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Yorodumi

- PDB-4mzq: beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum in com... -

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Open data

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Basic information

Entry

Database: PDB / ID: 4mzq

Title

beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum in complex with propionyl-CoA

Components

beta-Alanyl-CoA:Ammonia Lyase

Keywords

LYASE / hot dog fold

Function / homology

Hotdog Thioesterase / Thiol Ester Dehydrase; Chain A / HotDog domain superfamily / lyase activity / Roll / metal ion binding / Alpha Beta / propionyl Coenzyme A / Beta-alanyl-CoA:ammonia lyase 2

Function and homology information

Biological species

Clostridium propionicum (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.587 Å

Authors

Heine, A. / Reuter, K.

Citation

Journal: Proteins / Year: 2014
Title: High resolution crystal structure of Clostridium propionicum beta-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamily.
Authors: Heine, A. / Herrmann, G. / Selmer, T. / Terwesten, F. / Buckel, W. / Reuter, K.

History

Deposition	Sep 30, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 26, 2014	Provider: repository / Type: Initial release
Revision 1.1	Jun 11, 2014	Group: Database references
Revision 1.2	Sep 3, 2014	Group: Database references
Revision 1.3	Sep 20, 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 / 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	4mzq.cif.gz	707.7 KB	Display	PDBx/mmCIF format
PDB format	pdb4mzq.ent.gz	594.1 KB	Display	PDB format
PDBx/mmJSON format	4mzq.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	4mzq_validation.pdf.gz	3.6 MB	Display	wwPDB validaton report
Full document	4mzq_full_validation.pdf.gz	3.6 MB	Display
Data in XML	4mzq_validation.xml.gz	80.8 KB	Display
Data in CIF	4mzq_validation.cif.gz	115.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/mz/4mzq ftp://data.pdbj.org/pub/pdb/validation_reports/mz/4mzq	HTTPS FTP

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Related structure data

Related structure data	4mtuSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4mtu-1 1hio-1 2aro-d 3c9k-d 2hio-1 2wr8-1 3dp3-d 2ekn-1 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

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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)

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Assembly

Deposited unit

A: beta-Alanyl-CoA:Ammonia Lyase

B: beta-Alanyl-CoA:Ammonia Lyase

C: beta-Alanyl-CoA:Ammonia Lyase

D: beta-Alanyl-CoA:Ammonia Lyase

E: beta-Alanyl-CoA:Ammonia Lyase

F: beta-Alanyl-CoA:Ammonia Lyase

G: beta-Alanyl-CoA:Ammonia Lyase

H: beta-Alanyl-CoA:Ammonia Lyase

I: beta-Alanyl-CoA:Ammonia Lyase

J: beta-Alanyl-CoA:Ammonia Lyase

K: beta-Alanyl-CoA:Ammonia Lyase

L: beta-Alanyl-CoA:Ammonia Lyase

hetero molecules

202 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: beta-Alanyl-CoA:Ammonia Lyase

B: beta-Alanyl-CoA:Ammonia Lyase

C: beta-Alanyl-CoA:Ammonia Lyase

D: beta-Alanyl-CoA:Ammonia Lyase

E: beta-Alanyl-CoA:Ammonia Lyase

F: beta-Alanyl-CoA:Ammonia Lyase

hetero molecules

defined by author&software
101 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

G: beta-Alanyl-CoA:Ammonia Lyase

H: beta-Alanyl-CoA:Ammonia Lyase

I: beta-Alanyl-CoA:Ammonia Lyase

J: beta-Alanyl-CoA:Ammonia Lyase

K: beta-Alanyl-CoA:Ammonia Lyase

L: beta-Alanyl-CoA:Ammonia Lyase

hetero molecules

defined by author&software
101 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	66.520, 110.965, 115.370
Angle α, β, γ (deg.)	90.00, 89.98, 90.00
Int Tables number	4
Space group name H-M	P12₁1

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Components

#1: Protein	beta-Alanyl-CoA:Ammonia Lyase Mass: 16024.199 Da / Num. of mol.: 12 / Source method: isolated from a natural source / Source: (natural) Clostridium propionicum (bacteria) / References: UniProt: Q6KC22
#2: Chemical	ChemComp-1VU / propionyl Coenzyme A Mass: 823.597 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₂₄H₄₀N₇O₁₇P₃S
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1813 / 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: 2.21 Å³/Da / Density % sol: 44.45 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 9 Details: 23% PEG 4000, 100 mmol L-1 CHES pH 9.0, 100 mmol L-1 (NH4)2SO4 and 2% (w/v) benzamidineHCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.2 / Wavelength: 0.91841 Å
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 20, 2010 / Details: Silicon, active surface 50 nm Rh-coated mirrors
Radiation	Monochromator: Si-111 double crystal monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.91841 Å / Relative weight: 1
Reflection	Resolution: 1.587→50 Å / Num. all: 213356 / Num. obs: 213356 / % possible obs: 94.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 1.8 % / R_sym value: 0.062 / Net I/σ(I): 11.8
Reflection shell	Resolution: 1.59→1.62 Å / Redundancy: 1.7 % / Mean I/σ(I) obs: 2.6 / Num. unique all: 10204 / R_sym value: 0.292 / % possible all: 91.4

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Processing

Software

Name	Version	Classification
MAR345dtb		data collection
PHASER		phasing
PHENIX	(phenix.refine: 1.8.4_1492)	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4MTU

4mtu

Resolution: 1.587→34.277 Å / SU ML: 0.16 / Cross valid method: Free R / σ(F): 1.34 / Phase error: 23.89 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2133	10691	5.01 %	RANDOM
R_work	0.1791	-	-	-
obs	0.1808	213181	94.54 %	-

Solvent computation

Shrinkage radii: 0.7 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 1.587→34.277 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13174	0	576	1813	15563

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	14291
X-RAY DIFFRACTION	f_angle_d	1.17	19550
X-RAY DIFFRACTION	f_dihedral_angle_d	19.083	5095
X-RAY DIFFRACTION	f_chiral_restr	0.052	2101
X-RAY DIFFRACTION	f_plane_restr	0.005	2465

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.587-1.6049	0.2694	312	0.2274	6122	X-RAY DIFFRACTION	87
1.6049-1.6237	0.2595	318	0.2124	6735	X-RAY DIFFRACTION	94
1.6237-1.6435	0.23	370	0.2027	6652	X-RAY DIFFRACTION	95
1.6435-1.6643	0.2278	374	0.2021	6750	X-RAY DIFFRACTION	94
1.6643-1.6862	0.2412	318	0.2016	6737	X-RAY DIFFRACTION	95
1.6862-1.7093	0.23	353	0.2016	6746	X-RAY DIFFRACTION	95
1.7093-1.7338	0.2411	361	0.1905	6810	X-RAY DIFFRACTION	95
1.7338-1.7596	0.2518	353	0.1985	6806	X-RAY DIFFRACTION	96
1.7596-1.7871	0.2341	357	0.1946	6843	X-RAY DIFFRACTION	96
1.7871-1.8164	0.2234	341	0.1862	6895	X-RAY DIFFRACTION	96
1.8164-1.8478	0.2273	391	0.1826	6887	X-RAY DIFFRACTION	96
1.8478-1.8814	0.2222	356	0.1766	6807	X-RAY DIFFRACTION	96
1.8814-1.9175	0.2282	382	0.179	6792	X-RAY DIFFRACTION	96
1.9175-1.9567	0.2423	373	0.1792	6898	X-RAY DIFFRACTION	96
1.9567-1.9992	0.196	388	0.1659	6769	X-RAY DIFFRACTION	96
1.9992-2.0457	0.1884	380	0.1622	6881	X-RAY DIFFRACTION	97
2.0457-2.0969	0.2171	379	0.1809	6833	X-RAY DIFFRACTION	95
2.0969-2.1536	0.1975	378	0.1638	6846	X-RAY DIFFRACTION	96
2.1536-2.2169	0.2037	338	0.1589	6901	X-RAY DIFFRACTION	96
2.2169-2.2885	0.2113	374	0.1717	6820	X-RAY DIFFRACTION	96
2.2885-2.3702	0.221	371	0.1719	6826	X-RAY DIFFRACTION	96
2.3702-2.4651	0.2	345	0.1675	6859	X-RAY DIFFRACTION	96
2.4651-2.5773	0.2079	363	0.177	6797	X-RAY DIFFRACTION	95
2.5773-2.7131	0.2165	340	0.1784	6779	X-RAY DIFFRACTION	95
2.7131-2.883	0.2199	340	0.1774	6808	X-RAY DIFFRACTION	95
2.883-3.1054	0.2236	369	0.1807	6692	X-RAY DIFFRACTION	94
3.1054-3.4177	0.2105	346	0.1784	6694	X-RAY DIFFRACTION	93
3.4177-3.9117	0.18	332	0.1716	6672	X-RAY DIFFRACTION	92
3.9117-4.9259	0.19	366	0.1649	6499	X-RAY DIFFRACTION	91
4.9259-34.2845	0.2215	323	0.2042	6334	X-RAY DIFFRACTION	87

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	8.4261	-6.1772	4.6539	4.8403	-4.3415	5.437	0.2675	0.2509	0.0589	-0.4637	-0.1048	0.1553	0.0843	-0.127	-0.1474	0.173	0.0084	-0.0187	0.1286	0.0153	0.1214	-11.0192	30.5323	-78.3703
2	0.5765	-0.6688	0.3102	3.3258	-1.166	0.938	-0.0476	0.0125	-0.0084	0.0088	0.0128	-0.0115	0.0018	-0.0791	0.0343	0.0757	0.006	0.0024	0.1099	-0.0093	0.0815	-11.2127	27.683	-66.7949
3	1.9187	2.266	-1.4243	4.5486	-1.4773	1.0389	0.0382	-0.0308	0.1689	-0.2696	-0.0972	0.2269	0.0642	0.0044	0.0561	0.0961	0.0176	-0.0287	0.1318	0.0098	0.0868	-19.5711	38.5853	-67.592
4	7.0446	-3.9663	-1.1186	3.609	0.6007	1.6978	0.0014	0.3063	-0.2101	-0.1758	-0.0514	0.2789	0.0665	-0.1027	0.0488	0.0982	-0.0264	-0.0156	0.0806	0.0206	0.0867	-16.3066	18.1662	-67.9989
5	4.9839	-5.6511	2.6381	6.7963	-2.905	1.7934	0.1409	0.2857	-0.1641	-0.3084	-0.1017	0.2323	0.1731	-0.0592	-0.0528	0.1532	0.0241	-0.0059	0.1197	-0.001	0.0883	-12.833	26.603	-76.2184
6	5.3147	0.7321	1.111	5.4543	6.7921	8.7408	0.131	0.3451	0.1998	-0.6079	-0.3831	0.4764	-0.2985	-0.2051	0.2652	0.1542	0.0383	-0.0137	0.1383	0.0114	0.1211	-25.3798	44.2229	-75.5402
7	2.7965	-4.4734	0.0773	7.247	-0.3927	0.0651	0.1162	0.0908	-0.1749	-0.1749	-0.1575	0.2583	-0.0054	-0.0184	0.0492	0.1084	0.0108	-0.0284	0.1065	-0.0049	0.0806	-15.7963	25.5937	-74.7777
8	5.9636	0.8148	-4.5872	5.6873	-2.3418	5.5424	-0.1944	-0.2308	-0.1313	-0.2165	-0.019	-0.0854	0.3028	0.1465	0.1503	0.1371	0.0098	0.008	0.0969	-0.0035	0.0803	-1.1436	5.2511	-66.92
9	2.1156	-1.2296	0.3145	1.4295	-0.0786	0.0986	0.1966	0.1631	-0.2466	-0.2025	-0.2482	0.2311	-0.0242	-0.0876	0.0466	0.1065	0.0175	0.0043	0.099	-0.0007	0.0575	-15.7701	22.3863	-74.8937
10	3.133	-0.4984	-1.0408	2.7451	0.0325	1.5963	-0.0404	0.2212	0.1055	-0.1473	-0.0699	0.2104	0.0412	-0.1152	0.1032	0.1545	0.0156	-0.0305	0.1477	0.04	0.1423	-17.1473	47.9686	-78.4966
11	8.5456	7.4943	-0.9511	9.0248	-2.3989	2.1405	-0.2138	0.0532	-0.3062	-0.1746	0.0825	-0.5806	-0.1087	0.0523	0.148	0.1112	0.0217	0.011	0.0978	-0.0345	0.115	21.9663	29.1394	-53.0896
12	0.891	0.8981	0.001	0.9555	-0.0459	0.4893	0.0176	0.0512	0.0762	0.0738	0.0411	0.0169	0.0234	-0.0327	-0.0615	0.0995	0.0194	0.0038	0.1168	0.0005	0.1082	12.014	26.9069	-59.1856
13	0.3158	0.2264	0.37	1.7034	1.2432	1.1404	0.003	0.0053	-0.0208	-0.0421	-0.0207	-0.1288	-0.0021	0.0607	0.0401	0.0939	0.0052	0.021	0.1054	0.0218	0.15	17.4816	37.7228	-65.7974
14	1.9912	1.9861	-2.764	4.5003	-3.937	4.9248	-0.0565	-0.09	-0.034	-0.041	-0.072	-0.211	0.2103	0.2931	0.1599	0.0673	0.0147	-0.0245	0.1301	-0.0269	0.1095	15.4133	17.5703	-63.4982
15	3.5176	3.7441	-1.6243	5.8326	-2.687	1.2847	-0.136	-0.1455	0.0035	-0.1877	-0.0287	-0.2318	0.1501	0.05	0.1722	0.1023	0.0281	0.0068	0.1276	-0.0193	0.1207	20.8616	25.2615	-55.8592
16	6.8095	-4.8587	3.6482	6.6118	-2.5668	3.6417	0.1315	0.4388	-0.1884	-0.4253	-0.3083	-0.37	0.3498	0.3197	0.1847	0.1971	0.0048	0.0865	0.1238	-0.026	0.177	28.0985	41.5695	-66.6058
17	0.3059	1.3162	-0.7479	5.4089	-2.3626	1.8416	-0.0171	-0.0656	0.0057	-0.1385	-0.1028	-0.3117	0.1091	0.1624	0.1468	0.0642	0.0257	-0.0122	0.1065	-0.0173	0.1242	21.0728	24.3199	-59.1158
18	4.7365	-1.5158	-5.8283	2.2011	2.0208	7.5587	0.0197	1.091	-0.8329	-0.1792	-0.3693	0.7566	0.4297	-1.2784	0.375	0.2647	0.0052	-0.0208	0.3184	-0.0876	0.2544	5.8096	4.7066	-50.6938
19	0.375	0.1041	-0.518	3.5756	-0.825	0.8466	-0.0706	-0.0778	-0.016	0.0414	-0.1003	-0.4573	0.0399	0.1204	0.207	0.0534	-0.0031	-0.0277	0.1105	0.0111	0.1336	21.0849	21.2025	-59.0318
20	0.0457	0.2166	-0.0794	2.5488	-1.6276	4.0409	0.0761	-0.0388	-0.0385	0.0281	-0.0517	-0.284	-0.1047	0.4924	0.0158	0.1022	-0.0078	0.0129	0.1576	-0.0265	0.2054	26.5576	46.0882	-57.5273
21	1.5638	-0.4855	-0.385	7.076	5.8917	4.9192	-0.1529	-0.173	-0.0889	0.1568	-0.2163	0.5756	-0.0808	-0.1412	0.3838	0.1247	0.0104	0.0136	0.1081	-0.0008	0.1071	-16.0547	29.5872	-37.5991
22	6.1665	-1.9813	-1.1742	4.5513	0.2522	1.3276	0.0085	-0.4152	-0.1399	-0.1812	0.0563	-0.0382	0.206	-0.0009	-0.0618	0.1215	0.0075	-0.0062	0.0926	-0.0067	0.0619	-2.3811	17.3835	-49.161
23	2.0264	-3.024	-0.5474	7.3684	0.7689	0.3046	0.0668	0.0648	0.036	-0.0634	-0.0861	0.0447	-0.0736	-0.0012	0.0148	0.0909	-0.001	0.0044	0.0826	-0.0036	0.0546	-8.6372	33.5131	-38.6209
24	3.0356	-2.3032	1.5375	5.0601	-2.0144	1.8402	-0.0152	-0.0611	0.0033	0.3003	-0.0143	0.2733	0.1185	0.0198	0.016	0.128	0.0023	-0.0037	0.0735	-0.0134	0.0728	-2.471	37.5128	-34.8084
25	4.1687	2.5466	4.7724	3.2609	3.1638	6.375	0.0079	-0.0997	-0.129	0.1281	0.0794	-0.0821	0.0066	-0.0084	-0.1042	0.096	0.0178	0.0175	0.0684	0.0048	0.0636	-4.5487	17.4903	-37.8293
26	0.7243	1.2744	0.6014	7.5367	6.387	5.8052	-0.0328	-0.0276	0.0288	0.2333	-0.1581	0.4298	0.0439	-0.2294	0.1743	0.129	0.0064	0.0088	0.0609	0.0001	0.0953	-13.4703	25.7074	-36.815
27	5.1771	5.084	-0.6666	8.3216	-0.741	2.6203	0.0417	-0.3628	0.268	0.5969	-0.0796	-0.218	-0.4182	0.2774	0.0505	0.1757	-0.0119	0.0008	0.1302	-0.1137	0.1602	-6.345	42.4184	-25.2086
28	0.7713	1.9438	1.4433	5.4351	3.5717	2.5429	0.1073	-0.0547	-0.05	0.1989	-0.0192	-0.125	0.0565	-0.0959	-0.0863	0.1183	0.0016	0.0252	0.084	-0.0024	0.0825	-10.7382	24.6773	-35.1599
29	3.5689	-0.2029	-0.3883	2.6018	0.5694	7.1276	0.1014	0.086	0.0522	-0.1324	0.1138	0.116	0.3637	0.1925	-0.2179	0.111	0.0101	0.0061	0.0714	0.0089	0.1111	-11.3957	5.2164	-52.755
30	0.5717	1.056	0.3757	3.2385	0.8176	0.4809	0.0582	0.0158	0.006	0.2757	-0.0239	0.0382	0.079	-0.0231	-0.0201	0.1164	-0.0046	0.0361	0.0811	-0.0102	0.067	-10.9274	21.3475	-35.1561
31	7.3429	-1.7802	0.7031	0.5631	-0.8089	3.3711	-0.0055	-0.1332	0.3001	0.1208	-0.0694	-0.0799	-0.1161	-0.1009	0.0357	0.1709	-0.0045	0.0064	0.0536	-0.0289	0.099	-10.3222	48.7995	-33.8978
32	6.4948	3.1246	2.3018	2.7619	1.3823	2.005	-0.0873	-0.6996	0.8094	0.2969	-0.2695	0.4342	0.3206	-0.2681	0.36	0.1797	0.0254	0.0137	0.226	-0.0746	0.1853	-17.0671	43.9785	-27.4436
33	4.6336	-3.5003	3.1461	9.2545	-6.2637	4.487	0.0058	-0.1035	-0.0551	0.3913	-0.2385	-0.3216	-0.0984	0.2046	0.2467	0.136	0.0086	-0.0062	0.1245	0.0037	0.0971	18.0807	24.559	-42.7683
34	5.4256	-2.5197	-1.5216	3.1998	0.9717	3.3288	-0.0325	-0.0599	0.0208	-0.0825	0.0111	0.0566	0.1016	-0.1755	0.0187	0.1051	-0.0073	0.0079	0.0902	-0.0076	0.0925	1.168	37.2613	-49.2415
35	0.7821	-1.596	-0.41	4.9763	0.5964	0.4539	0.0643	0.0865	0.0223	-0.1127	-0.0144	0.0077	0.08	0.0618	-0.0637	0.0918	0.0104	-0.0188	0.1298	-0.006	0.0827	10.3017	20.7152	-41.9084
36	1.0502	-0.78	-0.9714	2.2194	0.4728	0.9172	0.0203	0.0562	0.0043	0.1189	-0.0112	0.1262	0.0352	0.1653	0.0055	0.1342	0.0315	-0.0432	0.1169	0.003	0.0783	5.7304	16.1205	-36.9128
37	1.1924	-1.0223	0.6054	2.4449	-1.8993	2.4468	0.0239	-0.0544	0.1082	0.0729	-0.0099	-0.218	0.0716	0.0671	-0.0218	0.078	-0.0152	-0.0264	0.0666	-0.0233	0.0847	10.8385	33.3165	-40.5565
38	6.5907	1.6514	2.8575	4.7963	4.3088	4.1976	-0.0563	-0.4327	-0.3203	0.1509	-0.0733	0.1751	0.0945	-0.1343	0.1135	0.2659	0.0541	-0.0446	0.1032	-0.0106	0.0607	12.656	11.2013	-28.6511
39	0.3056	0.1684	-0.1861	4.4989	-2.6316	2.2286	-0.0102	-0.0202	0.0564	0.1358	-0.0427	-0.1881	-0.0133	0.1776	0.057	0.0707	0.0298	-0.0143	0.1191	-0.0241	0.085	13.6143	29.5849	-39.0074
40	7.0484	-1.8135	-2.9381	5.3602	-0.278	3.5069	0.1104	0.1572	0.2881	-0.1455	0.0617	0.0229	-0.0345	-0.5328	-0.1206	0.1181	0.0021	0.0214	0.1296	-0.0171	0.1187	8.8647	49.7761	-54.7928
41	0.0314	0.0763	-0.2931	2.3465	-1.3508	2.5068	0.1601	-0.0628	0.0407	0.2108	-0.2109	-0.0253	-0.0985	0.3343	0.0691	0.0898	0.0312	-0.041	0.0941	-0.0061	0.1173	13.8446	32.6159	-38.7751
42	1.8785	0.0074	-1.4483	1.2637	-0.7077	2.9327	-0.065	-0.3295	-0.1472	0.2451	-0.0235	-0.2654	0.2041	0.3953	0.0933	0.1991	0.0721	-0.0665	0.1554	-0.0155	0.1699	16.984	7.2626	-36.6664
43	5.4388	-5.5238	-4.6214	8.2109	6.3045	6.83	0.3214	0.3951	-0.0912	-0.4893	-0.2493	-0.0689	-0.3033	-0.3003	-0.0634	0.1208	0.0049	-0.0037	0.1051	-0.0038	0.0904	0.0373	25.879	-80.3667
44	4.8158	1.1195	2.7251	2.7722	1.1367	2.3135	0.1466	-0.0594	-0.0612	0.0104	-0.0039	-0.0844	0.0625	0.0981	-0.1249	0.1123	0.0139	0.0282	0.1118	0.0057	0.0786	3.0723	37.5563	-61.8497
45	0.3456	0.4508	0.3852	4.2657	1.7125	0.814	0.0194	-0.0508	0.0382	-0.2091	-0.0345	-0.0626	-0.0568	-0.0419	0.0103	0.0953	0.008	0.015	0.1195	0.0231	0.0837	4.4808	21.6515	-74.2549
46	4.2111	3.2292	2.4473	7.3377	2.5427	1.5555	-0.0265	0.1154	-0.0147	-0.1228	0.0467	-0.0897	-0.0009	0.0328	-0.0103	0.1281	0.0119	0.0294	0.0804	-0.0075	0.0532	10.9775	16.8273	-72.9694
47	2.7655	-2.8508	-1.4171	4.5303	0.3589	2.2006	-0.0599	0.5524	0.1076	-0.1005	0.012	-0.2924	0.0641	-0.1323	0.0383	0.0967	-0.0278	-0.0064	0.1096	-0.014	0.084	8.3701	38.0386	-71.5133
48	4.3815	-5.9382	-4.8836	8.0526	6.6588	5.4841	0.0797	0.2296	0.1185	0.1249	-0.0915	-0.1597	0.0724	-0.1556	-0.0125	0.1232	0.0083	0.011	0.106	0.0119	0.0703	2.4042	29.7041	-78.6249
49	1.9893	1.2008	0.6513	2.061	-2.2695	5.5293	0.1674	0.3632	0.2207	-0.3986	-0.1852	-0.5001	-0.0842	0.4358	0.1446	0.1709	0.0202	0.106	0.0902	0.0606	0.143	14.7828	13.6428	-83.6143
50	0.9966	-0.8878	-0.4577	2.2394	0.3722	0.13	0.2497	0.1245	0.1317	-0.4309	-0.2229	-0.2383	-0.0659	-0.1397	-0.0476	0.1533	0.0244	0.0153	0.107	0.0118	0.0703	5.4672	30.748	-77.9946
51	8.6406	0.1795	1.6263	4.9146	0.5062	6.7075	0.0334	-0.3368	0.4533	-0.087	-0.1379	-0.4472	-0.3076	0.1049	0.131	0.1523	-0.018	-0.0151	0.1219	0.0465	0.1747	-5.5192	50.309	-64.9872
52	7.1647	-6.6872	-4.0688	6.3929	3.8257	2.9336	0.4562	0.8148	-0.1212	-0.4407	-0.5108	0.0814	-0.2924	-0.2314	0.0613	0.157	0.0504	0.0106	0.1828	0.0312	0.109	-3.0033	44.0764	-79.8995
53	0.5729	0.2138	0.0856	3.1041	0.1153	-0.0342	0.0396	0.0242	-0.0531	0.0243	-0.0452	-0.13	0.0026	-0.0468	0.005	0.1181	0.0085	0.0291	0.1145	0.0091	0.0743	8.1878	15.9894	-78.3113
54	3.1238	-4.2885	1.3168	7.9027	0.4388	4.5473	0.2325	0.8796	-0.0381	-0.5851	-0.5345	0.4399	-0.2587	0.0225	0.2225	0.2127	0.02	-0.012	0.1992	0.0167	0.1236	5.7041	11.1787	-88.369
55	4.4296	6.0094	0.9647	8.3694	1.3585	2.0357	0.2263	-0.0531	0.0238	0.2606	-0.2642	0.3319	0.1889	-0.2189	0.06	0.1337	-0.0081	0.026	0.1121	-0.0296	0.1352	-23.4761	25.424	-45.9239
56	1.3944	1.7027	-0.6661	2.9067	-0.6124	0.3799	-0.0297	0.0556	-0.1	0.0355	0.0142	-0.1246	-0.015	-0.0433	0.0107	0.0647	0.0108	-0.0035	0.1031	0.0062	0.0755	-15.763	28.1044	-54.7514
57	0.4233	0.8387	-0.5417	3.8301	-1.618	2.4374	-0.0437	0.0811	-0.0507	-0.2475	-0.1255	0.0627	0.0422	0.1187	0.1966	0.0693	-0.0115	-0.0142	0.1159	-0.0235	0.1136	-22.6754	17.2122	-59.5902
58	2.1577	1.0808	0.2066	1.0588	0.1889	0.5434	0.0244	0.0883	0.0128	-0.0103	-0.0503	0.0995	-0.0106	-0.0585	0.0331	0.0739	0.0121	0.0012	0.0894	-0.0232	0.1051	-21.342	34.28	-53.1838
59	7.6572	-3.8489	-4.5314	7.4919	5.7919	4.911	0.0254	0.291	-0.4723	-0.3676	-0.6866	1.0881	-0.1512	-0.4635	0.6658	0.1172	0.0232	-0.0403	0.1463	-0.0586	0.2035	-33.2144	13.5287	-57.6766
60	2.8133	3.2452	1.5864	5.9508	2.5378	1.3719	-0.0757	-0.0216	0.0017	-0.1368	0.0054	0.1367	-0.1089	-0.0566	0.0932	0.0954	0.007	-0.0012	0.1073	0.0033	0.0787	-24.1969	30.6302	-51.6398
61	3.3318	0.5699	-0.0114	1.6534	-1.8511	5.263	0.0462	0.0611	0.2762	0.0212	-0.112	-0.0625	-0.1799	0.2529	0.0513	0.1309	0.0093	-0.0059	0.0821	-0.0046	0.143	-7.1679	49.8865	-47.6838
62	0.7504	0.4063	0.9731	0.8658	0.5339	1.0218	-0.0048	-0.1377	0.1647	-0.0675	-0.2472	0.2708	-0.0788	-0.2243	0.2748	0.0604	-0.0124	0.0267	0.1527	-0.0502	0.1316	-24.3308	33.7498	-51.4879
63	3.303	-0.4067	0.6003	1.865	-1.3334	8.7771	0.0829	0.0515	-0.1849	-0.0268	-0.0443	0.1219	0.4025	-0.2154	-0.0142	0.1083	-0.0189	0.0137	0.0669	-0.0243	0.1563	-25.5326	6.6618	-52.1265
64	2.9746	2.3842	4.0816	3.3655	2.3795	6.9553	-0.0088	-0.0741	-0.3225	0.3353	-0.253	0.1195	0.1915	-0.8222	0.2341	0.1135	-0.0089	0.0659	0.2246	-0.0511	0.2602	-33.2041	10.7299	-47.3365
65	7.8163	-5.8595	4.4392	4.466	-3.6915	3.4446	0.0546	0.2506	0.1276	-0.1165	-0.077	-0.0206	-0.007	0.0178	0.0261	0.1103	-0.0068	-0.0317	0.1005	0.0046	0.0939	22.615	29.2286	-135.7195
66	1.983	1.8099	-0.9157	4.0448	-1.5634	3.695	0.0364	-0.0471	-0.0144	0.287	0.048	0.0694	-0.0502	-0.044	-0.0669	0.0834	0.0189	0.0085	0.096	-0.0042	0.0858	25.0192	16.468	-118.3952
67	0.4598	0.081	-0.6215	1.8352	-0.3318	0.8154	-0.0317	-0.0472	0.0033	-0.0336	0.0252	0.0363	-0.0093	0.0083	0.0085	0.0866	0.0135	-0.0243	0.0985	-0.0063	0.0792	17.8352	34.5568	-127.5707
68	3.2577	-4.0516	-0.3066	5.1904	0.2406	1.3076	0.0461	0.4138	-0.1992	-0.0367	-0.0929	0.4276	0.0272	-0.1012	0.0223	0.0834	-0.0223	-0.0036	0.1065	0.0104	0.1172	16.4278	17.1529	-125.9633
69	5.7363	-0.9007	2.0805	2.6601	-1.7515	1.6832	0.0021	0.2667	-0.2622	-0.0288	-0.0333	0.2854	-0.1247	0.0464	0.0717	0.1318	0.0143	-0.0076	0.098	-0.0087	0.0429	20.4321	25.3975	-133.9986
70	8.1476	-2.6199	-1.5896	3.9463	2.4947	2.6882	0.0539	0.3924	0.1805	-0.0698	-0.4869	0.6617	0.2375	-0.5983	0.3744	0.1747	0.0107	0.0019	0.1517	-0.0044	0.1393	7.8347	42.1249	-133.559
71	1.6276	-2.2979	-0.1278	4.5672	0.0143	-0.0322	0.1111	0.1657	-0.0417	-0.2911	-0.1636	0.1258	-0.0364	-0.0245	0.0617	0.1198	0.0179	-0.035	0.1251	-0.0089	0.0697	17.4575	24.3512	-132.5864
72	5.8464	0.7611	-3.7643	6.0341	-1.608	4.9575	-0.0664	-0.3777	-0.3168	-0.2458	0.0009	0.021	0.1146	0.2673	0.0785	0.1364	0.0095	0.0113	0.1152	0.0199	0.1224	32.0546	3.9288	-124.8203
73	1.8223	-0.8617	0.2431	1.4095	-0.0122	0.0768	0.1243	0.1967	-0.1552	-0.2177	-0.1162	0.1306	-0.0465	-0.0076	0.0164	0.1081	0.0086	-0.0048	0.0871	0.0002	0.0598	17.4854	21.0977	-132.7346
74	4.9809	-0.698	-1.6083	3.3844	0.2978	4.0939	-0.0097	0.1824	0.1853	-0.0888	0.0241	0.2877	-0.1065	-0.3182	-0.0139	0.1361	0.0142	-0.0306	0.0683	0.0324	0.1299	16.2068	46.7845	-136.1295
75	6.7018	4.8938	-0.9459	4.947	-1.8368	1.6835	-0.215	0.1822	-0.2649	-0.17	0.066	-0.6374	-0.0442	-0.0104	0.198	0.1396	0.017	0.0034	0.1363	-0.0423	0.1689	55.0523	27.6624	-110.637
76	2.8116	1.0402	1.5665	3.5695	1.0705	3.6282	0.0063	0.0429	-0.0726	-0.012	0.1142	0.0036	0.1584	-0.0464	-0.0948	0.1004	0.0034	0.0068	0.1067	-0.0036	0.0672	37.7353	16.0779	-117.6111
77	1.4552	3.1085	1.3284	6.6357	2.5251	1.4778	-0.0002	-0.0708	0.0997	0.1139	0.0198	0.0301	-0.0243	-0.0381	-0.0285	0.0741	0.0196	0.0117	0.0933	-0.0178	0.0838	50.2772	31.9203	-116.2909
78	0.0529	0.2378	0.1886	2.015	1.0718	1.2399	0.0303	0.0772	-0.0281	-0.0766	-0.0158	-0.1623	0.0309	-0.0024	-0.0016	0.0873	0.0079	0.0174	0.1312	-0.0468	0.1553	50.679	36.3805	-123.3088
79	1.5219	1.9529	-2.2405	4.7769	-3.8338	4.949	-0.0719	-0.0764	-0.0894	-0.1384	0.018	-0.1751	0.2424	0.1939	0.0666	0.0884	0.0154	-0.0132	0.1175	-0.0435	0.1165	48.2801	15.9223	-120.864
80	2.9176	4.5157	-1.8142	7.2464	-3.2884	1.9599	-0.1412	-0.3297	-0.0744	-0.0922	-0.1308	-0.3331	0.1038	0.1473	0.2469	0.0885	0.0289	-0.019	0.1062	-0.0226	0.1285	53.9806	23.8117	-113.49
81	5.843	-2.2823	2.0526	3.5328	-4.1431	6.5959	0.1192	0.2042	-0.0057	-0.3448	-0.165	-0.5351	0.044	0.2888	0.0803	0.1765	-0.0093	0.0437	0.1134	-0.0633	0.1876	61.4379	40.0029	-124.1745
82	0.7175	1.863	-1.0502	6.467	-2.6201	1.4547	-0.0494	-0.0803	-0.0754	-0.2248	-0.0611	-0.3766	0.1115	0.1156	0.1258	0.08	0.013	-0.0173	0.1046	-0.0212	0.1295	54.2249	22.9086	-116.7622
83	8.3839	-1.6522	-3.4773	3.4208	0.6056	9.1287	-0.0537	0.571	-0.5273	0.0464	-0.152	0.241	0.366	-0.6357	0.1622	0.1757	0.0163	-0.0025	0.1119	-0.0229	0.15	38.8677	3.2578	-108.6067
84	6.6371	5.4163	-6.3244	4.7137	-5.4193	6.2488	-0.1272	-0.4295	-0.2297	-0.1251	-0.2569	-0.2543	0.2101	0.6077	0.3611	0.1584	0.0545	-0.0518	0.1523	-0.0243	0.1693	54.0428	9.4451	-107.9559
85	0.0927	0.6738	0.0937	3.2701	0.142	0.7973	-0.0276	-0.0257	-0.0013	-0.2133	0.0301	-0.0406	-0.1158	0.0016	-0.0048	0.0682	0.0077	0.0175	0.1025	-0.0146	0.1368	55.1514	37.5896	-118.9587
86	0.1628	-0.292	0.9463	0.7063	-2.4645	8.5221	0.0927	-0.0628	0.0431	-0.0226	-0.2362	-0.1156	-0.1012	1.0583	0.1428	0.1058	0.0096	-0.0377	0.2205	-0.0533	0.3016	64.6471	41.6603	-113.4777
87	2.8216	-0.8448	-2.0608	6.345	5.5502	7.1806	-0.0781	-0.1783	0.0132	0.4145	0.0741	0.2347	0.1258	0.0772	0.0585	0.1521	0.0227	0.0511	0.0844	0.0314	0.1319	17.0301	28.1184	-95.5266
88	7.4357	-1.0863	-0.0858	2.2867	0.6248	1.4423	-0.0601	-0.2051	-0.3348	0.0375	0.0596	-0.0177	0.1068	0.0701	0.0152	0.1401	0.011	0.009	0.0944	0.0178	0.079	30.7032	15.9666	-106.9628
89	0.6397	-0.5452	0.1438	2.7446	-0.0461	0.4472	0.0021	0.0434	0.0377	0.1697	-0.0424	0.0811	0.0418	-0.0097	0.0257	0.1293	0.0131	0.026	0.1044	-0.0092	0.0844	26.4941	33.3515	-95.0058
90	3.1821	1.7383	3.4487	2.0352	1.4442	4.2486	0.0691	-0.1762	-0.1105	0.2589	-0.0158	-0.0331	0.1881	-0.1248	-0.0656	0.1593	0.042	0.0343	0.113	0.0256	0.1009	28.2671	15.6851	-96.1345
91	0.8139	0.2934	0.0087	4.9304	3.2938	2.751	0.0931	-0.0669	0.0782	0.2685	-0.0825	0.204	-0.08	-0.1583	0.0161	0.1396	0.0019	0.0383	0.0899	0.0097	0.1067	19.603	24.2372	-94.6637
92	7.2065	5.1003	-4.5612	6.7664	-3.4564	4.6329	0.4525	-0.5922	0.2699	1.3195	-0.4964	-0.0584	-0.3957	0.3124	-0.0041	0.4049	0.0066	0.0379	0.1556	-0.0163	0.0996	26.6546	40.8966	-82.7609
93	0.5184	1.3236	0.886	4.3777	2.6376	1.713	0.0824	-0.0469	-0.0688	0.2272	-0.025	-0.096	0.0396	-0.1179	-0.0473	0.1676	0.0334	0.0409	0.0967	0.0016	0.0996	22.305	23.2416	-92.796
94	0.5509	0.4379	0.3132	1.7149	0.8827	0.4838	0.0446	-0.027	-0.0137	0.186	0.0076	0.0414	0.0491	-0.0022	-0.0339	0.1271	0.0243	0.0321	0.1035	0.0285	0.0913	21.9379	13.5915	-99.9043
95	7.1507	-1.5384	1.0815	0.8071	-0.5668	3.3637	-0.1655	-0.0798	0.347	0.1627	0.063	-0.0334	-0.2134	-0.005	0.0757	0.2093	0.0063	0.0131	0.0898	-0.0395	0.1297	22.7587	47.2583	-91.3928
96	6.5659	2.7742	3.0053	2.089	0.7117	1.7131	0.0607	-0.7335	0.8228	0.3873	-0.2607	0.5275	-0.2219	-0.4786	0.1687	0.2692	0.0539	0.0751	0.2335	-0.0436	0.2405	15.7962	42.5772	-84.9364
97	3.7076	-1.5588	1.9066	5.1553	-3.9986	6.715	0.0499	-0.1621	-0.1125	0.2183	-0.2003	-0.3101	0.289	0.4758	0.1548	0.1256	0.0335	-0.019	0.1528	-0.0154	0.099	51.2214	22.8842	-100.0443
98	0.4832	-0.768	0.3431	1.6368	-0.5537	0.3628	-0.0056	-0.0458	-0.0231	0.1047	0.0382	0.063	0.0203	-0.0155	-0.0251	0.1417	0.0087	0.0008	0.1201	-0.0161	0.0841	39.7043	25.9117	-102.5268
99	3.6685	-2.5654	-3.2241	2.6193	2.4744	2.9596	-0.1766	-0.2292	-0.077	0.2525	0.0936	0.0687	-0.0508	0.2142	0.1179	0.1775	0.0271	-0.0272	0.0996	0.0088	0.0797	38.6909	14.531	-94.7177
100	2.2705	1.4989	-1.6214	2.6371	-1.749	3.9891	0.0943	-0.2256	0.0884	0.1585	-0.0546	0.0078	0.1308	0.2844	-0.0205	0.1183	0.0268	-0.0107	0.0984	-0.033	0.0789	40.0693	35.6769	-97.3242
101	0.8191	-1.3556	1.2888	6.4911	-5.3507	4.5147	0.0929	-0.0037	0.0239	0.1427	-0.0988	-0.1381	0.1401	0.2689	0.0186	0.1707	0.0199	-0.0111	0.1069	-0.0279	0.1129	48.6634	26.8652	-99.025
102	7.5504	4.0905	4.1295	7.0531	5.3769	4.4633	0.3188	-0.3274	-0.371	1.0635	-0.1959	0.2723	0.2093	-0.3029	-0.1365	0.2684	0.0354	-0.0236	0.0925	0.0258	0.1325	45.3658	9.5571	-86.6025
103	0.1891	0.5283	-0.6946	5.7792	-3.5469	2.8499	0.0519	-0.0212	0.0073	0.1614	-0.063	0.0381	-0.0322	0.1445	0.0383	0.1016	0.0168	-0.031	0.1039	-0.0173	0.0791	46.6438	27.9207	-96.5711
104	9.3486	-2.0453	-2.9828	3.9328	-0.1306	7.1457	0.2827	-0.0075	0.1055	-0.2855	-0.0542	0.0253	-0.1658	-0.1855	-0.2091	0.1211	0.0018	0.0079	0.086	-0.0335	0.1021	42.1166	48.3651	-112.1932
105	0.2589	0.1893	-0.2659	2.2444	-1.1926	1.8817	0.1309	-0.0434	0.0097	0.3959	-0.0998	-0.0315	-0.1424	0.2159	0.0063	0.0946	0.0246	-0.0346	0.0958	-0.0174	0.0835	46.8794	30.9857	-96.3364
106	4.4257	0.6154	-2.0147	1.2598	0.5487	2.0672	-0.011	-0.01	-0.242	0.3122	-0.1194	-0.175	-0.0602	-0.0314	0.0959	0.2561	0.0411	-0.0325	0.1021	0.0256	0.1566	46.4434	3.9375	-96.4842
107	6.3299	2.9044	-1.4011	5.6056	-0.3074	0.338	0.148	-0.9288	-0.0708	0.9428	-0.14	-0.3381	-0.0187	0.6575	0.0006	0.2214	0.0398	-0.0822	0.2456	0.0125	0.2252	54.7649	8.1197	-92.1534
108	2.9512	-3.2001	-2.6189	6.5635	4.4256	3.3128	0.1947	0.238	-0.0946	-0.4659	-0.3708	0.1189	-0.3249	-0.2202	0.1294	0.121	0.0386	-0.0177	0.113	-0.0098	0.0794	33.1156	24.8997	-137.6611
109	4.723	1.356	1.4852	2.7489	0.0547	2.4891	0.0992	-0.2361	0.2195	0.0913	-0.0524	0.0221	-0.0248	0.0472	-0.0584	0.0992	0.0043	0.005	0.1192	-0.0319	0.0811	36.2977	36.2237	-119.3876
110	0.7704	0.2897	0.5639	5.092	1.8462	0.885	-0.0782	-0.0965	-0.0119	-0.1732	0.0306	-0.0065	-0.0273	-0.0226	0.0307	0.0743	0.0006	0.0141	0.0977	0.0076	0.0499	37.739	20.4105	-131.9496
111	2.7788	3.5025	1.8543	8.2417	2.2547	1.1959	0.064	0.0259	-0.0406	0.0145	-0.0194	-0.0375	-0.0756	0.0078	-0.0734	0.1158	0.008	0.0278	0.12	-0.026	0.0912	43.8739	15.1596	-130.6503
112	1.3175	-1.5359	-1.1753	2.0395	1.8938	1.8731	-0.0263	-0.0375	0.0846	0.0289	0.011	-0.103	0.1257	0.0143	0.0178	0.1081	-0.0018	0.0091	0.0625	0.0144	0.0738	39.4396	33.0806	-132.3711
113	3.2181	-3.2865	2.9712	6.9396	-4.9279	3.8124	0.2697	0.3357	0.2999	-0.1994	-0.4525	-0.5117	0.0199	0.4589	0.2319	0.142	0.0147	0.0428	0.0922	0.0375	0.1821	47.789	12.3818	-141.2809
114	2.0756	-2.5811	-0.7326	5.0726	0.7724	0.1562	0.161	0.0753	0.2026	-0.2526	-0.0981	-0.2881	-0.0509	-0.0029	-0.0623	0.1146	-0.012	0.011	0.0755	0.0044	0.054	38.8344	29.4939	-135.6978
115	7.5341	-0.8801	-3.0936	3.4164	0.1692	4.4244	0.205	-0.9938	0.8718	0.2365	0.1158	-0.5843	-0.383	0.6053	-0.3227	0.1927	-0.0312	-0.0196	0.2047	-0.0395	0.2557	27.7535	49.0901	-122.4221
116	5.9094	-6.4319	-4.3346	7.2264	5.0541	3.7412	0.2842	0.7519	-0.1227	-0.5009	-0.4104	-0.0667	-0.079	-0.2203	0.0699	0.1797	0.0282	-0.0022	0.1654	-0.0012	0.1096	30.8098	42.4447	-137.6922
117	0.3873	0.5998	-0.1253	3.2292	0.0489	-0.0001	-0.0205	-0.0072	-0.0335	0.0056	0.0168	-0.0808	0.009	-0.0298	0.0191	0.1413	0.0061	0.007	0.1165	-0.0029	0.0753	41.4542	14.7555	-136.1134
118	5.875	-6.6897	-0.6209	7.7248	0.3336	1.4995	0.4427	1.0095	-0.4712	-0.5853	-0.7017	0.4689	-0.1428	-0.189	0.1445	0.1968	0.0318	-0.0336	0.1723	-0.0239	0.1262	39.2277	10.6762	-146.1792
119	2.0297	1.9107	1.6507	2.0796	1.5486	1.9897	-0.0152	-0.0031	-0.1042	0.0315	-0.0373	0.1968	0.1502	-0.151	0.0366	0.134	0.0054	0.0226	0.1119	0.0094	0.1957	10.0114	24.2853	-103.8603
120	2.6218	-0.2531	-0.563	3.8389	-0.4107	3.8792	0.019	0.1851	0.0878	-0.1155	-0.0053	-0.1559	-0.0182	-0.0719	-0.0242	0.0782	0.0012	0.0065	0.095	-0.004	0.0942	24.385	36.3341	-114.7909
121	0.2362	0.4182	0.0183	5.14	-1.8594	0.7107	-0.0597	-0.0344	-0.1571	0.043	-0.0604	-0.1338	0.0046	0.0358	0.098	0.0706	0.0128	0.0197	0.094	-0.0036	0.0936	12.6454	20.3033	-110.9653
122	0.4073	1.4168	-1.0096	5.3592	-3.3101	4.6393	-0.0696	-0.1078	0.0533	-0.0722	-0.0138	0.04	-0.0536	-0.1333	0.0835	0.0667	0.0018	0.0021	0.0866	-0.0098	0.1508	10.3742	16.0186	-117.5824
123	4.152	0.5366	3.3268	4.5124	1.7927	6.0069	-0.0256	-0.2261	0.0932	-0.1529	-0.1247	0.2429	-0.1129	-0.3594	0.1888	0.0756	0.002	0.0287	0.078	0.0145	0.0708	13.3517	36.9632	-114.6488
124	5.7338	4.2659	1.3069	4.0025	1.5686	0.7351	0.0759	-0.2393	-0.0151	0.0683	-0.1404	0.1332	0.0895	-0.0237	0.0663	0.0923	0.0182	0.0134	0.0979	0.0113	0.1171	9.9901	28.1102	-106.4562
125	3.679	0.1179	-1.4342	5.487	6.7309	8.9208	0.1664	0.1054	-0.0368	-0.2512	-0.3112	0.205	-0.3142	-0.3533	0.1426	0.0802	0.0194	-0.0358	0.0951	-0.0243	0.2421	-0.3421	11.8911	-116.0501
126	1.6574	1.9293	1.0152	5.0859	2.1126	1.1039	0.0007	-0.0503	-0.137	0.0068	-0.0579	0.1723	-0.0014	-0.0869	0.0724	0.075	0.0034	0.0121	0.0721	0.0071	0.0985	8.9135	29.1754	-109.4786
127	2.3964	0.7013	-1.5094	1.0858	-0.5558	4.3252	0.0521	0.0525	-0.0961	-0.0779	-0.037	-0.0103	-0.1719	-0.0001	0.0177	0.1399	0.0027	-0.0066	0.0806	-0.0051	0.1363	26.0723	48.5048	-105.1519
128	1.1937	0.8492	0.9055	1.02	0.5166	0.7047	-0.0005	-0.1784	0.1168	0.0121	-0.1852	0.2266	-0.0069	-0.1379	0.2328	0.0624	-0.0052	0.0248	0.1111	-0.0195	0.1153	8.8539	32.4471	-109.2827
129	3.1726	0.275	1.0278	1.4549	-1.1189	7.6566	0.0357	-0.0097	-0.1927	-0.1543	-0.1428	0.1238	0.599	0.1578	0.085	0.1356	-0.0051	0.0157	0.0857	0.0124	0.1695	7.7147	5.1348	-110.2555
130	3.9425	3.9144	4.5553	4.786	5.0026	5.5476	0.1228	-0.5076	-0.0738	0.3996	-0.4419	0.1766	0.3817	-0.734	0.2775	0.1507	-0.0104	0.0339	0.2221	-0.011	0.2833	-0.294	9.57	-105.6325

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resseq 1:11)
2	X-RAY DIFFRACTION	2	chain 'A' and (resseq 12:45)
3	X-RAY DIFFRACTION	3	chain 'A' and (resseq 46:55)
4	X-RAY DIFFRACTION	4	chain 'A' and (resseq 56:67)
5	X-RAY DIFFRACTION	5	chain 'A' and (resseq 68:75)
6	X-RAY DIFFRACTION	6	chain 'A' and (resseq 76:81)
7	X-RAY DIFFRACTION	7	chain 'A' and (resseq 82:95)
8	X-RAY DIFFRACTION	8	chain 'A' and (resseq 96:105)
9	X-RAY DIFFRACTION	9	chain 'A' and (resseq 106:123)
10	X-RAY DIFFRACTION	10	chain 'A' and (resseq 124:143)
11	X-RAY DIFFRACTION	11	chain 'B' and (resseq 1:11)
12	X-RAY DIFFRACTION	12	chain 'B' and (resseq 12:45)
13	X-RAY DIFFRACTION	13	chain 'B' and (resseq 46:55)
14	X-RAY DIFFRACTION	14	chain 'B' and (resseq 56:67)
15	X-RAY DIFFRACTION	15	chain 'B' and (resseq 68:75)
16	X-RAY DIFFRACTION	16	chain 'B' and (resseq 76:81)
17	X-RAY DIFFRACTION	17	chain 'B' and (resseq 82:95)
18	X-RAY DIFFRACTION	18	chain 'B' and (resseq 96:105)
19	X-RAY DIFFRACTION	19	chain 'B' and (resseq 106:123)
20	X-RAY DIFFRACTION	20	chain 'B' and (resseq 124:143)
21	X-RAY DIFFRACTION	21	chain 'C' and (resseq 1:11)
22	X-RAY DIFFRACTION	22	chain 'C' and (resseq 12:25)
23	X-RAY DIFFRACTION	23	chain 'C' and (resseq 26:45)
24	X-RAY DIFFRACTION	24	chain 'C' and (resseq 46:55)
25	X-RAY DIFFRACTION	25	chain 'C' and (resseq 56:67)
26	X-RAY DIFFRACTION	26	chain 'C' and (resseq 68:75)
27	X-RAY DIFFRACTION	27	chain 'C' and (resseq 76:81)
28	X-RAY DIFFRACTION	28	chain 'C' and (resseq 82:95)
29	X-RAY DIFFRACTION	29	chain 'C' and (resseq 96:105)
30	X-RAY DIFFRACTION	30	chain 'C' and (resseq 106:123)
31	X-RAY DIFFRACTION	31	chain 'C' and (resseq 124:134)
32	X-RAY DIFFRACTION	32	chain 'C' and (resseq 135:143)
33	X-RAY DIFFRACTION	33	chain 'D' and (resseq 1:11)
34	X-RAY DIFFRACTION	34	chain 'D' and (resseq 12:25)
35	X-RAY DIFFRACTION	35	chain 'D' and (resseq 26:45)
36	X-RAY DIFFRACTION	36	chain 'D' and (resseq 46:55)
37	X-RAY DIFFRACTION	37	chain 'D' and (resseq 56:75)
38	X-RAY DIFFRACTION	38	chain 'D' and (resseq 76:81)
39	X-RAY DIFFRACTION	39	chain 'D' and (resseq 82:95)
40	X-RAY DIFFRACTION	40	chain 'D' and (resseq 96:105)
41	X-RAY DIFFRACTION	41	chain 'D' and (resseq 106:123)
42	X-RAY DIFFRACTION	42	chain 'D' and (resseq 124:143)
43	X-RAY DIFFRACTION	43	chain 'E' and (resseq 1:11)
44	X-RAY DIFFRACTION	44	chain 'E' and (resseq 12:25)
45	X-RAY DIFFRACTION	45	chain 'E' and (resseq 26:45)
46	X-RAY DIFFRACTION	46	chain 'E' and (resseq 46:55)
47	X-RAY DIFFRACTION	47	chain 'E' and (resseq 56:67)
48	X-RAY DIFFRACTION	48	chain 'E' and (resseq 68:75)
49	X-RAY DIFFRACTION	49	chain 'E' and (resseq 76:81)
50	X-RAY DIFFRACTION	50	chain 'E' and (resseq 82:95)
51	X-RAY DIFFRACTION	51	chain 'E' and (resseq 96:105)
52	X-RAY DIFFRACTION	52	chain 'E' and (resseq 106:112)
53	X-RAY DIFFRACTION	53	chain 'E' and (resseq 113:134)
54	X-RAY DIFFRACTION	54	chain 'E' and (resseq 135:143)
55	X-RAY DIFFRACTION	55	chain 'F' and (resseq 1:11)
56	X-RAY DIFFRACTION	56	chain 'F' and (resseq 12:45)
57	X-RAY DIFFRACTION	57	chain 'F' and (resseq 46:55)
58	X-RAY DIFFRACTION	58	chain 'F' and (resseq 56:75)
59	X-RAY DIFFRACTION	59	chain 'F' and (resseq 76:81)
60	X-RAY DIFFRACTION	60	chain 'F' and (resseq 82:95)
61	X-RAY DIFFRACTION	61	chain 'F' and (resseq 96:105)
62	X-RAY DIFFRACTION	62	chain 'F' and (resseq 106:123)
63	X-RAY DIFFRACTION	63	chain 'F' and (resseq 124:134)
64	X-RAY DIFFRACTION	64	chain 'F' and (resseq 135:143)
65	X-RAY DIFFRACTION	65	chain 'G' and (resseq 1:11)
66	X-RAY DIFFRACTION	66	chain 'G' and (resseq 12:25)
67	X-RAY DIFFRACTION	67	chain 'G' and (resseq 26:55)
68	X-RAY DIFFRACTION	68	chain 'G' and (resseq 56:67)
69	X-RAY DIFFRACTION	69	chain 'G' and (resseq 68:75)
70	X-RAY DIFFRACTION	70	chain 'G' and (resseq 76:81)
71	X-RAY DIFFRACTION	71	chain 'G' and (resseq 82:95)
72	X-RAY DIFFRACTION	72	chain 'G' and (resseq 96:105)
73	X-RAY DIFFRACTION	73	chain 'G' and (resseq 106:123)
74	X-RAY DIFFRACTION	74	chain 'G' and (resseq 124:143)
75	X-RAY DIFFRACTION	75	chain 'H' and (resseq 1:11)
76	X-RAY DIFFRACTION	76	chain 'H' and (resseq 12:25)
77	X-RAY DIFFRACTION	77	chain 'H' and (resseq 26:45)
78	X-RAY DIFFRACTION	78	chain 'H' and (resseq 46:55)
79	X-RAY DIFFRACTION	79	chain 'H' and (resseq 56:67)
80	X-RAY DIFFRACTION	80	chain 'H' and (resseq 68:75)
81	X-RAY DIFFRACTION	81	chain 'H' and (resseq 76:81)
82	X-RAY DIFFRACTION	82	chain 'H' and (resseq 82:95)
83	X-RAY DIFFRACTION	83	chain 'H' and (resseq 96:105)
84	X-RAY DIFFRACTION	84	chain 'H' and (resseq 106:112)
85	X-RAY DIFFRACTION	85	chain 'H' and (resseq 113:134)
86	X-RAY DIFFRACTION	86	chain 'H' and (resseq 135:143)
87	X-RAY DIFFRACTION	87	chain 'I' and (resseq 1:11)
88	X-RAY DIFFRACTION	88	chain 'I' and (resseq 12:25)
89	X-RAY DIFFRACTION	89	chain 'I' and (resseq 26:55)
90	X-RAY DIFFRACTION	90	chain 'I' and (resseq 56:67)
91	X-RAY DIFFRACTION	91	chain 'I' and (resseq 68:75)
92	X-RAY DIFFRACTION	92	chain 'I' and (resseq 76:81)
93	X-RAY DIFFRACTION	93	chain 'I' and (resseq 82:95)
94	X-RAY DIFFRACTION	94	chain 'I' and (resseq 96:123)
95	X-RAY DIFFRACTION	95	chain 'I' and (resseq 124:134)
96	X-RAY DIFFRACTION	96	chain 'I' and (resseq 135:143)
97	X-RAY DIFFRACTION	97	chain 'J' and (resseq 1:11)
98	X-RAY DIFFRACTION	98	chain 'J' and (resseq 12:45)
99	X-RAY DIFFRACTION	99	chain 'J' and (resseq 46:55)
100	X-RAY DIFFRACTION	100	chain 'J' and (resseq 56:67)
101	X-RAY DIFFRACTION	101	chain 'J' and (resseq 68:75)
102	X-RAY DIFFRACTION	102	chain 'J' and (resseq 76:81)
103	X-RAY DIFFRACTION	103	chain 'J' and (resseq 82:95)
104	X-RAY DIFFRACTION	104	chain 'J' and (resseq 96:105)
105	X-RAY DIFFRACTION	105	chain 'J' and (resseq 106:123)
106	X-RAY DIFFRACTION	106	chain 'J' and (resseq 124:134)
107	X-RAY DIFFRACTION	107	chain 'J' and (resseq 135:143)
108	X-RAY DIFFRACTION	108	chain 'K' and (resseq 1:11)
109	X-RAY DIFFRACTION	109	chain 'K' and (resseq 12:25)
110	X-RAY DIFFRACTION	110	chain 'K' and (resseq 26:45)
111	X-RAY DIFFRACTION	111	chain 'K' and (resseq 46:55)
112	X-RAY DIFFRACTION	112	chain 'K' and (resseq 56:75)
113	X-RAY DIFFRACTION	113	chain 'K' and (resseq 76:81)
114	X-RAY DIFFRACTION	114	chain 'K' and (resseq 82:95)
115	X-RAY DIFFRACTION	115	chain 'K' and (resseq 96:105)
116	X-RAY DIFFRACTION	116	chain 'K' and (resseq 106:112)
117	X-RAY DIFFRACTION	117	chain 'K' and (resseq 113:134)
118	X-RAY DIFFRACTION	118	chain 'K' and (resseq 135:143)
119	X-RAY DIFFRACTION	119	chain 'L' and (resseq 1:11)
120	X-RAY DIFFRACTION	120	chain 'L' and (resseq 12:25)
121	X-RAY DIFFRACTION	121	chain 'L' and (resseq 26:45)
122	X-RAY DIFFRACTION	122	chain 'L' and (resseq 46:55)
123	X-RAY DIFFRACTION	123	chain 'L' and (resseq 56:67)
124	X-RAY DIFFRACTION	124	chain 'L' and (resseq 68:75)
125	X-RAY DIFFRACTION	125	chain 'L' and (resseq 76:81)
126	X-RAY DIFFRACTION	126	chain 'L' and (resseq 82:95)
127	X-RAY DIFFRACTION	127	chain 'L' and (resseq 96:105)
128	X-RAY DIFFRACTION	128	chain 'L' and (resseq 106:123)
129	X-RAY DIFFRACTION	129	chain 'L' and (resseq 124:134)
130	X-RAY DIFFRACTION	130	chain 'L' and (resseq 135:143)

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