY HB2 1 1
14 815 1 1 1 . HB3 H 8.924 4.122 6.012 1.00 . A A . 1 DCY HB3 1 1
14 816 1 1 1 . N N 7.120 2.794 6.955 1.00 . A A . 1 DCY N 1 1
14 817 1 1 1 . O O 4.736 4.456 5.286 1.00 . A A . 1 DCY O 1 1
14 818 1 1 1 . SG S 7.941 5.834 4.644 1.00 . A A . 1 DCY SG 1 1
14 819 1 1 2 LEU C C 4.826 7.303 5.469 1.00 . A A . 2 LEU C 1 1
14 820 1 1 2 LEU CA C 5.211 6.707 6.819 1.00 . A A . 2 LEU CA 1 1
14 821 1 1 2 LEU CB C 5.851 7.789 7.694 1.00 . A A . 2 LEU CB 1 1
14 822 1 1 2 LEU CD1 C 8.007 9.033 7.904 1.00 . A A . 2 LEU CD1 1 1
14 823 1 1 2 LEU CD2 C 7.852 6.662 8.674 1.00 . A A . 2 LEU CD2 1 1
14 824 1 1 2 LEU CG C 7.375 7.668 7.625 1.00 . A A . 2 LEU CG 1 1
14 825 1 1 2 LEU H H 7.044 5.653 7.001 1.00 . A A . 2 LEU H 1 1
14 826 1 1 2 LEU HA H 4.329 6.328 7.317 1.00 . A A . 2 LEU HA 1 1
14 827 1 1 2 LEU HB2 H 5.551 8.764 7.338 1.00 . A A . 2 LEU HB2 1 1
14 828 1 1 2 LEU HB3 H 5.529 7.663 8.716 1.00 . A A . 2 LEU HB3 1 1
14 829 1 1 2 LEU HD11 H 7.296 9.662 8.419 1.00 . A A . 2 LEU HD11 1 1
14 830 1 1 2 LEU HD12 H 8.287 9.497 6.970 1.00 . A A . 2 LEU HD12 1 1
14 831 1 1 2 LEU HD13 H 8.886 8.904 8.520 1.00 . A A . 2 LEU HD13 1 1
14 832 1 1 2 LEU HD21 H 7.952 7.156 9.629 1.00 . A A . 2 LEU HD21 1 1
14 833 1 1 2 LEU HD22 H 8.809 6.258 8.376 1.00 . A A . 2 LEU HD22 1 1
14 834 1 1 2 LEU HD23 H 7.134 5.860 8.756 1.00 . A A . 2 LEU HD23 1 1
14 835 1 1 2 LEU HG H 7.665 7.333 6.642 1.00 . A A . 2 LEU HG 1 1
14 836 1 1 2 LEU N N 6.155 5.613 6.598 1.00 . A A . 2 LEU N 1 1
14 837 1 1 2 LEU O O 5.230 8.414 5.129 1.00 . A A . 2 LEU O 1 1
14 838 1 1 3 GLY C C 4.768 6.495 2.364 1.00 . A A . 3 GLY C 1 1
14 839 1 1 3 GLY CA C 3.692 6.954 3.349 1.00 . A A . 3 GLY CA 1 1
14 840 1 1 3 GLY H H 3.819 5.639 4.991 1.00 . A A . 3 GLY H 1 1
14 841 1 1 3 GLY HA2 H 2.748 6.489 3.094 1.00 . A A . 3 GLY HA2 1 1
14 842 1 1 3 GLY HA3 H 3.584 8.034 3.307 1.00 . A A . 3 GLY HA3 1 1
14 843 1 1 3 GLY N N 4.082 6.530 4.683 1.00 . A A . 3 GLY N 1 1
14 844 1 1 3 GLY O O 4.511 6.361 1.168 1.00 . A A . 3 GLY O 1 1
14 845 1 1 4 ALA C C 6.783 4.451 1.358 1.00 . A A . 4 ALA C 1 1
14 846 1 1 4 ALA CA C 7.089 5.790 2.043 1.00 . A A . 4 ALA CA 1 1
14 847 1 1 4 ALA CB C 8.365 5.674 2.883 1.00 . A A . 4 ALA CB 1 1
14 848 1 1 4 ALA H H 6.144 6.371 3.854 1.00 . A A . 4 ALA H 1 1
14 849 1 1 4 ALA HA H 7.254 6.527 1.280 1.00 . A A . 4 ALA HA 1 1
14 850 1 1 4 ALA HB2 H 8.848 4.729 2.694 1.00 . A A . 4 ALA HB2 1 1
14 851 1 1 4 ALA HB3 H 9.036 6.471 2.609 1.00 . A A . 4 ALA HB3 1 1
14 852 1 1 4 ALA N N 5.984 6.243 2.885 1.00 . A A . 4 ALA N 1 1
14 853 1 1 4 ALA O O 7.208 4.229 0.223 1.00 . A A . 4 ALA O 1 1
14 854 1 1 5 THR C C 4.898 2.450 0.174 1.00 . A A . 5 THR C 1 1
14 855 1 1 5 THR CA C 5.725 2.267 1.442 1.00 . A A . 5 THR CA 1 1
14 856 1 1 5 THR CB C 4.941 1.419 2.445 1.00 . A A . 5 THR CB 1 1
14 857 1 1 5 THR CG2 C 3.635 2.128 2.807 1.00 . A A . 5 THR CG2 1 1
14 858 1 1 5 THR H H 5.731 3.767 2.929 1.00 . A A . 5 THR H 1 1
14 859 1 1 5 THR HA H 6.640 1.753 1.192 1.00 . A A . 5 THR HA 1 1
14 860 1 1 5 THR HB H 5.530 1.280 3.339 1.00 . A A . 5 THR HB 1 1
14 861 1 1 5 THR HG1 H 4.843 0.206 0.929 1.00 . A A . 5 THR HG1 1 1
14 862 1 1 5 THR HG21 H 3.166 2.501 1.909 1.00 . A A . 5 THR HG21 1 1
14 863 1 1 5 THR HG22 H 3.845 2.953 3.472 1.00 . A A . 5 THR HG22 1 1
14 864 1 1 5 THR HG23 H 2.970 1.431 3.298 1.00 . A A . 5 THR HG23 1 1
14 865 1 1 5 THR N N 6.053 3.559 2.031 1.00 . A A . 5 THR N 1 1
14 866 1 1 5 THR O O 4.187 3.438 0.091 1.00 . A A . 5 THR O 1 1
14 867 1 1 5 THR OXT O 4.987 1.600 -0.696 1.00 . A A . 5 THR OXT 1 1
14 868 1 1 5 THR OG1 O 4.650 0.154 1.868 1.00 . A A . 5 THR OG1 1 1
15 869 1 1 1 . C C 5.812 4.577 5.861 1.00 . A A . 1 DCY C 1 1
15 870 1 1 1 . CA C 6.859 3.483 5.669 1.00 . A A . 1 DCY CA 1 1
15 871 1 1 1 . CB C 8.175 4.072 5.145 1.00 . A A . 1 DCY CB 1 1
15 872 1 1 1 . H H 8.122 2.837 7.193 1.00 . A A . 1 DCY H 1 1
15 873 1 1 1 . H2 H 6.803 1.806 6.904 1.00 . A A . 1 DCY H2 1 1
15 874 1 1 1 . H3 H 6.573 3.278 7.722 1.00 . A A . 1 DCY H3 1 1
15 875 1 1 1 . HA H 6.485 2.767 4.951 1.00 . A A . 1 DCY HA 1 1
15 876 1 1 1 . HB2 H 8.507 3.492 4.300 1.00 . A A . 1 DCY HB2 1 1
15 877 1 1 1 . HB3 H 8.920 4.023 5.925 1.00 . A A . 1 DCY HB3 1 1
15 878 1 1 1 . N N 7.108 2.800 6.969 1.00 . A A . 1 DCY N 1 1
15 879 1 1 1 . O O 4.703 4.475 5.343 1.00 . A A . 1 DCY O 1 1
15 880 1 1 1 . SG S 7.934 5.805 4.652 1.00 . A A . 1 DCY SG 1 1
15 881 1 1 2 LEU C C 4.858 7.312 5.457 1.00 . A A . 2 LEU C 1 1
15 882 1 1 2 LEU CA C 5.249 6.740 6.817 1.00 . A A . 2 LEU CA 1 1
15 883 1 1 2 LEU CB C 5.926 7.822 7.674 1.00 . A A . 2 LEU CB 1 1
15 884 1 1 2 LEU CD1 C 4.318 9.681 7.135 1.00 . A A . 2 LEU CD1 1 1
15 885 1 1 2 LEU CD2 C 3.749 8.044 8.937 1.00 . A A . 2 LEU CD2 1 1
15 886 1 1 2 LEU CG C 4.891 8.805 8.253 1.00 . A A . 2 LEU CG 1 1
15 887 1 1 2 LEU H H 7.076 5.666 6.971 1.00 . A A . 2 LEU H 1 1
15 888 1 1 2 LEU HA H 4.372 6.373 7.328 1.00 . A A . 2 LEU HA 1 1
15 889 1 1 2 LEU HB2 H 6.457 7.349 8.487 1.00 . A A . 2 LEU HB2 1 1
15 890 1 1 2 LEU HB3 H 6.631 8.368 7.062 1.00 . A A . 2 LEU HB3 1 1
15 891 1 1 2 LEU HD11 H 3.627 9.102 6.541 1.00 . A A . 2 LEU HD11 1 1
15 892 1 1 2 LEU HD12 H 5.122 10.041 6.510 1.00 . A A . 2 LEU HD12 1 1
15 893 1 1 2 LEU HD13 H 3.798 10.522 7.571 1.00 . A A . 2 LEU HD13 1 1
15 894 1 1 2 LEU HD21 H 4.132 7.135 9.376 1.00 . A A . 2 LEU HD21 1 1
15 895 1 1 2 LEU HD22 H 2.987 7.802 8.210 1.00 . A A . 2 LEU HD22 1 1
15 896 1 1 2 LEU HD23 H 3.318 8.664 9.712 1.00 . A A . 2 LEU HD23 1 1
15 897 1 1 2 LEU HG H 5.380 9.442 8.978 1.00 . A A . 2 LEU HG 1 1
15 898 1 1 2 LEU N N 6.174 5.630 6.594 1.00 . A A . 2 LEU N 1 1
15 899 1 1 2 LEU O O 5.296 8.396 5.079 1.00 . A A . 2 LEU O 1 1
15 900 1 1 3 GLY C C 4.752 6.507 2.380 1.00 . A A . 3 GLY C 1 1
15 901 1 1 3 GLY CA C 3.677 6.956 3.368 1.00 . A A . 3 GLY CA 1 1
15 902 1 1 3 GLY H H 3.784 5.672 5.038 1.00 . A A . 3 GLY H 1 1
15 903 1 1 3 GLY HA2 H 2.736 6.483 3.117 1.00 . A A . 3 GLY HA2 1 1
15 904 1 1 3 GLY HA3 H 3.559 8.035 3.322 1.00 . A A . 3 GLY HA3 1 1
15 905 1 1 3 GLY N N 4.073 6.546 4.705 1.00 . A A . 3 GLY N 1 1
15 906 1 1 3 GLY O O 4.502 6.414 1.178 1.00 . A A . 3 GLY O 1 1
15 907 1 1 4 ALA C C 6.770 4.455 1.350 1.00 . A A . 4 ALA C 1 1
15 908 1 1 4 ALA CA C 7.064 5.790 2.053 1.00 . A A . 4 ALA CA 1 1
15 909 1 1 4 ALA CB C 8.349 5.684 2.887 1.00 . A A . 4 ALA CB 1 1
15 910 1 1 4 ALA H H 6.114 6.330 3.873 1.00 . A A . 4 ALA H 1 1
15 911 1 1 4 ALA HA H 7.219 6.534 1.297 1.00 . A A . 4 ALA HA 1 1
15 912 1 1 4 ALA HB2 H 8.852 4.755 2.677 1.00 . A A . 4 ALA HB2 1 1
15 913 1 1 4 ALA HB3 H 9.000 6.500 2.622 1.00 . A A . 4 ALA HB3 1 1
15 914 1 1 4 ALA N N 5.959 6.227 2.902 1.00 . A A . 4 ALA N 1 1
15 915 1 1 4 ALA O O 7.168 4.268 0.199 1.00 . A A . 4 ALA O 1 1
15 916 1 1 5 THR C C 4.850 2.438 0.202 1.00 . A A . 5 THR C 1 1
15 917 1 1 5 THR CA C 5.767 2.245 1.406 1.00 . A A . 5 THR CA 1 1
15 918 1 1 5 THR CB C 5.090 1.323 2.424 1.00 . A A . 5 THR CB 1 1
15 919 1 1 5 THR CG2 C 3.748 1.923 2.845 1.00 . A A . 5 THR CG2 1 1
15 920 1 1 5 THR H H 5.774 3.709 2.932 1.00 . A A . 5 THR H 1 1
15 921 1 1 5 THR HA H 6.685 1.784 1.075 1.00 . A A . 5 THR HA 1 1
15 922 1 1 5 THR HB H 5.722 1.218 3.292 1.00 . A A . 5 THR HB 1 1
15 923 1 1 5 THR HG1 H 5.140 0.100 0.912 1.00 . A A . 5 THR HG1 1 1
15 924 1 1 5 THR HG21 H 2.945 1.322 2.445 1.00 . A A . 5 THR HG21 1 1
15 925 1 1 5 THR HG22 H 3.669 2.930 2.463 1.00 . A A . 5 THR HG22 1 1
15 926 1 1 5 THR HG23 H 3.684 1.939 3.922 1.00 . A A . 5 THR HG23 1 1
15 927 1 1 5 THR N N 6.079 3.531 2.022 1.00 . A A . 5 THR N 1 1
15 928 1 1 5 THR O O 4.816 3.541 -0.319 1.00 . A A . 5 THR O 1 1
15 929 1 1 5 THR OXT O 4.195 1.483 -0.180 1.00 . A A . 5 THR OXT 1 1
15 930 1 1 5 THR OG1 O 4.876 0.049 1.834 1.00 . A A . 5 THR OG1 1 1
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