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- PDB-3zp7: Arg90Cit chorismate mutase of Bacillus subtilis in complex with c... -

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Open data

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Basic information

Entry

Database: PDB / ID: 3zp7

Title

Arg90Cit chorismate mutase of Bacillus subtilis in complex with chorismate and prephenate

Components

CHORISMATE MUTASE AROH

Keywords

ISOMERASE / PSEUDO-ALPHA BETA-BARREL / NON-PROTEINOGENIC AMINO ACID / SEMI-SYNTHETIC / REACTION MECHANISM

Function / homology

Function and homology information

chorismate metabolic process / chorismate mutase / chorismate mutase activity / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / cytoplasm
Similarity search - Function

Biological species

BACILLUS SUBTILIS (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.698 Å

Authors

Burschowsky, D. / vanEerde, A. / Okvist, M. / Kienhofer, A. / Kast, P. / Hilvert, D. / Krengel, U.

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2014
Title: Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Authors: Burschowsky, D. / Van Eerde, A. / Okvist, M. / Kienhofer, A. / Kast, P. / Hilvert, D. / Krengel, U.

History

Deposition	Feb 26, 2013	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Apr 16, 2014	Provider: repository / Type: Initial release
Revision 1.1	Aug 13, 2014	Group: Atomic model / Derived calculations
Revision 1.2	Nov 26, 2014	Group: Database references
Revision 1.3	Dec 3, 2014	Group: Database references
Revision 1.4	Dec 10, 2014	Group: Database references
Revision 1.5	Dec 24, 2014	Group: Database references
Revision 2.0	Nov 15, 2023	Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Derived calculations / Other Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / struct_conn / struct_site Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_label_atom_id / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 2.1	Dec 20, 2023	Group: Refinement description / Category: pdbx_initial_refinement_model

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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	3zp7.cif.gz	319.5 KB	Display	PDBx/mmCIF format
PDB format	pdb3zp7.ent.gz	266 KB	Display	PDB format
PDBx/mmJSON format	3zp7.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	3zp7_validation.pdf.gz	510.5 KB	Display	wwPDB validaton report
Full document	3zp7_full_validation.pdf.gz	530.9 KB	Display
Data in XML	3zp7_validation.xml.gz	37.4 KB	Display
Data in CIF	3zp7_validation.cif.gz	51 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/zp/3zp7 ftp://data.pdbj.org/pub/pdb/validation_reports/zp/3zp7	HTTPS FTP

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Related structure data

Related structure data	3zo8C 3zopC 3zp4C 1dbfS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3zop-1 2cht-2 1xho-d 3zop-2 3zp4-2 1com-2 1com-1 3kjj-2 3k1u-d 5d4p-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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	#124 - Apr 2010 Concanavalin A and Circular Permutation similarity (5)

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Assembly

Deposited unit

A: CHORISMATE MUTASE AROH

B: CHORISMATE MUTASE AROH

C: CHORISMATE MUTASE AROH

D: CHORISMATE MUTASE AROH

E: CHORISMATE MUTASE AROH

F: CHORISMATE MUTASE AROH

hetero molecules

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

D: CHORISMATE MUTASE AROH

E: CHORISMATE MUTASE AROH

F: CHORISMATE MUTASE AROH

hetero molecules

defined by author&software
44.5 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: CHORISMATE MUTASE AROH

B: CHORISMATE MUTASE AROH

C: CHORISMATE MUTASE AROH

hetero molecules

defined by author&software
44.9 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	50.245, 51.307, 70.138
Angle α, β, γ (deg.)	97.51, 92.91, 101.11
Int Tables number	1
Space group name H-M	P1

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Components

#1: Protein	CHORISMATE MUTASE AROH / CHORISMATE MUTASE / CM Mass: 14521.919 Da / Num. of mol.: 6 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) BACILLUS SUBTILIS (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P19080, chorismate mutase
#2: Chemical	ChemComp-PRE / PREPHENIC ACID Mass: 226.183 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₁₀H₁₀O₆
#3: Chemical	ChemComp-ISJ / (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid / Chorismic Acid Mass: 226.183 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₁₀H₁₀O₆
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 563 / Source method: isolated from a natural source / Formula: H₂O
Nonpolymer details	CHORISMATE (ISJ): CHEBI ENTRY 29748 --- CHORISMATE IS MOSTLY DEPROTONATED AT THE PH THAT WAS USED, ...CHORISMATE (ISJ): CHEBI ENTRY 29748 --- CHORISMATE IS MOSTLY DEPROTONATED AT THE PH THAT WAS USED, BUT THE NAME CHORISMIC ACID, C10 H10 O6, COULD ALSO BE USED. PREPHENIC ACID (PRE): PREPHENIC ACID IS DEPROTONATED AT THE PH THAT WAS USED, AND SHOULD THEREFORE BE PRESENT AS PREPHENATE C10 H8 O6

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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: 2.28 Å³/Da / Density % sol: 46.13 % / Description: NONE
Crystal grow	pH: 6 Details: 100 MM MMT BUFFER ---MALIC ACID, MES, TRIS, IN MOLAR RATIOS OF 1:2:2, RESPECTIVELY--- PH 6.0, 125 MM CALCIUM CHLORIDE, 25% W/V PEG 1000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.8726
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 1, 2011
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.8726 Å / Relative weight: 1
Reflection	Resolution: 1.7→49.15 Å / Num. obs: 70311 / % possible obs: 93.7 % / Redundancy: 1.9 % / B_iso Wilson estimate: 15.27 Å² / R_merge(I) obs: 0.03 / Net I/σ(I): 15.5
Reflection shell	Resolution: 1.7→1.79 Å / Redundancy: 1.9 % / R_merge(I) obs: 0.17 / Mean I/σ(I) obs: 4.3 / % possible all: 92.8

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1DBF

1dbf

Resolution: 1.698→37.964 Å / SU ML: 0.23 / σ(F): 1.98 / Phase error: 20.14 / Stereochemistry target values: ML
Details: INITIAL REFINEMENTS WERE PERFORMED WITH REFMAC. FINAL REFINEMENT WAS PERFORMED WITH PHENIX.REFINE.

	R_factor	Num. reflection	% reflection
R_free	0.2185	3546	5 %
R_work	0.165	-	-
obs	0.1677	70310	93.74 %

Solvent computation

Shrinkage radii: 0.98 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 27.171 Å² / k_sol: 0.329 e/Å³

Displacement parameters

B_iso mean: 20.072 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.1879 Å²	-0.4823 Å²	-0.1339 Å²
2-	-	-0.1003 Å²	-0.503 Å²
3-	-	-	-0.0877 Å²

Refinement step

Cycle: LAST / Resolution: 1.698→37.964 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5592	0	160	563	6315

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	6019
X-RAY DIFFRACTION	f_angle_d	1.043	8180
X-RAY DIFFRACTION	f_dihedral_angle_d	17.352	2435
X-RAY DIFFRACTION	f_chiral_restr	0.07	975
X-RAY DIFFRACTION	f_plane_restr	0.005	1057

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 (%)
1.698-1.7213	0.3289	147	0.2607	2479	X-RAY DIFFRACTION	88
1.7213-1.7459	0.2815	143	0.229	2707	X-RAY DIFFRACTION	95
1.7459-1.7719	0.2911	148	0.227	2685	X-RAY DIFFRACTION	95
1.7719-1.7996	0.2897	144	0.2164	2707	X-RAY DIFFRACTION	95
1.7996-1.8291	0.2805	134	0.2026	2714	X-RAY DIFFRACTION	95
1.8291-1.8606	0.2333	142	0.182	2672	X-RAY DIFFRACTION	95
1.8606-1.8945	0.2516	129	0.1753	2695	X-RAY DIFFRACTION	93
1.8945-1.9309	0.2385	143	0.1701	2568	X-RAY DIFFRACTION	91
1.9309-1.9703	0.2314	152	0.1667	2653	X-RAY DIFFRACTION	93
1.9703-2.0132	0.2253	142	0.162	2702	X-RAY DIFFRACTION	94
2.0132-2.06	0.2191	153	0.1586	2674	X-RAY DIFFRACTION	94
2.06-2.1115	0.2331	138	0.1586	2550	X-RAY DIFFRACTION	90
2.1115-2.1686	0.2057	138	0.1647	2681	X-RAY DIFFRACTION	95
2.1686-2.2324	0.22	142	0.1614	2727	X-RAY DIFFRACTION	95
2.2324-2.3044	0.2188	131	0.159	2597	X-RAY DIFFRACTION	91
2.3044-2.3868	0.2084	136	0.161	2728	X-RAY DIFFRACTION	95
2.3868-2.4823	0.2074	132	0.1601	2730	X-RAY DIFFRACTION	96
2.4823-2.5953	0.2182	127	0.1663	2722	X-RAY DIFFRACTION	95
2.5953-2.7321	0.2194	152	0.1768	2635	X-RAY DIFFRACTION	94
2.7321-2.9032	0.243	157	0.1696	2722	X-RAY DIFFRACTION	95
2.9032-3.1273	0.2268	152	0.1843	2694	X-RAY DIFFRACTION	95
3.1273-3.4418	0.216	139	0.1701	2686	X-RAY DIFFRACTION	95
3.4418-3.9394	0.1974	154	0.1454	2646	X-RAY DIFFRACTION	93
3.9394-4.9614	0.1583	127	0.1221	2690	X-RAY DIFFRACTION	94
4.9614-37.9736	0.1927	144	0.1574	2700	X-RAY DIFFRACTION	95

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	7.9223	0.749	-2.0127	7.3789	-3.4277	6.1129	-0.0927	0.7122	-0.2812	-0.6591	-0.0202	0.5827	0.3179	-0.4976	0.0765	0.1023	0.0181	-0.0154	0.1201	-0.0206	0.1203	-2.4293	-3.7093	-0.9353
2	5.3445	1.2231	3.6479	1.1338	1.053	3.0351	-0.0487	0.056	0.0855	-0.0165	-0.0186	-0.0221	-0.3283	0.6183	0.0782	0.1058	-0.0137	0.0317	0.1978	-0.02	0.0333	5.1701	1.6273	17.4141
3	1.8263	-1.7485	-1.16	3.0218	0.0051	3.4367	-0.1002	-0.3163	-0.0226	0.533	0.146	0.0568	-0.014	-0.0449	-0.0468	0.2902	-0.0891	0.0021	0.3465	0.0711	0.0168	12.1939	-4.0469	28.3643
4	5.4197	-1.1541	-0.0247	7.0488	0.3735	6.0316	-0.0999	-0.5558	0.0075	0.7734	0.1558	0.3138	-0.0679	-0.2091	-0.0174	0.205	-0.0553	0.0408	0.2854	0.0458	0.0363	6.6753	-5.8229	24.0173
5	1.8974	0.3845	-0.6228	0.9739	-1.2383	2.9781	-0.0596	-0.365	-0.215	0.2144	0.0089	0.0905	0.0746	-0.0385	0.011	0.1935	-0.0999	0.1086	0.2295	0.0299	0.0879	-0.747	-6.4145	18.7839
6	8.1374	-1.231	2.1755	7.1574	-2.4144	7.2373	0.051	-0.6216	0.0828	0.7434	-0.0068	0.6221	-0.1642	-0.6129	-0.0564	0.124	-0.0256	0.0491	0.182	-0.0205	0.1177	-7.0041	-5.3558	12.0339
7	2.6582	-1.0015	-2.6801	4.081	-1.3092	5.6589	-0.0671	-0.0773	-0.342	-0.0932	-0.0681	0.4315	0.3126	-0.3199	0.0954	0.0732	-0.0334	0.0006	0.1026	0.0101	0.1041	-0.9117	-12.3525	4.6847
8	3.133	4.0695	3.6675	5.5312	4.8985	4.3661	0.213	-0.1805	-0.0039	0.3251	-0.2474	0.107	0.3532	-0.4143	0.0538	0.1039	-0.0202	0.0239	0.1241	-0.0054	0.0596	9.1616	-4.9738	10.7705
9	1.3728	0.4126	2.0992	6.501	-3.7144	6.1715	0.0335	-0.4425	0.0228	0.2008	-0.2799	-0.4093	0.0483	0.1641	0.2358	0.0781	-0.018	-0.0058	0.1448	0.0255	0.0962	17.6737	0.6121	20.6256
10	5.2514	-0.0867	3.2286	0.1618	0.3514	3.0075	0.2004	-0.3135	-0.3722	0.0917	-0.0454	-0.0131	0.3531	-0.1004	-0.1529	0.1793	-0.0233	-0.0271	0.2197	0.0825	0.1211	12.7328	-9.9473	18.695
11	4.5451	3.8007	1.838	6.4779	4.576	7.2098	0.1849	-0.6161	-0.6191	0.7089	-0.3004	-0.4258	0.4568	0.4373	0.1484	0.2279	-0.103	-0.0503	0.2408	0.1172	0.2271	3.7491	-15.9039	16.4131
12	4.0874	-0.6206	-0.7182	1.7608	-0.7646	3.208	0.0296	-0.1919	-0.5412	0.249	-0.0873	0.122	0.5498	-0.0409	-0.0429	0.2034	-0.0198	0.0057	0.0749	0.0623	0.1877	3.448	-17.6993	9.5436
13	8.5548	1.3011	7.922	1.8201	1.2733	7.927	-0.4873	0.2968	0.1187	-0.4893	0.3078	-0.0104	-0.4042	0.2998	0.0733	0.1046	-0.0069	0.0193	0.1021	-0.0109	0.0977	12.7981	-7.3266	8.8487
14	0.5946	-0.0497	-0.0397	3.9016	4.2929	4.79	0.0047	-0.0566	0.0879	0.2381	0.1093	-0.276	0.0148	-0.0278	-0.1061	0.1078	0.0249	-0.0024	0.0796	0.0305	0.0718	16.785	8.2419	14.3225
15	1.4104	-0.8802	2.0583	3.2891	-0.3116	3.3496	-0.0618	-0.1658	0.1009	0.3383	0.1248	-0.4272	-0.445	0.5324	-0.0135	0.1304	-0.0329	-0.0104	0.2261	-0.0182	0.0602	11.2246	4.5617	20.6318
16	6.7706	3.0904	6.6619	5.2419	2.0436	8.5274	0.0513	-0.0592	-0.1384	0.0423	-0.075	0.0129	-0.0527	-0.1012	0.0097	0.0721	0.0239	0.0274	0.1018	0.0008	0.0604	0.7039	-5.4407	4.2755
17	7.4139	5.7245	-1.1133	7.5897	-0.1827	4.0142	0.0961	0.2924	0.3775	-0.4813	-0.0211	0.8249	-0.1774	-0.3195	-0.0665	0.0889	0.0332	-0.0256	0.163	0.0052	0.1567	-7.945	1.0988	0.0737
18	2.8503	-1.7124	2.2654	2.6374	-0.58	4.4939	-0.0444	-0.2048	-0.2385	0.1313	0.1134	0.3868	-0.0509	-0.3976	-0.0795	0.0274	0.0036	0.0617	0.228	-0.0814	0.1822	-5.8325	1.9095	8.6777
19	7.3265	1.1796	-1.5091	6.6559	0.732	6.3858	0.1127	-0.232	0.1379	0.0824	-0.064	-0.1066	-0.152	0.2111	-0.034	0.1474	-0.0299	0.0755	0.2004	-0.0672	0.0743	1.8281	4.6973	20.4194
20	9.2395	0.3774	-0.1142	7.4964	-0.6851	0.0634	0.1671	1.0137	0.1905	-0.9467	-0.4016	0.1941	-0.2059	-0.5031	0.2031	0.38	0.0743	0.108	0.3208	-0.0515	0.2249	0.0568	9.8948	15.8936
21	8.3025	-2.4925	2.134	3.5865	-2.3713	2.6838	-0.1372	0.0021	0.0342	-0.1156	0.1527	-0.1644	-0.0019	-0.1684	-0.027	0.0654	0.0038	0.0161	0.0546	-0.015	0.0638	6.0704	-13.7585	-2.5886
22	3.7557	3.2204	-0.607	3.6276	-0.0424	2.0188	0.0711	-0.1898	-0.2628	0.2619	-0.149	-0.5081	0.0475	0.3202	-0.0077	0.0902	0.0277	-0.0578	0.1007	0.0583	0.3048	30.6772	-14.6946	7.5176
23	4.9653	0.7364	0.743	4.0696	1.712	7.4262	-0.0626	0.1842	-0.4239	-0.0706	-0.0597	-0.1002	0.5485	0.4469	0.1675	0.0546	0.0533	0.0033	0.0893	-0.0332	0.2352	34.1593	-9.6128	1.5352
24	2.0115	0.3928	0.2966	5.1407	-0.6718	7.1593	0.0603	0.2679	-0.2401	-0.2053	-0.1003	-0.6483	0.8049	0.6752	0.0134	0.1344	0.0722	0.0439	0.1156	-0.0823	0.2839	28.6006	-15.5668	-1.797
25	5.8587	1.5384	-0.386	4.6653	0.6785	8.025	0.0336	0.0626	-0.4166	-0.2587	0.0957	-0.4123	0.4236	0.3536	-0.0654	0.0977	0.0122	0.0001	0.0806	-0.0548	0.2376	20.6599	-18.1592	-3.9877
26	2.1339	-0.2947	0.3463	5.9122	-2.3668	3.7674	0.0415	0.1424	-0.395	-0.1859	-0.0125	-0.1574	0.9539	0.0819	-0.0996	0.2359	0.0096	0.0056	0.0689	-0.1426	0.2691	14.851	-22.0087	-6.5703
27	3.7778	-0.4162	-0.2392	3.0033	-1.6725	4.0403	0.1511	0.2942	-0.2536	-0.4711	-0.0378	-0.0422	0.323	0.0863	-0.0577	0.1317	-0.0311	0.0241	0.1187	-0.1011	0.0883	12.1512	-12.6917	-12.4628
28	3.987	1.1207	5.7672	0.6169	1.6336	8.343	0.227	0.3217	-0.3815	0.144	0.0909	-0.1843	0.3414	0.2711	-0.2611	0.1029	0.006	0.0117	0.06	-0.0194	0.1168	15.3742	-6.4316	-2.08
29	3.0105	1.8391	0.0101	4.4363	2.5976	3.2411	0.1224	-0.329	-0.2802	0.1036	0.1067	-0.2073	0.114	0.0355	-0.2243	0.083	-0.0013	-0.0092	0.0764	0.0395	0.0979	26.4848	-5.8595	10.0256
30	4.563	0.7011	6.387	2.1823	-0.0494	9.5447	-0.1196	-0.1567	0.2106	0.0712	0.1296	0.028	-0.3562	-0.2849	-0.0224	0.0934	0.0317	0.0121	0.1172	-0.0356	0.1847	28.9288	-3.2424	2.0662
31	5.4123	4.882	4.0059	4.5645	3.9945	3.8697	-0.1524	1.3694	0.5642	-1.3045	0.3198	-0.9723	-0.5765	0.9546	-0.1467	0.2486	-0.004	0.0584	0.3171	-0.0055	0.2605	26.8882	-7.3987	-7.7636
32	5.5382	-2.2791	-2.1157	1.8335	1.4733	4.4622	0.1568	0.3225	0.0495	-0.3175	-0.1296	-0.1772	0.1085	0.2833	0.1229	0.2547	-0.0342	0.1147	0.2566	-0.0786	0.0937	20.355	-8.9644	-13.4714
33	6.7933	3.2895	5.4984	1.9625	2.6432	4.4509	0.0061	-0.2266	0.0119	0.0831	-0.0685	-0.0091	-0.2444	-0.2654	0.0894	0.1097	0.0148	0.0069	0.0497	0.0118	0.0638	18.2809	-2.8264	-1.3876
34	2.25	-4.302	3.0454	8.2286	-5.8223	4.1212	0.0527	-0.3969	-0.122	0.4739	-0.3568	-0.256	-0.232	0.5193	0.2759	0.1801	-0.0399	-0.0092	0.1676	0.0614	0.0947	21.2414	-5.5632	16.268
35	5.3464	0.4134	-4.2755	4.3347	-0.913	3.498	0.0261	-0.4267	-0.1287	0.5246	0.1133	-0.1218	0.1696	0.2994	-0.1172	0.1481	-0.0021	-0.0557	0.1099	0.0485	0.1884	26.1252	-11.8194	12.057
36	4.1568	-1.6839	5.293	1.8942	-1.4482	7.1393	0.2198	0.005	-0.4586	-0.0296	-0.0172	-0.0947	0.3493	-0.0834	-0.1948	0.0532	-0.0042	-0.0052	0.0731	-0.001	0.133	13.2032	-11.2381	-1.1684
37	2.7196	0.6078	1.2203	4.6116	1.7087	8.2457	-0.0587	0.1289	-0.3658	-0.1681	0.1056	0.2208	0.7196	-0.2794	-0.0334	0.0728	-0.0108	0.0032	0.0722	-0.0186	0.1703	3.0854	-18.2425	-4.9899
38	4.5135	2.5977	0.6824	3.19	0.1743	1.2302	-0.0037	0.1303	-0.4503	-0.1658	0.0732	-0.0927	0.3345	0.0008	0.0479	0.1623	-0.0333	0.0343	-0.0048	-0.0528	0.3642	8.4649	-22.4807	1.0662
39	2.7125	-1.2984	1.202	5.2694	-0.8125	3.8356	-0.1037	-0.1008	0.1702	0.2221	0.0609	-0.3034	-0.0946	0.088	0.0996	0.0823	0.0383	-0.0674	0.0425	0.0344	0.264	22.9899	-19.8013	6.9392
40	7.6791	1.0558	-7.4736	0.4369	-0.3745	8.923	-0.3532	0.4532	-0.7778	0.125	0.2907	1.2281	1.0231	-0.9982	0.0768	0.3639	-0.1352	-0.0369	0.2672	0.1542	0.5117	18.1694	-21.598	11.4587
41	6.3923	5.7183	0.2711	7.5616	1.6684	4.8555	-0.0896	0.1253	-0.0013	-0.0667	-0.0401	0.244	0.078	-0.3376	0.141	0.0835	0.0026	-0.0019	0.0884	0.0173	0.0809	9.0574	-1.0454	-8.5443
42	3.1334	-1.8822	-0.9137	2.0567	2.0821	5.1108	-0.0156	0.0103	0.6578	-0.149	0.1133	-0.3227	-0.6816	0.4213	-0.0348	0.196	-0.0463	-0.0082	0.0739	0.0337	0.1678	23.2696	17.5006	2.2306
43	3.6537	-2.9773	0.7654	6.7616	2.003	3.0169	0.1129	0.0526	0.5858	0.326	-0.0687	-0.045	-0.4169	0.0334	-0.0548	0.2244	0.0066	-0.0255	0.0631	0.02	0.1651	16.481	20.0427	5.2061
44	2.0547	-0.3698	-0.6896	5.4564	0.2819	3.5758	0.0223	0.2613	0.7474	-0.2067	-0.0109	-0.0014	-0.8011	-0.0129	0.024	0.1666	0.0297	-0.0202	0.0569	0.0548	0.1599	14.2448	18.0091	-2.3191
45	4.0932	-0.1187	1.9165	4.517	0.164	2.782	-0.078	0.1744	0.2329	-0.2038	0.0592	0.1199	-0.2404	-0.1116	-0.0809	0.1578	0.0301	0.0037	0.0723	0.0898	0.0912	10.5555	12.5557	-7.9175
46	5.4163	-3.8555	2.1682	4.5745	-0.774	3.8347	0.0089	0.6379	0.5483	-0.3917	-0.1673	-0.2081	-0.6746	0.2836	0.2519	0.2287	-0.0174	-0.0692	0.2204	0.0995	0.1086	7.3082	9.4816	-13.7724
47	6.0239	0.7883	-1.6307	5.2455	2.2879	1.6583	0.0147	0.357	0.1755	-0.5936	0.0154	0.5243	-0.2293	-0.4053	0.0258	0.1494	0.0616	-0.064	0.2016	0.0749	0.138	-0.9708	5.6192	-6.8907
48	7.3247	3.0943	3.4293	1.4853	1.1355	2.1568	-0.0827	0.0669	0.178	0.0473	-0.0196	0.0415	-0.0885	0.1769	0.073	0.1197	0.0189	-0.0146	0.0664	0.0557	0.0638	8.0567	3.1007	0.6806
49	7.7854	-0.8139	-1.3312	7.5758	-0.773	0.8333	-0.13	-0.2103	0.0558	0.1907	0.1162	-0.1566	-0.0883	0.1298	-0.0049	0.0709	-0.0027	0.0167	0.0598	0.0114	0.0448	22.7041	9.0655	7.0084
50	8.839	2.1729	4.6647	2.3207	2.3494	3.3034	-0.0086	-0.296	-0.1412	0.2031	-0.0022	0.069	0.2179	-0.0685	-0.0615	0.2009	0.0088	0.0009	0.0658	0.0256	0.0858	15.2217	12.7543	9.5057
51	3.2839	1.4401	3.945	1.0508	0.6697	7.4193	-0.437	-0.7796	0.9451	0.4859	0.111	0.5273	-0.9817	-1.2424	0.3806	0.2337	0.0687	0.0057	0.225	-0.0351	0.2743	6.3344	15.661	4.0565
52	1.0094	-0.1897	-0.8203	5.7127	-2.8296	5.19	-0.0324	0.1599	0.4072	0.1566	-0.0952	0.2809	-0.4118	-0.3579	0.0913	0.0997	0.0332	-0.0167	0.1127	0.0137	0.2107	0.078	10.7333	0.0601
53	5.1788	-3.6956	4.5732	3.7117	-3.4987	4.0886	0.0419	-0.2789	-0.11	0.0708	0.1088	0.0632	-0.069	-0.0879	-0.1233	0.1168	0.0067	0.0104	0.1206	-0.0006	0.0894	13.5167	3.7579	7.3769
54	5.4947	-2.1274	-0.7911	2.4873	0.1893	0.611	-0.0983	-0.1426	0.0009	0.0702	0.0346	-0.1616	0.0908	0.1184	0.0556	0.1357	0.0993	0.0253	0.0788	0.0734	0.1312	28.5534	2.2824	4.712
55	1.7806	3.0907	0.5813	7.5158	1.3023	5.5068	-0.0063	-0.1419	-0.1316	0.2062	-0.0361	-0.3023	0.0703	0.2531	-0.021	0.0765	0.0109	-0.004	0.0605	0.0297	0.0607	22.9321	8.9561	0.8589
56	6.8101	0.5795	4.0647	2.4673	1.8112	3.5307	0.062	-0.0707	-0.1657	-0.3134	0.0054	0.3451	0.2431	-0.2916	-0.0223	0.1202	-0.0129	-0.0235	0.0844	0.025	0.0948	6.223	0.7414	-6.7522
57	3.6417	-3.037	3.6861	7.4658	-3.7394	6.2163	0.0573	0.7981	-0.5239	-0.9089	-0.2507	0.4137	0.4148	-0.4075	0.1646	0.2547	-0.0556	0.0024	0.3346	-0.0925	0.1409	9.0113	-3.2866	-16.7854
58	4.8405	1.4144	1.3786	4.6848	3.653	3.5533	-0.1355	0.7233	0.2692	-0.6954	-0.1025	0.241	-0.1872	0.1137	0.1711	0.2307	-0.0245	-0.0043	0.1693	0.0298	0.0614	13.4961	3.9624	-14.4829
59	8.0953	1.0628	1.1459	4.0918	-2.4488	8.0815	0.0192	0.0178	0.1224	0.09	-0.1074	-0.1368	-0.1942	0.2188	0.1095	0.1419	-0.0037	0.038	0.0738	0.0527	0.089	22.738	12.1325	-7.0934
60	8.6289	0.7931	0.0287	3.336	-3.7159	4.2376	-0.2025	1.0986	-1.0089	-1.4337	0.2965	-0.183	0.981	-0.4759	-0.0568	0.3684	-0.1053	0.0602	0.2635	-0.0551	0.2259	25.3923	5.0239	-10.0586
61	5.3206	-0.6934	-1.3429	3.9146	-1.8271	3.1658	0.1562	-0.4901	0.5226	0.4816	0.0666	-0.4047	-0.3961	0.4011	-0.0808	0.0856	-0.0195	0.0165	0.1203	-0.0295	0.128	45.711	21.151	41.8442
62	1.9592	2.6211	3.1746	3.5053	4.246	5.1443	-0.207	0.298	-0.1225	-0.4043	-0.0477	0.3127	-0.1074	-0.0289	0.2564	0.1123	0.0259	0.0159	0.1616	-0.0748	0.161	38.1801	9.052	28.5286
63	2.5275	1.1018	-0.8995	2.9996	-0.916	1.0987	-0.0803	0.326	-0.3994	-0.2547	0.1055	-0.13	0.6936	0.0128	0.0148	0.2749	-0.0095	0.0193	0.1174	-0.1614	0.3191	30.586	-4.3532	27.1632
64	0.953	0.4064	0.0187	1.3912	-1.2654	1.3321	-0.0832	0.1552	-0.3838	-0.2876	-0.0765	-0.0817	0.6282	0.1416	0.1355	0.226	0.1006	-0.0072	0.1073	-0.1556	0.3535	35.4769	-3.7441	31.3576
65	2.1749	-0.4021	-0.1613	2.5754	0.6881	2.1402	-0.0301	0.1006	-0.2898	-0.0838	-0.0006	-0.0625	0.2922	0.1244	0.0278	0.1346	0.0808	0.0466	0.0542	-0.0927	0.2165	41.1333	0.9834	32.4674
66	2.1867	1.0736	1.7065	4.7496	-0.393	7.7601	-0.088	0.0023	-0.3676	-0.1207	-0.016	-0.3417	0.4228	0.4094	0.1169	0.1132	0.0467	-0.0116	0.1098	-0.0469	0.1674	46.0445	5.4257	36.1531
67	8.2506	-1.383	-1.8127	4.6544	-2.7453	6.064	0.0288	0.3016	-0.4471	-0.2585	-0.146	-0.2481	0.3691	0.3159	0.08	0.0564	0.0771	-0.0194	0.1353	-0.0252	0.1772	51.1649	9.5252	37.6829
68	1.6973	-0.1323	-2.2805	5.2512	1.4798	4.7399	-0.0365	-0.1921	-0.0782	0.3051	-0.035	-0.3519	0.1143	0.379	0.0442	0.0622	0.0138	-0.0076	0.0583	0.0276	0.0875	43.5798	12.2453	47.2213
69	6.2046	3.0226	4.9465	2.0297	2.2512	3.9926	0.015	0.2951	-0.1889	0.0461	0.2095	-0.0572	0.1979	0.2261	-0.1738	0.0901	0.0214	0.0096	0.1217	-0.038	0.108	31.479	8.9179	33.5889
70	7.938	4.539	5.0292	2.9478	2.5984	8.1834	0.1226	-0.1469	-0.3394	0.1481	-0.1008	0.0752	0.2949	-0.3293	-0.0462	0.0998	0.0074	0.0131	0.1011	-0.0487	0.1817	28.3698	1.2824	35.0924
71	5.8769	-2.6109	2.51	4.0176	1.1013	4.6882	0.106	-0.1326	-1.8611	0.373	-0.1318	0.7716	1.3894	-0.7539	-0.0004	0.2721	-0.0598	-0.0358	0.2023	0.0119	0.3705	37.965	-0.4094	42.4172
72	2.8402	-0.3351	-1.8128	2.6265	0.8585	2.5431	-0.0847	-0.3582	-0.5701	0.2044	0.0139	0.0303	0.3793	0.2671	0.1704	0.2253	0.0336	-0.0502	0.055	0.071	0.1712	41.0499	3.6652	48.9284
73	7.9746	0.3705	8.5843	0.0259	0.3905	9.3643	-0.3997	0.1087	0.2397	-0.0597	0.0909	-0.0458	-0.4033	-0.0968	0.3487	0.086	0.0011	-0.0038	0.1183	0.0038	0.093	31.4685	10.4378	41.1595
74	0.0293	-0.0431	0.2765	1.2196	-2.5199	6.4768	0.0982	0.3318	0.0543	-0.2483	0.0872	-0.0366	0.2609	-0.2995	-0.1696	0.1713	0.0273	0.0391	0.2265	-0	0.0801	26.4761	13.6846	23.929
75	3.7378	0.0644	-2.941	9.1535	-4.4407	8.0264	0.1349	0.6162	-0.258	-0.6064	0.0688	0.506	0.2123	-0.2347	-0.1936	0.1312	-0.0318	-0.0086	0.1977	-0.0868	0.1326	31.962	6.5167	24.0436
76	7.8508	2.6126	6.489	3.6434	3.7669	8.9173	0.0255	0.2387	-0.102	-0.1467	-0.0145	-0.2532	0.072	0.1374	-0.0261	0.0618	0.003	0.0235	0.0673	-0.0009	0.09	40.1106	14.0526	38.5923
77	4.2357	-0.0767	0.5186	4.1508	-2.7885	7.7493	-0.0063	0.0683	0.3307	0.1152	-0.0863	-0.3072	-0.3727	0.5286	0.0827	0.0615	-0.0054	0.0072	0.0944	0.009	0.1391	50.2514	21.555	39.5878
78	3.1011	2.9644	3.461	5.5394	3.5768	3.889	-0.0024	0.4814	-0.3001	-0.2107	0.1206	-0.6842	0.0848	0.3237	-0.0433	0.0584	0.0057	0.0401	0.2191	-0.0533	0.1671	49.0199	15.6332	32.2578
79	2.6736	-2.179	-2.2112	3.4022	1.3921	4.7759	0.0293	0.1331	-0.0972	-0.0413	-0.1074	0.16	-0.0124	-0.1567	0.039	0.1369	0.0708	0.0471	0.2422	-0.1263	0.1326	41.3772	6.713	24.056
80	5.8522	-3.5116	-3.7034	8.0536	4.345	5.7812	0.2158	-0.8687	0.784	-0.0459	0.4769	-0.4855	-1.4345	0.952	-0.7162	0.4188	0.0259	0.1251	0.4039	-0.1077	0.218	43.2116	13.1622	21.7457
81	6.3732	3.4817	2.6069	4.8914	0.5072	4.0548	0.1143	-0.4048	0.1826	0.2519	-0.0695	-0.1156	-0.2391	0.0734	-0.0336	0.0861	0.0095	-0.0045	0.0989	-0.0263	0.094	40.8279	20.0295	52.2846
82	7.892	6.9452	4.6424	6.2206	3.9926	2.8104	-0.1691	0.1465	-0.083	-0.1772	0.2185	0.0493	-0.0831	-0.0291	-0.0229	0.0663	-0.0065	0.0041	0.1198	0.06	0.0632	22.4219	10.5076	48.7677
83	7.7589	3.193	-2.0641	5.1717	-1.2264	3.1113	-0.0047	-0.6697	-0.3656	0.2865	0.0302	0.4853	0.1305	-0.106	0.0575	-0.0011	0.0278	0.002	0.2492	0.0765	0.2043	7.3666	13.0346	45.2537
84	6.4693	-0.1299	5.4766	5.6664	4.4336	8.2806	0.1346	-0.7449	-0.2731	0.6631	-0.0963	0.6195	0.2676	-0.6405	-0.0194	0.1036	-0.0345	0.0277	0.2075	0.0052	0.1068	11.3002	14.756	49.2759
85	5.2138	1.2745	1.5937	3.6167	-0.1388	4.3366	-0.0496	-0.3116	0.065	0.3426	-0.0845	0.3875	-0.1533	-0.3376	0.0755	0.1142	0.0308	0.0529	0.19	-0.008	0.0764	20.4524	16.7931	55.0305
86	1.9016	-0.4022	-2.6838	4.3992	1.1997	4.9893	0.1598	-0.6543	-0.0006	1.0852	-0.0418	0.3556	0.1488	-0.3325	-0.0721	0.2162	0.0059	0.0398	0.2849	0.0326	0.0605	28.0633	15.7975	61.0873
87	2.4169	0.2125	-1.7291	4.4349	-1.1458	1.4608	0.229	-0.3669	0.2714	0.4046	-0.1842	0.1244	-0.4262	-0.0083	-0.0593	0.181	0.0455	-0.0443	0.1647	-0.0978	0.0783	30.8609	26.0917	55.6201
88	6.9251	2.6748	5.7505	4.001	5.2143	7.7959	0.2011	-0.1368	0.1094	0.1915	-0.2221	0.1717	0.1931	-0.2883	0.0106	0.06	0.0113	0.0164	0.0868	-0.0129	0.0518	28.4591	21.1176	44.8161
89	5.8713	-0.3806	-3.2463	7.7657	1.5415	2.0243	0.2681	0.285	-0.2934	-0.1731	-0.2774	0.1193	0.183	-0.272	0.0062	0.1215	0.0006	-0.004	0.0987	0.0046	0.0666	15.7761	11.1961	37.8182
90	6.0712	3.7851	6.4807	2.7752	3.7576	7.1742	-0.1292	0.0622	0.5822	-0.1562	-0.1607	0.3303	-0.4415	-0.2843	0.2608	0.0975	0.0359	0.0027	0.145	0.0141	0.122	14.7921	20.9622	42.1334
91	4.533	4.1337	4.0822	4.7226	5.227	6.0512	0.0972	-0.2338	1.3393	-0.1692	-0.0694	0.6068	-0.8623	-0.8448	-0.0236	0.166	0.0545	0.0048	0.2888	-0.0655	0.2684	17.7413	25.5416	50.5802
92	2.8325	0.5081	-1.3226	1.836	-1.301	1.3437	0.2219	-0.0941	0.2811	0.3148	0.0003	0.3715	-0.398	-0.0361	-0.2711	0.2404	0.1375	0.0241	0.1665	-0.1579	0.2123	23.5396	30.2656	52.4388
93	7.3105	5.1803	5.2305	4.0098	3.9169	3.9848	-0.0728	0.1629	-0.0041	-0.3701	0.2112	-0.2463	-0.2599	-0.0459	-0.2019	0.1373	0.0344	0.0108	0.0845	0.0238	0.0768	24.909	22.0118	41.3071
94	2.2652	-1.2058	-0.7938	2.0932	2.4049	3.1132	0.11	0.2227	-0.3381	-0.4224	-0.304	0.6552	0.3144	0.0233	0.1697	0.1566	0.0134	-0.0131	0.1281	-0.034	0.1736	21.7546	5.9459	35.0622
95	6.513	0.3403	-1.2306	7.1975	0.8601	4.3896	0.1135	0.0159	-0.2446	-0.0994	-0.1166	0.0979	0.418	-0.1896	-0.0117	0.0851	-0.0131	-0.0214	0.0841	0.0256	0.0614	19.1516	7.4801	43.2931
96	3.4385	-0.717	1.5087	0.2887	-0.9844	3.8761	-0.1391	-0.0752	0.2423	0.0797	-0.0525	0.0725	-0.1362	-0.2384	0.1757	0.0517	0.0154	0.0066	0.0678	-0.0017	0.0826	33.7405	19.8502	50.8601
97	1.3033	1.3998	0.4762	3.0425	2.9143	3.9252	0.0156	-0.4184	-0.2169	0.4192	0.0854	-0.3829	0.2585	0.0314	-0.0718	0.1213	0.0426	-0.0524	0.1698	0.0362	0.1176	40.8132	14.1703	57.1857
98	2.1284	0.6622	0.2238	1.0474	0.5282	0.2744	0.0436	-0.4723	-0.1951	0.364	-0.0267	-0.0695	0.0578	-0.0365	-0.0875	0.155	-0.0076	-0.0185	0.2619	0.108	0.0333	32.1593	10.704	56.824
99	2.3597	-1.2452	-1.4838	6.9571	0.2097	8.9626	-0.0076	-0.0419	-0.0467	-0.0055	0.0214	0.201	0.1246	-0.2189	-0.0083	0.0903	-0.0496	0.0401	0.127	0.0718	0.0728	19.4993	5.7646	51.8106
100	5.5941	-4.9267	-5.3545	6.7765	4.4303	6.0954	-0.0283	-0.9192	-0.0427	0.8108	-0.3702	-1.4238	0.2078	1.1722	0.4145	0.2277	-0.0247	-0.0394	0.2928	0.1317	0.3183	25.1452	1.6095	51.4787
101	7.6035	-1.3144	4.359	3.2839	-1.1293	7.8098	-0.2126	-0.0392	0.2349	0.558	0.0693	-0.7177	-0.2934	0.7572	0.1714	0.1476	0.0171	-0.0709	0.1337	-0.0138	0.2097	37.7448	28.7365	46.4199
102	3.865	2.6261	1.5263	2.8851	2.1414	1.7102	0.3918	-0.2452	-0.346	0.03	0.0275	0.046	0.2135	-0.4575	-0.4091	0.1531	0.0239	-0.0894	0.103	0.0928	0.1744	24.3837	29.6722	33.8457
103	6.9015	-4.5202	-4.7339	3.2462	3.8378	8.4944	0.0594	0.8986	0.7724	-0.8473	-0.2898	0.3175	-0.7668	-0.6505	0.1998	0.2478	0.028	-0.0852	0.2919	0.046	0.2274	20.0655	27.5317	18.9104
104	1.2109	-0.1103	0.4921	1.9635	2.5242	5.3865	0.071	0.8019	0.6727	-1.0059	-0.0728	-0.1622	-0.6181	-0.0048	0.0632	0.2483	0.0095	-0.0262	0.2701	0.1178	0.1913	26.7154	27.9675	18.4525
105	3.6381	1.2508	-1.8402	6.4371	2.1315	5.5537	0.1237	0.473	0.4295	-0.612	-0.2035	-0.0597	-0.7467	-0.1472	0.1082	0.2227	0.01	-0.0648	0.1958	0.1422	0.2461	29.0693	32.9359	23.5444
106	2.3402	0.5822	0.1387	5.1129	-0.9446	4.1616	-0.0095	0.0883	0.1713	-0.18	-0.0578	-0.0936	-0.2992	0.0624	-0.0163	0.1758	-0.0244	-0.0552	0.0821	0.1386	0.2133	32.6953	35.133	31.0765
107	6.7011	0.3524	-5.6382	3.5389	0.577	6.6415	0.0917	0.266	0.7403	-0.4523	0.0169	0.4244	-0.7741	-0.1582	-0.1728	0.2674	-0.0418	-0.0626	0.0756	0.0583	0.3019	35.79	38.8755	36.5579
108	6.4858	-1.0916	-1.427	0.1841	0.2873	5.3356	0.2105	-0.1076	0.371	0.2857	-0.1537	-0.6092	-0.6517	0.5176	-0.0616	0.1325	-0.0478	-0.0287	0.1025	0.0518	0.2106	44.1278	30.9293	36.5514
109	3.8885	2.8727	4.5248	2.1264	3.3827	5.8021	-0.2582	0.1019	0.4295	-0.1018	-0.0745	0.1848	-0.1494	-0.1429	0.1762	0.0894	-0.0018	-0.0081	0.0707	0.0476	0.0832	34.031	22.9473	34.7288
110	4.6443	3.916	-6.4339	3.3033	-5.4258	8.9131	-0.2223	0.5765	-0.2215	-0.5146	0.0936	-0.0506	0.3756	-0.367	0.1552	0.1133	0.011	-0.0078	0.1757	-0.0175	0.0897	20.1864	19.5224	24.9784
111	5.4515	5.009	5.1584	7.3279	2.5943	6.5724	-0.2435	0.6595	-0.0695	-0.2788	0.0292	-0.3816	0.1852	0.3476	0.2159	0.1586	0.0301	0.0221	0.2677	0.0035	0.1167	30.8923	21.3937	22.3726
112	5.6152	5.5915	2.5292	7.8001	0.1491	3.6548	-0.1294	1.4585	-0.0925	-0.9302	-0.0113	-0.7954	0.054	1.286	0.1614	0.1941	0.0215	-0.0056	0.4343	0.0682	0.2121	37.8847	27.9486	23.3408
113	2.7848	0.0248	-1.6174	2.5463	-0.9823	3.3174	-0.0648	0.3259	0.2897	-0.4404	0.0866	-0.3179	-0.0161	0.0969	-0.0386	0.0852	-0.0478	0.0626	0.2736	0.1617	0.1935	44.0156	27.5137	28.7029
114	6.9339	3.7723	4.0994	3.5229	3.2471	3.7058	0.0677	-0.0776	-0.1375	0.1306	-0.2021	0.0974	0.2963	-0.2107	0.1108	0.1142	0.0267	0.0288	0.1091	-0.0107	0.0881	33.0857	18.7222	31.7632
115	9.2538	-4.132	-6.0461	4.4252	1.842	7.963	-0.1744	0.3724	-0.1824	0.0962	0.1717	0.4893	0.1801	-0.2181	0.0195	0.0955	-0.0242	0.0076	0.1391	0.0421	0.1269	15.9207	18.5584	33.4788
116	5.9522	-2.4064	6.9829	3.4331	-2.4537	8.2551	-0.1406	-0.2246	0.2571	-0.1045	-0.0542	0.2209	-0.0072	-0.2997	0.2044	0.0833	0.0084	0.0027	0.142	0.0044	0.1049	21.7583	25.7568	31.2158
117	5.8242	-0.1255	-3.631	4.8696	1.337	3.1661	-0.0543	-0.6966	0.6167	0.4223	0.1754	-0.3156	-0.5064	0.2611	-0.0836	0.2062	0.0257	-0.0921	0.1144	-0.0305	0.1787	36.3234	32.3612	45.3157
118	3.0641	0.7407	0.5669	0.9604	-0.4313	1.5956	0.031	-0.0934	0.5763	0.0823	0.0059	-0.0316	-0.7871	0.0141	-0.0556	0.2572	0.0222	-0.0533	0.042	-0.0364	0.2895	29.6448	36.7914	41.7989
119	6.4728	1.9293	-2.6011	9.0781	1.0914	3.5686	0.04	0.11	-0.1378	-0.0956	0.015	0.2712	0.0916	-0.2166	-0.0951	0.1594	0.0374	-0.0658	0.1521	0.0853	0.2811	20.5048	34.3389	30.9863
120	5.7973	1.3331	-4.9495	3.881	-2.9674	5.1615	-0.0614	-1.1597	0.7345	1.1927	-0.1244	-0.4831	-1.1554	0.3787	0.161	0.4251	0.0702	-0.0634	0.3065	-0.0841	0.4278	18.1977	34.4613	37.7297

Refinement TLS group

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

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Yorodumi