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- PDB-6ci9: RMM microcompartment-associated aminopropanol dehydrogenase NADP ... -

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Open data

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Basic information

Entry

Database: PDB / ID: 6ci9

Title

RMM microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone holo-structure

Components

3-oxoacyl-[acyl-carrier-protein] reductase

Keywords

OXIDOREDUCTASE / dehydrogenase / short-chain dehydrogenase/reductase

Function / homology

Function and homology information

3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity / nucleotide binding
Similarity search - Function

Biological species

Mycobacterium smegmatis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.9 Å

Authors

Mallette, E. / Kimber, M.S.

Funding support

Canada, 1items

Citation

Journal: Biochemistry / Year: 2018
Title: Structure and Kinetics of the S-(+)-1-Amino-2-propanol Dehydrogenase from the RMM Microcompartment of Mycobacterium smegmatis.
Authors: Mallette, E. / Kimber, M.S.

History

Deposition	Feb 23, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 30, 2018	Provider: repository / Type: Initial release
Revision 1.1	Jul 11, 2018	Group: Data collection / Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _citation_author.name
Revision 1.2	Feb 20, 2019	Group: Author supporting evidence / Data collection / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3	Jan 8, 2020	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4	Oct 4, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_symmetry / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_symmetry

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	6ci9.cif.gz	1.5 MB	Display	PDBx/mmCIF format
PDB format	pdb6ci9.ent.gz	1.3 MB	Display	PDB format
PDBx/mmJSON format	6ci9.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6ci9_validation.pdf.gz	9.9 MB	Display	wwPDB validaton report
Full document	6ci9_full_validation.pdf.gz	10 MB	Display
Data in XML	6ci9_validation.xml.gz	180.3 KB	Display
Data in CIF	6ci9_validation.cif.gz	241.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ci/6ci9 ftp://data.pdbj.org/pub/pdb/validation_reports/ci/6ci9	HTTPS FTP

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Related structure data

Related structure data	6ci8C 3rihS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4cql-2 4gh5-d 4rf2-1 4bqp-2 1zk3-1 4cql-3 5h5x-1 3rsh-1 4cqm-3 4d0s-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

6ci8C

3rihS

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#90 - Jun 2007 Fatty Acid Synthase similarity (1) #77 - May 2006 Glucose Oxidase similarity (1)

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Assembly

Deposited unit

A: 3-oxoacyl-[acyl-carrier-protein] reductase

B: 3-oxoacyl-[acyl-carrier-protein] reductase

C: 3-oxoacyl-[acyl-carrier-protein] reductase

D: 3-oxoacyl-[acyl-carrier-protein] reductase

E: 3-oxoacyl-[acyl-carrier-protein] reductase

F: 3-oxoacyl-[acyl-carrier-protein] reductase

G: 3-oxoacyl-[acyl-carrier-protein] reductase

H: 3-oxoacyl-[acyl-carrier-protein] reductase

I: 3-oxoacyl-[acyl-carrier-protein] reductase

J: 3-oxoacyl-[acyl-carrier-protein] reductase

K: 3-oxoacyl-[acyl-carrier-protein] reductase

L: 3-oxoacyl-[acyl-carrier-protein] reductase

M: 3-oxoacyl-[acyl-carrier-protein] reductase

N: 3-oxoacyl-[acyl-carrier-protein] reductase

O: 3-oxoacyl-[acyl-carrier-protein] reductase

P: 3-oxoacyl-[acyl-carrier-protein] reductase

hetero molecules

443 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: 3-oxoacyl-[acyl-carrier-protein] reductase

B: 3-oxoacyl-[acyl-carrier-protein] reductase

C: 3-oxoacyl-[acyl-carrier-protein] reductase

D: 3-oxoacyl-[acyl-carrier-protein] reductase

hetero molecules

defined by author&software
Evidence: homology
111 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

E: 3-oxoacyl-[acyl-carrier-protein] reductase

F: 3-oxoacyl-[acyl-carrier-protein] reductase

G: 3-oxoacyl-[acyl-carrier-protein] reductase

H: 3-oxoacyl-[acyl-carrier-protein] reductase

hetero molecules

defined by author&software
Evidence: homology
111 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

I: 3-oxoacyl-[acyl-carrier-protein] reductase

J: 3-oxoacyl-[acyl-carrier-protein] reductase

K: 3-oxoacyl-[acyl-carrier-protein] reductase

L: 3-oxoacyl-[acyl-carrier-protein] reductase

hetero molecules

defined by author&software
Evidence: homology
111 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

M: 3-oxoacyl-[acyl-carrier-protein] reductase

N: 3-oxoacyl-[acyl-carrier-protein] reductase

O: 3-oxoacyl-[acyl-carrier-protein] reductase

P: 3-oxoacyl-[acyl-carrier-protein] reductase

hetero molecules

defined by author&software
Evidence: homology
111 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	131.770, 129.060, 145.790
Angle α, β, γ (deg.)	90.000, 107.880, 90.000
Int Tables number	4
Space group name H-M	P12₁1

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Components

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Protein , 1 types, 16 molecules ABCDEFGHIJKLMNOP

#1: Protein	3-oxoacyl-[acyl-carrier-protein] reductase Mass: 26791.045 Da / Num. of mol.: 16 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155) (bacteria) Strain: ATCC 700084 / mc(2)155 / Gene: MSMEG_0269 / Plasmid: pET28a / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) References: UniProt: A0QP46, 3-oxoacyl-[acyl-carrier-protein] reductase

#1: Protein

3-oxoacyl-[acyl-carrier-protein] reductase

Mass: 26791.045 Da / Num. of mol.: 16
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155) (bacteria)
Strain: ATCC 700084 / mc(2)155 / Gene: MSMEG_0269 / Plasmid: pET28a / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)
References: UniProt: A0QP46, 3-oxoacyl-[acyl-carrier-protein] reductase

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Non-polymers , 5 types, 2555 molecules

#2: Chemical	ChemComp-NAP / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE Mass: 743.405 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C₂₁H₂₈N₇O₁₇P₃ / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-F3V / 1-aminopropan-2-one Mass: 73.094 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C₃H₇NO / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 17 / Source method: obtained synthetically / Formula: Cl
#5: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Mg
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 2498 / Source method: isolated from a natural source / Formula: H₂O

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Experimental details

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.75 Å³/Da / Density % sol: 55.31 %
Crystal grow	Temperature: 298 K / Method: evaporation / pH: 8.5 / Details: 0.1 M Tris, 0.2 M MgCl2, 13% PEG4000

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

CLSI

/ Beamline: 08ID-1 / Wavelength: 0.97949 Å

Detector

Type: RAYONIX MX-300 / Detector: CCD / Date: Aug 19, 2016

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97949 Å / Relative weight: 1

Reflection

Resolution: 1.54→48.495 Å / Num. obs: 561674 / % possible obs: 82.2 % / Redundancy: 3.288 % / CC_1/2: 0.996 / R_merge(I) obs: 0.137 / R_rim(I) all: 0.163 / Χ²: 1.003 / Net I/σ(I): 5.88 / Num. measured all: 1847055 / Scaling rejects: 837

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. possible	Num. unique obs	R_rim(I) all	% possible all	CC_1/2
1.54-1.58	1.874	4.686	0.13	27455	50429	14648	6.459	29
1.58-1.62	1.97	3.435	0.19	38847	49139	19723	4.693	40.1
1.62-1.67	2.064	2.906	0.24	51190	47789	24797	3.925	51.9	0.144
1.67-1.72	2.165	2.483	0.3	65043	46455	30048	3.309	64.7	0.177
1.72-1.78	2.302	2.138	0.39	80777	44951	35088	2.801	78.1	0.25
1.78-1.84	2.593	1.64	0.59	101248	43510	39044	2.083	89.7	0.401
1.84-1.91	3.265	1.349	0.97	134107	41993	41079	1.619	97.8	0.574
1.91-1.99	3.793	1.034	1.58	153039	40462	40352	1.207	99.7	0.767
1.99-2.08	3.795	0.761	2.27	146679	38733	38650	0.889	99.8	0.834
2.08-2.18	3.803	0.544	3.16	140871	37134	37041	0.635	99.7	0.903
2.18-2.3	3.804	0.403	4.18	133793	35250	35172	0.47	99.8	0.94
2.3-2.43	3.804	0.298	5.34	126737	33403	33319	0.348	99.7	0.966
2.43-2.6	3.801	0.215	6.9	119012	31387	31307	0.251	99.7	0.978
2.6-2.81	3.793	0.148	9.14	110595	29239	29156	0.173	99.7	0.989
2.81-3.08	3.776	0.098	12.06	101127	26918	26781	0.114	99.5	0.994
3.08-3.44	3.743	0.067	16.1	90476	24336	24175	0.079	99.3	0.996
3.44-3.98	3.699	0.05	20.73	78987	21551	21352	0.058	99.1	0.997
3.98-4.87	3.681	0.043	24.08	66682	18232	18114	0.05	99.4	0.997
4.87-6.89	3.708	0.041	23.36	52077	14140	14045	0.048	99.3	0.997
6.89-48.495	3.638	0.036	26.83	28313	7880	7783	0.042	98.8	0.998

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
PHENIX	1.12_2829	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing
RESOLVE		phasing
PDB_EXTRACT	3.24	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: pdbid 3RIH

3rih

Resolution: 1.9→48.495 Å / SU ML: 0.27 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 29.18 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.233	18113	5 %
R_work	0.2037	344258	-
obs	0.2052	362371	99.5 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 140.93 Å² / B_iso mean: 40.8965 Å² / B_iso min: 10.53 Å²

Refinement step

Cycle: final / Resolution: 1.9→48.495 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	29712	0	868	2498	33078
B_iso mean	-	-	34.55	42.24	-
Num. residues	-	-	-	-	4088

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	31037
X-RAY DIFFRACTION	f_angle_d	0.882	42321
X-RAY DIFFRACTION	f_chiral_restr	0.054	4995
X-RAY DIFFRACTION	f_plane_restr	0.005	5492
X-RAY DIFFRACTION	f_dihedral_angle_d	4.28	17935

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.9-1.9216	0.453	603	0.4176	11442	12045	99
1.9216-1.9442	0.4101	598	0.3837	11466	12064	99
1.9442-1.9679	0.389	603	0.3581	11432	12035	99
1.9679-1.9928	0.366	601	0.337	11402	12003	100
1.9928-2.019	0.3363	600	0.3172	11441	12041	100
2.019-2.0467	0.3284	606	0.3	11477	12083	100
2.0467-2.0759	0.3056	597	0.2802	11393	11990	100
2.0759-2.1069	0.2687	602	0.2607	11478	12080	99
2.1069-2.1399	0.2995	604	0.2586	11498	12102	100
2.1399-2.1749	0.2894	599	0.2484	11428	12027	100
2.1749-2.2124	0.2864	605	0.248	11493	12098	100
2.2124-2.2527	0.2779	601	0.2347	11407	12008	100
2.2527-2.296	0.2554	607	0.2293	11519	12126	100
2.296-2.3429	0.263	605	0.2244	11502	12107	100
2.3429-2.3938	0.259	604	0.2182	11449	12053	100
2.3938-2.4495	0.249	601	0.206	11434	12035	100
2.4495-2.5107	0.2389	604	0.2078	11470	12074	100
2.5107-2.5786	0.2386	602	0.2059	11478	12080	100
2.5786-2.6545	0.2479	604	0.2078	11471	12075	100
2.6545-2.7402	0.2459	608	0.2001	11533	12141	100
2.7402-2.8381	0.2315	603	0.192	11453	12056	100
2.8381-2.9517	0.2179	605	0.1855	11488	12093	99
2.9517-3.086	0.223	605	0.1924	11497	12102	99
3.086-3.2487	0.2233	603	0.1801	11447	12050	99
3.2487-3.4522	0.1935	603	0.1765	11468	12071	99
3.4522-3.7186	0.1899	604	0.17	11476	12080	99
3.7186-4.0927	0.1939	604	0.1586	11478	12082	99
4.0927-4.6845	0.1678	607	0.1508	11522	12129	99
4.6845-5.9003	0.1969	610	0.1646	11582	12192	99
5.9003-48.5104	0.1839	615	0.1735	11634	12249	99

Refinement TLS params.

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

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	2.4698	-0.5805	-0.1414	3.0513	0.886	2.7117	-0.0312	0.1123	0.202	0.1287	0.0605	-0.5988	-0.1765	0.357	-0.0839	0.1776	-0.0453	-0.0701	0.1972	0.0524	0.3577	217.441	-29.0473	202.1295
2	7.6664	2.5436	7.0923	4.4979	1.8268	9.1739	0.1314	0.3208	-0.1764	-0.0563	0.0168	-0.7661	0.0417	0.5966	-0.1738	0.1677	0.0116	0.0168	0.2669	0.0126	0.3411	217.9602	-34.2413	197.6053
3	2.2397	-1.0316	1.4093	1.8088	-0.7801	3.3997	0.1419	0.2199	-0.128	-0.1335	-0.122	-0.0475	0.0447	0.054	0.0124	0.175	-0.0162	-0.0109	0.1335	0.0022	0.1763	204.7959	-33.0774	192.8524
4	1.5002	-0.7407	0.9781	1.003	0.1539	1.2668	0.0454	0.107	0.0358	-0.0817	-0.1304	0.0146	-0.0203	0.0795	0.0874	0.1804	-0.0345	-0	0.1596	0.0225	0.1661	200.0068	-23.4923	198.2466
5	0.9241	0.6324	-0.8013	1.0086	-0.3695	5.4295	0.0603	0.9732	0.6219	-1.2013	-0.1078	-0.1549	-0.5905	-0.0993	0.0654	0.9105	0.0597	-0.0383	0.7264	0.2303	0.6836	212.5023	-9.8393	187.1613
6	2.6549	-1.341	0.5945	2.0549	0.4762	0.5733	-0.0724	0.171	0.2239	0.038	-0.0126	-0.4724	-0.0866	0.0987	0.0856	0.2387	-0.0534	-0.1001	0.1585	0.0137	0.2277	205.4278	-15.0425	204.4228
7	3.797	2.2316	1.1956	4.0693	5.0877	7.3483	-0.1352	-0.2346	-0.1164	0.3596	0.2656	-0.344	0.2332	0.5358	-0.212	0.485	0.0196	-0.3294	0.3092	0.0199	0.5262	217.2574	-15.7931	217.8424
8	2.9001	-0.0524	1.2325	0.7181	-0.0127	0.523	0.0132	-0.2986	-0.0998	0.2593	0.0613	-0.1032	0.198	-0.0131	-0.0724	0.6529	0.0359	-0.3174	0.2842	-0.019	0.2728	203.7266	-12.191	227.0348
9	1.3047	-1.069	-0.9893	1.6277	1.3874	2.9821	-0.046	-0.181	0.0444	0.0316	0.0359	0.0077	-0.1789	-0.0802	0.061	0.5301	0.0443	-0.3196	0.3178	-0.0536	0.3327	204.8327	-6.4429	229.7884
10	4.3318	-2.1061	2.3541	2.1146	-1.9043	2.475	-0.0005	-0.5339	-0.2162	0.175	0.1886	0.0083	0.2155	-0.1465	-0.1717	0.8204	0.1301	-0.2347	0.5591	0.0319	0.314	200.1667	-9.6246	238.6897
11	3.2657	-1.7091	2.0885	2.4587	-1.3074	3.4309	-0.0646	-0.2576	0.0379	0.18	0.0062	-0.1024	0.0246	0.1578	0.0415	0.6564	0.0642	-0.2885	0.4184	-0.0021	0.3064	204.7223	-6.049	232.1643
12	2.557	0.2202	0.9963	0.5628	0.1744	0.8168	-0.1239	-0.3212	0.2363	0.3777	0.0056	-0.0184	-0.2009	-0.1426	0.1618	0.5362	0.0463	-0.3157	0.2131	-0.0681	0.3146	196.1248	-0.0549	222.653
13	1.8918	-0.6251	0.8846	1.6495	0.4679	1.2115	-0.2732	-0.1605	0.1871	0.2079	0.0166	-0.0886	-0.1435	-0.0483	0.2356	0.3495	0.0108	-0.1363	0.1503	-0.0191	0.1999	194.1511	-6.321	212.7241
14	4.8172	2.0889	2.7035	6.1777	0.3151	1.807	0.2138	-0.9554	0.1957	0.8471	-0.1768	0.5405	0.01	-0.6774	-0.0904	0.4538	-0.0138	-0.1447	0.3577	-0.0592	0.3018	194.2454	-13.9564	220.4783
15	2.3415	0.6498	0.8551	4.9628	2.506	7.2445	-0.0466	-0.7461	-0.1991	0.8833	-0.1069	1.1435	0.4023	-1.4885	0.2024	0.5056	-0.0663	0.0847	0.5417	0.0856	0.461	186.0807	-26.0806	221.1418
16	1.2351	-0.2888	-0.1973	2.1811	-0.137	2.6107	-0.1735	-0.0336	0.2539	0.257	0.1173	-0.3298	0.0123	0.1037	0.0462	0.27	-0.0418	-0.1275	0.1427	0.0115	0.2598	205.0057	-14.4111	212.8234
17	6.5062	0.7778	2.1153	4.8179	2.7769	3.3586	0.3298	-0.8131	-0.6993	0.5002	-0.189	1.0048	1.1034	-1.036	-0.1031	0.325	-0.0862	-0.0275	0.255	0.0618	0.4059	185.5274	-25.5669	209.729
18	4.993	-3.6177	-5.2651	5.6125	4.0457	5.5694	0.1011	0.8327	-0.1208	-0.7835	-0.4003	0.6012	-0.2485	-0.9057	0.3031	0.4516	0.0627	-0.3003	0.4051	-0.142	0.7008	162.1109	-5.206	189.8021
19	1.9951	-0.2722	0.477	0.143	0.3624	1.8306	-0.2199	0.1077	0.1141	-0.4217	-0.1433	0.5234	-0.3803	-0.1884	0.359	0.4324	0.0789	-0.2672	0.2395	-0.0889	0.4887	170.1918	8.8617	197.5646
20	2.5931	1.0502	1.4257	6.8363	4.8202	5.0536	-0.3283	0.062	0.5476	-0.4414	-0.1027	0.2675	-0.8405	-0.1415	0.412	0.5167	0.0842	-0.2934	0.2363	-0.0665	0.5558	170.201	20.3194	198.4718
21	2.3428	0.0392	0.5691	1.2837	-0.3056	1.4172	-0.1898	-0.0916	0.1314	-0.0038	-0.0324	0.3688	-0.316	-0.2912	0.1944	0.3956	0.0784	-0.2355	0.2192	-0.1118	0.4376	172.5722	9.4599	205.6183
22	2.1753	-0.5559	0.1264	2.0417	0.2868	1.971	-0.2356	-0.042	0.1991	0.0553	-0.0304	0.2301	-0.2832	-0.1986	0.2186	0.3044	0.0364	-0.139	0.1385	-0.0277	0.2689	180.4276	0.5383	205.8476
23	0.7874	-1.2296	-0.1713	2.1251	-0.4713	2.8859	-0.0734	0.1487	0.2511	-0.3246	-0.1819	0.0735	-0.3019	-0.0006	0.2353	0.3349	0.0062	-0.1726	0.1983	-0.0027	0.2947	182.0418	-1.0522	192.104
24	5.6461	-2.4558	4.2032	8.6429	2.9011	6.0797	-0.0292	1.2978	1.1746	-1.2377	-0.1688	-0.9996	-0.8807	0.8155	0.1273	0.4364	-0.0428	-0.0252	0.3175	0.1191	0.3516	197.2852	-4.1088	188.6268
25	0.4158	-0.1736	0.1444	0.265	0.1087	0.6047	0.0019	0.034	-0.108	-0.1479	-0.1791	0.3011	-0.0462	-0.2638	-0.0836	0.4496	0.0296	-0.5915	0.3496	-0.2177	0.4953	170.0035	-20.7292	178.8983
26	1.1467	0.0345	0.849	0.2765	-0.0342	1.4958	0.0052	0.1909	-0.149	-0.2284	-0.2468	0.2803	0.1037	-0.1602	-0.2778	0.4884	0.0725	-0.3727	0.3365	-0.1402	0.3248	179.4797	-26.4863	177.5975
27	1.6546	-0.5911	0.5911	1.2385	0.5323	1.6633	0.0965	0.0995	-0.1924	-0.2277	-0.1998	0.3555	-0.0237	-0.1381	0.0666	0.2962	-0.0144	-0.1406	0.1917	-0.0301	0.2914	182.241	-20.7721	189.1567
28	6.7583	-1.9606	5.6996	2.8972	-0.7328	7.4553	0.1146	-1.1138	-0.8921	1.0944	0.1182	0.8241	0.8362	-1.3348	-0.2631	0.4799	-0.0889	0.0056	0.3394	0.0337	0.4013	178.0075	-20.2823	210.0829
29	5.9648	-4.907	0.2171	8.7824	-1.8543	4.7991	-0.0905	-0.5736	0.3073	0.4656	0.2191	-0.1653	-0.0977	-0.0472	-0.1213	0.6185	-0.0928	-0.1088	0.3441	-0.026	0.2248	107.457	-4.2039	300.8039
30	0.8612	-0.5413	-0.1043	1.4385	0.3002	3.3695	-0.0385	-0.2071	0.0693	0.2118	0.1232	-0.23	0.0945	0.3007	-0.0316	0.5283	-0.024	-0.2697	0.2549	0.0149	0.2951	122.497	-10.3242	293.0205
31	1.8756	-0.2897	-1.8442	6.4435	6.1655	7.7665	-0.0013	-0.5247	0.2674	0.1749	0.2076	-0.5877	-0.2828	0.7801	-0.2285	0.564	0.0269	-0.3165	0.4894	-0.0998	0.4925	134.0966	-11.2092	294.2156
32	1.3883	1.0161	2.1119	3.6923	3.2198	5.9916	-0.0549	-0.2243	0.0844	0.2611	0.1506	-0.1951	0.1709	0.2412	-0.1164	0.5436	0.0289	-0.3002	0.3543	-0.0102	0.3601	126.0406	-14.738	295.5119
33	1.5376	-0.5075	0.7812	0.5588	-1.1246	6.3406	0.0328	-0.0349	-0.1107	0.1112	0.0561	-0.048	0.4601	0.2835	-0.1113	0.6937	0.0406	-0.3273	0.2617	0.0477	0.2776	122.3392	-24.7479	295.3899
34	2.2414	-0.1676	-1.6599	1.1128	0.2533	1.8527	0.1313	0.1298	-0.0231	0.1589	-0.122	-0.3496	-0.2936	-0.0062	0.0191	0.3489	0.0052	-0.1622	0.2024	0.0261	0.2856	123.5456	-14.9478	277.0678
35	3.0686	0.2604	-3.7974	1.1626	-0.6571	8.4097	-0.0041	-0.0397	-0.1693	0.2532	-0.0405	-0.2355	0.4783	0.207	0.0826	0.4651	0.0046	-0.1899	0.1824	0.0131	0.2442	119.071	-22.6853	281.6533
36	0.8516	-0.2921	0.1984	1.5313	0.552	2.0052	0.1142	-0.0259	0.0185	0.1404	0.0087	-0.0942	0.3249	0.068	-0.105	0.2637	-0.0107	-0.0875	0.1361	0.0195	0.1599	113.1795	-14.4923	277.507
37	3.0137	0.4127	-0.5973	4.8624	-1.4798	5.1644	-0.0403	0.2018	0.1649	0.1075	-0.0586	-0.7878	-0.0493	0.6712	0.1319	0.3384	0.0063	-0.143	0.2219	0.014	0.2678	120.0908	-6.8863	280.9305
38	4.7211	-2.5452	-0.5365	3.5461	0.733	2.0934	0.121	0.4829	0.536	-0.3195	-0.0277	-0.6621	-0.426	0.4503	-0.1028	0.3981	-0.081	-0.0965	0.3412	0.0412	0.4099	124.1701	5.0585	273.799
39	1.0456	0.3108	0.2252	1.1062	-0.2428	1.2679	0.0073	-0.1098	0.0092	0.2595	-0.0565	-0.0507	0.0336	0.0567	0.0505	0.369	-0.0607	-0.0899	0.1696	0.0324	0.1865	108.5605	-6.4189	287.3284
40	6.5081	-1.9952	5.1545	2.2114	-1.5793	4.2885	-0.1564	0.7652	0.6859	-0.7295	-0.2581	-0.564	-0.6505	1.0521	0.3826	0.3765	-0.0164	0.0331	0.2294	0.0424	0.2796	113.7822	4.1247	269.0102
41	1.9798	-1.3927	0.0217	3.2782	-0.0185	2.5502	-0.0956	-0.3506	-0.1246	0.6297	-0.0033	0.3205	0.0775	-0.4079	0.0992	0.358	-0.0693	0.0628	0.2606	-0.0556	0.1818	93.2341	8.3631	293.7363
42	3.3283	-0.9845	2.3269	4.7991	-2.4446	7.0593	-0.1717	-0.6191	0.1205	0.6689	-0.0175	0.3534	-0.4435	-0.6655	0.1923	0.3461	-0.0414	0.0462	0.3231	-0.0832	0.2429	89.2849	13.6205	292.4999
43	3.8048	1.6126	2.7188	3.1282	1.6922	4.7554	-0.0008	-0.0259	0.0883	0.1267	-0.1874	0.3071	-0.2594	-0.3165	0.2066	0.196	0.0137	0.0175	0.1954	-0.0108	0.1748	89.4749	11.836	280.9256
44	0.9169	-0.1449	0.5707	1.9969	0.7221	2.2183	-0.0243	-0.0583	0.1098	-0.0614	-0.1918	0.1639	-0.1683	-0.2104	0.1975	0.2592	-0.0074	-0.048	0.1634	0.0051	0.1633	95.8176	6.0436	276.1325
45	0.7007	0.9822	0.6926	1.5047	1.0313	0.9039	0.0448	0.1045	-0.288	0.0362	-0.1663	0.9077	0.355	-0.6021	0.1428	0.6834	-0.1787	-0.1129	0.6694	-0.1247	0.7769	82.222	-11.1378	282.9617
46	0.8233	-0.6818	-0.751	0.7466	0.1681	1.8553	0.0008	-0.0526	-0.0298	0.2406	-0.0672	0.1107	0.1196	-0.2117	0.0725	0.3104	-0.0668	-0.0579	0.173	0.0352	0.1656	100.8061	-5.7737	284.0811
47	1.119	0.0244	0.8866	0.7806	0.3087	2.5042	0.1352	0.2416	-0.0838	-0.3234	-0.0205	0.022	0.1342	0.0971	0.0059	0.687	0.1515	-0.273	0.4033	0.0366	0.1836	94.9708	-5.3317	242.101
48	0.9812	-0.3228	0.6465	0.2134	-0.6978	2.6154	-0.0324	0.214	0.2065	-0.1581	-0.1577	-0.032	-0.6095	0.148	0.261	0.8873	0.1516	-0.2766	0.4483	0.0393	0.2396	90.8264	7.5078	239.6887
49	1.1697	-0.1133	0.4204	0.8151	-0.4328	5.741	0.0202	0.217	0.1049	-0.192	-0.1955	-0.0187	-0.0041	-0.0117	0.1103	0.71	0.1367	-0.284	0.386	0.0087	0.2926	88.0944	4.6686	241.1379
50	0.4525	0.3072	0.442	0.6213	0.7522	1.6148	-0.0805	0.1593	0.2005	-0.2342	-0.036	0.1933	-0.3112	-0.1308	0.2253	0.6645	0.141	-0.3241	0.3384	-0.0348	0.3049	87.9	6.1039	252.5409
51	1.031	-0.1505	0.4678	1.3652	0.1505	1.6367	-0.0033	0.0641	0.0354	-0.3361	-0.1434	0.246	-0.2964	-0.2368	0.1802	0.3993	0.0569	-0.1688	0.239	-0.0244	0.2279	91.3941	0.9556	260.0365
52	2.6759	-0.938	-0.0786	0.4471	-0.542	2.7726	-0.0454	0.6374	0.725	-0.3423	0.0146	0.1051	-0.6298	0.149	0.0504	0.7054	0.0398	-0.209	0.3352	0.1023	0.3106	100.8348	2.728	252.8826
53	2.3906	-0.51	-0.2473	0.2235	-0.4821	2.6184	0.1582	0.2605	0.404	-0.2799	-0.1616	0.0662	-0.3748	0.1445	0.0202	0.5454	0.0587	-0.101	0.2254	0.0285	0.2146	105.2409	-3.1251	252.3595
54	5.4486	-1.4419	5.0199	2.0208	-0.501	5.7428	-0.5787	0.908	1.1953	-0.4805	0.0624	-0.2937	-1.1329	1.0765	0.4773	0.4057	-0.0458	-0.005	0.3196	0.1051	0.2988	116.1945	-0.2824	261.8187
55	3.282	-1.8766	-1.6836	2.4611	-1.0159	4.0628	0.2272	0.8145	0.0668	-0.608	-0.2799	0.1844	-0.0874	-0.3355	0.0442	0.8343	0.112	-0.1051	0.4415	0.0285	0.2731	106.579	-15.5899	238.6799
56	1.2871	-0.4337	0.6749	0.5873	-1.4053	3.5114	0.2506	0.2306	-0.1247	-0.4359	-0.1543	0.0828	0.1726	-0.0085	-0.087	0.5994	0.093	-0.1245	0.2488	-0.0113	0.2109	109.8988	-29.6556	249.3539
57	6.9083	-3.4472	5.4034	4.0146	-2.8357	4.2345	0.1877	0.0352	-0.3872	-0.1143	0.123	0.1433	0.6409	-0.2719	-0.2887	0.713	0.0795	-0.1525	0.2872	-0.0278	0.2416	110.7476	-41.1308	249.7122
58	1.2198	1.0565	-0.0433	1.6893	0.4982	2.5925	0.148	0.2904	-0.1807	-0.5797	-0.0459	-0.1766	0.2861	0.3708	-0.1186	0.5962	0.17	-0.0124	0.3003	-0.0423	0.2322	118.8156	-31.783	248.435
59	1.8018	0.1402	0.3961	2.3677	-1.1084	3.6375	0.2141	0.057	-0.1298	0.1006	-0.0331	-0.069	0.2701	-0.0141	-0.1734	0.4535	0.0391	-0.123	0.1801	-0.0108	0.175	113.7957	-28.4274	267.5926
60	1.0446	-0.5773	0.6358	1.4178	0.5986	1.5826	0.1337	0.1349	0.0793	-0.1935	-0.0313	-0.195	0.2074	0.1162	-0.1013	0.3316	0.0163	-0.034	0.1433	0.0245	0.1712	114.5621	-17.9075	260.3309
61	6.5478	0.9734	-1.7045	5.2101	-1.5605	1.5843	0.0827	0.4634	-1.3102	-0.2616	-0.1479	0.2159	1.2538	-0.1027	0.1053	0.7478	-0.0437	-0.1818	0.2705	-0.0916	0.4557	99.3968	-32.6083	263.374
62	2.3374	-0.3909	0.7129	1.5592	1.0148	1.0827	0.2795	0.0836	-0.1976	-0.1275	-0.2786	0.204	0.2757	-0.1871	0.0093	0.4333	0.0004	-0.1212	0.1951	-0.0111	0.1737	99.8667	-19.7444	257.6779
63	7.1527	-1.9258	0.9073	4.3156	3.309	3.6217	-0.1017	-0.1257	-0.3635	0.3255	-0.0945	0.7669	0.5549	-0.6308	0.2305	0.3065	-0.0285	-0.054	0.2275	-0.0487	0.26	92.7282	-15.8802	268.4046
64	6.5664	-3.3955	-0.301	7.0583	-2.2382	6.1589	-0.037	-0.4338	0.1529	0.4224	0.0939	0.0901	-0.1065	-0.0926	-0.0496	0.7609	-0.1526	-0.0333	0.4859	0.061	0.3876	174.3119	-11.2176	300.4655
65	1.7278	-1.3135	-1.3297	2.8317	1.5338	5.7429	-0.046	-0.1435	0.1344	0.4186	0.082	-0.3703	0.0202	0.4255	-0.0342	0.4757	-0.0619	-0.1327	0.3919	0.0616	0.4719	188.9397	-16.3017	292.6811
66	0.8121	-0.9859	-1.9465	5.2347	5.1345	6.643	-0.1912	-0.3527	0.22	0.1904	0.0873	-0.7708	-0.2944	0.5977	0.1055	0.5405	0.0232	-0.235	0.6109	0.0985	0.6605	200.4697	-16.872	293.5392
67	2.7067	-0.2847	-0.5558	2.6063	0.888	5.4464	0.0519	-0.1113	-0.1613	0.6669	0.0252	-0.5745	0.4041	0.5439	-0.0713	0.4093	-0.014	-0.1714	0.3643	0.0589	0.5304	190.4183	-23.8237	287.8826
68	2.1956	-0.9563	-0.75	2.9011	0.2118	5.0954	0.0223	0.0566	-0.0516	0.2801	-0.049	-0.3565	0.177	0.2651	0.0197	0.2617	-0.0414	-0.06	0.3058	0.0505	0.3947	182.7768	-21.4474	279.3284
69	1.5508	-0.9768	0.8983	2.823	1.3114	2.1202	-0.0454	0.3081	0.3186	-0.0111	-0.0015	-0.3178	-0.0085	0.2935	0.0292	0.2767	-0.0634	-0.027	0.3551	0.0832	0.4221	181.6052	-7.4684	281.6959
70	2.5493	-0.2298	-0.037	3.3328	3.0675	2.8341	0.1821	0.4987	0.7562	-0.3421	-0.1977	-0.5332	-1.141	0.8871	-0.0125	0.3647	-0.1493	0.0398	0.4709	0.1644	0.6082	179.3837	-2.06	270.006
71	4.8883	0.4309	-0.6092	3.005	-1.6809	7.3058	0.1525	0.54	0.2127	-0.8089	-0.088	0.2825	-0.0658	-0.3215	-0.0567	0.6633	0.0859	-0.0248	0.4181	-0.029	0.4007	173.18	-30.379	245.676
72	1.9663	0.095	2.0256	1.0807	-0.5277	4.0578	0.2031	0.2803	-0.2974	-0.1581	-0.0991	0.0775	0.2803	0.0424	-0.0922	0.6471	0.151	-0.0336	0.4765	-0.0576	0.4194	177.6678	-43.0214	249.2289
73	5.4067	1.7664	3.2744	3.5973	2.0761	2.321	0.1463	0.5427	-0.1606	-0.6959	-0.1144	-0.0103	0.2135	0.3683	-0.0233	0.5597	0.1118	0.0593	0.4829	-0.0278	0.4413	180.0418	-39.411	247.9302
74	1.4073	0.3369	0.2296	2.208	-1.6421	4.8954	0.1079	0.12	-0.3088	-0.237	-0.3323	-0.4309	0.4563	0.5002	0.2361	0.5018	0.0939	0.0127	0.3397	0.0442	0.5101	183.2778	-34.9189	258.1797
75	2.1286	-0.8408	0.4641	2.1097	0.4841	2.9142	0.1588	0.1651	-0.1051	-0.1752	-0.0722	-0.1459	0.2726	0.1554	-0.0789	0.3074	0.0092	0.0147	0.3312	0.0229	0.3838	181.3418	-26.5016	262.5996
76	4.297	0.3577	-0.2872	3.1233	0.66	3.0977	0.1933	0.0363	-0.5707	-0.0476	-0.2521	0.2111	0.5487	-0.1562	0.0715	0.4313	0.0312	-0.085	0.3331	-0.0147	0.4386	167.3445	-27.7205	258.5036
77	5.6581	1.6045	3.6671	7.1259	1.5227	5.8867	-0.2292	-0.1845	-0.7659	1.0439	0.0643	1.9519	1.2833	-2.367	0.1535	0.5197	-0.1103	0.1237	0.6451	0.0695	0.8316	156.1878	-23.139	270.1128
78	2.9997	-0.1881	0.1908	3.1203	-0.2946	2.2795	0.2374	0.5844	-0.2512	-0.8612	-0.2953	0.4115	0.1912	0.0375	0.062	0.6462	0.1151	-0.1782	0.5696	-0.0601	0.4906	160.3708	-11.7455	242.2147
79	0.6536	0.4269	-0.2151	1.6276	1.176	3.4278	0.1583	0.4389	0.1121	-0.746	-0.3474	0.5534	-0.3153	-0.2609	0.1776	0.8222	0.1912	-0.3577	0.6078	-0.0634	0.6627	151.627	-1.344	242.3125
80	0.1472	0.3901	-0.0679	6.6512	3.4057	5.3556	0.1251	-0.0168	-0.0315	-0.3041	-0.2611	0.2671	-0.3047	-0.156	0.1242	0.2962	0.0236	-0.0946	0.3094	0.0188	0.4079	159.1085	3.9249	259.6403
81	0.3151	-0.9271	-0.2776	3.2231	0.8373	3.4575	0.074	0.1189	-0.1806	-0.2689	-0.2291	0.5218	0.0218	-0.234	0.156	0.2722	0.0164	-0.0601	0.3103	-0.0186	0.438	157.1897	-7.9557	259.6506
82	3.7945	-1.2896	-0.4344	1.7993	-0.5732	4.1865	0.1017	0.3435	0.7102	-0.4401	-0.2911	0.1838	-0.6093	0.1607	0.2029	0.4964	0.0561	-0.106	0.4127	-0.0002	0.4237	169.3289	-7.2197	252.1327
83	3.3372	-2.3107	3.3349	2.6056	-1.6771	3.7297	-0.2303	0.5025	0.8801	-0.1155	-0.2862	-0.4444	-0.5609	0.8335	0.4794	0.2799	-0.0056	0.0594	0.4069	0.0638	0.4836	177.9462	-8.5089	260.1532
84	2.5682	-0.8861	0.6048	3.3212	-0.1295	3.049	0.0028	-0.3843	-0.3894	0.5238	-0.1455	0.667	0.148	-0.5955	0.1239	0.4558	-0.1209	0.147	0.4494	-0.0532	0.5048	159.4115	2.042	293.8596
85	2.1335	0.3081	1.8821	2.4818	-1.2581	5.7789	0.0089	-0.3991	-0.0324	0.4877	0.056	0.4292	-0.27	-0.745	-0.0647	0.4496	-0.0136	0.2108	0.4724	-0.0577	0.5889	155.5761	7.1324	292.5228
86	2.4475	0.8881	1.2752	2.6538	1.3	3.207	0.1054	0.1117	-0.175	0.0621	-0.1751	0.4178	-0.0494	-0.2561	0.0557	0.2241	-0.021	0.0813	0.4068	-0.0237	0.5894	155.356	5.4226	281.062
87	2.2462	1.355	3.233	1.1565	1.8697	4.8047	0.0199	-0.1737	-0.0063	-0.0166	-0.1729	0.7522	-0.0816	-0.8296	0.1452	0.2992	0.0356	0.0526	0.52	-0.0394	0.8315	149.7532	0.8463	270.7769
88	8.7206	1.1975	6.9546	2.381	1.2337	6.6397	-0.1629	0.0918	0.4088	0.0633	-0.0475	0.0351	-0.5703	-0.008	0.1885	0.3581	-0.0251	0.0399	0.3505	-0.0124	0.3843	164.5773	10.7848	279.1765
89	0.5798	-0.874	0.4904	2.0283	0.6098	3.005	-0.0297	-0.1037	-0.1137	0.0409	-0.1887	0.257	0.0371	-0.3317	0.1725	0.2085	-0.0311	0.0477	0.3832	0.0076	0.4115	163.5977	-3.6098	276.5782
90	0.8646	1.3958	0.8	2.5856	1.1307	0.8167	-0.0197	0.041	-0.1804	0.0316	-0.0175	0.584	0.1221	-0.3539	0.0513	0.6847	-0.2122	0.1482	0.7621	-0.1951	0.9038	148.5862	-17.5277	283.2963
91	0.4697	-0.6416	0.1445	2.4016	1.7803	2.7216	0.0228	-0.0973	-0.1861	0.4088	-0.1212	0.2403	0.2935	-0.2544	0.0903	0.3239	-0.0612	0.0329	0.3449	0.0333	0.3893	167.3196	-11.5569	284.3613
92	2.2316	-0.0644	-0.4172	1.4225	0.2463	1.055	0.0387	0.292	0.1765	-0.0039	-0.0055	-0.7063	-0.0721	0.6963	-0.0719	0.2976	0.014	0.0011	0.5836	0.1271	0.9639	151.7152	-35.1849	202.0749
93	7.3673	2.6026	6.6527	2.8264	3.172	8.1009	0.273	0.229	-0.16	0.1916	-0.0019	-0.8308	0.2817	0.6246	-0.2798	0.3021	0.0633	-0.0298	0.6754	0.1159	0.8839	152.3222	-40.3056	197.9559
94	1.0707	-0.4086	0.959	1.5771	-0.8874	2.7263	0.117	0.398	0.0715	-0.0823	-0.175	-0.5426	0.1081	0.3608	0.0724	0.2583	0.0257	0.0277	0.4771	0.0602	0.658	139.3048	-38.9999	192.8926
95	0.6259	-0.4762	0.6479	0.9992	0.1634	1.3523	0.0797	0.1726	0.2165	0.0862	-0.2284	-0.4493	-0.0558	0.466	0.1601	0.2269	-0.0483	-0.0269	0.4265	0.0948	0.558	132.7971	-30.0388	197.2819
96	2.6345	-1.3399	1.9751	5.4649	0.2954	1.8311	-0.1091	0.839	0.3496	-0.915	-0.2475	-1.0934	-0.0684	0.6477	0.3632	0.4117	-0.018	0.0374	0.6021	0.1113	0.7242	142.6574	-25.6502	196.0963
97	0.3221	-0.7923	0.0092	1.951	-0.0235	0.0002	-0.0479	0.683	0.425	-0.5055	0.0086	-0.4994	-0.2087	0.341	0.0589	0.467	-0.1429	-0.0392	0.8046	0.3359	1.0732	145.9293	-11.9661	192.7915
98	2.3253	-0.1689	-0.3653	1.5628	0.5772	0.4526	-0.057	0.2889	0.2899	-0.0299	-0.1419	-0.6431	-0.0122	0.3561	0.2287	0.2425	-0.0701	-0.0501	0.3911	0.1054	0.6445	138.2971	-22.7994	205.7056
99	4.2013	0.1381	-0.6875	3.2904	3.8075	4.5768	-0.2047	-0.1048	-0.0196	0.0555	-0.065	0.0601	-0.0392	0.3097	0.2587	0.4738	-0.0547	-0.2773	0.5892	0.0706	1.0886	151.2795	-21.9869	218.1117
100	2.8232	-1.5341	0.4516	1.9007	0.3665	1.3596	-0.1828	-0.2914	0.3	0.3925	0.1122	-0.3942	-0.0015	0.1866	0.0333	0.6211	-0.0486	-0.3206	0.4098	0.0068	0.68	137.7771	-16.7812	228.0571
101	4.6957	-2.6644	1.6194	2.5985	-2.603	3.1697	0.0614	-0.4126	-0.0577	0.8779	-0.0338	-0.3469	0.2965	0.2289	-0.0217	0.7959	0.0506	-0.3476	0.6056	-0.0912	0.6677	133.5813	-15.9457	239.2446
102	2.5015	0.7215	0.9242	0.8723	-0.9936	2.7385	-0.2174	-0.3567	0.7178	0.4864	-0.2036	-0.3912	-0.404	0.1205	0.4147	0.7815	-0.03	-0.4024	0.4675	-0.0744	0.8235	139.1019	-7.3898	230.8211
103	3.1471	-1.1504	-1.9284	2.0751	-0.3616	1.8755	-0.0045	0.1605	-0.5185	0.3446	-0.0539	-0.2111	-0.0131	-0.0527	0.0555	0.451	-0.0091	-0.1884	0.3138	-0.0492	0.4399	123.0926	-12.1097	221.7687
104	9.7018	0.2483	1.0961	1.7318	-0.9301	1.1196	-0.0902	-0.8609	0.688	0.674	-0.0508	-0.3094	-0.4675	-0.0198	0.1348	0.5409	0.0022	-0.1443	0.4246	-0.1096	0.4695	118.3453	-5.9955	221.6875
105	1.8183	-0.2143	0.1659	0.9661	0.7811	1.7616	-0.222	-0.1262	0.2185	0.1569	-0.0049	-0.4664	-0.2199	0.0231	0.2116	0.3839	-0.0232	-0.2243	0.3524	0.0745	0.6743	131.5632	-10.6859	216.5408
106	0.1808	-0.4525	-0.0108	1.5048	-0.0191	2.5446	-0.1053	-0.0358	0.3834	0.0801	-0.199	-0.3789	-0.2913	0.1604	0.2738	0.349	-0.0849	-0.1681	0.3695	0.0415	0.6236	131.3586	-10.1349	211.3041
107	2.9911	0.4229	-3.5552	7.7654	2.948	5.8383	-0.081	-0.73	-0.221	0.9539	-0.0502	0.2027	0.5458	-0.2173	0.118	0.5642	0.0257	-0.0742	0.5657	0.0282	0.5188	121.7142	-24.5897	226.5768
108	0.1634	-0.5382	0.161	1.8022	-0.3803	2.6737	0.0598	-0.0557	0.2426	0.2811	-0.0314	-0.1133	0.1374	-0.0673	-0.0142	0.37	-0.03	-0.154	0.3342	0.0208	0.5227	131.1007	-25.5963	216.6557
109	3.3334	-3.9746	0.6638	4.9194	-0.1693	2.2876	-0.1737	0.1283	-0.0663	-0.008	0.0852	0.4546	0.5011	-0.5416	0.1237	0.3488	-0.1277	-0.0039	0.3857	0.033	0.438	123.0055	-29.0365	209.6556
110	9.9069	-4.1952	-7.3307	2.8978	3.8122	5.8814	0.1	0.6439	-0.0881	-0.4629	-0.4485	0.6763	-0.3503	-0.785	0.3344	0.4385	0.0149	-0.2252	0.5426	0.0085	0.9543	96.5596	-10.2744	190.1353
111	2.0346	-0.2233	0.4241	1.3853	0.8325	2.1914	-0.0091	0.0636	0.0215	-0.236	-0.2624	0.2623	-0.2522	-0.3667	0.2495	0.4535	0.0242	-0.2333	0.419	-0.0654	0.7767	104.5479	2.8458	197.1886
112	0.2028	0.3576	1.2284	3.5326	2.7915	7.5676	-0.1774	0.0279	0.2749	-0.0853	-0.0188	0.0069	-0.3294	-0.0334	0.1829	0.509	0.0825	-0.2881	0.5305	-0.0663	0.9307	104.5064	14.1695	198.0877
113	1.6504	0.499	-0.5735	2.259	-0.2811	2.0069	-0.0262	0.0282	0.0437	-0.0341	-0.1258	0.1906	-0.2874	-0.3501	0.1457	0.3878	0.0421	-0.1976	0.3758	-0.0836	0.7058	106.781	3.4372	205.315
114	1.8636	0.0188	0.1381	2.1906	0.3311	2.3843	-0.2885	-0.0697	0.4054	0.0568	-0.0164	-0.0135	-0.2632	-0.1107	0.3026	0.2859	-0.0228	-0.1168	0.3333	-0.0093	0.5632	114.0691	-6.5713	208.0484
115	1.2785	-0.6053	-0.6433	2.9545	-0.3844	3.6473	-0.1157	0.1455	0.5586	-0.2098	-0.2526	-0.1753	-0.4188	0.0754	0.3483	0.3057	-0.0271	-0.1298	0.3503	0.0558	0.6326	118.0221	-5.9765	193.3064
116	2.7883	-1.7335	-0.1872	5.109	0.2338	2.6881	0.0223	0.1911	0.097	-0.5652	-0.2778	0.8713	-0.2474	-0.6134	0.2373	0.4002	0.0183	-0.1568	0.5607	-0.0228	0.4972	104.8753	-21.318	180.2906
117	4.1876	-2.2689	-0.1293	5.1	0.3131	1.8505	0.1467	0.1178	-0.3361	-0.4874	-0.3031	0.7559	0.3576	-0.5416	0.1454	0.606	-0.0443	-0.2773	0.5903	-0.0424	0.5941	104.6305	-34.1554	175.3196
118	5.9052	-3.3509	1.3404	3.241	-0.9544	3.6086	0.3535	0.5792	-0.5745	-0.6259	-0.3659	0.7291	0.1634	-0.5455	0.0267	0.5611	-0.0074	-0.1884	0.4574	-0.0997	0.6112	107.0946	-31.1769	173.6663
119	2.6687	-1.4491	0.4645	4.5829	-1.5835	2.7909	0.1503	0.3145	-0.2471	-0.4981	-0.0664	0.267	0.0799	-0.3384	-0.1128	0.328	-0.0266	-0.0719	0.3766	-0.0231	0.4441	117.4488	-32.6895	178.6808
120	4.7982	-4.6126	3.3571	4.5297	-3.0059	2.8754	0.1238	0.1178	-0.1943	-0.285	-0.1096	0.2634	0.2524	-0.1331	-0.0158	0.3089	-0.0062	0.0048	0.4171	0.027	0.453	124.5235	-35.2087	182.4198
121	1.1757	-0.871	0.9405	1.2777	-0.2989	1.0028	0.06	0.1425	0.092	-0.162	-0.1962	-0.0277	-0.1111	0.1303	0.0953	0.2319	-0.071	0.1157	0.461	0.0866	0.4219	121.6969	-24.4559	186.421
122	3.3549	-1.0524	-0.3244	1.0962	-0.5338	4.9867	-0.0444	0.1951	-0.612	-0.2596	-0.028	0.3735	0.6125	-0.5857	0.0403	0.3712	-0.0433	-0.1009	0.4531	-0.0719	0.5338	111.8882	-29.4266	190.3751
123	3.7821	1.171	-0.4622	1.0261	1.0474	2.2061	-0.0756	0.0214	-0.2414	-0.1141	-0.1503	0.1183	0.3684	-0.2158	0.201	0.2673	0.0153	-0.0549	0.3608	0.0023	0.479	108.9176	-23.9205	194.0243
124	4.3575	0.3256	4.2019	1.0854	2.0576	6.9158	0.2769	-0.3699	-0.196	0.0812	0.0672	0.3323	0.8197	-1.0632	-0.3393	0.2382	-0.0426	-0.0113	0.3237	-0.0065	0.5124	113.3392	-24.5122	203.9169

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid -1 through 50 )	A	-1 - 50
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 51 through 67 )	A	51 - 67
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 68 through 133 )	A	68 - 133
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 134 through 192 )	A	134 - 192
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 193 through 209 )	A	193 - 209
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 210 through 253 )	A	210 - 253
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 0 through 8 )	B	0 - 8
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 9 through 30 )	B	9 - 30
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 31 through 39 )	B	31 - 39
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 40 through 50 )	B	40 - 50
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 51 through 67 )	B	51 - 67
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 68 through 133 )	B	68 - 133
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 134 through 178 )	B	134 - 178
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 179 through 199 )	B	179 - 199
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 200 through 217 )	B	200 - 217
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 218 through 243 )	B	218 - 243
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 244 through 254 )	B	244 - 254
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 0 through 8 )	C	0 - 8
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 9 through 40 )	C	9 - 40
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 41 through 49 )	C	41 - 49
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 50 through 104 )	C	50 - 104
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 105 through 199 )	C	105 - 199
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 200 through 243 )	C	200 - 243
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 244 through 256 )	C	244 - 256
25	X-RAY DIFFRACTION	25	chain 'D' and (resid -1 through 50 )	D	-1 - 50
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 51 through 104 )	D	51 - 104
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 105 through 243 )	D	105 - 243
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 244 through 256 )	D	244 - 256
29	X-RAY DIFFRACTION	29	chain 'E' and (resid -1 through 8 )	E	-1 - 8
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 9 through 39 )	E	9 - 39
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 40 through 50 )	E	40 - 50
32	X-RAY DIFFRACTION	32	chain 'E' and (resid 51 through 67 )	E	51 - 67
33	X-RAY DIFFRACTION	33	chain 'E' and (resid 68 through 82 )	E	68 - 82
34	X-RAY DIFFRACTION	34	chain 'E' and (resid 83 through 104 )	E	83 - 104
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 105 through 133 )	E	105 - 133
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 134 through 178 )	E	134 - 178
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 179 through 199 )	E	179 - 199
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 200 through 217 )	E	200 - 217
39	X-RAY DIFFRACTION	39	chain 'E' and (resid 218 through 243 )	E	218 - 243
40	X-RAY DIFFRACTION	40	chain 'E' and (resid 244 through 256 )	E	244 - 256
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 0 through 50 )	F	0 - 50
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 51 through 67 )	F	51 - 67
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 68 through 104 )	F	68 - 104
44	X-RAY DIFFRACTION	44	chain 'F' and (resid 105 through 192 )	F	105 - 192
45	X-RAY DIFFRACTION	45	chain 'F' and (resid 193 through 209 )	F	193 - 209
46	X-RAY DIFFRACTION	46	chain 'F' and (resid 210 through 253 )	F	210 - 253
47	X-RAY DIFFRACTION	47	chain 'G' and (resid -1 through 29 )	G	-1 - 29
48	X-RAY DIFFRACTION	48	chain 'G' and (resid 30 through 50 )	G	30 - 50
49	X-RAY DIFFRACTION	49	chain 'G' and (resid 51 through 67 )	G	51 - 67
50	X-RAY DIFFRACTION	50	chain 'G' and (resid 68 through 104 )	G	68 - 104
51	X-RAY DIFFRACTION	51	chain 'G' and (resid 105 through 178 )	G	105 - 178
52	X-RAY DIFFRACTION	52	chain 'G' and (resid 179 through 199 )	G	179 - 199
53	X-RAY DIFFRACTION	53	chain 'G' and (resid 200 through 243 )	G	200 - 243
54	X-RAY DIFFRACTION	54	chain 'G' and (resid 244 through 256 )	G	244 - 256
55	X-RAY DIFFRACTION	55	chain 'H' and (resid 0 through 8 )	H	0 - 8
56	X-RAY DIFFRACTION	56	chain 'H' and (resid 9 through 40 )	H	9 - 40
57	X-RAY DIFFRACTION	57	chain 'H' and (resid 41 through 49 )	H	41 - 49
58	X-RAY DIFFRACTION	58	chain 'H' and (resid 50 through 82 )	H	50 - 82
59	X-RAY DIFFRACTION	59	chain 'H' and (resid 83 through 116 )	H	83 - 116
60	X-RAY DIFFRACTION	60	chain 'H' and (resid 117 through 187 )	H	117 - 187
61	X-RAY DIFFRACTION	61	chain 'H' and (resid 188 through 199 )	H	188 - 199
62	X-RAY DIFFRACTION	62	chain 'H' and (resid 200 through 243 )	H	200 - 243
63	X-RAY DIFFRACTION	63	chain 'H' and (resid 244 through 256 )	H	244 - 256
64	X-RAY DIFFRACTION	64	chain 'I' and (resid 0 through 8 )	I	0 - 8
65	X-RAY DIFFRACTION	65	chain 'I' and (resid 9 through 39 )	I	9 - 39
66	X-RAY DIFFRACTION	66	chain 'I' and (resid 40 through 50 )	I	40 - 50
67	X-RAY DIFFRACTION	67	chain 'I' and (resid 51 through 104 )	I	51 - 104
68	X-RAY DIFFRACTION	68	chain 'I' and (resid 105 through 199 )	I	105 - 199
69	X-RAY DIFFRACTION	69	chain 'I' and (resid 200 through 239 )	I	200 - 239
70	X-RAY DIFFRACTION	70	chain 'I' and (resid 240 through 257 )	I	240 - 257
71	X-RAY DIFFRACTION	71	chain 'J' and (resid 0 through 30 )	J	0 - 30
72	X-RAY DIFFRACTION	72	chain 'J' and (resid 31 through 50 )	J	31 - 50
73	X-RAY DIFFRACTION	73	chain 'J' and (resid 51 through 67 )	J	51 - 67
74	X-RAY DIFFRACTION	74	chain 'J' and (resid 68 through 104 )	J	68 - 104
75	X-RAY DIFFRACTION	75	chain 'J' and (resid 105 through 178 )	J	105 - 178
76	X-RAY DIFFRACTION	76	chain 'J' and (resid 179 through 243 )	J	179 - 243
77	X-RAY DIFFRACTION	77	chain 'J' and (resid 244 through 256 )	J	244 - 256
78	X-RAY DIFFRACTION	78	chain 'K' and (resid -1 through 29 )	K	-1 - 29
79	X-RAY DIFFRACTION	79	chain 'K' and (resid 30 through 82 )	K	30 - 82
80	X-RAY DIFFRACTION	80	chain 'K' and (resid 83 through 116 )	K	83 - 116
81	X-RAY DIFFRACTION	81	chain 'K' and (resid 117 through 178 )	K	117 - 178
82	X-RAY DIFFRACTION	82	chain 'K' and (resid 179 through 239 )	K	179 - 239
83	X-RAY DIFFRACTION	83	chain 'K' and (resid 240 through 253 )	K	240 - 253
84	X-RAY DIFFRACTION	84	chain 'L' and (resid 0 through 50 )	L	0 - 50
85	X-RAY DIFFRACTION	85	chain 'L' and (resid 51 through 67 )	L	51 - 67
86	X-RAY DIFFRACTION	86	chain 'L' and (resid 68 through 104 )	L	68 - 104
87	X-RAY DIFFRACTION	87	chain 'L' and (resid 105 through 116 )	L	105 - 116
88	X-RAY DIFFRACTION	88	chain 'L' and (resid 117 through 133 )	L	117 - 133
89	X-RAY DIFFRACTION	89	chain 'L' and (resid 134 through 192 )	L	134 - 192
90	X-RAY DIFFRACTION	90	chain 'L' and (resid 193 through 209 )	L	193 - 209
91	X-RAY DIFFRACTION	91	chain 'L' and (resid 210 through 252 )	L	210 - 252
92	X-RAY DIFFRACTION	92	chain 'M' and (resid 0 through 50 )	M	0 - 50
93	X-RAY DIFFRACTION	93	chain 'M' and (resid 51 through 67 )	M	51 - 67
94	X-RAY DIFFRACTION	94	chain 'M' and (resid 68 through 133 )	M	68 - 133
95	X-RAY DIFFRACTION	95	chain 'M' and (resid 134 through 178 )	M	134 - 178
96	X-RAY DIFFRACTION	96	chain 'M' and (resid 179 through 199 )	M	179 - 199
97	X-RAY DIFFRACTION	97	chain 'M' and (resid 200 through 217 )	M	200 - 217
98	X-RAY DIFFRACTION	98	chain 'M' and (resid 218 through 253 )	M	218 - 253
99	X-RAY DIFFRACTION	99	chain 'N' and (resid 0 through 8 )	N	0 - 8
100	X-RAY DIFFRACTION	100	chain 'N' and (resid 9 through 39 )	N	9 - 39
101	X-RAY DIFFRACTION	101	chain 'N' and (resid 40 through 50 )	N	40 - 50
102	X-RAY DIFFRACTION	102	chain 'N' and (resid 51 through 82 )	N	51 - 82
103	X-RAY DIFFRACTION	103	chain 'N' and (resid 83 through 104 )	N	83 - 104
104	X-RAY DIFFRACTION	104	chain 'N' and (resid 105 through 116 )	N	105 - 116
105	X-RAY DIFFRACTION	105	chain 'N' and (resid 117 through 154 )	N	117 - 154
106	X-RAY DIFFRACTION	106	chain 'N' and (resid 155 through 187 )	N	155 - 187
107	X-RAY DIFFRACTION	107	chain 'N' and (resid 188 through 199 )	N	188 - 199
108	X-RAY DIFFRACTION	108	chain 'N' and (resid 200 through 239 )	N	200 - 239
109	X-RAY DIFFRACTION	109	chain 'N' and (resid 240 through 253 )	N	240 - 253
110	X-RAY DIFFRACTION	110	chain 'O' and (resid 1 through 8 )	O	1 - 8
111	X-RAY DIFFRACTION	111	chain 'O' and (resid 9 through 40 )	O	9 - 40
112	X-RAY DIFFRACTION	112	chain 'O' and (resid 41 through 49 )	O	41 - 49
113	X-RAY DIFFRACTION	113	chain 'O' and (resid 50 through 104 )	O	50 - 104
114	X-RAY DIFFRACTION	114	chain 'O' and (resid 105 through 178 )	O	105 - 178
115	X-RAY DIFFRACTION	115	chain 'O' and (resid 179 through 252 )	O	179 - 252
116	X-RAY DIFFRACTION	116	chain 'P' and (resid -1 through 29 )	P	-1 - 29
117	X-RAY DIFFRACTION	117	chain 'P' and (resid 30 through 50 )	P	30 - 50
118	X-RAY DIFFRACTION	118	chain 'P' and (resid 51 through 67 )	P	51 - 67
119	X-RAY DIFFRACTION	119	chain 'P' and (resid 68 through 104 )	P	68 - 104
120	X-RAY DIFFRACTION	120	chain 'P' and (resid 105 through 125 )	P	105 - 125
121	X-RAY DIFFRACTION	121	chain 'P' and (resid 126 through 178 )	P	126 - 178
122	X-RAY DIFFRACTION	122	chain 'P' and (resid 179 through 199 )	P	179 - 199
123	X-RAY DIFFRACTION	123	chain 'P' and (resid 200 through 239 )	P	200 - 239
124	X-RAY DIFFRACTION	124	chain 'P' and (resid 240 through 253 )	P	240 - 253

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