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- PDB-4um3: Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex ... -

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Basic information

Entry
Database: PDB / ID: 4um3
TitleEngineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920
Components(ACETYLCHOLINE BINDING ...) x 3
KeywordsSIGNALING PROTEIN / NICOTINIC ACETYLCHOLINE RECEPTOR / ION CHANNEL / RECEPTOR STOICHIOMETRY / CYS-LOOP RECEPTOR
Function / homology
Function and homology information


excitatory extracellular ligand-gated monoatomic ion channel activity / synaptic cleft / transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential / transmembrane signaling receptor activity / postsynapse / neuron projection / membrane
Similarity search - Function
Acetylcholine Binding Protein; Chain: A, / Neurotransmitter-gated ion-channel ligand-binding domain / Neurotransmitter-gated ion-channel / Neurotransmitter-gated ion-channel ligand-binding domain / Neurotransmitter-gated ion-channel ligand-binding domain superfamily / Neurotransmitter-gated ion-channel ligand binding domain / Distorted Sandwich / Ig-like domain profile. / Immunoglobulin-like domain / Mainly Beta
Similarity search - Domain/homology
1-(6-bromopyridin-3-yl)-1,4-diazepane / Acetylcholine-binding protein
Similarity search - Component
Biological speciesLYMNAEA STAGNALIS (great pond snail)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.703 Å
AuthorsShahsavar, A. / Kastrup, J.S. / Balle, T. / Gajhede, M.
CitationJournal: Mol.Pharmacol. / Year: 2015
Title: Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Authors: Shahsavar, A. / Ahring, P.K. / Olsen, J.A. / Krintel, C. / Kastrup, J.S. / Balle, T. / Gajhede, M.
History
DepositionMay 14, 2014Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 22, 2015Provider: repository / Type: Initial release
Revision 1.1Jul 29, 2015Group: Database references
Revision 1.2Sep 2, 2015Group: Database references
Revision 2.0Nov 15, 2017Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations
Category: atom_site / diffrn_source ...atom_site / diffrn_source / pdbx_struct_assembly_gen / pdbx_struct_sheet_hbond / pdbx_validate_close_contact / struct_conf / struct_conn / struct_sheet / struct_sheet_order / struct_sheet_range / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.occupancy / _atom_site.type_symbol / _diffrn_source.pdbx_synchrotron_site / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conf.pdbx_PDB_helix_id / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr2_auth_seq_id / _struct_sheet.id / _struct_sheet_order.sense / _struct_sheet_order.sheet_id / _struct_sheet_range.sheet_id / _struct_site.details / _struct_site.id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id / _struct_site.pdbx_num_residues / _struct_site_gen.auth_asym_id / _struct_site_gen.auth_comp_id / _struct_site_gen.auth_seq_id / _struct_site_gen.label_asym_id / _struct_site_gen.label_comp_id / _struct_site_gen.label_seq_id / _struct_site_gen.pdbx_num_res / _struct_site_gen.site_id
Revision 2.1Jul 29, 2020Group: Data collection / Derived calculations ...Data collection / Derived calculations / Other / Structure summary
Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_database_status / pdbx_entity_nonpoly / struct_conn / struct_site / struct_site_gen
Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_database_status.status_code_sf / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_role
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.2Jan 10, 2024Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.3Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: ACETYLCHOLINE BINDING PROTEIN
B: ACETYLCHOLINE BINDING PROTEIN
C: ACETYLCHOLINE BINDING PROTEIN
D: ACETYLCHOLINE BINDING PROTEIN
E: ACETYLCHOLINE BINDING PROTEIN
F: ACETYLCHOLINE BINDING PROTEIN
G: ACETYLCHOLINE BINDING PROTEIN
H: ACETYLCHOLINE BINDING PROTEIN
I: ACETYLCHOLINE BINDING PROTEIN
J: ACETYLCHOLINE BINDING PROTEIN
K: ACETYLCHOLINE BINDING PROTEIN
L: ACETYLCHOLINE BINDING PROTEIN
M: ACETYLCHOLINE BINDING PROTEIN
N: ACETYLCHOLINE BINDING PROTEIN
O: ACETYLCHOLINE BINDING PROTEIN
P: ACETYLCHOLINE BINDING PROTEIN
Q: ACETYLCHOLINE BINDING PROTEIN
R: ACETYLCHOLINE BINDING PROTEIN
S: ACETYLCHOLINE BINDING PROTEIN
T: ACETYLCHOLINE BINDING PROTEIN
U: ACETYLCHOLINE BINDING PROTEIN
V: ACETYLCHOLINE BINDING PROTEIN
W: ACETYLCHOLINE BINDING PROTEIN
X: ACETYLCHOLINE BINDING PROTEIN
Y: ACETYLCHOLINE BINDING PROTEIN
Z: ACETYLCHOLINE BINDING PROTEIN
a: ACETYLCHOLINE BINDING PROTEIN
b: ACETYLCHOLINE BINDING PROTEIN
c: ACETYLCHOLINE BINDING PROTEIN
d: ACETYLCHOLINE BINDING PROTEIN
e: ACETYLCHOLINE BINDING PROTEIN
f: ACETYLCHOLINE BINDING PROTEIN
g: ACETYLCHOLINE BINDING PROTEIN
h: ACETYLCHOLINE BINDING PROTEIN
i: ACETYLCHOLINE BINDING PROTEIN
j: ACETYLCHOLINE BINDING PROTEIN
k: ACETYLCHOLINE BINDING PROTEIN
l: ACETYLCHOLINE BINDING PROTEIN
m: ACETYLCHOLINE BINDING PROTEIN
n: ACETYLCHOLINE BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,053,01584
Polymers1,042,01040
Non-polymers11,00544
Water15,061836
1
P: ACETYLCHOLINE BINDING PROTEIN
Q: ACETYLCHOLINE BINDING PROTEIN
R: ACETYLCHOLINE BINDING PROTEIN
S: ACETYLCHOLINE BINDING PROTEIN
T: ACETYLCHOLINE BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,43010
Polymers130,1505
Non-polymers1,2815
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13890 Å2
ΔGint-37.2 kcal/mol
Surface area40020 Å2
MethodPISA
2
U: ACETYLCHOLINE BINDING PROTEIN
V: ACETYLCHOLINE BINDING PROTEIN
W: ACETYLCHOLINE BINDING PROTEIN
X: ACETYLCHOLINE BINDING PROTEIN
Y: ACETYLCHOLINE BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,64211
Polymers130,2665
Non-polymers1,3776
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14220 Å2
ΔGint-49 kcal/mol
Surface area39700 Å2
MethodPISA
3
K: ACETYLCHOLINE BINDING PROTEIN
L: ACETYLCHOLINE BINDING PROTEIN
M: ACETYLCHOLINE BINDING PROTEIN
N: ACETYLCHOLINE BINDING PROTEIN
O: ACETYLCHOLINE BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,76811
Polymers130,2665
Non-polymers1,5026
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13900 Å2
ΔGint-34 kcal/mol
Surface area39250 Å2
MethodPISA
4
j: ACETYLCHOLINE BINDING PROTEIN
k: ACETYLCHOLINE BINDING PROTEIN
l: ACETYLCHOLINE BINDING PROTEIN
m: ACETYLCHOLINE BINDING PROTEIN
n: ACETYLCHOLINE BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,54610
Polymers130,2665
Non-polymers1,2815
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13810 Å2
ΔGint-37.6 kcal/mol
Surface area40370 Å2
MethodPISA
5
e: ACETYLCHOLINE BINDING PROTEIN
f: ACETYLCHOLINE BINDING PROTEIN
g: ACETYLCHOLINE BINDING PROTEIN
h: ACETYLCHOLINE BINDING PROTEIN
i: ACETYLCHOLINE BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,54610
Polymers130,2665
Non-polymers1,2815
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13830 Å2
ΔGint-35.6 kcal/mol
Surface area39700 Å2
MethodPISA
6
Z: ACETYLCHOLINE BINDING PROTEIN
a: ACETYLCHOLINE BINDING PROTEIN
b: ACETYLCHOLINE BINDING PROTEIN
c: ACETYLCHOLINE BINDING PROTEIN
d: ACETYLCHOLINE BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,76811
Polymers130,2665
Non-polymers1,5026
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14000 Å2
ΔGint-33.3 kcal/mol
Surface area40210 Å2
MethodPISA
7
A: ACETYLCHOLINE BINDING PROTEIN
B: ACETYLCHOLINE BINDING PROTEIN
C: ACETYLCHOLINE BINDING PROTEIN
D: ACETYLCHOLINE BINDING PROTEIN
E: ACETYLCHOLINE BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,76811
Polymers130,2665
Non-polymers1,5026
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14160 Å2
ΔGint-34.6 kcal/mol
Surface area40290 Å2
MethodPISA
8
F: ACETYLCHOLINE BINDING PROTEIN
G: ACETYLCHOLINE BINDING PROTEIN
H: ACETYLCHOLINE BINDING PROTEIN
I: ACETYLCHOLINE BINDING PROTEIN
J: ACETYLCHOLINE BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,54610
Polymers130,2665
Non-polymers1,2815
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13910 Å2
ΔGint-34.6 kcal/mol
Surface area39860 Å2
MethodPISA
Unit cell
Length a, b, c (Å)135.490, 145.418, 234.906
Angle α, β, γ (deg.)90.00, 101.29, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
51
61
71
81
91
101
111
121
131
141
151
161
171
181
191
201
211
221
231
241
251
261
271
281
291
301
311
321
331
341
351
361
371
381
391
401

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection details
111CHAIN A AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
211CHAIN B AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
311CHAIN C AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
411CHAIN D AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
511CHAIN E AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
611CHAIN F AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
711CHAIN G AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
811CHAIN H AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
911CHAIN I AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1011CHAIN J AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1111CHAIN K AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1211CHAIN L AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1311CHAIN M AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1411CHAIN N AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1511CHAIN O AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1611CHAIN P AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1711CHAIN Q AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1811CHAIN R AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
1911CHAIN S AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2011CHAIN T AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2111CHAIN U AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2211CHAIN V AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2311CHAIN W AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2411CHAIN X AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2511CHAIN Y AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2611CHAIN Z AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2711CHAIN a AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2811CHAIN b AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
2911CHAIN c AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3011CHAIN d AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3111CHAIN e AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3211CHAIN f AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3311CHAIN g AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3411CHAIN h AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3511CHAIN i AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3611CHAIN j AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3711CHAIN k AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3811CHAIN l AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
3911CHAIN m AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...
4011CHAIN n AND (RESSEQ 1:21 OR RESSEQ 26:39 OR RESSEQ...

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Components

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ACETYLCHOLINE BINDING ... , 3 types, 40 molecules ABCDEFGHIJKLMNOQRTUVWXYZabcdef...

#1: Protein ...
ACETYLCHOLINE BINDING PROTEIN / ACH-BINDING PROTEIN / ACHBP / ACETYLCHOLINE BINDING PROTEIN


Mass: 26053.143 Da / Num. of mol.: 38 / Mutation: YES
Source method: isolated from a genetically manipulated source
Details: 1-(6-BROMOPYRIDIN-3-YL)-1,4-DIAZEPANE (NS3920) BINDS AT THE INTERFACE OF EACH TWO MONOMERS
Source: (gene. exp.) LYMNAEA STAGNALIS (great pond snail) / Plasmid: PFASTBAC / Cell line (production host): SF9 / Production host: SPODOPTERA FRUGIPERDA (fall armyworm) / References: UniProt: P58154
#2: Protein ACETYLCHOLINE BINDING PROTEIN / ACH-BINDING PROTEIN / ACHBP / ACETYLCHOLINE BINDING PROTEIN


Mass: 25938.053 Da / Num. of mol.: 1 / Mutation: YES
Source method: isolated from a genetically manipulated source
Details: 1-(6-BROMOPYRIDIN-3-YL)-1,4-DIAZEPANE (NS3920) BINDS AT THE INTERFACE OF EACH TWO MONOMERS
Source: (gene. exp.) LYMNAEA STAGNALIS (great pond snail) / Plasmid: PFASTBAC / Cell line (production host): SF9 / Production host: SPODOPTERA FRUGIPERDA (fall armyworm) / References: UniProt: P58154
#3: Protein ACETYLCHOLINE BINDING PROTEIN / ACH-BINDING PROTEIN / ACHBP / ACETYLCHOLINE BINDING PROTEIN


Mass: 26052.158 Da / Num. of mol.: 1 / Mutation: YES
Source method: isolated from a genetically manipulated source
Details: 1-(6-BROMOPYRIDIN-3-YL)-1,4-DIAZEPANE (NS3920) BINDS AT THE INTERFACE OF EACH TWO MONOMERS
Source: (gene. exp.) LYMNAEA STAGNALIS (great pond snail) / Plasmid: PFASTBAC / Cell line (production host): SF9 / Production host: SPODOPTERA FRUGIPERDA (fall armyworm) / References: UniProt: P58154

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Sugars , 1 types, 3 molecules

#5: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 3 types, 877 molecules

#4: Chemical...
ChemComp-09R / 1-(6-bromopyridin-3-yl)-1,4-diazepane


Mass: 256.142 Da / Num. of mol.: 40 / Source method: obtained synthetically / Formula: C10H14BrN3
#6: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO4
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 836 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.52 Å3/Da / Density % sol: 51.25 % / Description: NONE
Crystal growpH: 8
Details: 0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: MAX II / Beamline: I911-3 / Wavelength: 1
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Details: MIRRORS
RadiationMonochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.7→30.07 Å / Num. obs: 242584 / % possible obs: 99.3 % / Observed criterion σ(I): 0 / Redundancy: 3.8 % / Biso Wilson estimate: 44.79 Å2 / Rmerge(I) obs: 0.08 / Net I/σ(I): 15.6
Reflection shellResolution: 2.7→2.85 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.48 / Mean I/σ(I) obs: 2.9 / % possible all: 96.4

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Processing

Software
NameVersionClassification
PHENIX(PHENIX.REFINE)refinement
XDSdata reduction
SCALAdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3U8M
Resolution: 2.703→30.071 Å / SU ML: 0.37 / σ(F): 0 / Phase error: 24.82 / Stereochemistry target values: ML / Details: NUMBER OF TLS GROUPS IS 304
RfactorNum. reflection% reflection
Rfree0.244 4882 2 %
Rwork0.1981 --
obs0.199 242584 99.46 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 46 Å2
Refinement stepCycle: LAST / Resolution: 2.703→30.071 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms63211 0 607 836 64654
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00965741
X-RAY DIFFRACTIONf_angle_d1.10489566
X-RAY DIFFRACTIONf_dihedral_angle_d13.97623664
X-RAY DIFFRACTIONf_chiral_restr0.06510191
X-RAY DIFFRACTIONf_plane_restr0.00511475
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDTypeRms dev position (Å)
11A1426X-RAY DIFFRACTIONPOSITIONAL
12B1426X-RAY DIFFRACTIONPOSITIONAL0.07
13C1434X-RAY DIFFRACTIONPOSITIONAL0.07
14D1420X-RAY DIFFRACTIONPOSITIONAL0.071
15E1448X-RAY DIFFRACTIONPOSITIONAL0.064
16F1434X-RAY DIFFRACTIONPOSITIONAL0.059
17G1434X-RAY DIFFRACTIONPOSITIONAL0.066
18H1434X-RAY DIFFRACTIONPOSITIONAL0.065
19I1434X-RAY DIFFRACTIONPOSITIONAL0.067
110J1434X-RAY DIFFRACTIONPOSITIONAL0.068
111K1434X-RAY DIFFRACTIONPOSITIONAL0.058
112L1426X-RAY DIFFRACTIONPOSITIONAL0.065
113M1434X-RAY DIFFRACTIONPOSITIONAL0.063
114N1429X-RAY DIFFRACTIONPOSITIONAL0.066
115O1434X-RAY DIFFRACTIONPOSITIONAL0.06
116P1434X-RAY DIFFRACTIONPOSITIONAL0.05
117Q1440X-RAY DIFFRACTIONPOSITIONAL0.067
118R1434X-RAY DIFFRACTIONPOSITIONAL0.067
119S1426X-RAY DIFFRACTIONPOSITIONAL0.069
120T1422X-RAY DIFFRACTIONPOSITIONAL0.066
121U1434X-RAY DIFFRACTIONPOSITIONAL0.06
122V1426X-RAY DIFFRACTIONPOSITIONAL0.072
123W1426X-RAY DIFFRACTIONPOSITIONAL0.066
124X1434X-RAY DIFFRACTIONPOSITIONAL0.065
125Y1434X-RAY DIFFRACTIONPOSITIONAL0.055
126Z1434X-RAY DIFFRACTIONPOSITIONAL0.055
127A1420X-RAY DIFFRACTIONPOSITIONAL0.066
128B1448X-RAY DIFFRACTIONPOSITIONAL0.066
129C1429X-RAY DIFFRACTIONPOSITIONAL0.068
130D1434X-RAY DIFFRACTIONPOSITIONAL0.059
131E1434X-RAY DIFFRACTIONPOSITIONAL0.054
132F1420X-RAY DIFFRACTIONPOSITIONAL0.065
133G1434X-RAY DIFFRACTIONPOSITIONAL0.063
134H1434X-RAY DIFFRACTIONPOSITIONAL0.063
135I1434X-RAY DIFFRACTIONPOSITIONAL0.059
136J1426X-RAY DIFFRACTIONPOSITIONAL0.059
137K1426X-RAY DIFFRACTIONPOSITIONAL0.063
138L1434X-RAY DIFFRACTIONPOSITIONAL0.064
139M1428X-RAY DIFFRACTIONPOSITIONAL0.064
140N1426X-RAY DIFFRACTIONPOSITIONAL0.052
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7027-2.73340.30211460.24986687X-RAY DIFFRACTION85
2.7334-2.76550.35721970.26237935X-RAY DIFFRACTION100
2.7655-2.79920.33581660.26447917X-RAY DIFFRACTION100
2.7992-2.83460.35281470.26287897X-RAY DIFFRACTION100
2.8346-2.87190.32461460.25687989X-RAY DIFFRACTION100
2.8719-2.91120.32841410.25267928X-RAY DIFFRACTION100
2.9112-2.95270.35371510.24777970X-RAY DIFFRACTION100
2.9527-2.99680.26881530.23457913X-RAY DIFFRACTION100
2.9968-3.04360.3191630.22737942X-RAY DIFFRACTION100
3.0436-3.09340.29191400.22077989X-RAY DIFFRACTION100
3.0934-3.14670.30341510.21617957X-RAY DIFFRACTION100
3.1467-3.20390.26341710.21537906X-RAY DIFFRACTION100
3.2039-3.26540.25341790.20697928X-RAY DIFFRACTION100
3.2654-3.3320.27431580.20627946X-RAY DIFFRACTION100
3.332-3.40430.26391650.19787953X-RAY DIFFRACTION100
3.4043-3.48340.26491790.19227960X-RAY DIFFRACTION100
3.4834-3.57040.23841630.19237929X-RAY DIFFRACTION100
3.5704-3.66680.26691830.19797974X-RAY DIFFRACTION100
3.6668-3.77450.24711780.18957905X-RAY DIFFRACTION100
3.7745-3.8960.20981510.18787997X-RAY DIFFRACTION100
3.896-4.0350.23681510.17937954X-RAY DIFFRACTION100
4.035-4.19610.22031650.17167961X-RAY DIFFRACTION100
4.1961-4.38650.20341850.16087986X-RAY DIFFRACTION100
4.3865-4.6170.19281540.16187963X-RAY DIFFRACTION100
4.617-4.90510.1881680.16437962X-RAY DIFFRACTION100
4.9051-5.2820.19571680.16768005X-RAY DIFFRACTION100
5.282-5.81010.22461650.18278012X-RAY DIFFRACTION100
5.8101-6.64290.25781720.20498024X-RAY DIFFRACTION100
6.6429-8.33970.18971400.20088079X-RAY DIFFRACTION100
8.3397-30.07320.23051860.22068134X-RAY DIFFRACTION100
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.0086-0.00680.00290.0092-0.00140.016-0.1079-0.08360.17660.04270.1020.01720.0101-0.08780.00010.395-0.01040.07910.263-0.04960.2702-22.890410.6184-108.6227
2-0.001-0.00310.00190.0052-0.0190.0615-0.055-0.0229-0.0021-0.0611-0.06520.06910.040.0292-0.14640.30680.146-0.02270.0593-0.09230.1441-18.7933-7.9334-102.4577
30.05110.06110.03640.45570.10910.05490.127-0.1489-0.0350.2717-0.0816-0.00850.1408-0.1407-0.00860.1125-0.00350.0080.2364-0.03970.1561-24.15680.7851-77.5129
40.0015-0.00410.00470.00590.00080.01470.02840.0673-0.0283-0.04340.0612-0.1050.09170.20990.00010.2934-0.1540.03530.2869-0.03260.2172-13.02998.3111-105.7351
50.20790.0526-0.10690.1356-0.12110.35160.03950.1347-0.1357-0.1419-0.0332-0.0680.11740.0533-0.06480.1107-0.0050.01280.12230.06260.2289-25.26832.5922-89.0638
60.20530.0038-0.17770.19680.09360.41070.0269-0.0203-0.050.0151-0.1139-0.13940.07550.139-0.11990.21180.09520.00890.06410.04660.2953-21.5326-8.2226-77.4641
70.00680.0092-0.0080.0256-0.00510.0072-0.04350.0488-0.01790.0336-0.1439-0.02220.08620.1377-0.00020.2637-0.10.04040.3887-0.00480.2873-19.35299.3053-72.0716
80.32340.0352-0.25670.08250.03140.27980.0924-0.0892-0.1353-0.147-0.06390.05540.15770.20190.01480.3430.1336-0.11590.314-0.0350.2243-19.147-10.439-78.3587
90.06470.0753-0.09750.0843-0.11010.14450.0625-0.1415-0.0570.1388-0.1598-0.07040.05070.1987-0.06810.15660.0109-0.0580.2177-0.01430.1518-20.6227-2.2975-70.5556
100.0454-0.0042-0.02510.0336-0.00880.01380.02870.16830.2075-0.0710.11620.0451-0.0112-0.0670.00070.2971-0.0177-0.01090.2537-0.02270.1698-36.8852-16.0721-107.2835
110.81630.06520.48760.11410.10120.319-0.0933-0.24410.0248-0.0565-0.0013-0.02930.0452-0.111-0.06260.19240.06820.04520.0480.04240.1748-41.6214-16.4892-79.5127
120.0029-0.00270.0050.0085-0.00220.0128-0.02530.0408-0.0589-0.13290.03530.08960.09270.06530.00010.3230.03580.06690.1802-0.02670.3487-28.5304-22.1843-107.3172
130.05750.04880.10120.16340.24310.3919-0.0451-0.0121-0.1625-0.1214-0.1393-0.00320.1903-0.0141-0.0770.20020.05160.08350.05420.06790.2027-39.4728-13.5752-90.4948
140.1503-0.0638-0.02590.07530.00970.00570.0203-0.2981-0.26440.0438-0.1798-0.00220.18150.016-0.04140.2513-0.09530.07960.1977-0.02020.1903-49.2354-21.7965-80.5999
150.0971-0.0106-0.12330.03330.04130.13580.1101-0.0966-0.1568-0.0605-0.12670.01070.1581-0.07050.00010.29920.01820.01380.20160.05550.2109-44.3823-22.3498-77.7147
160.0743-0.00940.03230.0007-0.00560.0137-0.20090.03150.04820.06410.0029-0.08680.07850.06480.00020.49540.0487-0.01420.1616-0.0290.2273-52.1265-12.6973-112.1097
170.0763-0.00910.07180.13880.07260.11-0.0538-0.04990.058-0.0352-0.1637-0.15490.0096-0.0671-0.00720.50030.17880.00760.3090.05510.2949-67.4655-0.2892-108.6427
180.08760.0158-0.01210.0109-0.00410.0172-0.033-0.1871-0.09240.1267-0.0341-0.05570.0002-0.106700.32840.03940.01070.2775-0.01320.1852-63.6369-5.4762-82.4094
190.00950.00860.0050.0841-0.05180.0453-0.01350.04850.002-0.0056-0.05490.06180.1045-0.06950.02430.1989-0.02560.11770.187-0.0740.3792-61.8688-16.644-111.5547
200.0361-0.0327-0.02260.0452-0.01590.0527-0.03390.01470.02380.07240.05670.12080.0357-0.0420.01020.06810.00070.02890.08710.02040.1555-58.977-5.4086-93.0578
210.0776-0.03870.05590.0387-0.09020.2444-0.0068-0.024-0.02310.02960.00920.06740.0151-0.01150.00430.78550.08020.05060.1795-0.06490.3473-70.7435-4.0503-66.7757
220.0417-0.01040.0170.0266-0.00390.0043-0.1726-0.0507-0.04910.0587-0.0115-0.0667-0.0047-0.01360.00010.24170.1056-0.02220.2198-0.06560.2088-70.93192.3768-91.6176
230.03350.04320.00030.0514-0.0054-0.0008-0.18470.0652-0.01990.02570.02150.21520.19570.0234-0.0060.6237-0.10360.1120.3631-0.03540.2703-63.752-15.4579-77.3484
240.0145-0.0192-0.01980.00980.01060.02140.04750.14230.04120.0224-0.0760.1690.0892-0.0873-0.00010.26340.09050.01050.30530.01990.1866-73.8180.8322-85.2882
250.23970.22060.00990.3048-0.01620.02740.0122-0.13680.14880.05360.0380.11590.0893-0.02960.02020.23220.04330.11740.2798-0.06090.1661-69.8341-4.6584-77.5745
260.0028-0.00580.0120.0179-0.00540.0285-0.02060.1734-0.021-0.0720.11540.0197-0.0441-0.11100.36630.05210.04240.32920.08410.3452-56.3818.0478-110.1881
270.47890.2602-0.02360.1625-0.00850.01460.1777-0.11110.0505-0.0729-0.16620.0445-0.11670.0194-0.0220.22180.13110.04720.1954-0.09980.1727-59.615618.7005-82.0483
280.0039-0.00540.00180.0188-0.01810.02160.04980.2243-0.0231-0.17640.0390.3035-0.0413-0.29730.00060.6640.1556-0.11910.5107-0.12830.4293-66.531417.2348-112.4635
290.57970.3738-0.31340.2505-0.18640.1670.2029-0.20270.1629-0.0649-0.13870.034-0.2933-0.07480.02490.21350.11120.03830.15010.01790.21-56.993115.6733-92.8728
300.31730.06420.13020.31430.04370.12290.0934-0.08590.2807-0.1353-0.19090.1497-0.052-0.1142-0.3260.5480.1496-0.01690.0386-0.12180.2502-56.29127.4746-81.8656
310.2241-0.09080.38840.0938-0.09220.70970.0779-0.02450.1534-0.08010.10990.0022-0.106-0.30860.09530.38450.14620.09210.1121-0.00940.2988-61.866724.8049-80.4238
320.01390.01630.00280.0352-0.01520.01360.14890.1489-0.0063-0.0998-0.0075-0.1017-0.1656-0.015900.2834-0.02740.05130.2846-0.01740.1977-35.214122.1966-107.7678
330.46480.11120.40150.05550.17940.5256-0.197-0.0790.11260.1192-0.0520.2388-0.11620.0149-0.21650.27660.17920.10980.1732-0.10950.1475-35.480622.5759-78.9252
340.16170.11460.12280.0950.10360.1202-0.03810.06210.0912-0.03870.1342-0.092-0.0735-0.03690.12460.40510.0610.05330.18720.16210.4443-36.611932.4573-108.5639
350.03260.0062-0.00990.03130.09180.2372-0.1468-0.10710.01670.093-0.0063-0.0247-0.09890.0358-0.08210.17270.05580.04120.08140.0330.2418-36.616620.6572-90.441
360.1538-0.13420.10830.1467-0.11160.0815-0.2676-0.18140.13320.228-0.0412-0.0935-0.13720.0021-0.10350.20640.02650.02580.23830.01510.2408-26.159422.325-78.0814
370.0112-0.00640.00020.0071-0.00520.0015-0.1020.08160.067-0.07890.01630.1764-0.07970.1128-00.5720.0752-0.00750.2704-0.05780.4325-42.460130.3165-74.8325
380.26290.0055-0.00080.1479-0.23020.3464-0.10350.01670.01770.0342-0.0873-0.0907-0.09830.1381-0.25130.1072-0.09680.11240.1857-0.09470.3133-23.207223.8335-78.8653
390.01720.0190.00430.01870.02270.0123-0.1795-0.04170.04290.025-0.0651-0.0038-0.17620.013700.3582-0.09980.01620.3722-0.08070.2818-29.705625.5627-74.0276
400.0083-0.0032-0.00180.00190.00060.014-0.0152-0.03650.02750.0361-0.0660.128-0.0121-0.02910.00010.33790.07310.01310.2593-0.05770.1681-21.5148-2.3211-116.4206
410.012-0.0108-0.00880.01010.00630.0215-0.02770.018-0.01460.0302-0.00860.01850.0341-0.0355-0.04070.4743-0.24060.11690.22490.04340.1993-16.748516.5471-121.7202
420.1811-0.09040.04640.0590.04110.3386-0.21810.3294-0.1184-0.1328-0.0431-0.01440.02220.0859-0.34660.1494-0.15930.31090.17430.1245-0.1188-15.84847.4034-147.0644
430.0141-0.00010.00170.00170.00060.01290.2501-0.16950.0280.06840.0397-0.06290.01540.1937-0.00020.3499-0.1036-0.11060.30980.09420.2925-11.32080.2746-116.9666
440.0910.0477-0.01690.06980.02730.06010.05770.1315-0.0159-0.0715-0.0876-0.0696-0.09060.22490.0010.1891-0.03780.04260.160.01820.2419-19.95725.7613-136.64
450.2450.05120.06380.2430.07020.18660.01820.1030.0985-0.1113-0.0063-0.1898-0.14040.0938-0.04970.3441-0.1325-0.00110.0234-0.00030.2672-13.552416.4925-146.577
460.00550.0145-0.00270.01020.01990.07250.0886-0.08520.09880.0053-0.0404-0.0758-0.04220.21650.00150.07030.0073-0.02160.33610.02250.3089-8.6887-0.6132-150.4684
470.1536-0.0380.17060.0159-0.05440.202-0.12020.01390.11930.043-0.1308-0.1527-0.30790.1501-0.2570.4584-0.16060.05170.16070.14870.3643-11.473418.795-145.2097
480.1865-0.05460.04810.0219-0.02220.0180.08930.08080.1022-0.09790.06590.1068-0.0305-0.02080.04870.3381-0.09220.04690.14210.04560.1426-10.809312.6095-150.6691
490.0101-0.0041-0.00490.00440.00390.0051-0.04960.035-0.17460.1427-0.04150.06350.104-0.08790.00010.4290.0453-0.05720.41860.02420.1851-28.484319.6915-117.3604
500.0082-0.0045-0.00120.00170.00320.0067-0.0128-0.078-0.13270.00160.073-0.01360.0691-0.01940.00030.42440.11430.06490.26250.01190.2757-44.367929.1503-125.0053
510.03770.0218-0.04450.044-0.01990.0878-0.03430.01470.0612-0.12530.11360.0076-0.1473-0.03660.38640.6990.05930.09530.02950.10040.1503-33.538724.3866-149.2883
520.0840.00060.00490.0070.0290.1573-0.06580.00390.04250.0368-0.1031-0.0574-0.12720.068-0.02830.93140.1059-0.03720.31290.08510.3755-27.70630.0456-119.0945
530.0089-0.03830.02530.0776-0.0470.0255-0.0460.02350.0081-0.0178-0.0283-0.0243-0.0281-0.0645-0.1460.4116-0.02990.0075-0.22740.10620.2344-34.035921.3491-138.0641
540.00960.00420.0010.00220.00080.0014-0.0456-0.02580.0907-0.0253-0.0345-0.0387-0.05460.0559-0.00010.64880.0287-0.00420.4230.22910.3944-34.265628.6286-165.9847
550.0711-0.01930.01670.1022-0.02690.0338-0.0581-0.01410.1281-0.11070.0225-0.1592-0.0748-0.0362-0.14450.65010.18220.0841-0.01050.03370.2601-44.77829.7501-142.5556
560.13680.25680.23070.4910.44030.3960.07660.0129-0.01640.13820.2287-0.1201-0.0832-0.09820.04640.7106-0.1233-0.02560.26610.08860.3082-23.324527.2046-152.9954
570.0241-0.00480.02560.0071-0.00130.0828-0.1089-0.02660.1239-0.02210.15610.0028-0.2168-0.11030.05230.83120.12160.03280.1986-0.00090.2866-43.046932.1969-149.0612
580.1144-0.0415-0.12190.13120.02310.15930.06730.10380.0301-0.19820.07670.1055-0.0123-0.00170.06630.69250.18650.01380.11790.08370.292-36.644230.2525-153.8405
590.06520.02380.050.040.02470.03950.2037-0.0481-0.03190.09510.04980.0742-0.0224-0.15470.00370.39440.11430.02990.2154-00.2911-55.727314.3956-123.2002
600.0343-0.01720.01460.031-0.03310.0267-0.03390.06170.116-0.169-0.0098-0.0060.0096-0.0055-0.00040.32060.1077-0.01040.2250.02360.263-55.151912.7567-151.9586
610.03170.0212-0.02940.05890.00440.03910.0376-0.00560.1092-0.02990.00930.0522-0.1798-0.10140.01950.50340.29140.01310.4364-0.08640.3507-60.840823.437-123.1344
620.10470.0647-0.00380.0825-0.10170.32120.1893-0.0072-0.00880.0093-0.05010.1098-0.1693-0.07680.33890.27160.287-0.07630.10390.0380.2212-53.283712.5981-140.4737
630.02670.05030.01240.15930.03790.0076-0.0710.02310.1048-0.38390.01310.2642-0.1584-0.226-0.02420.39710.1275-0.02930.2918-0.07010.1967-62.39496.8195-152.567
640.00120.02310.00660.0758-0.04480.0773-0.06960.00630.1652-0.0036-0.03220.0228-0.2133-0.2255-0.23230.42470.3535-0.11910.3517-0.00140.2867-61.237312.2873-154.7489
650.2742-0.2553-0.09390.23940.09060.02860.0356-0.06450.25540.09810.1141-0.2128-0.0631-0.12740.01810.29540.1077-0.04380.2567-0.01770.1985-54.882-11.0403-123.3197
660.00430.07320.02080.37140.10270.0323-0.09650.12730.0068-0.313-0.08170.0745-0.0314-0.0842-0.02780.20470.0363-0.04580.1392-0.0060.2001-50.7372-11.408-151.3145
670.0015-0.0020.00390.0238-0.02250.023-0.0409-0.0234-0.01350.0428-0.14290.07940.0362-0.1419-0.00430.1563-0.00350.07480.43220.00860.4502-65.3132-10.438-123.6676
680.2036-0.0199-0.02780.19260.12360.0571-0.0313-0.1078-0.0824-0.1562-0.0283-0.0576-0.1107-0.1028-0.05470.05090.1410.0963-0.0098-0.10880.2075-51.1085-8.4162-140.141
690.3570.0525-0.09760.38230.04560.0363-0.07360.2466-0.0769-0.00420.03320.17330.0208-0.0902-0.08320.01620.0397-0.03160.10.00430.2013-47.4776-20.019-151.1712
700.25270.0973-0.10250.0931-0.08540.0840.06340.12090.15810.0135-0.0825-0.06420.0984-0.09380.00370.545-0.01640.03320.393-0.0320.2115-60.1279-9.0072-156.7605
710.2058-0.1145-0.07790.1404-0.04020.1354-0.03880.0586-0.0908-0.0012-0.0813-0.01060.0386-0.0542-0.06650.49240.1071-0.07560.1152-0.04410.283-47.7834-23.2344-149.5339
720.4006-0.0126-0.19660.3144-0.01130.09730.06870.10640.0674-0.0830.04750.0623-0.024-0.08470.12010.25880.0716-0.07940.1016-0.10580.1481-50.767-18.362-155.5078
730.008-0.00490.00870.0119-0.0110.014-0.02060.0245-0.0416-0.0118-0.079-0.0035-0.02660.01020.00010.392-0.02790.04480.38810.03160.2667-40.454-15.7185-118.701
740.0798-0.03550.12290.0223-0.04210.22340.0027-0.0343-0.0130.0240.0721-0.10510.0895-0.09220.01430.2813-0.0667-0.08530.14550.0070.2793-20.8918-14.0313-121.6788
750.2887-0.03360.21470.1535-0.12050.51-0.07070.1106-0.1822-0.0054-0.0414-0.0165-0.03550.0483-0.12870.19550.0032-0.01240.0459-0.01510.1647-26.4277-14.6431-148.2047
760.03460.03150.00450.04-0.00920.0458-0.0084-0.0083-0.09510.0091-0.07040.0170.04980.0094-0.02170.5442-0.0359-0.02160.14380.04230.44-34.6814-24.4649-119.7002
770.30890.1245-0.03450.1831-0.0070.0597-0.0530.12440.00590.05280.04090.21430.0932-0.06320.0997-0.0517-0.12280.0271-0.14230.02870.1731-30.3056-12.397-137.8023
780.00960.0504-0.0530.3539-0.10260.2115-0.07930.0637-0.177-0.0058-0.0304-0.25450.10680.1274-0.1780.0326-0.00080.02540.1509-0.00750.2203-17.1282-14.1185-146.7018
790.1980.2313-0.22460.4397-0.50650.61530.05990.17480.0736-0.010.29480.1120.1096-0.03910.09860.1910.00590.00420.1677-0.10030.2769-31.9399-22.6139-153.8412
800.0498-0.0075-0.00690.0604-0.0030.1880.00470.13970.0819-0.2729-0.0987-0.1649-0.03590.2207-0.01190.28580.05660.02820.1686-0.05890.2911-14.5063-15.5106-145.1534
810.02930.0670.03090.29050.03150.0769-0.0040.04530.0719-0.0875-0.02970.06730.0075-0.02480.01470.1171-0.00520.0410.3299-0.10640.2243-19.5318-17.4478-151.4753
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1660.0159-0.00150.0041-0.0002-0.00340.0035-0.1321-0.06590.0048-0.07180.01920.0441-0.04410.02080.00030.29970.03880.13020.23960.00470.2642-91.8759-10.2307-6.4362
1670.2688-0.145-0.00740.2145-0.07410.0411-0.00010.09190.2737-0.2058-0.0599-0.00230.0815-0.1045-0.04860.17490.0035-0.00740.147-0.00480.2272-86.2865-9.6669-32.982
1680.0108-0.0080.00880.0106-0.00390.0053-0.0764-0.05140.04860.06750.06920.0115-0.0161-0.0435-00.3924-0.0263-0.01870.2135-0.04850.3984-78.08710.2353-4.4698
1690.20360.1368-0.05370.0819-0.03780.01410.0529-0.06880.0270.0313-0.06140.0552-0.0689-0.0278-0.00530.19870.03230.03430.1222-0.00890.2871-82.3936-11.6937-22.2635
1700.28420.093-0.01140.09720.00650.003-0.08840.11960.1096-0.03790.01480.1479-0.0404-0.1483-0.00270.20070.09420.04070.0895-0.04890.1467-95.5252-10.2265-31.502
1710.00390.0061-0.00510.01550.02370.0527-0.1470.00440.09230.0524-0.0591-0.0975-0.05420.0374-0.00140.34730.0669-0.00730.13810.06180.3199-80.2745-2.0274-38.8108
1720.19240.06140.21290.03560.04050.39840.0851-0.0496-0.1261-0.132-0.0180.13880.1371-0.1030.02770.16040.02090.05210.12580.0330.2224-98.2119-8.8069-29.9403
1730.25770.1681-0.09040.13920.04190.25410.16460.0187-0.0547-0.1746-0.1485-0.26720.0658-0.01950.04030.24520.0750.02060.27820.06070.2158-93.1821-6.893-36.2226
1740.0802-0.0024-0.06980.02320.02550.1004-0.05750.02050.0079-0.070.0571-0.0669-0.1818-0.3519-0.00480.3770.0889-0.05040.1472-0.00370.2312-92.8062-29.7725-3.7623
1750.3845-0.2233-0.09380.2068-0.00220.06350.15610.31190.0308-0.2117-0.1530.11210.1062-0.0225-0.02930.16410.0089-0.01040.1931-0.01020.1893-96.9212-31.679-31.7983
1760.01020.00660.01330.01910.01080.02780.1743-0.17420.0620.06580.00390.09120.1171-0.12570.00220.3899-0.11930.01870.2172-0.06290.2955-101.3743-24.4811-1.7066
1770.06980.02810.06120.0668-0.01850.1204-0.04440.059-0.0587-0.1266-0.1074-0.0122-0.0272-0.1947-0.00140.2063-0.0476-0.00440.1304-0.04670.2398-92.9255-30.022-21.0726
1780.03850.02380.05270.04620.0080.0554-0.0459-0.0070.1297-0.0532-0.26160.26560.1619-0.1815-0.01960.35530.023-0.02590.2136-0.04420.2122-99.4905-40.6733-31.1115
1790.02070.0094-0.01280.01770.00030.00960.2591-0.0120.0126-0.0975-0.0145-0.03050.1052-0.06970.00080.2909-0.07660.02510.3429-0.07730.3119-102.2607-21.7779-37.0728
1800.0008-0.0147-0.01970.15490.18820.2182-0.00380.0418-0.13220.2426-0.08770.06070.4535-0.0663-0.00320.3487-0.09310.0440.2789-0.05940.3327-101.3725-43.0301-29.9313
1810.4754-0.0666-0.25710.1315-0.1110.37940.18780.0963-0.04090.1446-0.0125-0.12930.073-0.06330.08670.3638-0.1032-0.05040.2404-0.10890.302-101.9904-36.919-35.4017
1820.0059-0.00280.00040.0053-0.00610.00690.0210.0050.1281-0.021-0.02080.0198-0.03160.037200.46260.0110.01320.39340.07830.2102-84.5271-43.9885-2.042
1830.0102-0.00440.00590-0.00140.0050.0673-0.13710.10530.0450.0709-0.0385-0.02860.00260.00020.43820.1056-0.01840.4711-0.10980.331-68.3448-53.7413-9.7055
1840.1833-0.08020.21050.1187-0.13640.49580.12290.0443-0.113-0.03930.09470.02180.22330.03950.20310.55750.0222-0.01940.082-0.02090.1422-79.3517-48.7718-33.9326
1850.0022-0.00250.00570.0058-0.010.0148-0.0677-0.0064-0.0510.1094-0.01530.06880.0632-0.1175-00.82060.0295-0.05330.389-0.03850.3599-85.3314-54.3467-3.7486
1860.08970.0203-0.00770.08440.0860.10660.06960.03240.1403-0.0730.0138-0.05610.1458-0.0532-0.00030.45010.0764-0.00690.1306-0.00590.2942-78.874-45.7067-22.715
1870.0683-0.04520.04270.0693-0.0570.181-0.09540.0534-0.0366-0.0692-0.0892-0.13650.00380.0128-0.3460.80230.35370.07770.20550.11290.2543-71.4642-53.8054-34.5992
1880.01720.0123-0.00160.10240.07710.06350.0263-0.0140.00380.10740.00310.09450.10770.0177-0.04420.5935-0.0843-0.03580.1563-0.04010.2846-89.4595-52.6381-37.1028
1890.0140.0151-0.00310.1419-0.09410.056-0.0830.0113-0.0879-0.1099-0.025-0.02050.00360.0415-0.13050.63930.1939-0.06920.0558-0.00580.3213-69.8752-56.6049-33.6434
1900.084-0.03160.01220.00380.00160.08530.03770.0981-0.0393-0.0891-0.02040.0737-0.0606-0.08760.00540.8190.24730.06220.2148-0.12190.2523-76.2777-54.781-38.472
1910.0165-0.0005-0.00770.00290.00510.0084-0.0694-0.00050.07340.0589-0.01920.05080.0066-0.06760.00020.4349-0.02490.00240.11630.0150.1908-61.5478-43.9739-4.7335
1920.0006-0.00690.00540.0999-0.09690.0886-0.0404-0.12630.06380.1179-0.2922-0.01690.11380.0019-0.02160.31340.10570.16480.3505-0.1220.3341-51.0503-31.1957-11.9012
1930.0265-0.02490.00910.03620.04360.0359-0.04380.0591-0.1511-0.1636-0.11090.05860.0152-0.0018-0.33370.48320.55540.1974-0.0367-0.17190.1267-57.7075-37.2076-36.4535
1940.0122-0.00430.00060.00250.00090.0027-0.024-0.1373-0.1522-0.05110.0461-0.01650.06450.0232-0.00020.48730.1359-0.02030.50310.11990.5288-52.1671-47.8181-7.569
1950.02820.0191-0.00870.01520.01660.11550.0502-0.00240.1221-0.1889-0.0275-0.0994-0.04290.03610.01330.44360.31140.1120.0781-0.12040.108-60.6225-34.7355-24.55
1960.12320.03490.03810.2738-0.02110.1601-0.1417-0.091-0.0494-0.1544-0.0982-0.02320.16080.0705-0.34760.51160.3640.1581-0.00860.08530.2875-57.1496-38.7554-34.1007
1970.05190.0237-0.02470.07520.0130.03750.01340.0196-0.2314-0.10260.0245-0.17460.26440.1695-0.17710.49010.37850.02360.29420.03310.3407-52.4881-36.2556-34.0849
1980.029-0.02150.01370.05740.02740.01810.03880.0157-0.0473-0.053-0.05590.0173-0.00450.1134-0.23140.1960.32820.01070.45910.01030.3014-47.2058-30.7614-36.2584
1990.1482-0.09870.03820.0806-0.04950.0466-0.08530.0722-0.0443-0.0739-0.1245-0.06430.1024-0.0299-0.4390.57370.21440.27220.3136-0.00840.3193-51.4213-35.684-41.322
2000.03280.01670.00110.00630.00280.00170.0266-0.11140.1316-0.03580.08770.1709-0.00290.07560.00020.35430.0186-0.01610.4493-0.08740.277316.204634.3804-8.2548
201-00.0279-0.00730.6062-0.24890.1012-0.07880.05050.1075-0.3235-0.0162-0.12690.1097-0.0358-0.01410.2040.03250.04640.430.01870.175811.326835.9743-36.2117
2020.00370.0078-0.00060.02130.00370.00850.0371-0.00210.06710.13260.0227-0.0198-0.00540.1357-00.4449-0.0775-0.1770.4972-0.05050.545125.879337.7168-8.5927
2030.14320.02050.060.05540.03810.05150.0594-0.00670.02570.00680.0106-0.088-0.2946-0.0215-0.00050.19840.07020.01490.3243-0.01270.26189.967836.9709-28.9703
2040.00070.0001-0.00530.0014-0.00250.0034-0.04040.18880.0974-0.0139-0.0839-0.14280.05110.11150.00010.4741-0.0818-0.06210.4290.1530.310320.920635.4127-42.1787
2050.0551-0.02160.0630.001-0.01470.0613-0.18810.18130.0036-0.1632-0.05110.1793-0.2087-0.0095-0.00030.5107-0.0323-0.06310.38230.07520.30497.538145.0663-36.7789
2060.00690.0025-0.00530.00690.00740.01330.0008-0.0753-0.1030.02510.0375-0.13520.0018-0.038200.44850.0680.06310.32470.05360.3130.708137.1444-3.5099
2070.00510.0198-0.02260.0782-0.08840.09650.0623-0.0569-0.07330.0457-0.0244-0.0306-0.01460.0228-0.02180.12820.1351-0.00130.51390.10680.3619-17.215630.144-7.0374
2080.0333-0.05870.00130.0489-0.0090.0388-0.03530.04720.1323-0.23860.205-0.1566-0.0303-0.0581-00.37970.02010.01160.2893-0.01620.235-12.812533.1503-32.9785
2090.00390.00290.00360.0060.00040.0033-0.0906-0.13290.21820.00510.0374-0.0604-0.1445-0.0898-00.60910.05220.00570.4252-0.05580.3578-7.055844.2024-4.3018
2100.05260.09210.02080.1987-0.01360.0479-0.0455-0.0596-0.0806-0.11440.0505-0.2034-0.07510.03050.00440.1560.07360.03570.2135-0.03430.2546-8.44131.949-22.3388
2110.0956-0.03220.04080.16420.11110.1147-0.00140.05420.0949-0.0669-0.00940.1607-0.1088-0.12220.00010.28110.0617-0.05630.2655-0.01910.2933-20.154133.1495-33.1046
2120.00540.02770.02190.14830.24220.50910.1746-0.09950.00010.11790.1455-0.0054-0.0821-0.13630.10310.21940.13950.1070.38050.16070.3742-14.50819.6161-4.0342
2130.03920.07160.01050.19050.16250.28990.13420.2217-0.1517-0.25210.06840.0712-0.09980.1159-0.00280.19290.0633-0.01610.29190.03170.2463-17.99028.8628-32.0936
2140.080.05740.00960.0541-0.01860.15020.0561-0.0576-0.0248-0.01610.01560.0856-0.0104-0.08040.07040.1150.1668-0.08710.2442-0.0260.2389-15.65211.777-15.0007
2150.218-0.08080.0520.12220.13140.4086-0.0051-0.0878-0.02660.0580.05130.1430.1595-0.1021-0.01640.25770.1354-0.01420.21710.01040.2664-17.92984.9349-27.1861
216-0.0001-0.0030.00380.0065-0.00580.01410.08140.05450.03370.0329-0.11390.08850.1031-0.1233-00.26820.1461-0.05010.4303-0.03420.3343-26.035415.642-35.9501
2170.1181-0.0870.12430.42690.24780.39330.0589-0.13170.01560.17280.0344-0.07260.2248-0.1068-0.10450.19050.0931-0.11370.312-0.03020.2543-20.4896-0.7072-32.6576
2180.0769-0.0338-0.01780.0237-0.0050.0249-0.0068-0.02320.08110.0430.1268-0.07570.0309-0.04250.13880.09110.079-0.13390.47370.08010.2391-2.3671-0.7474-2.8475
2190.371-0.0084-0.35010.1277-0.0460.35010.0942-0.1140.1476-0.00430.01820.0622-0.01340.00030.06060.24340.0089-0.13090.3843-0.13010.330314.7542-4.5-11.3873
2200.33580.08440.28430.4975-0.03350.30970.20760.3347-0.2269-0.30920.05510.24350.03410.02150.08960.16210.2521-0.18550.2458-0.02380.25453.1703-3.2261-34.936
2210.00440.0030.00620.00080.00040.0081-0.00970.0353-0.09460.15690.05510.07740.1027-0.0794-0.00010.3318-0.0723-0.04310.16750.07510.3512-0.5833-10.917-4.858
2220.02820.04580.00360.37050.05670.09050.16520.0191-0.10460.1259-0.0272-0.07990.0670.12270.03560.10540.1198-0.03780.34720.00820.31933.0979-0.3345-23.9809
2230.0550.07350.02060.15990.05790.0706-0.02140.2037-0.3493-0.00990.0222-0.13590.1886-0.0293-0.030.2110.0743-0.01760.2981-0.08920.194912.013-6.3524-35.6563
2240.1032-0.10180.01790.1259-0.04620.0387-0.1337-0.044-0.03860.0634-0.15540.14910.0909-0.0288-0.01160.63070.0818-0.22270.4506-0.09740.5477-5.6967-9.4255-38.0838
2250.1580.04560.06450.080.02650.0392-0.00390.0731-0.0907-0.1459-0.00410.12250.07510.094-0.11450.22020.2003-0.09690.4078-0.01960.28314.3417-8.4499-35.0467
2260.0492-0.0018-0.05080.00290.00070.04940.0243-0.0689-0.0507-0.0539-0.03280.1118-0.00240.06540.04430.31260.2546-0.09510.505-0.09130.28127.6015-8.1636-39.7302
2270.01290.00740.00490.00760.00460.01250.0371-0.03160.0359-0.01620.00180.13650.0007-0.0199-00.26570.0741-0.08030.292-0.02860.33919.66185.0984-5.7029
2280.00320.00410.00080.00160.00060.00160.04450.02440.02050.2304-0.11910.10080.0727-0.0789-0.00010.3906-0.0961-0.03060.31850.02270.306527.902520.4888-12.1269
2290.2209-0.09270.01990.06540.03550.13840.0190.2414-0.1178-0.1123-0.1032-0.0497-0.02760.0063-0.08270.21420.1531-0.00790.5398-0.00740.216621.196813.4921-37.2571
2300.01810.00850.01350.00620.00130.0113-0.0066-0.0358-0.26710.0197-0.0561-0.10210.1414-0.008100.34310.16030.01820.40520.01870.416829.65223.7943-8.7632
2310.03240.0026-0.04680.0406-0.0030.05490.07090.01450.0595-0.168-0.06050.03250.08470.188800.29580.0867-0.01180.2868-0.02390.274619.488812.8933-25.8225
2320.2108-0.1007-0.0240.181-0.00710.13910.18270.38920.1432-0.1328-0.074-0.2624-0.17320.18210.00580.41510.06690.01390.50910.03680.288126.880617.5795-39.1421
2330.00570.00210.00140.0067-0.00820.00850.1543-0.0775-0.0041-0.01430.09870.06980.05360.0969-0.00010.3663-0.108-0.16190.37270.02880.3953-11.3564-73.9235-3.7454
2340.04720.0038-0.04470.0009-0.00580.0470.032-0.12080.1931-0.0570.02350.0622-0.0028-0.10190.01120.38990.0849-0.16190.4917-0.25880.52066.9068-77.0053-11.8055
2350.4181-0.1943-0.09560.12580.09910.0974-0.06970.0818-0.1609-0.0770.2144-0.1270.05880.1957-0.12750.2053-0.168-0.01820.5774-0.18110.3348-5.175-74.8893-35.8013
2360.0109-0.00690.00630.0057-0.00850.02220.0165-0.0072-0.10630.03710.03160.00580.0532-0.01280.05750.2815-0.2273-0.08370.30.01250.6689-8.4443-83.7791-6.0155
2370.29040.02850.04160.0986-0.01210.24670.08110.4456-0.182-0.12040.2907-0.19990.18380.10050.5421-0.0794-0.3217-0.10160.3582-0.26490.3615-5.7025-72.494-24.5018
2380.15650.0078-0.03470.1101-0.03320.0265-0.04460.365-0.1192-0.14380.0247-0.13870.023-0.0439-0.04350.1095-0.17080.04450.7599-0.35150.44913.9311-76.8263-36.7194
2390.0293-0.0278-0.06050.02770.06340.1327-0.06640.01610.01870.0595-0.01770.05930.08010.05-0.29390.3694-0.2184-0.01380.6229-0.25830.2995-13.5372-81.4936-39.6278
2400.03610.0029-0.03710.0089-0.01150.03050.04210.0296-0.0001-0.13070.2043-0.30780.02960.08030.00010.3958-0.15220.05830.6761-0.260.4943.5955-78.9739-37.9466
2410.14930.0349-0.13950.008-0.03050.13240.0677-0.0393-0.00420.01430.03060.0634-0.01280.04330.20280.4358-0.0314-0.19360.3627-0.15080.434710.1325-65.9017-6.3237
2420.00730.00130.00930.0053-0.00640.01430.10860.04960.00590.05450.034-0.0590.05590.12250.00010.4281-0.14780.00170.6601-0.14420.234616.6264-49.3329-12.8367
2430.10760.07470.00990.0730.0650.1421-0.13570.0117-0.0375-0.07610.0332-0.0167-0.04340.0425-0.11970.2963-0.28690.03490.6983-0.39030.402810.7229-56.0716-37.4753
2440.0093-0.0053-0.01090.0078-0.00310.0127-0.0327-0.0658-0.0134-0.066-0.0783-0.0074-0.06790.1156-0.00010.35040.00080.06460.7314-0.38310.728220.2188-65.8994-9.3492
2450.07490.0538-0.0590.1084-0.00780.0522-0.02260.1116-0.14610.04090.0316-0.01920.03210.00820.06960.0684-0.1688-0.01540.2868-0.38770.2939.0703-57.3512-26.0047
2460.02140.00560.0030.0005-0.00080.0006-0.1240.2667-0.1736-0.21070.1214-0.08290.02570.0262-0.0620.3391-0.49680.03020.6369-0.46350.406715.3536-47.8905-37.5748
2470.10940.07620.1480.17070.12780.2034-0.17470.209-0.0649-0.0411-0.08760.1175-0.03920.0579-0.24540.3603-0.33340.10810.6171-0.31260.397316.1086-52.8449-40.0445
2480.00270.0010.00030.00230.00710.0104-0.0008-0.0803-0.1261-0.0122-0.01660.05740.0760.067300.4605-0.05560.01120.3668-0.06190.22989.1222-42.4747-5.8313
2490.0103-0.0072-0.00160.00680.00770.0116-0.0399-0.03270.1063-0.0526-0.0003-0.0308-0.06810.01610.00010.48450.1868-0.03070.7451-0.02630.4096-4.7978-28.4628-9.6096
2500.04310.0788-0.02660.1711-0.00170.0217-0.06480.24880.0723-0.24790.15480.0186-0.0033-0.10280.00490.475-0.4144-0.04840.59440.03660.2729-1.8207-34.95-35.6676
2510.0705-0.05940.03810.0553-0.02780.04310.005-0.01750.0164-0.0240.0676-0.0342-0.02390.07680.10010.4891-0.1514-0.22220.35810.00350.317712.2502-32.6302-7.8486
2520.1219-0.16260.16490.2407-0.1770.348-0.07830.19930.0553-0.11120.2116-0.0931-0.0846-0.17730.04310.3251-0.26850.0640.3405-0.03450.2734-0.4571-38.3376-24.6296
2530.00330.00150.00220.0007-0.0010.00520.09240.01330.0169-0.11370.05210.04110.0533-0.008300.57870.0657-0.10950.68040.14460.4738-5.2754-29.7956-51.7522
2540.0405-0.00130.0120.0009-0.00140.0037-0.2595-0.01710.1451-0.0574-0.06810.13670.014-0.0598-0.00160.5433-0.139-0.0490.35190.08850.3398-9.2717-27.1297-26.5406
2550.1386-0.14890.16030.1498-0.18770.392-0.17770.1440.0747-0.0730.23180.069-0.2745-0.17430.04260.7688-0.4084-0.02060.51230.00830.338-2.9354-28.4768-37.2866
2560.00440.0050.01190.01190.02080.0180.0227-0.14410.04680.0504-0.065-0.0834-0.11590.1852-0.00020.36850.01510.01740.37940.00570.3169-19.9323-40.1148-4.9752
2570.1092-0.106-0.03830.11190.04370.0577-0.38180.19130.2313-0.31340.35220.0868-0.0492-0.04570.01690.5351-0.192-0.09010.37250.0650.307-25.4516-40.5912-32.8541
2580.1057-0.06590.17770.0418-0.11030.3116-0.266-0.01680.0014-0.00070.020.0671-0.363-0.0737-0.02250.2491-0.0747-0.02720.27540.06370.2649-20.7747-39.5485-16.0285
2590.357-0.2273-0.0240.15860.00620.0525-0.20930.0840.4226-0.0190.29490.3181-0.1996-0.11070.03410.2774-0.0733-0.07510.31850.1450.2544-28.665-42.1297-28.0202
2600.00820.0066-0.00350.01780.00620.0151-0.21240.00050.0743-0.1179-0.1825-0.06240.0081-0.0404-0.00030.6483-0.1352-0.08060.50740.09870.7376-24.1282-30.3478-37.2864
2610.03790.05340.03740.0340.02360.0433-0.2243-0.05960.3467-0.14380.07750.2065-0.0691-0.0767-0.00130.2845-0.1241-0.06710.5440.08880.3763-35.3203-42.7202-32.3531
2620.0105-0.0006-0.00660.00720.00010.0075-0.0778-0.0620.1489-0.0369-0.0695-0.0138-0.0129-0.11120.00010.44240.1114-0.01710.31820.17390.362-25.4021-55.6794-1.7736
2630.0347-0.0051-0.03440.0010.00510.0332-0.1199-0.01970.10010.12470.0185-0.1717-0.04040.0198-0.00490.28160.0099-0.09990.19320.08320.2491-21.738-72.0396-8.4793
2640.11440.0580.0950.1523-0.00840.1129-0.00390.096-0.11260.02350.19810.0143-0.0099-0.00370.2690.2175-0.27120.070.41730.06990.1566-27.5877-65.2231-32.931
2650.00820.00590.00470.0126-0.00070.01570.0385-0.1195-0.12670.0182-0.06470.10720.1582-0.07290.00030.39770.0721-0.02820.3722-0.04350.3853-34.1156-61.5513-2.5664
266-0.0001-0.0010.02570.4962-0.21750.1848-0.01740.0016-0.09290.09680.30080.01150.0026-0.07440.10280.07670.01020.02680.20940.0120.2758-24.3306-62.7899-22.0097
2670.0429-0.0382-0.03280.08850.06910.0593-0.13010.1496-0.3031-0.31480.16230.07790.0114-0.041-0.00040.3091-0.1510.01350.4134-0.00240.3177-26.9353-74.5606-32.694
2680.01680.03160.03580.05410.05080.0344-0.08170.033-0.0267-0.14470.08860.0615-0.01490.0656-00.2305-0.0483-0.00910.40580.00420.3016-31.0332-70.2179-33.8638
2690.1848-0.2543-0.02270.33230.03790.1803-0.10520.0548-0.23380.02070.15740.02180.14090.03520.0310.3028-0.1986-0.01750.295-0.01470.256-30.5398-71.614-36.8471
2700.08090.04460.0130.3026-0.28840.459-0.0439-0.06340.03680.17450.017-0.0787-0.04940.1489-0.18540.55150.2377-0.16770.5285-0.19440.207832.4393-53.9951-109.2234
2710.0075-0.00340.00280.0030.00410.0086-0.05920.06-0.1454-0.00340.0836-0.00390.1101-0.0489-00.5148-0.0421-0.0670.4606-0.08870.454718.6343-68.1537-105.1281
2720.01740.0128-0.01310.0211-0.02770.0332-0.0902-0.16140.21950.30410.0958-0.0646-0.1107-0.0966-0.06710.62450.5594-0.0750.3618-0.13880.428121.9476-61.4778-79.2054
273-0.00820.0505-0.02570.20140.00460.25410.0612-0.0770.00140.23220.2087-0.09540.0795-0.15750.17410.43350.4268-0.11640.25780.01750.225622.5552-62.3166-89.4387
2740.22760.185-0.09240.239-0.2890.4354-0.1062-0.14150.00410.29620.42230.05230.4114-0.00520.0890.81380.4674-0.03680.6427-0.03640.467720.7229-67.8991-77.5858
2750.01540.0047-0.01950.023-0.00360.0183-0.10690.0309-0.0291-0.02850.05580.17160.2220.179600.35040.1129-0.06030.35530.05890.37982.6956-56.5325-109.7989
2760.57290.1249-0.12320.0683-0.04630.1078-0.2504-0.0294-0.07480.28780.18530.0569-0.1253-0.1512-0.14510.41410.31280.09080.59110.22960.3329
2770.1730.1567-0.07650.1544-0.0590.1106-0.24490.1804-0.0806-0.0130.3560.06430.1665-0.05810.00740.27810.07460.00620.48450.07950.32312.7018-57.1418-98.7058
2780.16360.1250.06990.13540.02740.0368-0.2174-0.2323-0.45880.24460.41080.44550.1545-0.1420.0420.26740.14460.07670.49140.22120.4529-5.2793-54.659-86.92
2790.06310.03710.04760.0594-0.01810.1045-0.21820.1867-0.13590.0320.03670.04220.1084-0.0594-0.01290.55310.30860.09320.75380.31310.4744-7.9251-57.2603-81.5697
2800.01650.00640.01530.00210.01210.0522-0.162-0.09540.01150.10510.04310.10610.05270.0272-0.06490.30880.32520.20770.65810.38270.6516-9.274-56.1877-78.5158
2810.0581-0.01940.0280.01660.00110.0189-0.0161-0.1742-0.0199-0.0652-0.0162-0.00620.1105-0.134100.2575-0.02040.01570.3610.05530.2684-1.4522-31.8159-110.221
2820.07920.02550.05830.0338-0.00410.1016-0.1151-0.20260.05340.10890.03070.09010.0037-0.0085-0.19410.29240.41960.00650.71120.11730.2159-4.2538-31.2911-82.1325
2830.01390.01010.00230.0283-0.00640.01140.0958-0.02170.06450.0058-0.04160.0267-0.1785-0.06250.00020.24390.1362-0.03150.54640.00020.4462-10.9103-35.4105-112.4172
284-0.0023-0.0163-0.00710.1146-0.07160.0639-0.0742-0.1907-0.03360.06540.19340.16270.0954-0.05420.28720.00250.3969-0.10110.23560.20110.0619-1.0454-33.8205-93.0443
2850.1341-0.03770.04170.1453-0.09860.2504-0.1769-0.19220.11960.26330.06420.0629-0.0393-0.0554-0.39390.44620.4902-0.07580.7266-0.09720.2819-3.3823-21.8554-82.23
2860.01110.01040.02690.0240.00630.0861-0.01950.0126-0.12130.1426-0.0163-0.03860.0878-0.0495-0.00620.49830.35660.00450.87250.1340.537-12.859-37.3278-78.2194
2870.0044-0.00170.01430.02760.0220.0404-0.1866-0.32890.21840.15660.1672-00.0031-0.1191-0.00010.43660.2195-0.00160.62370.00520.3915-4.6351-19.0673-83.5462
2880.01880.0144-0.04260.2013-0.1730.1766-0.048-0.19960.0011-0.00880.0037-0.0352-0.07-0.06180.04240.45510.42190.04260.75290.07770.2771-7.3129-24.8942-78.29
2890.00720.0054-0.00880.0069-0.01010.01440.11070.036-0.06680.0920.14780.0123-0.0410.0379-0.00020.20110.0686-0.04030.37680.04030.410111.7163-22.8041-111.5737
2900.2551-0.06450.3390.0507-0.05880.4778-0.06760.10930.0066-0.00680.01450.0006-0.14190.0901-0.13020.30460.12320.01560.6919-0.20450.388430.3315-19.4272-104.0038
2910.03550.0297-0.05450.0145-0.03360.0763-0.1558-0.3720.05970.15240.137-0.0032-0.0096-0.02160.02020.47370.3926-0.23150.831-0.23870.247818.1018-21.4451-79.5647
2920.0071-0.01960.01060.0426-0.01960.0087-0.01720.01790.0923-0.00650.01260.078-0.0473-0.001-0.00150.1136-0.0483-0.0160.23050.03680.618714.548-12.9006-109.4256
2930.0520.0411-0.0310.1638-0.22690.35540.0159-0.10460.09770.13520.1709-0.1055-0.0531-0.11550.31110.11870.5779-0.20760.4031-0.14410.260218.6279-26.2371-91.0613
2940.04220.0548-0.00960.1457-0.16440.2048-0.1878-0.53070.24130.27270.3018-0.0608-0.0651-0.0180.48580.13860.3796-0.52230.6485-0.28310.0401
2950.22720.060.12950.01440.03810.0806-0.1528-0.06140.03090.10430.09890.0124-0.057-0.0117-0.04430.75310.3537-0.13530.7938-0.18140.5719.9122-14.5292-75.9576
2960.0175-0.0218-0.00040.16640.16730.17840.0237-0.05580.10330.15790.1808-0.2363-0.11210.0550.14710.55250.4015-0.20730.6536-0.35450.569326.8304-17.2661-77.5091
2970.0078-0.0041-0.00180.0020.00310.0059-0.0396-0.03220.14870.0005-0.02830.0001-0.011-0.0411-00.28820.1736-0.06410.3745-0.15450.460333.2484-30.6377-109.0596
2980.0060.0043-0.00520.0067-0.00230.0056-0.00450.03410.0282-0.0412-0.0622-0.0499-0.01670.0304-0.00010.48750.1373-0.14550.5596-0.20060.372838.4438-46.5598-102.8062
2990.0543-0.0412-0.04110.04830.05620.05950.0104-0.01230.06150.10690.1169-0.14460.0009-0.01930.29870.41830.4859-0.16910.7307-0.23220.347234.3092-40.0369-77.7862
3000.04410.0018-0.07290.0001-0.00350.129-0.2374-0.07070.16710.0079-0.12-0.0462-0.04050.2432-0.01290.43870.2173-0.23740.7558-0.11110.602643.3687-30.509-106.157
3010.0599-0.08690.06250.1498-0.05830.0788-0.0633-0.1181-0.01790.17590.1376-0.08930.0230.00680.32560.16770.5649-0.18360.2319-0.27210.320732.4963-38.9242-89.2279
3020.0053-0.0170.00350.08670.02470.00870.0178-0.0669-0.05160.18160.0574-0.1646-0.00450.0750.01530.57740.7827-0.22480.6061-0.26260.461238.2499-42.978-76.1276
303-0.00330.0058-0.00420.0213-0.02350.0258-0.1329-0.2560.02540.1105-0.0672-0.10380.0539-0.03310.00020.6930.3814-0.10730.6882-0.12470.456541.8369-49.7556-78.4798
3040.0586-0.0244-0.05520.14840.13910.1621-0.1579-0.13510.14880.1057-0.0438-0.0932-0.05290.0543-0.46160.65920.5365-0.3440.766-0.23650.442139.631-43.9025-73.0892
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN A AND (RESID 1 THROUGH 13 )
2X-RAY DIFFRACTION2CHAIN A AND (RESID 14 THROUGH 26 )
3X-RAY DIFFRACTION3CHAIN A AND (RESID 27 THROUGH 59 )
4X-RAY DIFFRACTION4CHAIN A AND (RESID 60 THROUGH 72 )
5X-RAY DIFFRACTION5CHAIN A AND (RESID 73 THROUGH 122 )
6X-RAY DIFFRACTION6CHAIN A AND (RESID 123 THROUGH 153 )
7X-RAY DIFFRACTION7CHAIN A AND (RESID 154 THROUGH 170 )
8X-RAY DIFFRACTION8CHAIN A AND (RESID 171 THROUGH 190 )
9X-RAY DIFFRACTION9CHAIN A AND (RESID 191 THROUGH 207 )
10X-RAY DIFFRACTION10CHAIN B AND (RESID 1 THROUGH 26 )
11X-RAY DIFFRACTION11CHAIN B AND (RESID 27 THROUGH 59 )
12X-RAY DIFFRACTION12CHAIN B AND (RESID 60 THROUGH 72 )
13X-RAY DIFFRACTION13CHAIN B AND (RESID 73 THROUGH 122 )
14X-RAY DIFFRACTION14CHAIN B AND (RESID 123 THROUGH 153 )
15X-RAY DIFFRACTION15CHAIN B AND (RESID 154 THROUGH 205 )
16X-RAY DIFFRACTION16CHAIN C AND (RESID 1 THROUGH 13 )
17X-RAY DIFFRACTION17CHAIN C AND (RESID 14 THROUGH 26 )
18X-RAY DIFFRACTION18CHAIN C AND (RESID 27 THROUGH 59 )
19X-RAY DIFFRACTION19CHAIN C AND (RESID 60 THROUGH 72 )
20X-RAY DIFFRACTION20CHAIN C AND (RESID 73 THROUGH 122 )
21X-RAY DIFFRACTION21CHAIN C AND (RESID 123 THROUGH 133 )
22X-RAY DIFFRACTION22CHAIN C AND (RESID 134 THROUGH 153 )
23X-RAY DIFFRACTION23CHAIN C AND (RESID 154 THROUGH 170 )
24X-RAY DIFFRACTION24CHAIN C AND (RESID 171 THROUGH 190 )
25X-RAY DIFFRACTION25CHAIN C AND (RESID 191 THROUGH 206 )
26X-RAY DIFFRACTION26CHAIN D AND (RESID 1 THROUGH 26 )
27X-RAY DIFFRACTION27CHAIN D AND (RESID 27 THROUGH 59 )
28X-RAY DIFFRACTION28CHAIN D AND (RESID 60 THROUGH 72 )
29X-RAY DIFFRACTION29CHAIN D AND (RESID 73 THROUGH 122 )
30X-RAY DIFFRACTION30CHAIN D AND (RESID 123 THROUGH 153 )
31X-RAY DIFFRACTION31CHAIN D AND (RESID 154 THROUGH 205 )
32X-RAY DIFFRACTION32CHAIN E AND (RESID 1 THROUGH 26 )
33X-RAY DIFFRACTION33CHAIN E AND (RESID 27 THROUGH 59 )
34X-RAY DIFFRACTION34CHAIN E AND (RESID 60 THROUGH 72 )
35X-RAY DIFFRACTION35CHAIN E AND (RESID 73 THROUGH 122 )
36X-RAY DIFFRACTION36CHAIN E AND (RESID 123 THROUGH 153 )
37X-RAY DIFFRACTION37CHAIN E AND (RESID 154 THROUGH 170 )
38X-RAY DIFFRACTION38CHAIN E AND (RESID 171 THROUGH 190 )
39X-RAY DIFFRACTION39CHAIN E AND (RESID 191 THROUGH 205 )
40X-RAY DIFFRACTION40CHAIN F AND (RESID 1 THROUGH 13 )
41X-RAY DIFFRACTION41CHAIN F AND (RESID 14 THROUGH 26 )
42X-RAY DIFFRACTION42CHAIN F AND (RESID 27 THROUGH 59 )
43X-RAY DIFFRACTION43CHAIN F AND (RESID 60 THROUGH 72 )
44X-RAY DIFFRACTION44CHAIN F AND (RESID 73 THROUGH 122 )
45X-RAY DIFFRACTION45CHAIN F AND (RESID 123 THROUGH 153 )
46X-RAY DIFFRACTION46CHAIN F AND (RESID 154 THROUGH 170 )
47X-RAY DIFFRACTION47CHAIN F AND (RESID 171 THROUGH 190 )
48X-RAY DIFFRACTION48CHAIN F AND (RESID 191 THROUGH 205 )
49X-RAY DIFFRACTION49CHAIN G AND (RESID 1 THROUGH 13 )
50X-RAY DIFFRACTION50CHAIN G AND (RESID 14 THROUGH 26 )
51X-RAY DIFFRACTION51CHAIN G AND (RESID 27 THROUGH 59 )
52X-RAY DIFFRACTION52CHAIN G AND (RESID 60 THROUGH 72 )
53X-RAY DIFFRACTION53CHAIN G AND (RESID 73 THROUGH 122 )
54X-RAY DIFFRACTION54CHAIN G AND (RESID 123 THROUGH 133 )
55X-RAY DIFFRACTION55CHAIN G AND (RESID 134 THROUGH 153 )
56X-RAY DIFFRACTION56CHAIN G AND (RESID 154 THROUGH 170 )
57X-RAY DIFFRACTION57CHAIN G AND (RESID 171 THROUGH 190 )
58X-RAY DIFFRACTION58CHAIN G AND (RESID 191 THROUGH 205 )
59X-RAY DIFFRACTION59CHAIN H AND (RESID 1 THROUGH 26 )
60X-RAY DIFFRACTION60CHAIN H AND (RESID 27 THROUGH 59 )
61X-RAY DIFFRACTION61CHAIN H AND (RESID 60 THROUGH 72 )
62X-RAY DIFFRACTION62CHAIN H AND (RESID 73 THROUGH 122 )
63X-RAY DIFFRACTION63CHAIN H AND (RESID 123 THROUGH 153 )
64X-RAY DIFFRACTION64CHAIN H AND (RESID 154 THROUGH 205 )
65X-RAY DIFFRACTION65CHAIN I AND (RESID 1 THROUGH 26 )
66X-RAY DIFFRACTION66CHAIN I AND (RESID 27 THROUGH 59 )
67X-RAY DIFFRACTION67CHAIN I AND (RESID 60 THROUGH 72 )
68X-RAY DIFFRACTION68CHAIN I AND (RESID 73 THROUGH 122 )
69X-RAY DIFFRACTION69CHAIN I AND (RESID 123 THROUGH 153 )
70X-RAY DIFFRACTION70CHAIN I AND (RESID 154 THROUGH 170 )
71X-RAY DIFFRACTION71CHAIN I AND (RESID 171 THROUGH 190 )
72X-RAY DIFFRACTION72CHAIN I AND (RESID 191 THROUGH 205 )
73X-RAY DIFFRACTION73CHAIN J AND (RESID 1 THROUGH 13 )
74X-RAY DIFFRACTION74CHAIN J AND (RESID 14 THROUGH 26 )
75X-RAY DIFFRACTION75CHAIN J AND (RESID 27 THROUGH 59 )
76X-RAY DIFFRACTION76CHAIN J AND (RESID 60 THROUGH 72 )
77X-RAY DIFFRACTION77CHAIN J AND (RESID 73 THROUGH 122 )
78X-RAY DIFFRACTION78CHAIN J AND (RESID 123 THROUGH 153 )
79X-RAY DIFFRACTION79CHAIN J AND (RESID 154 THROUGH 170 )
80X-RAY DIFFRACTION80CHAIN J AND (RESID 171 THROUGH 190 )
81X-RAY DIFFRACTION81CHAIN J AND (RESID 191 THROUGH 205 )
82X-RAY DIFFRACTION82CHAIN K AND (RESID 1 THROUGH 26 )
83X-RAY DIFFRACTION83CHAIN K AND (RESID 27 THROUGH 72 )
84X-RAY DIFFRACTION84CHAIN K AND (RESID 73 THROUGH 122 )
85X-RAY DIFFRACTION85CHAIN K AND (RESID 123 THROUGH 205 )
86X-RAY DIFFRACTION86CHAIN L AND (RESID 1 THROUGH 13 )
87X-RAY DIFFRACTION87CHAIN L AND (RESID 14 THROUGH 26 )
88X-RAY DIFFRACTION88CHAIN L AND (RESID 27 THROUGH 59 )
89X-RAY DIFFRACTION89CHAIN L AND (RESID 60 THROUGH 72 )
90X-RAY DIFFRACTION90CHAIN L AND (RESID 73 THROUGH 122 )
91X-RAY DIFFRACTION91CHAIN L AND (RESID 123 THROUGH 153 )
92X-RAY DIFFRACTION92CHAIN L AND (RESID 154 THROUGH 170 )
93X-RAY DIFFRACTION93CHAIN L AND (RESID 171 THROUGH 204 )
94X-RAY DIFFRACTION94CHAIN M AND (RESID 1 THROUGH 26 )
95X-RAY DIFFRACTION95CHAIN M AND (RESID 27 THROUGH 59 )
96X-RAY DIFFRACTION96CHAIN M AND (RESID 60 THROUGH 72 )
97X-RAY DIFFRACTION97CHAIN M AND (RESID 73 THROUGH 122 )
98X-RAY DIFFRACTION98CHAIN M AND (RESID 123 THROUGH 170 )
99X-RAY DIFFRACTION99CHAIN M AND (RESID 171 THROUGH 204 )
100X-RAY DIFFRACTION100CHAIN N AND (RESID 1 THROUGH 26 )
101X-RAY DIFFRACTION101CHAIN N AND (RESID 27 THROUGH 59 )
102X-RAY DIFFRACTION102CHAIN N AND (RESID 60 THROUGH 72 )
103X-RAY DIFFRACTION103CHAIN N AND (RESID 73 THROUGH 122 )
104X-RAY DIFFRACTION104CHAIN N AND (RESID 123 THROUGH 133 )
105X-RAY DIFFRACTION105CHAIN N AND (RESID 134 THROUGH 205 )
106X-RAY DIFFRACTION106CHAIN O AND (RESID 1 THROUGH 26 )
107X-RAY DIFFRACTION107CHAIN O AND (RESID 27 THROUGH 59 )
108X-RAY DIFFRACTION108CHAIN O AND (RESID 60 THROUGH 101 )
109X-RAY DIFFRACTION109CHAIN O AND (RESID 102 THROUGH 153 )
110X-RAY DIFFRACTION110CHAIN O AND (RESID 154 THROUGH 184 )
111X-RAY DIFFRACTION111CHAIN O AND (RESID 185 THROUGH 204 )
112X-RAY DIFFRACTION112CHAIN P AND (RESID 1 THROUGH 13 )
113X-RAY DIFFRACTION113CHAIN P AND (RESID 14 THROUGH 26 )
114X-RAY DIFFRACTION114CHAIN P AND (RESID 27 THROUGH 46 )
115X-RAY DIFFRACTION115CHAIN P AND (RESID 47 THROUGH 59 )
116X-RAY DIFFRACTION116CHAIN P AND (RESID 60 THROUGH 72 )
117X-RAY DIFFRACTION117CHAIN P AND (RESID 73 THROUGH 122 )
118X-RAY DIFFRACTION118CHAIN P AND (RESID 123 THROUGH 153 )
119X-RAY DIFFRACTION119CHAIN P AND (RESID 154 THROUGH 170 )
120X-RAY DIFFRACTION120CHAIN P AND (RESID 171 THROUGH 190 )
121X-RAY DIFFRACTION121CHAIN P AND (RESID 191 THROUGH 206 )
122X-RAY DIFFRACTION122CHAIN Q AND (RESID 1 THROUGH 26 )
123X-RAY DIFFRACTION123CHAIN Q AND (RESID 27 THROUGH 59 )
124X-RAY DIFFRACTION124CHAIN Q AND (RESID 60 THROUGH 72 )
125X-RAY DIFFRACTION125CHAIN Q AND (RESID 73 THROUGH 122 )
126X-RAY DIFFRACTION126CHAIN Q AND (RESID 123 THROUGH 170 )
127X-RAY DIFFRACTION127CHAIN Q AND (RESID 171 THROUGH 190 )
128X-RAY DIFFRACTION128CHAIN Q AND (RESID 191 THROUGH 205 )
129X-RAY DIFFRACTION129CHAIN R AND (RESID 1 THROUGH 13 )
130X-RAY DIFFRACTION130CHAIN R AND (RESID 14 THROUGH 26 )
131X-RAY DIFFRACTION131CHAIN R AND (RESID 27 THROUGH 46 )
132X-RAY DIFFRACTION132CHAIN R AND (RESID 47 THROUGH 59 )
133X-RAY DIFFRACTION133CHAIN R AND (RESID 60 THROUGH 72 )
134X-RAY DIFFRACTION134CHAIN R AND (RESID 73 THROUGH 122 )
135X-RAY DIFFRACTION135CHAIN R AND (RESID 123 THROUGH 133 )
136X-RAY DIFFRACTION136CHAIN R AND (RESID 134 THROUGH 153 )
137X-RAY DIFFRACTION137CHAIN R AND (RESID 154 THROUGH 204 )
138X-RAY DIFFRACTION138CHAIN S AND (RESID 1 THROUGH 13 )
139X-RAY DIFFRACTION139CHAIN S AND (RESID 14 THROUGH 26 )
140X-RAY DIFFRACTION140CHAIN S AND (RESID 27 THROUGH 59 )
141X-RAY DIFFRACTION141CHAIN S AND (RESID 60 THROUGH 72 )
142X-RAY DIFFRACTION142CHAIN S AND (RESID 73 THROUGH 122 )
143X-RAY DIFFRACTION143CHAIN S AND (RESID 123 THROUGH 133 )
144X-RAY DIFFRACTION144CHAIN S AND (RESID 134 THROUGH 170 )
145X-RAY DIFFRACTION145CHAIN S AND (RESID 171 THROUGH 190 )
146X-RAY DIFFRACTION146CHAIN S AND (RESID 191 THROUGH 205 )
147X-RAY DIFFRACTION147CHAIN T AND (RESID 1 THROUGH 13 )
148X-RAY DIFFRACTION148CHAIN T AND (RESID 14 THROUGH 26 )
149X-RAY DIFFRACTION149CHAIN T AND (RESID 27 THROUGH 59 )
150X-RAY DIFFRACTION150CHAIN T AND (RESID 60 THROUGH 72 )
151X-RAY DIFFRACTION151CHAIN T AND (RESID 73 THROUGH 101 )
152X-RAY DIFFRACTION152CHAIN T AND (RESID 102 THROUGH 122 )
153X-RAY DIFFRACTION153CHAIN T AND (RESID 123 THROUGH 153 )
154X-RAY DIFFRACTION154CHAIN T AND (RESID 154 THROUGH 170 )
155X-RAY DIFFRACTION155CHAIN T AND (RESID 171 THROUGH 190 )
156X-RAY DIFFRACTION156CHAIN T AND (RESID 191 THROUGH 205 )
157X-RAY DIFFRACTION157CHAIN U AND (RESID 1 THROUGH 26 )
158X-RAY DIFFRACTION158CHAIN U AND (RESID 27 THROUGH 59 )
159X-RAY DIFFRACTION159CHAIN U AND (RESID 60 THROUGH 72 )
160X-RAY DIFFRACTION160CHAIN U AND (RESID 73 THROUGH 133 )
161X-RAY DIFFRACTION161CHAIN U AND (RESID 134 THROUGH 149 )
162X-RAY DIFFRACTION162CHAIN U AND (RESID 150 THROUGH 170 )
163X-RAY DIFFRACTION163CHAIN U AND (RESID 171 THROUGH 190 )
164X-RAY DIFFRACTION164CHAIN U AND (RESID 191 THROUGH 205 )
165X-RAY DIFFRACTION165CHAIN V AND (RESID 1 THROUGH 13 )
166X-RAY DIFFRACTION166CHAIN V AND (RESID 14 THROUGH 26 )
167X-RAY DIFFRACTION167CHAIN V AND (RESID 27 THROUGH 59 )
168X-RAY DIFFRACTION168CHAIN V AND (RESID 60 THROUGH 72 )
169X-RAY DIFFRACTION169CHAIN V AND (RESID 73 THROUGH 122 )
170X-RAY DIFFRACTION170CHAIN V AND (RESID 123 THROUGH 153 )
171X-RAY DIFFRACTION171CHAIN V AND (RESID 154 THROUGH 170 )
172X-RAY DIFFRACTION172CHAIN V AND (RESID 171 THROUGH 190 )
173X-RAY DIFFRACTION173CHAIN V AND (RESID 191 THROUGH 205 )
174X-RAY DIFFRACTION174CHAIN W AND (RESID 1 THROUGH 26 )
175X-RAY DIFFRACTION175CHAIN W AND (RESID 27 THROUGH 59 )
176X-RAY DIFFRACTION176CHAIN W AND (RESID 60 THROUGH 72 )
177X-RAY DIFFRACTION177CHAIN W AND (RESID 73 THROUGH 122 )
178X-RAY DIFFRACTION178CHAIN W AND (RESID 123 THROUGH 154 )
179X-RAY DIFFRACTION179CHAIN W AND (RESID 155 THROUGH 170 )
180X-RAY DIFFRACTION180CHAIN W AND (RESID 171 THROUGH 190 )
181X-RAY DIFFRACTION181CHAIN W AND (RESID 191 THROUGH 205 )
182X-RAY DIFFRACTION182CHAIN X AND (RESID 1 THROUGH 13 )
183X-RAY DIFFRACTION183CHAIN X AND (RESID 14 THROUGH 26 )
184X-RAY DIFFRACTION184CHAIN X AND (RESID 27 THROUGH 59 )
185X-RAY DIFFRACTION185CHAIN X AND (RESID 60 THROUGH 72 )
186X-RAY DIFFRACTION186CHAIN X AND (RESID 73 THROUGH 122 )
187X-RAY DIFFRACTION187CHAIN X AND (RESID 123 THROUGH 153 )
188X-RAY DIFFRACTION188CHAIN X AND (RESID 154 THROUGH 170 )
189X-RAY DIFFRACTION189CHAIN X AND (RESID 171 THROUGH 190 )
190X-RAY DIFFRACTION190CHAIN X AND (RESID 191 THROUGH 205 )
191X-RAY DIFFRACTION191CHAIN Y AND (RESID 1 THROUGH 13 )
192X-RAY DIFFRACTION192CHAIN Y AND (RESID 14 THROUGH 26 )
193X-RAY DIFFRACTION193CHAIN Y AND (RESID 27 THROUGH 59 )
194X-RAY DIFFRACTION194CHAIN Y AND (RESID 60 THROUGH 72 )
195X-RAY DIFFRACTION195CHAIN Y AND (RESID 73 THROUGH 101 )
196X-RAY DIFFRACTION196CHAIN Y AND (RESID 102 THROUGH 133 )
197X-RAY DIFFRACTION197CHAIN Y AND (RESID 134 THROUGH 170 )
198X-RAY DIFFRACTION198CHAIN Y AND (RESID 171 THROUGH 190 )
199X-RAY DIFFRACTION199CHAIN Y AND (RESID 191 THROUGH 205 )
200X-RAY DIFFRACTION200CHAIN Z AND (RESID 1 THROUGH 26 )
201X-RAY DIFFRACTION201CHAIN Z AND (RESID 27 THROUGH 59 )
202X-RAY DIFFRACTION202CHAIN Z AND (RESID 60 THROUGH 72 )
203X-RAY DIFFRACTION203CHAIN Z AND (RESID 73 THROUGH 153 )
204X-RAY DIFFRACTION204CHAIN Z AND (RESID 154 THROUGH 170 )
205X-RAY DIFFRACTION205CHAIN Z AND (RESID 171 THROUGH 205 )
206X-RAY DIFFRACTION206CHAIN a AND (RESID 1 THROUGH 13 )
207X-RAY DIFFRACTION207CHAIN a AND (RESID 14 THROUGH 26 )
208X-RAY DIFFRACTION208CHAIN a AND (RESID 27 THROUGH 59 )
209X-RAY DIFFRACTION209CHAIN a AND (RESID 60 THROUGH 72 )
210X-RAY DIFFRACTION210CHAIN a AND (RESID 73 THROUGH 122 )
211X-RAY DIFFRACTION211CHAIN a AND (RESID 123 THROUGH 205 )
212X-RAY DIFFRACTION212CHAIN b AND (RESID 1 THROUGH 26 )
213X-RAY DIFFRACTION213CHAIN b AND (RESID 27 THROUGH 59 )
214X-RAY DIFFRACTION214CHAIN b AND (RESID 60 THROUGH 101 )
215X-RAY DIFFRACTION215CHAIN b AND (RESID 102 THROUGH 153 )
216X-RAY DIFFRACTION216CHAIN b AND (RESID 154 THROUGH 170 )
217X-RAY DIFFRACTION217CHAIN b AND (RESID 171 THROUGH 205 )
218X-RAY DIFFRACTION218CHAIN b AND (RESID 1 THROUGH 13 )
219X-RAY DIFFRACTION219CHAIN c AND (RESID 14 THROUGH 26 )
220X-RAY DIFFRACTION220CHAIN c AND (RESID 27 THROUGH 59 )
221X-RAY DIFFRACTION221CHAIN c AND (RESID 60 THROUGH 72 )
222X-RAY DIFFRACTION222CHAIN c AND (RESID 73 THROUGH 122 )
223X-RAY DIFFRACTION223CHAIN c AND (RESID 123 THROUGH 153 )
224X-RAY DIFFRACTION224CHAIN c AND (RESID 154 THROUGH 170 )
225X-RAY DIFFRACTION225CHAIN c AND (RESID 171 THROUGH 190 )
226X-RAY DIFFRACTION226CHAIN c AND (RESID 191 THROUGH 205 )
227X-RAY DIFFRACTION227CHAIN d AND (RESID 1 THROUGH 13 )
228X-RAY DIFFRACTION228CHAIN d AND (RESID 14 THROUGH 26 )
229X-RAY DIFFRACTION229CHAIN d AND (RESID 27 THROUGH 59 )
230X-RAY DIFFRACTION230CHAIN d AND (RESID 60 THROUGH 72 )
231X-RAY DIFFRACTION231CHAIN d AND (RESID 73 THROUGH 122 )
232X-RAY DIFFRACTION232CHAIN d AND (RESID 123 THROUGH 205 )
233X-RAY DIFFRACTION233CHAIN e AND (RESID 1 THROUGH 13 )
234X-RAY DIFFRACTION234CHAIN e AND (RESID 14 THROUGH 26 )
235X-RAY DIFFRACTION235CHAIN e AND (RESID 27 THROUGH 59 )
236X-RAY DIFFRACTION236CHAIN e AND (RESID 60 THROUGH 72 )
237X-RAY DIFFRACTION237CHAIN e AND (RESID 73 THROUGH 122 )
238X-RAY DIFFRACTION238CHAIN e AND (RESID 123 THROUGH 153 )
239X-RAY DIFFRACTION239CHAIN e AND (RESID 154 THROUGH 170 )
240X-RAY DIFFRACTION240CHAIN e AND (RESID 171 THROUGH 205 )
241X-RAY DIFFRACTION241CHAIN f AND (RESID 1 THROUGH 13 )
242X-RAY DIFFRACTION242CHAIN f AND (RESID 14 THROUGH 26 )
243X-RAY DIFFRACTION243CHAIN f AND (RESID 27 THROUGH 59 )
244X-RAY DIFFRACTION244CHAIN f AND (RESID 60 THROUGH 72 )
245X-RAY DIFFRACTION245CHAIN f AND (RESID 73 THROUGH 122 )
246X-RAY DIFFRACTION246CHAIN f AND (RESID 123 THROUGH 153 )
247X-RAY DIFFRACTION247CHAIN f AND (RESID 154 THROUGH 205 )
248X-RAY DIFFRACTION248CHAIN g AND (RESID 1 THROUGH 13 )
249X-RAY DIFFRACTION249CHAIN g AND (RESID 14 THROUGH 26 )
250X-RAY DIFFRACTION250CHAIN g AND (RESID 27 THROUGH 59 )
251X-RAY DIFFRACTION251CHAIN g AND (RESID 60 THROUGH 72 )
252X-RAY DIFFRACTION252CHAIN g AND (RESID 73 THROUGH 122 )
253X-RAY DIFFRACTION253CHAIN g AND (RESID 123 THROUGH 133 )
254X-RAY DIFFRACTION254CHAIN g AND (RESID 134 THROUGH 153 )
255X-RAY DIFFRACTION255CHAIN g AND (RESID 154 THROUGH 204 )
256X-RAY DIFFRACTION256CHAIN h AND (RESID 1 THROUGH 26 )
257X-RAY DIFFRACTION257CHAIN h AND (RESID 27 THROUGH 59 )
258X-RAY DIFFRACTION258CHAIN h AND (RESID 60 THROUGH 101 )
259X-RAY DIFFRACTION259CHAIN h AND (RESID 102 THROUGH 153 )
260X-RAY DIFFRACTION260CHAIN h AND (RESID 154 THROUGH 170 )
261X-RAY DIFFRACTION261CHAIN h AND (RESID 171 THROUGH 204 )
262X-RAY DIFFRACTION262CHAIN i AND (RESID 1 THROUGH 13 )
263X-RAY DIFFRACTION263CHAIN i AND (RESID 14 THROUGH 26 )
264X-RAY DIFFRACTION264CHAIN i AND (RESID 27 THROUGH 59 )
265X-RAY DIFFRACTION265CHAIN i AND (RESID 60 THROUGH 72 )
266X-RAY DIFFRACTION266CHAIN i AND (RESID 73 THROUGH 122 )
267X-RAY DIFFRACTION267CHAIN i AND (RESID 123 THROUGH 154 )
268X-RAY DIFFRACTION268CHAIN i AND (RESID 155 THROUGH 190 )
269X-RAY DIFFRACTION269CHAIN i AND (RESID 191 THROUGH 205 )
270X-RAY DIFFRACTION270CHAIN j AND (RESID 1 THROUGH 13 )
271X-RAY DIFFRACTION271CHAIN j AND (RESID 14 THROUGH 26 )
272X-RAY DIFFRACTION272CHAIN j AND (RESID 27 THROUGH 59 )
273X-RAY DIFFRACTION273CHAIN j AND (RESID 60 THROUGH 153 )
274X-RAY DIFFRACTION274CHAIN j AND (RESID 154 THROUGH 204 )
275X-RAY DIFFRACTION275CHAIN k AND (RESID 1 THROUGH 26 )
276X-RAY DIFFRACTION276CHAIN k AND (RESID 27 THROUGH 59 )
277X-RAY DIFFRACTION277CHAIN k AND (RESID 60 THROUGH 101 )
278X-RAY DIFFRACTION278CHAIN k AND (RESID 102 THROUGH 153 )
279X-RAY DIFFRACTION279CHAIN k AND (RESID 154 THROUGH 190 )
280X-RAY DIFFRACTION280CHAIN k AND (RESID 191 THROUGH 205 )
281X-RAY DIFFRACTION281CHAIN l AND (RESID 1 THROUGH 26 )
282X-RAY DIFFRACTION282CHAIN l AND (RESID 27 THROUGH 59 )
283X-RAY DIFFRACTION283CHAIN l AND (RESID 60 THROUGH 72 )
284X-RAY DIFFRACTION284CHAIN l AND (RESID 73 THROUGH 122 )
285X-RAY DIFFRACTION285CHAIN l AND (RESID 123 THROUGH 153 )
286X-RAY DIFFRACTION286CHAIN l AND (RESID 154 THROUGH 170 )
287X-RAY DIFFRACTION287CHAIN l AND (RESID 171 THROUGH 190 )
288X-RAY DIFFRACTION288CHAIN l AND (RESID 191 THROUGH 205 )
289X-RAY DIFFRACTION289CHAIN m AND (RESID 1 THROUGH 13 )
290X-RAY DIFFRACTION290CHAIN m AND (RESID 14 THROUGH 26 )
291X-RAY DIFFRACTION291CHAIN M AND (RESID 27 THROUGH 59 )
292X-RAY DIFFRACTION292CHAIN m AND (RESID 60 THROUGH 72 )
293X-RAY DIFFRACTION293CHAIN m AND (RESID 73 THROUGH 101 )
294X-RAY DIFFRACTION294CHAIN m AND (RESID 102 THROUGH 153 )
295X-RAY DIFFRACTION295CHAIN M AND (RESID 154 THROUGH 170 )
296X-RAY DIFFRACTION296CHAIN m AND (RESID 171 THROUGH 205 )
297X-RAY DIFFRACTION297CHAIN n AND (RESID 1 THROUGH 13 )
298X-RAY DIFFRACTION298CHAIN n AND (RESID 14 THROUGH 26 )
299X-RAY DIFFRACTION299CHAIN n AND (RESID 27 THROUGH 59 )
300X-RAY DIFFRACTION300CHAIN n AND (RESID 60 THROUGH 72 )
301X-RAY DIFFRACTION301CHAIN n AND (RESID 73 THROUGH 122 )
302X-RAY DIFFRACTION302CHAIN n AND (RESID 123 THROUGH 170 )
303X-RAY DIFFRACTION303CHAIN n AND (RESID 171 THROUGH 190 )
304X-RAY DIFFRACTION304CHAIN n AND (RESID 191 THROUGH 205 )

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