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- PDB-6u49: Structure-based discovery of a novel small-molecule inhibitor of ... -

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Open data

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Basic information

Entry

Database: PDB / ID: 6u49

Title

Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus

Components

Alpha-hemolysin

Keywords

TOXIN / alpha-toxin / PVL / Leukocidins / MRSA

Function / homology

Function and homology information

cytolysis in another organism / The NLRP3 inflammasome / Purinergic signaling in leishmaniasis infection / toxin activity / extracellular region / identical protein binding
Similarity search - Function

Biological species

Staphylococcus aureus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.35 Å

Authors

Liu, J. / Kozhaya, L. / Torres, V.J. / Unutmaz, D. / Lu, M.

Funding support

United States, 1items

Citation

Journal: J.Biol.Chem. / Year: 2020
Title: Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
Authors: Liu, J. / Kozhaya, L. / Torres, V.J. / Unutmaz, D. / Lu, M.

History

Deposition	Aug 23, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 25, 2020	Provider: repository / Type: Initial release
Revision 1.1	Apr 1, 2020	Group: Database references / Category: citation / citation_author Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed ..._citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2	May 13, 2020	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3	Oct 11, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_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	6u49.cif.gz	849 KB	Display	PDBx/mmCIF format
PDB format	pdb6u49.ent.gz	710.3 KB	Display	PDB format
PDBx/mmJSON format	6u49.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6u49_validation.pdf.gz	792.8 KB	Display	wwPDB validaton report
Full document	6u49_full_validation.pdf.gz	816.2 KB	Display
Data in XML	6u49_validation.xml.gz	4 KB	Display
Data in CIF	6u49_validation.cif.gz	27.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/u4/6u49 ftp://data.pdbj.org/pub/pdb/validation_reports/u4/6u49	HTTPS FTP

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Related structure data

Related structure data	6u2sC 6u33C 6u3fC 6u3tC 6u3yC 6u4pC 7ahlS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3anz-2 7ahl-d 3m3r-d 6u4p-d 3anz-1 3m2l-d 3m4d-d 3anz-4 3m4e-d 3anz-3 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	#261 - Sep 2021 DNA-Sequencing Nanopores similarity (9) #79 - Jul 2006 Amyloid-beta Precursor Protein similarity (2) #189 - Sep 2015 Amyloids similarity (2) #122 - Feb 2010 Enhanceosome similarity (2) #224 - Aug 2018 Legumain similarity (2) #233 - May 2019 S-Nitrosylated Hemoglobin similarity (2) #56 - Aug 2004 Caspases similarity (2) #214 - Oct 2017 Chimeric Antigen Receptors similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#261 - Sep 2021
DNA-Sequencing Nanopores
similarity (9)
#79 - Jul 2006
Amyloid-beta Precursor Protein
similarity (2)
#189 - Sep 2015
Amyloids
similarity (2)
#122 - Feb 2010
Enhanceosome
similarity (2)
#224 - Aug 2018
Legumain
similarity (2)
#233 - May 2019
S-Nitrosylated Hemoglobin
similarity (2)
#56 - Aug 2004
Caspases
similarity (2)
#214 - Oct 2017
Chimeric Antigen Receptors
similarity (1)

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Assembly

Deposited unit

A: Alpha-hemolysin

B: Alpha-hemolysin

C: Alpha-hemolysin

D: Alpha-hemolysin

E: Alpha-hemolysin

F: Alpha-hemolysin

G: Alpha-hemolysin

hetero molecules

242 kDa, 7 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)	150.366, 135.044, 132.449
Angle α, β, γ (deg.)	90.000, 91.530, 90.000
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: _ / Beg auth comp-ID: ALA / Beg label comp-ID: ALA / End auth comp-ID: ASN / End label comp-ID: ASN / Refine code: _ / Auth seq-ID: 1 - 293 / Label seq-ID: 1 - 293

NCS ensembles :

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Components

#1: Protein	Alpha-hemolysin / Alpha-HL / Alpha-toxin Mass: 33290.000 Da / Num. of mol.: 7 / Fragment: UNP residues 27-319 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: hly, hla / Production host: Escherichia coli K-12 (bacteria) / References: UniProt: P09616
#2: Chemical	... ChemComp-PQJ / fos-choline-14 / tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate Mass: 380.523 Da / Num. of mol.: 21 / Source method: obtained synthetically / Formula: C₁₉H₄₃NO₄P / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: SO₄
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 857 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y

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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: 2.88 Å³/Da / Density % sol: 57.36 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 8 mg/mL protein in 10 mM sodium acetate, pH 5.4, 15 mM Fos-Choline-14, 30 mM beta-OG against reservoir solution of 2 M ammonium sulfate, 0.2 M potassium sodium tartrate, 0.1 M sodium citrate, pH 6.0

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 0.886 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 15, 2016
Radiation	Monochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.886 Å / Relative weight: 1
Reflection	Resolution: 2.35→132.4 Å / Num. obs: 103631 / % possible obs: 94.5 % / Redundancy: 2.8 % / CC_1/2: 0.925 / R_merge(I) obs: 0.101 / Net I/σ(I): 7.2
Reflection shell	Resolution: 2.35→2.39 Å / R_merge(I) obs: 0.548 / Mean I/σ(I) obs: 2.1 / Num. unique obs: 7554 / CC_1/2: 0.715

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0158	refinement
PDB_EXTRACT	3.25	data extraction
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 7AHL

7ahl

Resolution: 2.35→132.4 Å / Cor.coef. F_o:F_c: 0.941 / Cor.coef. F_o:F_c free: 0.911 / SU B: 15.888 / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.371 / ESU R Free: 0.246 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: U VALUES : WITH TLS ADDED

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2395	5010	4.8 %	RANDOM
R_work	0.1939	-	-	-
obs	0.1962	98621	94.26 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso max: 201.83 Å² / B_iso mean: 46.182 Å² / B_iso min: 21.74 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.9 Å²	0 Å²	-1.33 Å²
2-	-	-0.03 Å²	-0 Å²
3-	-	-	2 Å²

Refinement step

Cycle: final / Resolution: 2.35→132.4 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16415	0	269	857	17541
B_iso mean	-	-	68.95	40.02	-
Num. residues	-	-	-	-	2051

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.02	0.02	17022
X-RAY DIFFRACTION	r_angle_refined_deg	2.272	1.948	23073
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.768	5	2044
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.32	25.214	819
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.75	15	2947
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.476	15	70
X-RAY DIFFRACTION	r_chiral_restr	0.174	0.2	2455
X-RAY DIFFRACTION	r_gen_planes_refined	0.01	0.021	12796

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	18466	0.07
1	2	B	18466	0.07
2	1	A	18474	0.07
2	2	C	18474	0.07
3	1	A	18432	0.07
3	2	D	18432	0.07
4	1	A	18456	0.07
4	2	E	18456	0.07
5	1	A	18326	0.07
5	2	F	18326	0.07
6	1	A	18456	0.06
6	2	G	18456	0.06
7	1	B	18482	0.06
7	2	C	18482	0.06
8	1	B	18398	0.07
8	2	D	18398	0.07
9	1	B	18480	0.07
9	2	E	18480	0.07
10	1	B	18348	0.06
10	2	F	18348	0.06
11	1	B	18442	0.06
11	2	G	18442	0.06
12	1	C	18378	0.07
12	2	D	18378	0.07
13	1	C	18542	0.07
13	2	E	18542	0.07
14	1	C	18296	0.07
14	2	F	18296	0.07
15	1	C	18482	0.05
15	2	G	18482	0.05
16	1	D	18342	0.07
16	2	E	18342	0.07
17	1	D	18406	0.07
17	2	F	18406	0.07
18	1	D	18414	0.06
18	2	G	18414	0.06
19	1	E	18408	0.07
19	2	F	18408	0.07
20	1	E	18354	0.07
20	2	G	18354	0.07
21	1	F	18306	0.07
21	2	G	18306	0.07

LS refinement shell

Resolution: 2.35→2.411 Å / R_factor R_free error: 0 / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.314	379	-
R_work	0.261	7175	-
all	-	7554	-
obs	-	-	93.42 %

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	8.0244	-0.5914	-2.2717	10.7723	-10.0104	31.3765	0.3172	0.0957	0.632	0.2575	-0.1134	-0.1471	-1.3922	-0.3454	-0.2038	0.1032	0.0098	-0.0134	0.0645	-0.0318	0.3564	-5.6646	23.3211	43.494
2	16.7706	13.4681	0.3595	13.111	1.0081	3.433	0.392	-0.1714	0.1881	0.1207	-0.3356	0.0838	-0.2943	-0.1255	-0.0564	0.1346	-0.0088	0.0314	0.1235	-0.0054	0.2	0.3249	29.6845	47.2756
3	4.776	-5.5147	4.8192	13.7184	-9.9024	10.8398	-0.1313	0.0556	0.1562	0.0865	-0.0615	-0.331	-0.0124	0.0047	0.1929	0.1384	-0.0299	0.0339	0.2079	-0.0691	0.196	4.4299	55.7235	40.169
4	0.5181	0.4978	0.1119	0.7847	0.381	0.2805	0.0488	0.0192	-0.0168	0.074	-0	-0.1413	0.0498	-0.0265	-0.0488	0.1211	0.0123	0.0619	0.1295	0.0139	0.3053	5.9883	48.7821	39.4723
5	4.4289	-3.5993	2.403	5.9895	-2.4979	2.612	-0.0156	-0.073	0.0348	0.1302	-0.0473	-0.1782	-0.0121	0.0041	0.0629	0.1262	-0.0231	0.0361	0.1773	-0.0159	0.1943	1.1559	51.0591	34.5313
6	9.0139	-3.6768	4.0429	4.6299	2.4515	7.4035	-0.4103	0.4376	1.7836	-0.2814	-0.2959	-1.0374	-0.7254	-0.0427	0.7062	0.3521	-0.1546	-0.0338	0.2034	0.0301	0.8493	-15.6189	70.5693	14.3574
7	4.7712	-2.2173	2.4727	2.7863	-0.8125	1.3809	0.2966	0.6618	0.2728	-0.4177	-0.3475	-0.1633	0.0675	0.3187	0.051	0.1825	-0.0046	0.1095	0.2591	0.0691	0.1849	-6.5443	58.2016	18.4636
8	0.648	0.5022	1.0827	1.928	0.9827	1.8692	-0.0231	-0.0555	0.2331	-0.0119	-0.2199	0.1901	0.0212	-0.0941	0.2431	0.1718	0.0244	0.0724	0.1418	-0.0156	0.3496	-5.343	37.9101	27.4146
9	26.3923	-0.5447	11.4943	0.0733	-0.2665	5.026	-0.134	-0.1812	-0.1362	-0.0788	0.1354	-0.0136	-0.0175	-0.1296	-0.0014	0.2389	-0.0831	0.0275	0.2824	-0.0109	0.2744	-50.1058	24.1295	15.4231
10	31.2717	-8.2218	2.5698	3.3935	-0.116	0.7275	0.4657	1.0994	0.3109	-0.4223	-0.3776	0.1468	0.0309	-0.0864	-0.0881	0.2136	-0.0487	-0.109	0.215	0.0549	0.2765	-66.0936	27.2441	8.7538
11	0.1147	-0.2237	-0.2829	1.0204	0.2588	0.8583	0.0094	0.0479	-0.0154	-0.053	-0.0604	0.1139	0.015	-0.1262	0.0509	0.1624	0.0095	0.0494	0.149	-0.0032	0.2189	-15.6994	40.368	21.4378
12	13.6798	-2.4454	5.8606	2.6866	-1.3906	3.0627	-0.066	0.5162	0.0806	-0.1522	-0.0209	-0.0782	-0.0787	0.1411	0.0869	0.1339	0.0127	0.0333	0.1608	0.0009	0.1253	-9.059	48.8002	21.9559
13	1.8546	0.0722	-0.2993	2.3272	-0.2039	1.2509	0.0569	0.4859	-0.1166	-0.2534	-0.0332	0.2731	-0.1813	-0.1325	-0.0238	0.0824	0.0509	0.0088	0.1743	0.037	0.166	-26.4413	56.7889	11.7983
14	0.7927	0.3713	-0.5801	0.3491	0.0203	0.9414	-0.0108	0.1798	0.1687	-0.0687	0.0433	0.1496	-0.1839	-0.2083	-0.0325	0.2354	0.0249	0.0533	0.1262	0.0132	0.2483	-15.209	59.4493	24.3479
15	21.569	7.8411	-8.9067	11.6048	-5.8554	12.2328	-0.0683	0.1117	-0.4433	-0.2784	-0.0056	-0.7633	0.3338	0.6477	0.0739	0.1754	0.0135	-0.0019	0.1537	-0.0467	0.2119	21.9457	40.7588	37.1399
16	5.5476	-5.6105	0.7423	6.5366	-1.411	0.6077	-0.1283	-0.0505	0.282	0.3306	-0.0088	-0.4323	-0.1809	0.0147	0.137	0.1458	-0.0199	0.0448	0.1815	-0.0141	0.19	11.0236	52.3298	30.4153
17	4.2285	-2.9041	3.7162	3.832	-1.9084	6.2935	-0.0689	0.8653	0.245	-0.1181	-0.0919	0.2534	-0.3163	0.3442	0.1608	0.1276	-0.0317	0.0502	0.4385	0.1916	0.2206	-16.0391	63.3256	11.3837
18	0.7955	-0.0258	1.5452	0.1881	-0.0778	3.387	-0.0319	0.2013	0.0655	-0.1873	0.0535	0.0754	-0.1853	0.1001	-0.0216	0.261	0.0353	0.0173	0.2796	0.1269	0.2221	-17.6772	62.291	7.9558
19	27.6824	-13.6172	18.9804	11.225	-11.0401	13.712	0.173	0.9193	-0.2361	-0.1996	-0.2294	-0.1422	0.2048	0.5829	0.0564	0.1583	0.0257	0.0826	0.2007	0.0325	0.265	3.4384	60.1184	23.5196
20	2.1162	-1.2689	3.4298	4.093	-3.1924	6.7951	-0.0548	0.0678	0.3659	0.3458	-0.2054	-0.3621	-0.1817	0.3402	0.2602	0.1142	-0.0162	0.0164	0.1429	-0.0255	0.2685	14.3874	53.0686	38.0194
21	19.8997	4.6548	-3.0897	2.0801	0.551	2.2654	0.1121	0.1611	0.8096	-0.0081	0.0552	0.0642	-0.2013	0.0326	-0.1673	0.2077	-0.0205	-0.0155	0.0628	0.0248	0.2562	-11.4851	19.5231	54.2438
22	5.8307	0.3494	1.1366	8.6747	-6.4524	14.4605	-0.003	-0.5985	-0.2952	0.6933	-0.19	0.2482	-0.1999	-0.1015	0.1931	0.1247	0.0112	0.0213	0.12	-0.0529	0.1801	7.7443	27.4732	48.2766
23	0.7559	0.242	-0.02	0.8102	0.2683	0.1152	0.0333	0.0402	-0.0243	-0.0687	-0.0431	-0.0002	-0.0395	0.0206	0.0099	0.1453	0.0273	0.064	0.1854	-0.0017	0.2802	7.5489	27.6143	34.1744
24	1.4644	-0.1351	0.7659	3.2323	-3.6783	6.052	0.0041	-0.0383	0.0107	0.0988	0.0311	0.1319	-0.0629	0.1608	-0.0352	0.1028	0.0271	0.0516	0.1415	-0.0402	0.1724	2.9152	26.5725	32.7891
25	17.5822	-8.8499	-11.4794	4.9729	2.5243	31.1827	-0.5833	0.4616	0.506	0.1645	-0.4445	-0.4883	0.2712	0.9851	1.0278	0.3264	0.005	0.1149	0.2204	-0.0074	0.2376	-3.7517	37.634	6.6438
26	1.4801	-0.5219	1.2972	0.6872	-0.0621	1.9422	0.0365	0.2859	0.0929	-0.2545	-0.1417	-0.064	-0.0045	0.1464	0.1052	0.1714	0.008	0.0657	0.1974	-0.0346	0.1688	-4.8703	31.5249	8.4541
27	9.746	-2.7063	0.4767	18.8618	-3.0402	17.5387	0.0337	0.7359	-0.4922	-0.1526	-0.0922	-1.1927	1.1414	0.9378	0.0586	0.1861	0.0984	-0.0347	0.2304	-0.1631	0.2797	9.902	11.4873	28.8184
28	5.3457	0.3795	0.8098	0.0847	0.0295	0.3335	0.185	0.2277	0.0737	-0.0334	-0.065	0.0359	0.1123	-0.0489	-0.1201	0.1436	0.0087	0.033	0.189	0.0038	0.1797	-15.8391	19.0941	32.1117
29	41.5943	-18.5047	16.7243	8.2851	-7.4401	6.7266	-0.2327	-1.2099	-0.3611	0.2359	0.3874	0.1505	-0.0793	-0.485	-0.1546	0.5698	-0.3532	0.0741	0.466	0.0321	0.1964	-57.706	26.8955	22.9777
30	1.8814	-0.065	-0.3224	0.3068	0.2337	0.2218	0.0232	0.6087	0.2287	-0.0819	-0.056	0.1406	-0.0592	-0.1262	0.0328	0.0827	-0.0023	-0.0137	0.2085	0.082	0.3037	-45.8707	30.2359	18.3554
31	9.8388	-3.6182	1.0246	15.5532	-3.4314	6.2729	0.2759	0.2676	0.1546	-0.3855	-0.3184	-0.0219	0.0815	0.1392	0.0425	0.131	0.0089	0.0329	0.138	-0.0405	0.1029	-0.5622	13.3146	28.8892
32	0.0538	0.1927	0.086	0.9581	0.5597	1.4511	-0.0357	0.0508	0.0036	-0.2042	-0.0482	0.0947	0.0792	-0.2915	0.0839	0.119	0.0236	0.0402	0.2668	-0.0414	0.1975	-18.0417	30.5645	10.2394
33	7.3789	0.1713	-4.9709	8.0103	2.8042	13.8302	-0.0715	0.5109	0.021	-0.6666	-0.0698	0.1791	-0.0406	-0.3888	0.1413	0.1852	0.0502	-0.0074	0.2127	0.0275	0.1809	-17.7977	42.9702	-1.3203
34	0.593	0.2797	-0.0913	0.1454	-0.0357	0.0183	-0.013	0.1591	0.0512	-0.0457	0.0406	0.0087	-0.022	-0.0386	-0.0277	0.1824	0.0386	0.0654	0.168	-0.0213	0.1761	-6.2375	33.9423	20.3259
35	8.4849	-2.5291	-2.3335	3.634	-0.438	9.8307	0.0038	-0.2259	-0.4879	-0.2705	0.007	-0.2907	0.6953	0.8065	-0.0108	0.1439	0.0014	0.0575	0.1131	0.0066	0.3671	15.0138	11.6799	42.2892
36	1.297	-0.2905	0.5828	0.4905	-0.6706	1.527	0.0582	0.2371	0.0314	-0.0871	-0.0687	-0.1386	0.025	0.1289	0.0104	0.1157	0.0284	0.0976	0.1023	-0.0236	0.2022	1.0992	25.6593	17.5842
37	8.3958	2.3627	8.7446	2.096	-1.8806	22.4713	-0.0906	0.8133	0.0956	-0.1702	0.2062	0.0665	0.0648	0.8762	-0.1156	0.4759	0.1612	0.0761	0.3369	-0.0417	0.1492	-13.5265	35.1939	-4.3289
38	3.1475	-1.3113	1.8289	3.5934	-2.6973	2.3711	0.1574	0.5281	-0.1054	-0.2412	-0.0536	0.1522	0.1641	0.1408	-0.1038	0.1293	0.062	0.0223	0.2297	-0.0723	0.0827	-11.414	30.0368	0.8997
39	7.4753	-5.473	6.4527	12.5436	-14.4478	21.0379	-0.5018	0.0962	-0.6263	0.3554	0.2674	-0.0169	-0.2488	0.039	0.2344	0.1715	0.0237	0.0891	0.0883	-0.0245	0.1529	7.3391	25.0024	19.029
40	3.6671	-1.0241	1.3429	2.4847	-2.6507	8.5368	0.0349	0.1062	0.0608	-0.0033	-0.1473	-0.3189	-0.0818	0.6982	0.1124	0.1111	0.0209	0.0543	0.13	-0.0048	0.2067	15.4191	22.2196	36.917
41	14.5522	-4.1186	1.1996	2.0414	-1.1188	8.2209	-0.0755	0.1979	0.3818	-0.2843	-0.1259	-0.4077	-0.2765	0.3285	0.2013	0.1818	-0.0216	0.0612	0.0754	0.0139	0.238	-22.762	26.6445	64.143
42	35.9113	-7.9841	-9.5312	12.4239	3.5307	3.8992	0.13	-0.8193	0.9877	0.4075	0.2391	-0.6574	-0.155	0.1814	-0.369	0.2347	-0.0189	-0.0001	0.0941	0.0152	0.2758	-11.4535	19.336	63.55
43	6.7012	-0.6365	-2.4152	8.0423	10.9562	29.988	-0.1207	-0.3446	0.0022	0.4033	-0.0597	-0.0745	0.7063	0.5759	0.1804	0.1019	-0.0196	0.0077	0.1093	0.0204	0.1877	-0.9059	14.4919	57.3286
44	7.4155	3.5745	5.6247	3.7567	5.7692	22.3599	-0.0714	0.448	-0.4243	-0.2771	0.1499	-0.0817	0.2274	0.6785	-0.0785	0.1578	0.0488	0.0207	0.1085	0.0171	0.1985	-1.21	4.7117	34.9874
45	1.2351	0.3109	-0.3101	0.0922	-0.0871	0.0852	0.0218	-0.1117	-0.0361	-0.0241	-0.0187	0.036	0.0188	0.0417	-0.0031	0.1781	0.018	0.0644	0.0848	-0.0151	0.3183	-6.392	9.7647	51.3646
46	1.2432	0.0668	-0.043	1.074	-0.5608	9.2013	-0.0179	0.1561	-0.0871	-0.153	-0.0702	0.071	0.356	0.0732	0.0881	0.163	0.0233	0.0168	0.1244	-0.0278	0.2889	-10.7748	8.1571	37.0986
47	13.7165	-14.2848	-22.715	14.8879	23.6702	37.6355	-0.9081	-0.8954	0.0287	0.9841	0.9931	-0.0529	1.5608	1.5509	-0.085	0.2312	0.22	-0.1854	0.4006	-0.2063	0.7393	-17.163	0.5646	5.0751
48	0.5045	-0.0432	-0.1809	0.4694	-0.3839	3.0544	0.0383	0.0232	-0.1137	-0.0761	-0.0167	-0.0465	0.3827	-0.0695	-0.0216	0.1821	-0.0267	0.0296	0.1262	-0.0185	0.2831	-17.3442	3.7241	40.8762
49	12.92	-9.8899	7.1603	9.7178	-6.3883	5.0391	0.1655	0.3634	0.1032	-0.2187	-0.1818	-0.0045	0.0235	0.0199	0.0163	0.1641	0.0082	0.0312	0.1523	-0.0188	0.0978	-44.3696	26.2213	35.3685
50	9.5469	-9.3222	12.867	28.1064	-25.6111	33.8375	-0.0094	-0.166	0.1504	0.9068	0.265	0.596	-0.8418	-0.4273	-0.2556	0.164	0.0449	0.0375	0.231	-0.0292	0.3113	-63.2245	43.1255	18.1818
51	28.8864	-18.4249	-0.593	19.5792	-18.8025	47.016	1.1424	0.466	-0.5388	-1.3555	0.6582	1.0799	1.5149	-2.3483	-1.8006	0.1403	-0.0723	-0.1608	0.2991	-0.0604	0.3873	-69.265	49.0838	1.9093
52	3.346	2.9762	-2.8933	8.7393	0.0081	3.5976	0.0367	0.1159	0.1239	-0.6097	0.0226	0.248	-0.2971	-0.1546	-0.0592	0.0988	-0.078	-0.0226	0.2623	0.0736	0.3573	-64.6059	38.8342	18.4582
53	0.7902	0.1389	-0.1197	0.1035	0.1079	0.6776	0.0936	0.1231	-0.0483	-0.0061	-0.0303	0.0408	-0.0393	0.0265	-0.0633	0.1336	-0.0185	0.0379	0.1365	-0.0257	0.279	-30.0909	13.2321	37.4839
54	1.6804	-0.0408	0.6266	0.5078	-0.6565	1.1013	0.0701	0.3442	-0.2055	-0.1222	0.1551	0.0811	0.1013	-0.1544	-0.2252	0.1629	0.0418	0.0416	0.1995	-0.0388	0.2081	-28.179	11.3851	19.6269
55	0.8607	-0.0492	0.4657	0.8958	-0.3573	1.9947	-0.0323	0.3053	-0.0428	-0.298	-0.0595	-0.0317	-0.0001	0.0514	0.0919	0.1701	-0.0003	0.0639	0.191	-0.0604	0.2284	-16.934	12.4067	23.1082
56	1.8555	-0.7873	1.7361	2.5512	0.6053	7.7658	0.0591	-0.2022	-0.0647	0.2724	0.0556	-0.2608	0.631	0.2464	-0.1147	0.1325	-0.0078	0.0094	0.1287	0.0216	0.264	-7.4115	-1.2485	57.2456
57	2.4766	0.79	1.419	1.498	0.9866	6.0809	0.2162	0.2949	-0.2928	-0.353	0.089	0.2039	0.3358	-0.0969	-0.3052	0.2955	-0.0005	-0.0257	0.0862	-0.0428	0.2644	-20.4773	3.0642	18.5796
58	4.6854	-0.045	1.0714	0.2468	-0.9999	4.3677	0.3766	0.2267	-0.4458	-0.1796	0.0796	0.0759	0.6217	-0.38	-0.4562	0.3635	-0.0063	-0.0198	0.1405	-0.0984	0.2611	-24.9658	1.9321	14.9333
59	2.8765	-3.323	4.8699	6.1984	-7.2937	31.2876	0.264	-0.0905	-0.6244	0.383	0.0553	0.285	1.0684	-0.1876	-0.3193	0.3353	-0.0337	-0.0715	0.0954	0.0144	0.3776	-9.2388	-1.7822	35.6507
60	2.2181	2.3334	0.826	3.5954	2.4969	9.4932	0.1905	-0.0417	-0.1754	0.0842	0.1403	-0.4447	0.2114	0.524	-0.3308	0.1033	0.0506	0.0199	0.1162	-0	0.2278	-1.1984	1.9081	53.0281
61	4.5731	-5.3279	3.5608	13.0361	-5.7256	3.1427	0.2147	0.2335	-0.0799	-0.3751	-0.2295	-0.0853	0.2145	0.1804	0.0147	0.1377	0.023	0.0861	0.1315	0.014	0.2053	-24.1851	38.4977	66.6979
62	4.1918	2.377	2.8492	1.5291	2.7869	12.4651	-0.1739	-0.0076	0.5539	-0.005	0.1481	0.2474	-0.0608	0.6206	0.0258	0.1912	0.1188	-0.0345	0.2112	-0.0335	0.2952	-14.8364	20.7909	71.5853
63	6.5083	-0.9318	2.1094	0.4778	0.3168	3.5603	0.2228	0.1749	-0.4109	-0.1242	-0.1145	0.0025	0.4018	0.0064	-0.1083	0.2067	0.0022	0.0382	0.1214	0.0329	0.1868	-26.2608	-0.7587	56.6006
64	0.1213	-0.2996	-0.327	2.0567	1.44	1.3971	0.0167	-0.0411	-0.0198	0.097	-0.008	-0.0658	0.0541	-0.0865	-0.0087	0.1257	-0.0285	0.0367	0.1231	0.0394	0.2559	-24.2696	14.6066	66.0557
65	29.4236	-2.5847	-3.572	11.5977	12.8117	14.2357	-0.0828	-0.3516	-1.3785	1.322	-0.1843	0.3192	1.4838	-0.0717	0.2671	0.2267	-0.0254	-0.0692	0.2689	-0.1011	0.3389	-38.3095	-3.6004	39.811
66	1.8517	-6.0336	-2.6429	31.8737	13.6221	5.8304	0.0155	-0.28	-1.1266	1.2479	-0.4488	0.89	0.5458	-0.1461	0.4333	0.651	-0.0322	-0.6798	0.232	0.3858	1.5872	-45.5448	-10.6746	32.5801
67	1.9548	1.044	2.0408	2.612	3.5106	9.4055	0.0789	-0.1408	-0.1476	0.1337	-0.0396	0.0521	0.3707	-0.281	-0.0393	0.0814	0.0063	0.0149	0.0913	0.0487	0.2568	-38.8506	5.814	57.5769
68	1.8496	-1.9558	2.3213	2.9735	-2.6868	3.018	0.0261	0.1921	-0.0188	0.0394	0.0296	0.199	-0.0954	0.1973	-0.0557	0.1825	-0.018	0.0608	0.0865	-0.0132	0.2529	-39.522	27.2722	54.0362
69	5.3611	-1.847	17.9356	4.8188	-8.5838	61.4561	-0.1353	-0.0105	0.215	-0.1382	-0.404	0.042	-0.2776	0.1209	0.5392	0.1296	-0.0009	0.0235	0.2587	0.0721	0.4377	-55.4353	47.9179	17.5519
70	1.5573	-0.4519	-4.2971	0.5139	-0.8962	26.9995	0.2768	0.6428	-0.5361	-0.3894	-0.1475	0.4005	0.4219	-2.8571	-0.1293	0.3927	0.2304	-0.2542	0.5069	-0.1283	0.3659	-61.1068	47.4496	-1.7809
71	4.9202	-6.6794	6.3114	9.1245	-8.6126	8.1936	-0.0132	0.2476	0.1486	-0.0692	-0.2596	-0.1895	0.0113	0.2037	0.2728	0.1754	-0.0527	-0.0266	0.2026	0.0128	0.2626	-51.8762	37.1584	30.9753
72	0.3669	0.0602	-0.0609	0.8762	0.3718	2.4468	0.0608	0.086	0.0134	-0.1642	0.0043	0.128	0.135	-0.2579	-0.0651	0.0914	-0.0236	0.0211	0.1323	0.0203	0.2282	-43.794	12.7551	43.7239
73	6.4647	9.5393	-4.0672	18.524	-0.9206	8.3694	-0.1653	0.2844	-0.1095	-0.434	0.0495	-0.1376	-0.0671	-0.6328	0.1158	0.3128	-0.0582	-0.0259	0.2067	-0.1503	0.1556	-44.0101	-0.1256	24.1086
74	0.8589	0.2305	0.1201	0.3511	-0.2902	0.4943	-0.0135	0.2647	-0.1075	-0.1377	0.079	0.0217	0.2466	0.1207	-0.0655	0.1874	0.0394	0.0243	0.1645	-0.0395	0.2481	-33.0069	8.4751	46.1646
75	4.8967	2.7998	1.8436	6.1607	-2.4439	12.2845	0.1754	-0.3538	-0.1672	0.6686	-0.3463	-0.0095	0.3473	-0.036	0.1709	0.1631	-0.0032	0.0791	0.1249	0.0241	0.2067	-27.2476	13.5381	83.2483
76	1.5154	0.2776	3.3528	0.2666	0.4181	8.1032	0.1612	-0.0284	-0.1617	-0.0387	0.0355	0.0538	0.5691	-0.2565	-0.1967	0.1324	-0.0283	0.0305	0.0896	-0.0256	0.2277	-39.0535	2.6569	52.5919
77	22.648	-4.5377	17.5929	10.981	13.8728	43.7189	1.1236	0.7796	-1.7646	-0.355	-0.3327	0.6917	0.6408	0.3114	-0.791	0.2463	-0.1671	-0.1371	0.2694	-0.0447	0.2347	-53.0768	-3.6747	25.7439
78	2.2956	-0.8772	-1.0968	1.7656	0.5399	3.3508	-0.079	0.0468	-0.3008	-0.1314	-0.0347	0.2109	0.343	-0.412	0.1137	0.1497	-0.1122	-0.0297	0.1363	-0.0171	0.3034	-49.8467	1.0335	37.8822
79	12.1513	2.8307	11.4587	6.5363	5.9475	23.8206	0.163	0.1129	0.0136	0.0556	-0.0129	0.1466	0.2382	-0.0572	-0.1501	0.1576	-0.0549	0.044	0.0527	0.0407	0.2105	-37.6641	-0.6645	56.7385
80	4.6591	3.1878	2.6985	5.137	3.1626	4.314	0.2401	-0.0667	-0.3856	0.2061	0.0039	-0.5129	0.2752	0.1427	-0.2441	0.127	0.0134	0.0174	0.1021	0.0237	0.2225	-22.9322	7.422	74.0626
81	1.3724	1.0009	0.1364	11.9284	-2.5126	13.8554	0.2627	0.1274	-0.369	0.0569	-0.2283	-0.2508	0.7913	0.7358	-0.0343	0.1545	0.0395	0.011	0.0973	-0.0208	0.2664	-17.4142	51.6322	58.9261
82	7.7976	-4.448	-1.7255	13.3336	-13.0988	19.1727	-0.2936	-0.194	0.4501	0.4448	-0.3109	-1.0014	-0.2082	0.3698	0.6045	0.1553	-0.0688	-0.0272	0.1923	0.0572	0.3472	-18.6584	44.9098	70.5585
83	14.39	8.193	3.0269	6.5616	1.2319	1.9505	0.3005	-0.1059	-0.1874	0.274	-0.1232	-0.0444	0.1441	-0.1621	-0.1774	0.1744	0.0451	0.0213	0.1468	-0.0054	0.143	-34.8276	26.4238	76.0031
84	1.4483	1.671	0.6828	2.8546	0.5326	0.8315	0.0504	-0.0125	0.0421	0.1224	-0.0523	0.059	0.0417	0.0405	0.0019	0.1153	0.0221	0.0635	0.1255	0.0057	0.2313	-33.2694	34.3726	73.3134
85	23.2479	-6.9073	20.2957	18.3375	-2.3458	18.5523	0.9709	-1.4798	-0.8882	2.6296	-0.3845	1.0776	1.5129	-1.4779	-0.5863	0.5744	-0.2112	0.1564	0.1359	0.0061	0.2971	-59.4209	17.8103	59.4845
86	14.7765	2.7362	-8.1623	46.215	-18.7521	11.0201	-0.6315	-1.3895	0.1733	1.4341	0.774	0.0178	-0.268	0.3943	-0.1425	0.2506	0.052	0.1373	0.5077	0.0154	0.4327	-70.5145	14.3159	55.4672
87	1.5716	1.0433	1.2898	1.2816	0.5483	1.2337	0.0318	-0.2084	0.0006	0.1054	-0.1298	-0.0585	-0.0122	-0.1716	0.098	0.1321	0.0157	0.0665	0.1693	0.0015	0.2962	-44.654	37.898	68.7402
88	0.7775	-0.6171	2.7865	1.3162	-2.0448	14.5346	0.0235	0.0244	-0.1389	-0.1854	0.0314	0.1008	0.517	-0.4365	-0.0549	0.1182	-0.0378	0.0308	0.1426	-0.0154	0.2132	-42.8964	46.8353	36.5236
89	6.5647	7.4062	14.2309	12.7936	20.4521	41.5102	-0.2204	0.5407	0.1381	-0.4922	0.0397	0.4732	-0.5628	0.4914	0.1807	0.1881	0.0433	-0.0537	0.1991	0.1029	0.2978	-51.0318	42.7272	1.8127
90	1.6795	1.7094	1.3761	6.3419	4.4839	3.2028	-0.3789	0.3425	0.1947	-0.7749	-0.2165	0.9541	-0.566	-0.1049	0.5954	0.149	0.0054	-0.1357	0.2128	0.0447	0.4271	-54.085	44.2705	1.5687
91	0.9532	0.0239	0.3482	0.2913	0.2261	0.7368	-0.0681	0.014	-0.0413	-0.0323	0.0215	0.0026	-0.0259	-0.0201	0.0466	0.1464	-0.0023	0.026	0.1168	-0.0079	0.2875	-45.7133	41.4849	52.6137
92	0.1704	0.2597	-0.2688	0.4001	-0.4122	0.4281	-0.0528	0.0777	0.034	-0.0995	0.1249	0.041	0.0974	-0.1207	-0.0721	0.1399	-0.0072	0.0363	0.1252	-0.0234	0.2764	-49.3529	31.7571	53.5411
93	2.0174	-0.6542	-0.1609	0.3295	0.4921	1.8759	-0.1543	0.3289	0.0522	-0.0029	-0.0632	0.069	-0.0877	-0.0395	0.2175	0.1596	-0.0907	-0.0379	0.1267	0.0558	0.3467	-61.4077	27.4697	45.3159
94	4.6996	1.5452	-3.0107	7.6233	0.4954	2.2395	-0.1712	0.2625	0.0336	-0.2799	0.1743	0.1533	0.0604	-0.141	-0.003	0.1704	-0.0574	-0.0094	0.1664	0.0212	0.2682	-62.4193	14.8625	47.1617
95	0.6088	-0.3158	-0.04	0.3479	-0.1979	0.2843	0.0392	0.0529	-0.0954	-0.073	0.011	0.0675	0.0706	-0.0053	-0.0501	0.1235	0.0012	0.0363	0.1193	0.0149	0.2638	-41.8422	29.1469	61.9577
96	10.7265	-3.323	-1.096	4.6665	7.4303	14.2508	0.2057	-0.5414	0.665	0.0858	-0.1225	-0.0703	-0.1988	-0.3771	-0.0832	0.7313	-0.2195	0.4119	0.1681	-0.0909	0.4031	-31.0984	46.3902	87.8009
97	1.7741	1.0569	2.2319	1.087	1.627	3.7153	0.12	-0.3547	-0.2339	0.0225	-0.0532	0.0225	0.0669	-0.5269	-0.0668	0.1309	-0.0375	0.0507	0.1739	0.0476	0.2266	-55.1843	27.9844	64.3073
98	1.4881	0.9932	1.4951	3.2083	0.8914	4.2241	-0.0478	-0.1649	0.1309	-0.1682	-0.1441	0.2987	0.1676	-0.6394	0.1919	0.0474	-0.0349	0.0273	0.1534	0.0186	0.2574	-66.0447	25.2495	53.6836
99	31.4582	13.8266	28.763	9.0782	12.5177	32.4338	-0.2223	-0.9255	0.7874	0.12	-0.2193	0.1464	-0.4869	-0.5378	0.4417	0.2007	-0.0175	0.0516	0.1868	0.0219	0.2249	-49.6546	29.082	74.8347
100	8.2176	1.9496	4.0916	3.2604	0.4086	2.16	0.3112	-0.59	-0.2981	0.3668	-0.2459	-0.3336	0.1314	-0.2529	-0.0653	0.1807	0.0289	0.0677	0.163	0.0493	0.1346	-33.5277	34.4586	84.3504
101	16.4624	-2.5958	2.5677	13.2556	-0.1467	8.4497	0.1233	-0.3126	-0.6708	0.2495	0.0806	0.6837	0.0098	-0.5178	-0.2039	0.1823	-0.0977	0.0751	0.1459	-0.0275	0.1733	-7.6054	51.7024	46.3684
102	2.019	0.7691	-3.7519	4.4042	6.3394	22.4537	-0.0482	-0.1939	-0.008	0.1795	0.0439	-0.0172	0.4036	0.3152	0.0043	0.1203	-0.0074	0.0141	0.1355	-0.0125	0.1945	-8.2138	51.847	58.4843
103	21.5909	-1.7375	-3.7857	3.453	-1.6432	4.721	-0.2875	-0.0837	0.1181	-0.0048	0.0929	-0.1449	0.1388	0.2918	0.1946	0.1662	-0.005	-0.0093	0.1081	0.0218	0.1377	-18.8065	52.4164	72.9071
104	3.6702	-0.4835	4.4622	5.12	-2.3629	6.9382	0.117	-0.515	0.0468	0.1212	0.1582	0.5783	-0.1034	-0.7003	-0.2752	0.1361	0.0024	0.0367	0.1064	-0.0047	0.2106	-43.4986	55.5016	72.8826
105	5.0906	1.3927	-0.3422	0.6134	0.073	0.5748	-0.0458	-0.0716	0.0686	-0.0014	0.0183	-0.0019	-0.0272	0.0311	0.0275	0.1263	0.0152	0.033	0.0968	-0.0013	0.1937	-26.0894	56.5812	66.9718
106	17.5882	-3.6471	12.9434	16.8567	-20.9223	30.187	0.1694	-2.3197	0.7043	1.4222	0.226	0.6626	-1.5135	-1.4176	-0.3955	0.2297	-0.0555	0.1569	0.3615	-0.2248	0.375	-59.0629	52.6315	59.9225
107	44.9542	-93.9014	20.0584	196.6458	-42.0403	8.9905	-4.1308	-2.6333	-3.5989	9.2384	5.815	7.7949	-2.0207	-1.241	-1.6842	1.1764	0.2963	0.8033	1.2393	-0.0536	0.6493	-70.9606	54.5541	57.5836
108	3.5234	0.8676	0.6316	1.5619	-0.0104	0.7742	-0.0692	-0.1156	0.2002	0.0707	-0.024	0.0816	-0.1518	-0.0373	0.0932	0.1952	0.0277	0.0416	0.1333	0.0089	0.1802	-36.0141	62.3949	58.6901
109	1.9912	1.517	3.8035	4.8132	6.4284	14.9602	0.0807	0.0114	-0.1141	0.1082	-0.2538	0.2161	0.5423	-0.5052	0.1731	0.1331	0.0021	0.0275	0.1722	-0.0011	0.2108	-34.8033	49.5053	27.3257
110	16.1003	12.4684	19.3311	16.244	18.3964	25.0831	0.0839	1.4082	-0.0553	0.2792	0.061	0.1677	0.3606	1.1323	-0.1449	0.3583	-0.0157	-0.1097	0.3086	0.0619	0.343	-48.4636	33.7787	1.3137
111	1.5526	1.5359	0.7393	2.4366	1.7631	2.416	-0.1737	0.4909	0.3763	-0.2285	0.0305	0.4769	0.0508	-0.2481	0.1432	0.0845	-0.0061	-0.071	0.3772	0.047	0.2264	-49.6239	37.7788	4.1841
112	0.7096	0.1221	-0.0757	0.8656	0.191	0.6382	-0.0564	0.0175	-0.0121	-0.201	-0.0236	0.1396	-0.0404	-0.159	0.08	0.1243	0.0087	0.0123	0.102	0.0088	0.2424	-46.446	55.3052	46.1772
113	8.5719	-4.7649	-5.23	9.1433	-0.6594	5.1538	0.0269	0.5422	-0.0973	-0.145	0.2	0.6666	0.0724	-0.6187	-0.2268	0.0382	-0.0877	-0.0248	0.2939	-0.0638	0.3932	-67.7662	45.9394	47.8982
114	0.0409	0.0156	-0.0645	0.3413	-0.3583	0.4616	-0.0029	-0.0321	-0.0494	-0.059	0.0236	0.1325	0.0665	-0.0426	-0.0207	0.0903	0.0093	0.0521	0.1488	-0.016	0.3251	-44.1984	50.6403	57.6699
115	7.8151	-5.031	-9.2466	13.7266	13.2269	18.6558	0.0099	0.1926	0.4801	-0.0216	0.3193	0.1307	-0.9668	0.2399	-0.3292	0.3479	-0.0332	-0.0177	0.1368	0.0132	0.1918	-14.0046	71.4693	71.6905
116	5.8885	2.7397	2.3741	1.7779	1.1164	1.6842	-0.0409	-0.359	0.1078	-0.0089	-0.0832	0.155	-0.1353	-0.2954	0.1241	0.1389	0.0395	0.0316	0.1291	-0.0247	0.2214	-44.6917	61.5333	61.8827
117	41.8414	-5.1709	20.3665	29.4196	12.4281	17.6742	-0.6407	-0.5328	0.8847	-0.5769	-0.7063	1.6617	-0.6518	-0.6574	1.347	0.0527	0.1215	0.0156	0.3642	0.1231	0.6792	-73.648	52.293	43.9084
118	3.182	-0.4349	2.3054	0.9504	-0.4249	1.7027	-0.2937	-0.1889	0.2867	-0.0497	0.0431	0.0863	-0.2295	-0.1887	0.2506	0.0743	0.0805	0.0072	0.1837	-0.0433	0.3361	-55.3298	60.808	55.5405
119	8.4847	-5.373	0.6476	13.3603	-9.4712	13.2209	-0.1968	0.1383	-0.1818	0.9022	-0.0621	0.87	0.262	0.3345	0.2589	0.4139	-0.0299	0.1831	0.2714	-0.0205	0.3569	-32.6377	64.1884	74.0409
120	12.47	2.3532	0.6376	2.2633	-1.6848	5.8283	-0.0825	-0.7815	-0.265	0.2436	-0.103	-0.0536	0.1671	-0.0147	0.1855	0.1568	0.0339	0.0403	0.106	-0.0202	0.1313	-22.5196	62.0464	76.4492
121	0.856	3.0647	2.9	12.4146	9.1581	10.9003	0.0987	-0.1146	0.0655	0.4389	-0.3849	0.1685	0.2805	-0.4747	0.2862	0.0887	-0.0081	0.078	0.1387	-0.0025	0.2321	-0.8827	41.0591	44.1936
122	12.2839	-5.2907	1.0838	7.7054	-1.0559	5.5793	-0.1165	-0.165	-0.5393	0.0733	0.1583	-0.3381	0.4186	0.3192	-0.0418	0.1982	-0.0387	-0.0002	0.1654	0.0009	0.1867	-4.2475	58.3197	58.6783
123	11.7761	-5.3688	11.5524	3.6546	-9.2415	24.4448	-0.2271	0.2371	0.6345	0.4274	0.1168	-0.1248	-1.3305	-0.5161	0.1104	0.1949	0.0206	0.015	0.1077	0.0047	0.1977	-24.2427	76.2009	52.916
124	1.9816	-0.8199	-0.4279	0.6714	0.6138	0.6996	0.0432	-0.0273	0.1073	-0.0246	-0.001	-0.0717	0.0078	0.0472	-0.0422	0.1481	-0.0023	0.0571	0.0981	0.0285	0.2424	-9.7561	63.1028	51.1411
125	13.2362	-0.4257	-2.338	2.4161	-6.2706	17.1845	0.372	-0.6726	1.5572	0.3859	-0.1105	-0.0657	-1.0874	0.468	-0.2616	0.227	0.0298	0.005	0.1177	-0.0269	0.2997	-39.6519	75.4574	41.0747
126	27.13	-27.2753	-20.8417	27.4493	20.9583	16.0424	0.6132	-0.2662	0.9198	-0.7097	0.1906	-0.8717	-0.5426	0.2548	-0.8038	0.7846	-0.2536	-0.2878	0.4688	-0.1096	0.5759	-48.6959	82.1212	35.7734
127	5.4287	-1.1544	1.6017	0.2763	-0.168	1.4643	0.0343	0.3211	0.5196	-0.011	-0.0817	-0.1238	-0.058	0.0637	0.0474	0.1576	-0.0166	0.0522	0.1229	0.0357	0.2388	-23.7991	72.3288	38.6616
128	2.897	1.3408	2.0004	2.3555	2.1152	2.875	-0.0699	0.1158	0.26	0.0013	-0.0586	0.1303	0.0188	-0.002	0.1285	0.1589	0.0259	0.0736	0.1574	0.0529	0.191	-14.3107	55.0946	33.431
129	41.5502	15.8297	16.5634	7.3574	4.7861	8.3619	-0.1781	1.1584	-0.7616	-0.4885	0.4416	-0.3205	0.3849	0.4268	-0.2636	0.3133	0.0872	0.0627	0.1869	-0.0857	0.2143	-43.915	28.2906	8.1517
130	11.3089	5.078	-0.7667	2.89	1.341	4.7158	-0.2578	0.5987	0.4168	-0.2808	-0.0034	0.2775	-0.4654	-0.7796	0.2611	0.1461	0.0143	-0.1777	0.1749	0.0505	0.245	-63.6577	23.544	1.267
131	10.6293	9.2487	10.2391	8.2183	9.2787	10.7563	0.1958	0.2652	0.0883	0.1346	0.0404	-0.0299	0.1974	-0.0949	-0.2362	0.1839	0.0452	0.0039	0.2597	0.0382	0.1849	-37.5899	38.0075	12.1288
132	4.3136	1.3607	1.5117	1.3024	0.7446	1.4374	-0.1571	0.1916	0.3181	-0.1061	0.097	0.0471	-0.0799	0.0706	0.0601	0.1615	0.0211	0.056	0.1384	0.0419	0.1911	-18.9338	60.8948	34.3913
133	0.2332	0.2572	0.4888	1.681	0.1883	1.2941	0.0129	0.0609	-0.0331	-0.1056	0.0137	0.1944	-0.0453	-0.0454	-0.0266	0.1045	0.0873	0.0257	0.235	-0.0631	0.254	-38.9419	64.0786	28.8238
134	23.9968	-7.3655	0.1098	17.138	-2.0569	1.006	0.0074	0.7943	-0.7664	-0.6219	-0.1952	0.7702	0.0586	-0.2451	0.1879	0.1687	0.0229	-0.0268	0.157	-0.0527	0.2051	-52.3026	67.6413	31.5795
135	0.0297	-0.067	-0.0343	0.5376	-0.0955	0.1787	-0.0037	-0.0257	-0.0407	0.0046	0.0195	0.1708	-0.0452	-0.0368	-0.0158	0.1429	0.041	0.0474	0.1467	0.0094	0.2437	-31.6642	65.5913	42.723
136	14.0438	8.695	-3.5459	6.9986	-5.1928	6.7087	-0.0028	-0.1155	0.3329	0.007	-0.2596	-0.2137	-0.1656	0.3999	0.2623	0.1703	-0.0506	0.2319	0.0675	-0.0207	0.8503	6.9246	69.5917	50.0913
137	6.7318	0.4461	3.6947	1.6765	0.9675	2.3628	-0.3073	0.3047	0.2687	-0.0025	0.1348	0.025	-0.2122	0.1859	0.1725	0.1586	0.035	0.0303	0.106	0.0231	0.2353	-18.5254	73.5923	43.425
138	1.325	-0.2655	-0.2916	0.6649	-0.1878	1.3905	-0.0092	0.3241	0.3184	-0.0898	-0.1058	0.0792	-0.2016	-0.0235	0.1151	0.1722	0.0337	0.019	0.1184	0.051	0.3468	-38.8989	75.5869	31.6548
139	10.4903	-0.1705	-3.6045	14.1474	-4.4593	17.71	-0.0592	-0.3823	0.7027	0.5639	0.1906	0.256	-0.5072	0.0646	-0.1314	0.1866	-0.0071	0.0153	0.0831	-0.0167	0.1668	-9.3438	75.5141	51.4573
140	13.6798	-3.3057	0.7691	2.3892	1.0764	3.4432	-0.0607	-0.5841	0.5882	0.439	0.0794	-0.1093	-0.0165	-0.138	-0.0188	0.1663	-0.0157	0.0177	0.0877	0.0023	0.1834	-1.9797	69.7661	56.4728

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 6
2	X-RAY DIFFRACTION	2	A	7 - 15
3	X-RAY DIFFRACTION	3	A	16 - 31
4	X-RAY DIFFRACTION	4	A	32 - 49
5	X-RAY DIFFRACTION	5	A	50 - 64
6	X-RAY DIFFRACTION	6	A	65 - 71
7	X-RAY DIFFRACTION	7	A	72 - 92
8	X-RAY DIFFRACTION	8	A	93 - 113
9	X-RAY DIFFRACTION	9	A	114 - 124
10	X-RAY DIFFRACTION	10	A	125 - 140
11	X-RAY DIFFRACTION	11	A	141 - 163
12	X-RAY DIFFRACTION	12	A	164 - 174
13	X-RAY DIFFRACTION	13	A	175 - 200
14	X-RAY DIFFRACTION	14	A	201 - 234
15	X-RAY DIFFRACTION	15	A	235 - 240
16	X-RAY DIFFRACTION	16	A	241 - 249
17	X-RAY DIFFRACTION	17	A	250 - 261
18	X-RAY DIFFRACTION	18	A	262 - 275
19	X-RAY DIFFRACTION	19	A	276 - 280
20	X-RAY DIFFRACTION	20	A	281 - 293
21	X-RAY DIFFRACTION	21	B	1 - 14
22	X-RAY DIFFRACTION	22	B	15 - 24
23	X-RAY DIFFRACTION	23	B	25 - 49
24	X-RAY DIFFRACTION	24	B	50 - 64
25	X-RAY DIFFRACTION	25	B	65 - 68
26	X-RAY DIFFRACTION	26	B	69 - 88
27	X-RAY DIFFRACTION	27	B	89 - 93
28	X-RAY DIFFRACTION	28	B	94 - 116
29	X-RAY DIFFRACTION	29	B	117 - 121
30	X-RAY DIFFRACTION	30	B	122 - 157
31	X-RAY DIFFRACTION	31	B	158 - 166
32	X-RAY DIFFRACTION	32	B	167 - 197
33	X-RAY DIFFRACTION	33	B	198 - 205
34	X-RAY DIFFRACTION	34	B	206 - 234
35	X-RAY DIFFRACTION	35	B	235 - 243
36	X-RAY DIFFRACTION	36	B	244 - 256
37	X-RAY DIFFRACTION	37	B	257 - 260
38	X-RAY DIFFRACTION	38	B	261 - 275
39	X-RAY DIFFRACTION	39	B	276 - 280
40	X-RAY DIFFRACTION	40	B	281 - 293
41	X-RAY DIFFRACTION	41	C	1 - 11
42	X-RAY DIFFRACTION	42	C	12 - 17
43	X-RAY DIFFRACTION	43	C	18 - 23
44	X-RAY DIFFRACTION	44	C	24 - 31
45	X-RAY DIFFRACTION	45	C	32 - 49
46	X-RAY DIFFRACTION	46	C	50 - 68
47	X-RAY DIFFRACTION	47	C	69 - 74
48	X-RAY DIFFRACTION	48	C	75 - 105
49	X-RAY DIFFRACTION	49	C	106 - 118
50	X-RAY DIFFRACTION	50	C	119 - 124
51	X-RAY DIFFRACTION	51	C	125 - 132
52	X-RAY DIFFRACTION	52	C	133 - 140
53	X-RAY DIFFRACTION	53	C	141 - 166
54	X-RAY DIFFRACTION	54	C	167 - 199
55	X-RAY DIFFRACTION	55	C	200 - 233
56	X-RAY DIFFRACTION	56	C	234 - 248
57	X-RAY DIFFRACTION	57	C	249 - 261
58	X-RAY DIFFRACTION	58	C	262 - 275
59	X-RAY DIFFRACTION	59	C	276 - 280
60	X-RAY DIFFRACTION	60	C	281 - 293
61	X-RAY DIFFRACTION	61	D	1 - 14
62	X-RAY DIFFRACTION	62	D	15 - 23
63	X-RAY DIFFRACTION	63	D	24 - 34
64	X-RAY DIFFRACTION	64	D	35 - 64
65	X-RAY DIFFRACTION	65	D	65 - 68
66	X-RAY DIFFRACTION	66	D	69 - 74
67	X-RAY DIFFRACTION	67	D	75 - 95
68	X-RAY DIFFRACTION	68	D	96 - 115
69	X-RAY DIFFRACTION	69	D	116 - 124
70	X-RAY DIFFRACTION	70	D	125 - 136
71	X-RAY DIFFRACTION	71	D	137 - 148
72	X-RAY DIFFRACTION	72	D	149 - 197
73	X-RAY DIFFRACTION	73	D	198 - 205
74	X-RAY DIFFRACTION	74	D	206 - 234
75	X-RAY DIFFRACTION	75	D	235 - 243
76	X-RAY DIFFRACTION	76	D	244 - 258
77	X-RAY DIFFRACTION	77	D	259 - 263
78	X-RAY DIFFRACTION	78	D	264 - 273
79	X-RAY DIFFRACTION	79	D	274 - 280
80	X-RAY DIFFRACTION	80	D	281 - 293
81	X-RAY DIFFRACTION	81	E	1 - 11
82	X-RAY DIFFRACTION	82	E	12 - 17
83	X-RAY DIFFRACTION	83	E	18 - 31
84	X-RAY DIFFRACTION	84	E	32 - 64
85	X-RAY DIFFRACTION	85	E	65 - 69
86	X-RAY DIFFRACTION	86	E	70 - 75
87	X-RAY DIFFRACTION	87	E	76 - 105
88	X-RAY DIFFRACTION	88	E	106 - 117
89	X-RAY DIFFRACTION	89	E	118 - 128
90	X-RAY DIFFRACTION	90	E	129 - 141
91	X-RAY DIFFRACTION	91	E	142 - 164
92	X-RAY DIFFRACTION	92	E	165 - 178
93	X-RAY DIFFRACTION	93	E	179 - 199
94	X-RAY DIFFRACTION	94	E	200 - 212
95	X-RAY DIFFRACTION	95	E	213 - 234
96	X-RAY DIFFRACTION	96	E	235 - 242
97	X-RAY DIFFRACTION	97	E	243 - 260
98	X-RAY DIFFRACTION	98	E	261 - 275
99	X-RAY DIFFRACTION	99	E	276 - 280
100	X-RAY DIFFRACTION	100	E	281 - 293
101	X-RAY DIFFRACTION	101	F	1 - 7
102	X-RAY DIFFRACTION	102	F	8 - 17
103	X-RAY DIFFRACTION	103	F	18 - 24
104	X-RAY DIFFRACTION	104	F	25 - 32
105	X-RAY DIFFRACTION	105	F	33 - 64
106	X-RAY DIFFRACTION	106	F	65 - 68
107	X-RAY DIFFRACTION	107	F	69 - 74
108	X-RAY DIFFRACTION	108	F	75 - 106
109	X-RAY DIFFRACTION	109	F	107 - 117
110	X-RAY DIFFRACTION	110	F	118 - 127
111	X-RAY DIFFRACTION	111	F	128 - 145
112	X-RAY DIFFRACTION	112	F	146 - 196
113	X-RAY DIFFRACTION	113	F	197 - 206
114	X-RAY DIFFRACTION	114	F	207 - 234
115	X-RAY DIFFRACTION	115	F	235 - 240
116	X-RAY DIFFRACTION	116	F	241 - 259
117	X-RAY DIFFRACTION	117	F	260 - 264
118	X-RAY DIFFRACTION	118	F	265 - 279
119	X-RAY DIFFRACTION	119	F	280 - 283
120	X-RAY DIFFRACTION	120	F	284 - 293
121	X-RAY DIFFRACTION	121	G	1 - 14
122	X-RAY DIFFRACTION	122	G	15 - 25
123	X-RAY DIFFRACTION	123	G	26 - 32
124	X-RAY DIFFRACTION	124	G	33 - 64
125	X-RAY DIFFRACTION	125	G	65 - 68
126	X-RAY DIFFRACTION	126	G	69 - 74
127	X-RAY DIFFRACTION	127	G	75 - 92
128	X-RAY DIFFRACTION	128	G	93 - 115
129	X-RAY DIFFRACTION	129	G	116 - 123
130	X-RAY DIFFRACTION	130	G	124 - 136
131	X-RAY DIFFRACTION	131	G	137 - 146
132	X-RAY DIFFRACTION	132	G	147 - 167
133	X-RAY DIFFRACTION	133	G	168 - 196
134	X-RAY DIFFRACTION	134	G	197 - 203
135	X-RAY DIFFRACTION	135	G	204 - 234
136	X-RAY DIFFRACTION	136	G	235 - 243
137	X-RAY DIFFRACTION	137	G	244 - 253
138	X-RAY DIFFRACTION	138	G	254 - 279
139	X-RAY DIFFRACTION	139	G	280 - 283
140	X-RAY DIFFRACTION	140	G	284 - 293

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