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- PDB-4eml: Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A s... -

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Open data

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Basic information

Entry

Database: PDB / ID: 4eml

Title

Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with bicarbonate

Components

Naphthoate synthase

Keywords

LYASE / 1 / 4-dihydroxy-2-naphthoyl-coenzyme A / synthase

Function / homology

Function and homology information

Lyase 2-enoyl-coa Hydratase, Chain A, domain 2 / Lyase 2-enoyl-coa Hydratase; Chain A, domain 2 / Enoyl-CoA hydratase/isomerase / 2-enoyl-CoA Hydratase; Chain A, domain 1 / 2-enoyl-CoA Hydratase; Chain A, domain 1 / Alpha-Beta Complex / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology

Biological species

Synechocystis sp. (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.043 Å

Authors

Song, H.G.

Citation

Journal: Biochemistry / Year: 2012
Title: Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Authors: Sun, Y.R. / Song, H.G. / Li, J. / Jiang, M. / Li, Y. / Zhou, J.H. / Guo, Z.H.

History

Deposition	Apr 12, 2012	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Jun 20, 2012	Provider: repository / Type: Initial release
Revision 1.1	Jul 3, 2013	Group: Database references
Revision 1.2	Mar 20, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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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	4eml.cif.gz	633.5 KB	Display	PDBx/mmCIF format
PDB format	pdb4eml.ent.gz	531 KB	Display	PDB format
PDBx/mmJSON format	4eml.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/em/4eml ftp://data.pdbj.org/pub/pdb/validation_reports/em/4eml	HTTPS FTP

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Related structure data

Related structure data	4elsC 4elwC 4elxC C: citing same article (ref.)
Similar structure data	6ojm-2 1uiy-1 6ojm-1 2qq3-1 2pbp-2 4jyl-d 1q52-1 6ojm-3 Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#244 - Apr 2020 Photosynthetic Supercomplexes similarity (1) #49 - Jan 2004 Carbonic Anhydrase similarity (1) #59 - Nov 2004 Photosystem II similarity (1)

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Assembly

Deposited unit

A: Naphthoate synthase

B: Naphthoate synthase

C: Naphthoate synthase

D: Naphthoate synthase

E: Naphthoate synthase

F: Naphthoate synthase

hetero molecules

184 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	244.623, 140.063, 73.458
Angle α, β, γ (deg.)	90.00, 95.63, 90.00
Int Tables number	5
Space group name H-M	C121

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Components

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein	Naphthoate synthase / 1 / 4-dihydroxy-2-naphthoyl-coA synthase Mass: 30343.508 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Synechocystis sp. (bacteria) / Strain: PCC 6803 / Kazusa / Gene: menB, sll1127, SYNGTS_0961 / Production host: Escherichia coli (E. coli) References: UniProt: P73495, 1,4-dihydroxy-2-naphthoyl-CoA synthase

#1: Protein

Naphthoate synthase / 1 / 4-dihydroxy-2-naphthoyl-coA synthase

Mass: 30343.508 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Synechocystis sp. (bacteria) / Strain: PCC 6803 / Kazusa / Gene: menB, sll1127, SYNGTS_0961 / Production host:

Escherichia coli (E. coli)
References: UniProt: P73495, 1,4-dihydroxy-2-naphthoyl-CoA synthase

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Non-polymers , 6 types, 958 molecules

#2: Chemical	ChemComp-BCT / BICARBONATE ION Mass: 61.017 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: CHO₃ / Comment: pH buffer*YM
#3: Chemical	ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL Mass: 118.174 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₆H₁₄O₂ / Comment: precipitant*YM
#4: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#5: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₃H₈O₃
#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.: 938 / 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: 3.44 Å³/Da / Density % sol: 64.24 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.1 Details: 0.15M ammonium acetate, 0.02M L-proline, 0.1M bis-tris buffer (pH 6.1), 45% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.979 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Sep 10, 2011
Radiation	Monochromator: SAGITALLY FOCUSED Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 2.04→48.62 Å / Num. obs: 155103 / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / B_iso Wilson estimate: 27.98 Å²

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Processing

Software

Name	Version	Classification
HKL-2000		data collection
PHASES		phasing
PHENIX	(phenix.refine: 1.7.3_928)	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.043→48.619 Å / Occupancy max: 1 / Occupancy min: 0.28 / SU ML: 0.15 / σ(F): 1.34 / Phase error: 17.75 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1963	7658	5.03 %
R_work	0.1654	-	-
obs	0.1669	152173	97.92 %
all	-	155103	-

Solvent computation

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

Displacement parameters

B_iso mean: 38.2836 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.3963 Å²	-0 Å²	7.0251 Å²
2-	-	2.0651 Å²	0 Å²
3-	-	-	-1.6687 Å²

Refinement step

Cycle: LAST / Resolution: 2.043→48.619 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12108	0	98	938	13144

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	12505
X-RAY DIFFRACTION	f_angle_d	0.976	16896
X-RAY DIFFRACTION	f_dihedral_angle_d	12.539	4585
X-RAY DIFFRACTION	f_chiral_restr	0.067	1785
X-RAY DIFFRACTION	f_plane_restr	0.005	2203

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
2.0431-2.0663	0.2267	252	0.1836	4500	94
2.0663-2.0906	0.2001	260	0.1661	4942	100
2.0906-2.1161	0.2181	246	0.1617	4880	100
2.1161-2.1429	0.2051	257	0.1577	4925	100
2.1429-2.1711	0.1787	266	0.145	4896	100
2.1711-2.2008	0.2045	250	0.1456	4898	100
2.2008-2.2322	0.1653	246	0.1419	4954	100
2.2322-2.2656	0.1882	271	0.15	4832	100
2.2656-2.301	0.1998	269	0.157	4928	100
2.301-2.3387	0.1895	239	0.1483	4900	100
2.3387-2.379	0.1965	243	0.1453	4951	100
2.379-2.4223	0.1716	252	0.143	4874	100
2.4223-2.4689	0.1804	285	0.1461	4916	100
2.4689-2.5193	0.1721	272	0.1423	4907	100
2.5193-2.574	0.1791	266	0.1407	4851	100
2.574-2.6339	0.1762	258	0.142	4948	100
2.6339-2.6998	0.1798	257	0.146	4922	100
2.6998-2.7728	0.1794	264	0.1454	4870	100
2.7728-2.8543	0.2023	245	0.1445	4928	100
2.8543-2.9465	0.1572	260	0.1381	4949	100
2.9465-3.0518	0.1953	242	0.1471	4912	100
3.0518-3.1739	0.1899	252	0.1492	4896	100
3.1739-3.3183	0.1747	278	0.1547	4843	99
3.3183-3.4932	0.1937	246	0.1568	4908	99
3.4932-3.712	0.1923	242	0.1533	4718	96
3.712-3.9985	0.1822	252	0.1614	4648	94
3.9985-4.4007	0.1849	248	0.1631	4349	88
4.4007-5.0369	0.2058	233	0.1825	4276	87
5.0369-6.3437	0.2206	272	0.217	4707	95
6.3437-48.6328	0.2765	235	0.2588	4487	89

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	7.128	-0.7226	2.6361	8.2925	2.2093	4.8385	-0.1182	-0.8048	-0.1095	0.6367	-0.4143	-1.8747	-0.4947	1.1696	0.1376	0.4825	-0.0986	-0.0294	0.4166	0.0501	0.3847	66.5409	31.8699	55.1777
2	3.377	-1.5179	-0.3312	3.7418	0.1574	1.653	-0.1999	-0.06	0.3494	0.2648	0.0427	-0.1539	-0.5336	0.1861	-0.0006	0.4316	-0.0336	-0.0382	0.1504	-0.0024	0.2377	57.7911	35.7505	49.5256
3	3.7171	-1.0131	1.0501	4.7986	0.1112	6.551	-0.2951	-0.3635	0.564	0.3439	-0.093	0.1122	-0.9587	-0.486	0.0311	0.4676	0.1303	-0.0263	0.2792	-0.0206	0.3754	43.7126	40.0573	52.3106
4	4.2026	-0.486	-2.1303	4.2223	1.8219	4.0457	0.2678	0.4182	0.4112	-0.2606	-0.2087	-0.1571	-0.5226	-0.2711	0.0267	0.5076	-0.0292	-0.0344	0.1912	0.0294	0.2343	51.9536	34.0044	41.9974
5	5.2529	-1.3413	-1.6808	4.5315	0.8185	6.6791	0.1111	0.4065	0.4226	-0.3337	0.03	-0.3281	-0.7861	-0.0288	0.0275	0.3875	-0.0488	-0.0192	0.188	0.0176	0.2513	61.6457	26.0343	43.0316
6	3.8134	-0.3905	-0.2027	3.6435	4.2326	5.3113	-0.1735	-0.5486	0.291	0.6088	-0.1305	0.2768	-1.132	-0.3374	0.2905	0.7499	0.0998	0.0148	0.2794	-0.042	0.2941	48.5042	36.341	61.2058
7	5.1881	-0.4597	0.3756	4.5547	0.3698	5.3457	-0.4083	-0.2965	0.664	-0.0612	-0.0595	0.5997	-1.0238	-0.8172	0.3905	0.6085	0.1411	0.0055	0.2956	-0.0514	0.4109	41.6717	35.6108	56.7339
8	3.7114	-0.6237	-1.4135	3.1431	-0.7998	2.9178	-0.5736	0.333	1.4613	-0.2032	0.005	0.1453	-1.3938	0.0491	0.3867	0.5716	0.0259	-0.1556	0.2494	0.0658	0.4429	42.0383	32.828	38.2703
9	1.4511	-0.1353	0.4848	0.7557	-0.188	1.4325	-0.2081	-0.0666	-0.0501	0.1405	0.0413	0.1059	-0.0494	-0.2027	0.0428	0.2756	0.0196	-0.0092	0.1499	0.0097	0.1714	47.434	24.8069	47.8522
10	2.6421	0.111	0.3231	1.7106	1.2138	1.5443	-0.0243	-0.0025	0.0547	0.075	0.0401	0.0444	-0.0725	-0.023	0.0339	0.2602	0.0391	0.0058	0.1413	-0.0079	0.1552	47.2257	21.8291	53.8679
11	5.3056	-0.6768	3.7672	0.7482	-1.1012	3.3359	-0.1054	-0.5821	0.2937	0.1254	0.057	0.0738	-0.3401	-0.5226	0.1598	0.3345	0.1186	0.0178	0.3002	-0.0438	0.2736	35.302	27.4722	57.2256
12	1.5927	0.2994	0.5357	0.8332	-0.274	0.9502	-0.002	-0.1778	0.1909	0.135	-0.0116	0.095	-0.2028	-0.3476	0.0115	0.2592	0.0726	0.0176	0.2895	0.0113	0.2458	33.7664	19.0203	52.1157
13	6.5552	-3.174	0.3676	3.0717	3.4061	8.7036	-0.2813	-0.9477	-0.3053	1.0579	0.1229	0.3102	-0.2089	0.0052	-0.0279	0.5269	0.083	0.0666	0.3507	0.113	0.3008	41.6217	15.6789	64.0057
14	2.2133	0.4988	-0.8079	1.7909	0.2374	2.7346	0.0696	0.0031	-0.0933	0.0194	0.0071	-0.1122	-0.2844	0.1007	-0.0949	0.3356	0.0367	-0.0125	0.1915	0.0196	0.1939	48.4871	19.3148	61.9938
15	7.7826	-3.8516	-6.0216	3.4001	5.6301	9.4116	0.0915	-0.8869	-0.0316	0.7336	0.1029	-0.5351	0.1216	0.7488	-0.2985	0.369	-0.0303	-0.0604	0.2393	0.0208	0.2387	59.6594	21.7242	59.9161
16	1.2116	0.4547	0.1738	0.8309	0.3897	0.881	-0.0047	-0.0876	0.0276	0.1376	-0.0075	0.0148	0.013	-0.0082	0.0294	0.2454	0.0102	0.0004	0.1743	0.0144	0.2334	53.9659	13.2576	40.7562
17	3.2868	-0.0363	-0.8031	2.1064	0.7159	2.6435	0.0586	-0.1495	0.1748	0.0662	0.0158	-0.0637	-0.3181	0.2524	-0.0627	0.2357	-0.0343	-0.0037	0.1738	-0.0019	0.2361	59.8846	11.8671	29.8608
18	8.6548	4.4388	-3.3321	3.3208	-3.0215	3.1955	0.0935	0.1572	0.0465	0.1205	-0.534	-1.2334	-0.4217	0.8237	0.0179	0.3227	-0.0679	-0.0042	0.3302	0.0521	0.4536	69.7059	9.3929	20.9596
19	3.1869	3.2031	-2.058	3.7322	-1.8193	3.1282	0.4471	0.2963	0.9236	-0.8756	0.1271	-0.8671	-1.5999	0.6918	-0.0715	0.5933	-0.0474	0.1196	0.505	0.0624	0.6299	70.945	12.1721	12.7737
20	4.7789	3.7725	-1.8816	9.5088	-6.162	9.1741	-0.0811	0.0505	-0.1262	-0.4487	0.1443	-0.4025	0.2555	0.2987	0.1563	0.2188	0.0376	-0.0177	0.2408	-0.0613	0.3013	64.9879	-2.0307	20.9085
21	9.5757	-1.1612	-1.841	1.6001	-2.4848	5.4057	0.3758	0.9746	-0.9769	-0.3683	-0.0783	0.232	0.628	-0.6514	0.6474	0.1313	-0.0739	0.1341	1.1363	-0.0021	0.703	-0.94	-1.3223	19.5855
22	1.889	-0.238	-0.6452	1.9849	-0.2912	1.0937	0.0176	0.2828	0.0524	-0.2618	-0.0984	0.4592	-0.1465	-1.2005	0.0264	0.2158	0.0605	-0.0052	0.9273	-0.0581	0.4268	1.9259	6.9579	22.0928
23	7.5337	-1.3602	2.7219	4.1759	-0.9174	4.4908	-0.2385	0.2984	0.8477	-0.2644	-0.0151	0.4376	-0.7077	-0.7426	0.1656	0.3699	0.1398	0.005	0.8996	0.0258	0.5314	5.5942	20.4596	18.9236
24	6.2521	-2.0192	0.0278	8.1001	0.1632	0.006	0.12	-0.5202	0.3248	0.8565	-0.0367	0.5999	-0.2485	-1.0087	-0.0159	0.3808	0.1716	0.041	0.8432	-0.0656	0.4195	4.4295	17.0263	29.9581
25	1.8834	-0.1307	-0.125	1.824	-0.0368	2.2789	-0.0835	-0.3339	-0.0433	0.5285	0.1811	0.6134	-0.2165	-1.0968	0.0156	0.22	0.0388	0.0319	0.843	-0.0244	0.3789	6.373	6.123	30.4999
26	8.3244	-0.4256	1.2911	3.5984	-1.5243	4.6401	0.1647	-0.3162	-0.3231	0.5862	-0.3201	0.2717	-0.0245	-1.0111	0.1914	0.2957	-0.082	0.0874	0.7161	-0.0218	0.4496	6.9474	-6.2155	30.7246
27	2.1214	0.2098	0.6923	2.2619	-0.4089	2.4405	-0.0265	0.3577	0.099	0.1394	-0.4282	0.2136	-0.1474	-0.3764	0.1179	0.1969	0.0915	-0.0309	0.7159	-0.0457	0.3578	7.3773	6.5897	17.4826
28	3.2032	0.1921	2.4255	2.2722	0.0761	2.1601	0.0168	0.4094	0.5897	-0.2925	-0.2807	0.2599	-0.6955	-0.761	0.3861	0.3672	0.2107	-0.0338	0.9366	-0.0041	0.4767	7.818	18.7035	13.7762
29	6.8962	1.1872	0.7501	8.842	-0.4754	9.3614	-0.0308	-0.1287	0.5489	0.0561	-0.5442	0.8001	-0.2798	-0.6895	0.4212	0.2571	0.0424	-0.0089	0.5968	-0.1151	0.4487	13.2648	14.9662	33.525
30	1.1926	0.174	0.0939	2.308	-0.6307	2.929	-0.0266	0.1922	-0.0314	0.01	-0.2168	-0.0647	0.0422	-0.3056	0.1582	0.1587	0.0389	-0.0041	0.5958	0.0092	0.303	15.4607	7.0326	23.0058
31	1.679	0.1074	0.5171	1.8202	0.0884	1.1214	-0.0728	0.2059	0.0838	0.0876	-0.0061	0.1529	-0.0062	-0.196	0.0785	0.2149	0.0469	-0.02	0.5502	0.0051	0.3021	17.6819	10.2244	16.9311
32	1.4495	1.2402	0.7409	3.5227	3.4188	3.5026	-0.1364	0.254	0.2678	-0.2672	-0.0941	0.1544	-0.4452	-0.3851	0.1709	0.3493	0.1605	-0.0502	0.4634	0.0544	0.3495	19.9311	23.2221	17.6402
33	1.2797	0.1539	0.0436	0.9218	0.4636	0.9781	0.0045	0.1155	0.1822	-0.0424	-0.046	0.2284	-0.2599	-0.4864	0.0337	0.2285	0.085	-0.01	0.3643	0.0274	0.2601	27.4794	18.151	19.9101
34	6.0204	-2.4595	2.8768	3.9542	-1.2682	4.8731	0.1969	0.759	0.3208	-0.2465	-0.0131	-0.0053	-0.4806	-0.1481	0.0485	0.3304	0.0642	0.0403	0.6692	0.0396	0.2804	25.9272	11.3316	8.1864
35	2.2149	0.1229	0.2447	1.2019	-1.1077	1.0676	0.123	0.5349	-0.2943	-0.186	0.0898	-0.1124	-0.102	-0.5375	-0.1389	0.2467	0.0614	-0.0373	0.575	-0.0253	0.2626	19.1657	6.3655	9.434
36	8.438	-4.3871	2.7854	3.8545	-3.3717	3.2833	0.1645	0.8171	-0.3478	-0.9614	0.0434	0.291	0.7138	-0.633	-0.4441	0.2976	-0.04	-0.0315	0.6715	-0.0626	0.3372	11.4678	-1.3321	10.0816
37	0.9066	0.5033	0.4078	1.3343	0.447	1.6249	0.0538	0.0554	-0.0865	-0.0861	-0.0581	0.1043	0.1041	-0.4566	0.0754	0.1939	-0.0405	0.01	0.4019	0.0053	0.2966	23.2106	-3.5688	28.8914
38	2.7229	0.2578	1.1588	3.1912	-0.1848	2.9467	0.1025	-0.2134	-0.1569	0.4383	-0.125	0.221	0.2492	-0.6231	-0.0941	0.2673	-0.1327	0.0423	0.4045	0.0145	0.3322	22.2434	-10.7639	39.0681
39	3.136	-0.751	-3.0093	5.652	-0.4462	3.1405	-0.1205	-0.1806	-0.8024	0.0383	-0.1622	1.3543	0.7435	-1.4285	-0.0471	0.5914	-0.2535	0.0162	0.7102	0.0013	0.7241	19.8734	-21.4181	46.7461
40	7.0064	0.2173	-2.5445	4.3937	-1.1052	5.9183	-0.0844	-0.6027	-0.6499	0.295	0.1512	0.8939	0.3372	-1.0274	0.0219	0.5564	-0.221	0.0015	0.5785	0.1203	0.522	24.9979	-22.7086	50.5368
41	7.9577	-0.4756	-2.4072	7.277	1.3948	7.4561	-0.3886	-0.5577	-0.706	0.7539	0.0873	0.566	1.1831	-0.157	0.278	0.6913	-0.0296	0.0253	0.291	-0.0085	0.3817	50.2527	-27.5306	53.9501
42	3.9286	0.4747	0.1667	2.5765	0.2179	1.6626	0.1191	-0.0361	-0.2255	-0.0731	-0.0859	-0.1258	0.5216	0.1619	0.0865	0.4133	0.0601	-0.0161	0.1564	0.0442	0.2595	55.4299	-21.0329	50.3343
43	2.0316	-0.8423	1.8714	7.2361	-2.0549	8.9918	0.2617	-0.2591	0.2829	0.2696	-0.2063	-0.4875	0.1055	0.7189	0.09	0.3434	-0.0569	-0.03	0.3026	-0.0183	0.4115	65.2617	-10.5255	51.7825
44	3.366	3.0171	1.139	3.1263	0.2022	2.0767	-0.2636	0.2723	-0.5132	-0.5191	0.0257	-0.0416	0.5355	0.4963	0.0608	0.4172	0.1115	0.0411	0.3113	0.0206	0.3226	61.9276	-15.2365	41.6021
45	8.1394	3.7717	-1.034	2.5744	-1.6193	1.8258	-0.2814	0.5758	-0.6037	-0.1834	0.197	0.0442	0.8139	-0.0551	0.0561	0.476	0.0342	0.0204	0.2231	-0.0133	0.2936	47.8358	-20.0772	41.285
46	2.7445	1.1953	3.8374	2.822	0.9529	6.3857	-0.1575	-0.0124	-0.8711	0.0457	0.2453	-0.3906	0.2506	0.1674	-0.0413	0.3203	0.0357	0.0024	0.2327	0.0368	0.3124	51.086	-17.5081	53.6854
47	4.0812	-2.0431	1.3332	3.9354	-3.9563	7.2782	0.0181	-0.267	0.0813	0.1933	-0.2323	-0.6935	0.2633	0.5008	0.1722	0.3949	0.057	-0.0184	0.3231	0.0111	0.4368	62.743	-9.0143	56.8678
48	8.3514	1.931	-0.593	6.7731	0.4057	8.6198	0.0027	0.7713	0.1329	-1.0874	-0.1783	-0.7727	0.4479	0.4692	-0.0011	0.4174	0.0695	0.0629	0.2879	0.0652	0.3653	54.5681	-8.3088	37.224
49	1.1524	1.0604	-0.2907	1.6483	-0.5786	2.1733	-0.0587	0.0605	0.095	0.0018	-0.0311	0.0441	0.0542	-0.0097	0.0662	0.2721	0.0283	0.0034	0.1832	0.0295	0.2321	49.6371	-8.4362	49.5101
50	2.3249	0.8439	0.3965	2.4068	-0.4704	1.8619	-0.0004	0.0288	-0.1245	0.1376	0.0332	-0.1888	0.1484	-0.0249	0.0302	0.2595	0.0003	-0.004	0.1731	0.0485	0.2478	49.9303	-5.431	55.87
51	7.7637	5.7913	-6.4319	8.0937	-5.5123	5.462	0.0206	0.0136	-0.1311	0.2065	-0.083	-0.3703	0.0981	0.1436	0.1233	0.2378	0.0027	-0.0398	0.1776	0.0093	0.2788	61.2047	4.9411	49.4177
52	0.3045	0.3302	-0.3216	1.0028	-0.4391	0.85	0.0084	0.012	-0.032	0.0892	-0.0012	-0.0756	0.0221	0.0019	-0.0044	0.2418	0.0057	-0.0055	0.1682	0.0316	0.2381	52.1919	6.6401	49.4501
53	3.5221	3.2704	0.9449	3.5342	-0.749	7.6015	0.0143	-0.3867	0.401	0.6857	0.1821	-0.2	-0.2644	0.0471	-0.2333	0.3126	-0.0009	0.0328	0.1992	-0.0077	0.2659	47.2302	3.7616	62.0747
54	3.6109	2.4539	-0.4059	2.3067	-0.202	2.8047	0.1381	-0.1448	-0.1142	0.0978	0.0949	0.1235	0.4537	-0.15	-0.1658	0.3001	-0.0008	0.0104	0.1859	0.0307	0.2142	46.6485	-5.1282	61.8143
55	2.7251	1.122	2.8626	4.6112	-0.4139	4.6568	0.0754	-0.7246	-0.8766	0.9178	0.1279	-0.3227	0.444	0.0553	-0.2126	0.461	0.038	-0.032	0.2284	0.1143	0.3323	47.662	-15.1531	64.9392
56	1.8793	0.2118	1.2075	0.5352	0.022	1.4302	-0.0071	-0.2285	-0.1991	0.1786	0.2119	0.2686	0.4502	-0.5087	-0.0545	0.3335	-0.0552	0.038	0.2357	0.0545	0.2763	35.3728	-13.7279	50.4512
57	0.7621	0.055	0.2066	1.7567	0.3026	1.8375	-0.021	0.0079	-0.0897	0.0349	-0.0439	0.0333	0.1889	-0.1209	0.034	0.2379	-0.0375	0.0102	0.2648	0.0132	0.2796	32.2552	-9.5793	34.6987
58	2.9419	-3.7131	-1.6455	9.122	4.494	2.6527	-0.0086	0.2478	-0.9292	0.2455	0.004	0.7788	1.1094	-0.5643	0.0913	0.484	-0.2104	-0.0702	0.6028	-0.0155	0.621	20.1798	-23.0945	27.8142
59	5.2763	-0.0554	-1.4372	2.62	0.2364	9.2355	-0.2804	0.6316	-1.5304	-0.7394	0.2085	-0.0633	1.2155	0.3778	-0.2174	0.761	-0.234	0.0333	0.7547	-0.1903	0.8368	19.6408	-25.1894	20.2771
60	3.1998	-0.4027	0.9232	3.5261	2.4133	5.2187	0.3617	-0.2039	-0.4643	-0.1242	-0.1518	0.3059	0.5309	-0.9002	-0.1082	0.4358	-0.2741	0.0095	0.644	0.0401	0.4927	12.0451	-12.6702	29.2357
61	2.0114	2.2352	0.7057	6.3208	2.7829	2.5958	0.0513	-1.1066	1.5701	0.5702	0.2496	1.1474	-0.5428	-0.5822	0.3543	0.3656	0.0663	0.1837	1.0024	-0.0525	0.8306	6.3168	18.1329	63.1244
62	2.5845	0.9707	0.526	1.1119	0.8003	0.9021	-0.0328	-0.2541	0.0828	-0.0197	-0.0369	0.6634	0.0243	-0.6899	-0.0004	0.2539	0.0222	0.0567	0.808	0.0269	0.4244	6.1802	8.8338	56.8497
63	2.1453	1.3282	-3.2257	2.0144	-1.8667	7.4811	0.504	-0.7283	-1.1191	0.4449	0.2489	0.7811	1.4119	-0.8582	-0.1379	0.5488	-0.0655	-0.0102	0.7691	0.2469	0.5848	10.5917	-5.7167	62.1268
64	1.7398	0.5872	-0.1151	6.8706	-1.2072	1.9431	0.1391	0.1196	-0.2216	-0.1962	0.006	0.7659	0.1087	-0.9076	-0.1697	0.2303	-0.0754	0.001	0.7209	0.0267	0.3814	8.7316	3.3824	49.1534
65	5.8544	-1.7531	0.0507	2.6207	-1.0276	7.699	0.0423	0.1776	-0.1368	-0.1311	-0.05	1.0807	0.0554	-1.305	0.1776	0.2771	0.0671	-0.036	0.6834	0.0361	0.443	8.9561	19.8731	47.105
66	0.3021	0.7948	-0.0982	3.5284	-2.6862	4.1012	-0.0346	-0.3663	-0.2108	-0.0227	-0.071	0.2379	0.0941	-0.6185	0.0234	0.2835	0.0388	0.0917	0.5616	0.0436	0.3185	14.2024	11.387	57.759
67	6.2168	3.2768	-1.7485	4.9948	-4.2617	1.9975	-0.1402	-0.2505	-0.6773	0.0584	0.0611	-0.0726	1.1483	-0.1248	0.6729	0.5394	-0.0509	0.2619	1.1202	0.3713	0.4071	12.5169	-4.5928	70.8358
68	3.2639	0.858	0.8551	3.9805	1.7945	5.1417	-0.1507	0.1243	-0.6838	0.3277	-0.1964	0.4527	0.3886	-1.1454	0.2411	0.2623	-0.0481	0.0467	0.6739	0.0763	0.4627	15.3263	-2.5247	57.7578
69	5.5036	-0.4553	-2.1356	6.2267	-1.9787	5.5174	-0.1586	0.3119	-0.6271	-0.1653	-0.2769	0.1541	-0.264	-0.9319	0.2539	0.2387	-0.0116	0.0715	0.5477	0.011	0.4049	16.8191	1.1196	44.0949
70	1.4628	-0.2202	-0.0181	2.0671	0.7536	2.088	0.0543	0.0942	-0.0147	0.0201	-0.1338	0.0617	0.0526	-0.245	0.112	0.1871	0.0034	0.0506	0.4781	0.0358	0.2632	20.1522	6.3845	52.1583
71	1.0917	-0.7547	-0.3462	1.6586	0.6665	1.0601	-0.1163	-0.2202	-0.0895	0.1259	0.1885	0.2431	0.1635	-0.394	0.0526	0.2537	-0.0292	0.0313	0.4325	0.0557	0.2614	24.5584	2.4762	58.4155
72	2.2409	0.4049	-1.164	5.5528	-0.975	1.978	-0.1014	-0.1896	-0.3396	0.4625	-0.0551	0.008	0.0958	-0.2851	0.1242	0.2596	-0.0824	0.017	0.4195	0.0369	0.3898	25.3292	-7.7226	47.7938
73	1.4095	-0.1667	-0.3214	1.2981	0.3729	1.4181	-0.0442	-0.108	-0.1474	0.2515	-0.0106	0.0547	0.2524	-0.1936	0.0156	0.2526	-0.0368	0.0121	0.2731	0.044	0.2595	33.7202	-2.4263	53.7514
74	6.8476	1.6945	-3.4334	2.0612	-2.636	6.3623	0.2153	-0.7095	-0.3358	1.0724	-0.0499	-0.4186	0.2696	-0.0945	-0.0153	0.3888	0.0232	-0.0318	0.3728	0.051	0.3069	34.2952	3.8795	63.9648
75	1.9491	-2.3283	0.1271	5.9132	-0.2485	4.5788	-0.0496	-0.3176	-0.1172	0.2963	-0.0456	-0.1282	-0.1566	-0.7635	-0.145	0.3076	0.0151	0.0363	0.4171	0.031	0.2095	27.0743	8.7059	64.6267
76	5.4368	-0.158	-2.1967	6.4679	-3.5213	3.4098	0.1988	-1.4688	0.7123	2.1385	0.2381	0.7315	-0.8501	-0.1439	-0.0091	0.5936	0.1341	0.2018	1.0298	-0.0433	0.4647	18.0097	13.0587	69.4376
77	1.5226	-0.5849	-0.5961	1.2415	-0.1177	1.4229	-0.022	-0.085	0.0854	0.163	0.0113	0.0361	-0.2189	-0.3421	0.0336	0.2193	0.0829	0.0154	0.346	0.0155	0.2439	23.6662	20.1669	45.5128
78	2.4447	-1.4535	1.8398	3.9758	-2.0276	7.9415	0.1101	0.7708	1.0037	-0.8023	0.1476	0.7027	-1.1902	-1.5951	-0.398	0.5448	0.2949	-0.0204	0.7075	0.0843	0.5737	17.5925	35.8184	30.1676
79	6.6431	-1.5353	1.3775	4.2712	-1.5678	4.6497	-0.0318	1.0741	-0.2629	-0.3923	0.2291	1.6486	0.3225	-2.1741	-0.5084	0.9655	0.1826	-0.1811	1.6271	0.2802	1.0385	10.1863	36.8892	21.7132
80	7.5349	-0.3164	0.5071	5.3711	-0.3483	4.0839	-0.0209	0.7191	0.8587	-0.1676	-0.1014	0.5282	-0.8403	-0.7977	-0.0036	0.6218	0.2643	0.0421	0.5046	0.0381	0.414	26.52	38.0817	24.7356
81	3.623	2.7877	-3.3802	2.4211	-2.9104	3.5685	-0.1016	0.8618	0.2296	-1.2785	-0.4486	-1.4694	0.7266	0.9398	0.3477	0.3966	0.0338	0.0448	0.3258	0.0494	0.4933	60.1126	-16.3282	7.7228
82	3.5713	1.6076	-0.9637	3.8802	-0.7453	2.5515	-0.0576	-0.0768	-0.462	-0.0899	-0.009	-0.1627	0.4195	-0.0049	0.036	0.3504	0.0054	-0.0366	0.1477	0.0074	0.2474	52.6487	-20.5019	15.4271
83	5.2455	1.4029	-0.1604	6.2824	2.016	7.5002	0.266	0.3011	-0.4472	-0.36	0.0515	0.5343	1.1471	-0.4929	-0.0898	0.4964	-0.1215	-0.0852	0.3219	0.0091	0.3692	37.7364	-23.7647	13.5417
84	7.1958	3.128	-1.4747	8.5426	0.827	4.8748	-0.0482	-0.6725	-0.7889	0.4801	-0.1686	-0.3654	0.8393	-0.201	-0.2219	0.4603	-0.0783	-0.0539	0.2411	0.0824	0.3685	43.4991	-24.3319	24.0522
85	4.4896	2.1094	0.1201	2.2698	-0.2612	2.1288	0.3752	-0.2436	-0.2671	0.5761	-0.0598	-0.0935	0.3762	0.1456	-0.1333	0.372	0.026	-0.012	0.1469	0.0145	0.2222	52.2035	-16.2745	24.425
86	7.5756	1.2582	5.2754	4.9177	-0.4995	9.5565	0.2251	0.1112	-0.4297	0.2462	-0.0238	-0.5669	0.6117	0.642	-0.1974	0.2833	0.027	-0.029	0.1681	-0.0134	0.2769	59.3235	-10.3721	19.4122
87	4.2979	1.4727	3.3397	3.2202	2.5486	6.5743	0.4839	0.131	-0.3888	0.2055	-0.4762	0.2473	1.3581	-0.8365	-0.1354	0.531	-0.0794	-0.0486	0.3391	-0.0401	0.3491	41.1043	-21.012	6.2158
88	2.5044	-0.3253	-1.6832	2.0318	-0.7105	7.0377	-0.1744	-0.1469	-0.4613	-0.0699	-0.3433	0.2016	0.9884	-0.4275	0.1256	0.4129	-0.0862	-0.0067	0.2567	-0.0078	0.336	37.0175	-18.7683	11.7079
89	3.938	2.6574	-0.2945	7.3314	2.6533	5.4883	-0.2658	-0.1773	-0.9844	0.042	-0.563	0.3388	1.1546	-0.6356	-0.1382	0.4978	-0.0649	0.1313	0.3181	-0.0277	0.5675	38.1479	-18.2362	27.4642
90	2.1108	0.2957	0.0252	1.2144	0.5151	3.0803	-0.029	-0.1613	0.0376	0.1009	-0.021	0.101	0.1581	-0.256	0.0916	0.2495	-0.0184	-0.0103	0.1527	0.0114	0.2237	45.3173	-9.2033	20.833
91	5.2223	2.5332	-2.6564	2.2792	1.2887	7.7101	0.1202	0.0262	-0.3558	0.4802	-0.0272	-0.3293	0.341	-0.0336	0.0353	0.2182	-0.0037	-0.0265	0.2766	0.0246	0.2599	35.7429	-11.6994	17.8891
92	1.7679	-0.3226	-0.5559	1.2804	0.218	2.2614	0.1381	-0.0022	-0.0555	0.0577	-0.1926	0.1631	0.3259	-0.4506	0.0385	0.2234	-0.03	-0.0223	0.2148	-0.014	0.2224	39.8771	-7.131	11.4233
93	6.339	2.5183	-5.6259	2.4197	-3.4552	6.1014	0.0276	0.5344	-0.3262	-0.1195	-0.0131	0.083	0.3289	-0.3365	0.1642	0.292	-0.138	-0.0393	0.4601	-0.0453	0.3753	25.4074	-13.8668	19.4391
94	0.9217	-0.3361	-0.8762	0.3352	-0.1488	1.6109	0.0101	0.0671	-0.1106	0.0615	-0.0476	0.1727	0.1341	-0.3901	0.0148	0.211	-0.0413	-0.0144	0.3438	-0.0112	0.2788	29.2927	-3.7879	19.5514
95	4.4442	2.3326	-1.7228	7.4494	3.584	5.0972	0.147	1.1575	0.3288	-1.1926	0.3772	0.8007	-0.7066	-0.4802	0.3007	0.3353	0.0644	-0.0798	0.5186	0.1313	0.3264	33.5262	0.2427	5.8487
96	2.0146	-0.2046	-0.5341	1.6107	0.9256	2.8973	0.0636	-0.1348	0.0613	0.0868	0.036	0.0001	0.1535	-0.0716	0.0424	0.2623	-0.0149	-0.0355	0.2313	0.0254	0.2111	41.6738	-4.4373	4.9715
97	2.6858	1.6037	1.6723	1.0934	1.0451	2.3643	-0.0471	0.2511	-0.2388	-0.3367	0.2288	-0.4333	-0.1425	0.189	-0.0821	0.2522	0.019	0.0212	0.1791	0.0147	0.2533	54.5263	-3.907	7.9247
98	0.4547	0.0325	-0.4497	0.3807	0.2313	1.1199	-0.0459	-0.0241	-0.0126	0.0286	0.0391	0.0314	0.0562	-0.0055	-0.0614	0.2263	0.0037	-0.0224	0.1709	0.0102	0.2586	53.1793	2.9062	29.9511
99	9.2342	0.8315	5.4553	1.6138	0.8787	3.3728	-0.1292	-0.3488	0.041	0.1881	0.2234	-0.943	0.4455	0.6232	-0.2787	0.299	0.061	-0.0005	0.3247	-0.0209	0.4114	71.3678	6.0133	37.9331
100	2.8433	-3.8056	2.5882	7.7683	-1.585	6.6047	-0.1168	-0.4301	-0.4822	0.5011	0.4586	-0.3799	0.2781	0.3338	-0.0157	0.26	-0.0342	-0.0341	0.4253	0.0183	0.4299	71.8793	10.8076	43.9736
101	9.0987	0.1326	2.0036	6.0997	0.3557	6.2743	-0.4939	0.421	0.9136	-1.0542	0.039	0.314	-0.6386	-0.3715	0.0191	0.5851	0.0494	-0.0142	0.2682	0.0189	0.4029	43.9554	43.0781	13.352
102	4.7553	-1.1693	-1.3677	1.7513	0.4463	1.6278	0.2083	0.0988	0.3734	-0.1448	-0.0854	-0.0852	-0.4544	-0.0002	-0.1258	0.4512	0.0327	0.0176	0.204	0.0256	0.2143	50.0861	36.5904	15.492
103	9.6021	-0.7528	-3.1883	3.8658	-1.7083	8.8206	-0.028	0.136	-0.351	-0.3382	-0.1793	-0.0936	0.1082	0.1905	-0.0382	0.3659	-0.0221	-0.0267	0.1943	-0.0214	0.2204	59.0589	25.8063	11.7138
104	8.8522	-3.4764	-2.5951	2.3885	1.1221	1.8439	-0.2066	-0.3536	0.507	0.4881	0.2744	-0.1309	-0.1939	0.1015	-0.1227	0.4257	-0.0144	-0.0115	0.1892	0.0001	0.2035	52.2128	32.7155	24.1212
105	2.1147	-0.6939	-0.7944	3.7654	3.8504	3.9433	0.1117	-0.0285	1.2264	0.2533	0.124	-0.4406	-0.9642	-0.0325	-0.1701	0.5751	0.0869	0.0388	0.3698	-0.0239	0.4854	38.5232	40.6526	25.2698
106	4.97	-0.4672	-3.863	0.3409	0.9531	5.3885	-0.0412	0.1202	0.0577	-0.3403	-0.078	-0.014	-0.3195	-0.272	0.0115	0.338	0.0723	-0.0075	0.207	0.0475	0.2227	44.2257	31.2663	13.8746
107	2.7259	0.8932	-0.8837	1.559	-1.5855	6.6752	-0.0686	0.1599	-0.1317	-0.0726	-0.0431	-0.2535	0.15	0.4265	0.0688	0.2617	-0.0194	0.0077	0.1537	0.0133	0.237	56.444	25.2703	8.6669
108	7.2671	0.5239	-1.4624	2.2646	0.8673	3.4014	-0.1191	-0.2406	-0.1148	0.52	-0.0093	-0.1616	-0.3988	0.0717	0.0483	0.381	0.0072	-0.0148	0.2289	0.0425	0.2438	47.5219	23.9262	27.2245
109	0.6888	0.2684	0.328	0.7199	-0.5616	1.271	0.1098	0.1927	0.1824	-0.0735	-0.0723	-0.1473	-0.0046	-0.1437	0.0234	0.2874	0.0389	-0.0164	0.1924	0.0312	0.2127	45.7455	23.2909	14.6329
110	1.8429	-0.5894	-1.034	1.6215	-0.0759	2.1784	0.0718	-0.0271	0.0428	-0.0065	0.0507	0.0585	-0.3528	-0.1154	0.0072	0.2487	0.0306	-0.0055	0.1834	0.0212	0.2153	43.7234	20.6803	11.525
111	2.1075	-1.7086	1.953	3.9204	-2.6471	2.2561	0.141	0.3229	-0.0945	-0.3441	-0.1168	-0.0175	-0.2421	-0.0406	0.0823	0.2611	0.0045	0.0289	0.2117	0.0295	0.2865	57.6418	10.4351	14.9997
112	0.9106	-0.1236	0.5757	1.1824	-0.1102	0.7784	-0.0153	0.0083	-0.0352	-0.0264	-0.0091	-0.0566	-0.109	-0.0847	0.0124	0.2413	0.0141	-0.0057	0.1876	0.0178	0.2426	47.1975	8.756	17.0578
113	3.5785	-2.4211	-2.5443	5.9228	-0.7114	3.3152	0.1041	0.7618	-0.4035	-0.6687	-0.0279	-0.1785	0.4956	-0.3008	-0.0931	0.2868	0.0096	-0.0759	0.3135	-0.0433	0.2739	39.439	11.8633	6.3733
114	3.1647	-0.2896	-0.8253	0.6183	0.7389	2.6085	0.0823	0.3175	0.0044	0.2038	0.146	0.3078	-0.6188	-0.3038	-0.205	0.2192	0.0327	-0.044	0.268	0.0294	0.2063	38.7432	20.5515	6.669
115	3.5225	-1.6584	-4.1191	5.6993	0.646	5.6077	0.4357	1.411	0.4068	-0.8978	-0.1083	0.3728	-0.7535	-0.8939	-0.109	0.4695	0.1241	-0.0957	0.4158	0.0633	0.312	37.3291	31.2989	4.6978
116	4.428	-1.6521	-2.9749	1.1394	2.0462	3.8236	-0.1504	0.5192	0.303	0.1094	-0.0343	0.3739	-0.5156	-0.6877	-0.1173	0.3823	0.1431	-0.0128	0.3466	0.0617	0.3222	29.4377	32.1626	16.4804
117	0.5332	0.1754	-0.0427	0.4499	-0.0443	1.3897	-0.014	0.0427	0.0748	0.0875	-0.0085	-0.0171	-0.2081	-0.2488	0.0247	0.2792	0.0726	0.0174	0.2882	0.0259	0.2604	32.627	24.1037	33.4258
118	1.8675	1.8194	0.933	1.7952	0.731	5.8309	-0.2812	-0.3261	0.5486	0.7664	-0.1913	0.9201	-0.618	-0.7225	0.177	0.5756	0.3636	0.0945	0.4733	0.0246	0.4704	21.6519	36.0016	43.6895
119	7.1582	0.1832	-0.9371	8.952	1.5088	4.569	-0.3973	-0.1917	1.1498	-0.0648	0.0518	0.4029	-1.3338	-0.0436	0.26	0.7879	0.1436	0.0052	0.5992	-0.0907	0.6855	25.7378	43.0375	52.2925
120	3.0701	1.3564	1.5054	4.2168	1.3711	1.9871	0.1954	-0.326	0.5262	0.0788	-0.6742	0.6399	-0.6319	-0.7856	0.3801	0.4942	0.186	0.1049	0.6132	-0.0244	0.4933	16.5213	30.176	50.0839

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 1:4)	A	1 - 4
2	X-RAY DIFFRACTION	2	(chain A and resid 5:26)	A	5 - 26
3	X-RAY DIFFRACTION	3	(chain A and resid 27:37)	A	27 - 37
4	X-RAY DIFFRACTION	4	(chain A and resid 38:49)	A	38 - 49
5	X-RAY DIFFRACTION	5	(chain A and resid 50:59)	A	50 - 59
6	X-RAY DIFFRACTION	6	(chain A and resid 60:68)	A	60 - 68
7	X-RAY DIFFRACTION	7	(chain A and resid 69:80)	A	69 - 80
8	X-RAY DIFFRACTION	8	(chain A and resid 95:100)	A	95 - 100
9	X-RAY DIFFRACTION	9	(chain A and resid 101:125)	A	101 - 125
10	X-RAY DIFFRACTION	10	(chain A and resid 126:138)	A	126 - 138
11	X-RAY DIFFRACTION	11	(chain A and resid 139:149)	A	139 - 149
12	X-RAY DIFFRACTION	12	(chain A and resid 150:182)	A	150 - 182
13	X-RAY DIFFRACTION	13	(chain A and resid 183:187)	A	183 - 187
14	X-RAY DIFFRACTION	14	(chain A and resid 188:198)	A	188 - 198
15	X-RAY DIFFRACTION	15	(chain A and resid 199:209)	A	199 - 209
16	X-RAY DIFFRACTION	16	(chain A and resid 210:237)	A	210 - 237
17	X-RAY DIFFRACTION	17	(chain A and resid 238:250)	A	238 - 250
18	X-RAY DIFFRACTION	18	(chain A and resid 251:258)	A	251 - 258
19	X-RAY DIFFRACTION	19	(chain A and resid 259:267)	A	259 - 267
20	X-RAY DIFFRACTION	20	(chain A and resid 268:275)	A	268 - 275
21	X-RAY DIFFRACTION	21	(chain B and resid 1:7)	B	1 - 7
22	X-RAY DIFFRACTION	22	(chain B and resid 8:28)	B	8 - 28
23	X-RAY DIFFRACTION	23	(chain B and resid 29:34)	B	29 - 34
24	X-RAY DIFFRACTION	24	(chain B and resid 35:40)	B	35 - 40
25	X-RAY DIFFRACTION	25	(chain B and resid 41:49)	B	41 - 49
26	X-RAY DIFFRACTION	26	(chain B and resid 50:54)	B	50 - 54
27	X-RAY DIFFRACTION	27	(chain B and resid 55:66)	B	55 - 66
28	X-RAY DIFFRACTION	28	(chain B and resid 67:78)	B	67 - 78
29	X-RAY DIFFRACTION	29	(chain B and resid 95:102)	B	95 - 102
30	X-RAY DIFFRACTION	30	(chain B and resid 103:121)	B	103 - 121
31	X-RAY DIFFRACTION	31	(chain B and resid 122:140)	B	122 - 140
32	X-RAY DIFFRACTION	32	(chain B and resid 141:149)	B	141 - 149
33	X-RAY DIFFRACTION	33	(chain B and resid 150:182)	B	150 - 182
34	X-RAY DIFFRACTION	34	(chain B and resid 183:188)	B	183 - 188
35	X-RAY DIFFRACTION	35	(chain B and resid 189:197)	B	189 - 197
36	X-RAY DIFFRACTION	36	(chain B and resid 198:209)	B	198 - 209
37	X-RAY DIFFRACTION	37	(chain B and resid 210:237)	B	210 - 237
38	X-RAY DIFFRACTION	38	(chain B and resid 238:250)	B	238 - 250
39	X-RAY DIFFRACTION	39	(chain B and resid 251:258)	B	251 - 258
40	X-RAY DIFFRACTION	40	(chain B and resid 259:275)	B	259 - 275
41	X-RAY DIFFRACTION	41	(chain C and resid 1:7)	C	1 - 7
42	X-RAY DIFFRACTION	42	(chain C and resid 8:28)	C	8 - 28
43	X-RAY DIFFRACTION	43	(chain C and resid 29:34)	C	29 - 34
44	X-RAY DIFFRACTION	44	(chain C and resid 35:41)	C	35 - 41
45	X-RAY DIFFRACTION	45	(chain C and resid 42:53)	C	42 - 53
46	X-RAY DIFFRACTION	46	(chain C and resid 54:66)	C	54 - 66
47	X-RAY DIFFRACTION	47	(chain C and resid 67:78)	C	67 - 78
48	X-RAY DIFFRACTION	48	(chain C and resid 95:103)	C	95 - 103
49	X-RAY DIFFRACTION	49	(chain C and resid 104:126)	C	104 - 126
50	X-RAY DIFFRACTION	50	(chain C and resid 127:142)	C	127 - 142
51	X-RAY DIFFRACTION	51	(chain C and resid 143:148)	C	143 - 148
52	X-RAY DIFFRACTION	52	(chain C and resid 149:182)	C	149 - 182
53	X-RAY DIFFRACTION	53	(chain C and resid 183:188)	C	183 - 188
54	X-RAY DIFFRACTION	54	(chain C and resid 189:197)	C	189 - 197
55	X-RAY DIFFRACTION	55	(chain C and resid 198:203)	C	198 - 203
56	X-RAY DIFFRACTION	56	(chain C and resid 204:227)	C	204 - 227
57	X-RAY DIFFRACTION	57	(chain C and resid 228:250)	C	228 - 250
58	X-RAY DIFFRACTION	58	(chain C and resid 251:258)	C	251 - 258
59	X-RAY DIFFRACTION	59	(chain C and resid 259:268)	C	259 - 268
60	X-RAY DIFFRACTION	60	(chain C and resid 269:275)	C	269 - 275
61	X-RAY DIFFRACTION	61	(chain D and resid 1:4)	D	1 - 4
62	X-RAY DIFFRACTION	62	(chain D and resid 5:27)	D	5 - 27
63	X-RAY DIFFRACTION	63	(chain D and resid 28:32)	D	28 - 32
64	X-RAY DIFFRACTION	64	(chain D and resid 33:49)	D	33 - 49
65	X-RAY DIFFRACTION	65	(chain D and resid 50:54)	D	50 - 54
66	X-RAY DIFFRACTION	66	(chain D and resid 55:64)	D	55 - 64
67	X-RAY DIFFRACTION	67	(chain D and resid 65:70)	D	65 - 70
68	X-RAY DIFFRACTION	68	(chain D and resid 71:96)	D	71 - 96
69	X-RAY DIFFRACTION	69	(chain D and resid 97:102)	D	97 - 102
70	X-RAY DIFFRACTION	70	(chain D and resid 103:126)	D	103 - 126
71	X-RAY DIFFRACTION	71	(chain D and resid 127:147)	D	127 - 147
72	X-RAY DIFFRACTION	72	(chain D and resid 148:156)	D	148 - 156
73	X-RAY DIFFRACTION	73	(chain D and resid 157:182)	D	157 - 182
74	X-RAY DIFFRACTION	74	(chain D and resid 183:188)	D	183 - 188
75	X-RAY DIFFRACTION	75	(chain D and resid 189:197)	D	189 - 197
76	X-RAY DIFFRACTION	76	(chain D and resid 198:202)	D	198 - 202
77	X-RAY DIFFRACTION	77	(chain D and resid 203:248)	D	203 - 248
78	X-RAY DIFFRACTION	78	(chain D and resid 249:258)	D	249 - 258
79	X-RAY DIFFRACTION	79	(chain D and resid 259:264)	D	259 - 264
80	X-RAY DIFFRACTION	80	(chain D and resid 265:275)	D	265 - 275
81	X-RAY DIFFRACTION	81	(chain E and resid 1:4)	E	1 - 4
82	X-RAY DIFFRACTION	82	(chain E and resid 5:27)	E	5 - 27
83	X-RAY DIFFRACTION	83	(chain E and resid 28:34)	E	28 - 34
84	X-RAY DIFFRACTION	84	(chain E and resid 35:40)	E	35 - 40
85	X-RAY DIFFRACTION	85	(chain E and resid 41:50)	E	41 - 50
86	X-RAY DIFFRACTION	86	(chain E and resid 51:59)	E	51 - 59
87	X-RAY DIFFRACTION	87	(chain E and resid 60:69)	E	60 - 69
88	X-RAY DIFFRACTION	88	(chain E and resid 70:78)	E	70 - 78
89	X-RAY DIFFRACTION	89	(chain E and resid 79:99)	E	79 - 99
90	X-RAY DIFFRACTION	90	(chain E and resid 100:120)	E	100 - 120
91	X-RAY DIFFRACTION	91	(chain E and resid 121:127)	E	121 - 127
92	X-RAY DIFFRACTION	92	(chain E and resid 128:143)	E	128 - 143
93	X-RAY DIFFRACTION	93	(chain E and resid 144:149)	E	144 - 149
94	X-RAY DIFFRACTION	94	(chain E and resid 150:182)	E	150 - 182
95	X-RAY DIFFRACTION	95	(chain E and resid 183:187)	E	183 - 187
96	X-RAY DIFFRACTION	96	(chain E and resid 188:199)	E	188 - 199
97	X-RAY DIFFRACTION	97	(chain E and resid 200:214)	E	200 - 214
98	X-RAY DIFFRACTION	98	(chain E and resid 215:248)	E	215 - 248
99	X-RAY DIFFRACTION	99	(chain E and resid 249:258)	E	249 - 258
100	X-RAY DIFFRACTION	100	(chain E and resid 259:275)	E	259 - 275
101	X-RAY DIFFRACTION	101	(chain F and resid 1:7)	F	1 - 7
102	X-RAY DIFFRACTION	102	(chain F and resid 8:28)	F	8 - 28
103	X-RAY DIFFRACTION	103	(chain F and resid 29:34)	F	29 - 34
104	X-RAY DIFFRACTION	104	(chain F and resid 35:50)	F	35 - 50
105	X-RAY DIFFRACTION	105	(chain F and resid 51:55)	F	51 - 55
106	X-RAY DIFFRACTION	106	(chain F and resid 56:64)	F	56 - 64
107	X-RAY DIFFRACTION	107	(chain F and resid 65:96)	F	65 - 96
108	X-RAY DIFFRACTION	108	(chain F and resid 97:108)	F	97 - 108
109	X-RAY DIFFRACTION	109	(chain F and resid 109:126)	F	109 - 126
110	X-RAY DIFFRACTION	110	(chain F and resid 127:143)	F	127 - 143
111	X-RAY DIFFRACTION	111	(chain F and resid 144:149)	F	144 - 149
112	X-RAY DIFFRACTION	112	(chain F and resid 150:182)	F	150 - 182
113	X-RAY DIFFRACTION	113	(chain F and resid 183:188)	F	183 - 188
114	X-RAY DIFFRACTION	114	(chain F and resid 189:197)	F	189 - 197
115	X-RAY DIFFRACTION	115	(chain F and resid 198:206)	F	198 - 206
116	X-RAY DIFFRACTION	116	(chain F and resid 207:216)	F	207 - 216
117	X-RAY DIFFRACTION	117	(chain F and resid 217:248)	F	217 - 248
118	X-RAY DIFFRACTION	118	(chain F and resid 249:255)	F	249 - 255
119	X-RAY DIFFRACTION	119	(chain F and resid 256:264)	F	256 - 264
120	X-RAY DIFFRACTION	120	(chain F and resid 265:275)	F	265 - 275

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Yorodumi