PDB-3lee: Crystal structure of the human squalene synthase complexed with B...

Basic information

• Entry: Database: PDB / ID: 3lee
• Title: Crystal structure of the human squalene synthase complexed with BPH-652
• Components: Squalene synthetase
• Keywords: TRANSFERASE / isoprenoid synthase fold / Cholesterol biosynthesis / Endoplasmic reticulum / Isoprene biosynthesis / Lipid synthesis / Magnesium / Membrane / Multifunctional enzyme / NADP / Oxidoreductase / Steroid biosynthesis / Sterol biosynthesis / Transmembrane

Function / homology

Function:

farnesyl diphosphate metabolic process / squalene synthase / farnesyl-diphosphate farnesyltransferase activity / squalene synthase activity / Cholesterol biosynthesis / steroid biosynthetic process / cholesterol biosynthetic process / Activation of gene expression by SREBF (SREBP) / PPARA activates gene expression / endoplasmic reticulum membrane / endoplasmic reticulum / membrane / metal ion binding

Domain/homology:

Squalene synthase-like / Trans-isoprenyl diphosphate synthases, eukaryotic-type / Squalene and phytoene synthases signature 2. / Squalene/phytoene synthase, conserved site / Squalene and phytoene synthases signature 1. / Squalene/phytoene synthase / Trans-isoprenyl diphosphate synthases, head-to-head / Squalene/phytoene synthase / Farnesyl Diphosphate Synthase / Farnesyl Diphosphate Synthase / Isoprenoid synthase domain superfamily / Orthogonal Bundle / Mainly Alpha

Component:

Chem-B65 / Squalene synthase

• Biological species: Homo sapiens (human)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.2 Å
• Authors: Liu, Y.-L. / Lin, F.-Y. / Oldfield, E.
• Citation: Journal: To be Published; Title: Mechanism of Action (and Inhibition) of Head-to-Head Terpene Synthases: A Structural Investigation; Authors: Lin, F.-Y. / Liu, C.-I. / Liu, Y.-L. / Zhang, Y. / Wang, K. / Cao, R. / Wang, A.H.J. / Oldfield, E.

History

Deposition	Jan 14, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 8, 2010	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Feb 21, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Assembly

Deposited unit

A: Squalene synthetase

B: Squalene synthetase

C: Squalene synthetase

D: Squalene synthetase

E: Squalene synthetase

F: Squalene synthetase

hetero molecules

Summary:

• 237 kDa, 6 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	237,464	18
Polymers	235,000	6
Non-polymers	2,464	12
Water	3,387	188

1

A: Squalene synthetase

hetero molecules

Summary:

• defined by author&software
• 39.6 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	39,577	3
Polymers	39,167	1
Non-polymers	411	2
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

2

B: Squalene synthetase

hetero molecules

Summary:

• defined by author&software
• 39.6 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	39,577	3
Polymers	39,167	1
Non-polymers	411	2
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

3

C: Squalene synthetase

hetero molecules

Summary:

• defined by author&software
• 39.6 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	39,577	3
Polymers	39,167	1
Non-polymers	411	2
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

4

D: Squalene synthetase

hetero molecules

Summary:

• defined by author&software
• 39.6 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	39,577	3
Polymers	39,167	1
Non-polymers	411	2
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

5

E: Squalene synthetase

hetero molecules

Summary:

• defined by author&software
• 39.6 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	39,577	3
Polymers	39,167	1
Non-polymers	411	2
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

6

F: Squalene synthetase

hetero molecules

Summary:

• defined by author&software
• 39.6 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	39,577	3
Polymers	39,167	1
Non-polymers	411	2
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

Unit cell

Length a, b, c (Å)	85.662, 153.422, 92.904
Angle α, β, γ (deg.)	90.00, 90.50, 90.00
Int Tables number	4
Space group name H-M	P1211

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
1	2	A
2	2	D
1	3	A
2	3	E
1	4	A
2	4	F

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	3	A	37 - 316
2	1	1	3	B	37 - 316
3	1	1	3	C	37 - 316
1	2	1	3	A	327 - 452
2	2	1	3	B	327 - 452
3	2	1	3	C	327 - 452
1	1	2	3	A	37 - 315
2	1	2	3	D	37 - 315
1	2	2	3	A	327 - 369
2	2	2	3	D	327 - 369
1	3	2	6	A	451 - 452
2	3	2	6	D	451 - 452
1	1	3	3	A	316 - 317
2	1	3	3	E	316 - 317
1	2	3	3	A	327 - 369
2	2	3	3	E	327 - 369
1	3	3	6	A	451 - 452
2	3	3	6	E	451 - 452
1	1	4	6	A	38 - 311
2	1	4	6	F	38 - 311
1	2	4	6	A	327 - 370
2	2	4	6	F	327 - 370
1	3	4	6	A	451 - 452
2	3	4	6	F	451 - 452

NCS ensembles :

ID
1
2
3
4

Components

#1: Protein

A B C D E F
Squalene synthetase / SQS / SS / Farnesyl-diphosphate farnesyltransferase / FPP:FPP farnesyltransferase

Details:

Mass: 39166.699 Da / Num. of mol.: 6 / Fragment: UNP RESIDUES 31-370
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: FDFT1 / Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P37268, squalene synthase

#2: Chemical

A-451 B-451 C-451 D-451 E-451 F-451
ChemComp-B65 / (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid / BPH-652

Details:

Mass: 386.357 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₆H₁₉O₇PS

#3: Chemical

A-452 B-452 C-452 D-452 E-452 F-452
ChemComp-MG / MAGNESIUM ION

Details:

Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg

#4: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 188 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.6 ų/Da / Density % sol: 52.65 %
• Crystal grow: Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.4 ; Details: 20% PEG 6,000, 0.2M sodium tartrate dibasic, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Data collection

• Diffraction: Mean temperature: 298 K
• Diffraction source: Source: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 1.0809 Å
• Detector: Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jun 18, 2008; Details: Rosenbaum-Rock double crystal sagittal focusing monochrometer and vertical focusing mirror
• Radiation: Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1.0809 Å / Relative weight: 1
• Reflection: Resolution: 3.2→30 Å / Num. all: 39260 / Num. obs: 39260 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 7.3 % / R_merge(I) obs: 0.162 / Net I/σ(I): 16.6
• Reflection shell: Resolution: 3.2→3.31 Å / Redundancy: 6.7 % / R_merge(I) obs: 0.521 / Mean I/σ(I) obs: 3.87 / % possible all: 99.7

Processing

Software

Name	Version	Classification
HKL-2000		data collection
PHASES		phasing
REFMAC	5.5.0109	refinement
HKL-2000		data reduction
HKL-2000		data scaling

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.2→29.58 Å / Cor.coef. F_o:F_c: 0.93 / Cor.coef. F_o:F_c free: 0.862 / SU B: 55.671 / SU ML: 0.438 / Cross valid method: THROUGHOUT / ESU R Free: 0.58 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.27638	1973	5 %	RANDOM
Rwork	0.19147	-	-	-
obs	0.19568	37261	99.51 %	-
all	-	39260	-	-

• Solvent computation: Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 48.364 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	0 Å2	0 Å2	0 Å2
2-	-	0 Å2	0 Å2
3-	-	-	0 Å2

Refinement step

Cycle: LAST / Resolution: 3.2→29.58 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15040	0	156	188	15384

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.005	0.022	15507
X-RAY DIFFRACTION	r_bond_other_d	0	0.02	10390
X-RAY DIFFRACTION	r_angle_refined_deg	0.686	1.96	21022
X-RAY DIFFRACTION	r_angle_other_deg	0.585	3	25269
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.412	5	1866
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	41.138	24.274	751
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	20.582	15	2647
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.823	15	96
X-RAY DIFFRACTION	r_chiral_restr	0.041	0.2	2340
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	17151
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	3223
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.472	1.5	9382
X-RAY DIFFRACTION	r_mcbond_other	0.076	1.5	3756
X-RAY DIFFRACTION	r_mcangle_it	0.909	2	15164
X-RAY DIFFRACTION	r_scbond_it	1.271	3	6125
X-RAY DIFFRACTION	r_scangle_it	2.207	4.5	5858
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	A	1842	TIGHT POSITIONAL	0.34	0.05
1	2	B	1842	TIGHT POSITIONAL	0.48	0.05
1	3	C	1842	TIGHT POSITIONAL	0.35	0.05
1	1	A	2395	LOOSE POSITIONAL	0.7	5
1	2	B	2395	LOOSE POSITIONAL	0.8	5
1	3	C	2395	LOOSE POSITIONAL	0.71	5
1	1	A	1842	TIGHT THERMAL	2.09	0.5
1	2	B	1842	TIGHT THERMAL	3.19	0.5
1	3	C	1842	TIGHT THERMAL	3.72	0.5
1	1	A	2395	LOOSE THERMAL	2.51	10
1	2	B	2395	LOOSE THERMAL	3.29	10
1	3	C	2395	LOOSE THERMAL	3.75	10
2	1	A	1830	TIGHT POSITIONAL	0.34	0.05
2	1	A	2388	LOOSE POSITIONAL	0.65	5
2	1	A	1830	TIGHT THERMAL	3.62	0.5
2	1	A	2388	LOOSE THERMAL	3.68	10
3	1	A	255	TIGHT POSITIONAL	0.23	0.05
3	1	A	376	LOOSE POSITIONAL	0.69	5
3	1	A	255	TIGHT THERMAL	1.46	0.5
3	1	A	376	LOOSE THERMAL	2.89	10
4	1	A	3499	LOOSE POSITIONAL	0.53	5
4	1	A	3499	LOOSE THERMAL	7.72	10

LS refinement shell

Resolution: 3.2→3.286 Å / Total num. of bins used: 20

	Rfactor	Num. reflection	% reflection
Rfree	0.367	140	-
Rwork	0.24	2532	-
obs	-	-	93.59 %

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	5.4736	-1.9299	-1.4224	1.6971	-0.255	3.4826	0.0684	0.0669	0.2049	-0.0213	-0.0954	0.1243	-0.1813	-0.1424	0.027	0.3306	-0.0287	-0.0774	0.3403	0.0324	0.3816	12.8761	-6.2549	44.2077
2	2.0237	1.0488	0.5097	4.3494	-0.7056	1.1157	-0.0963	0.1036	-0.0125	-0.2347	0.0558	0.0878	0.0477	-0.0762	0.0405	0.3077	-0.0045	-0.0439	0.3256	-0.0027	0.3238	19.9386	-7.9612	48.2
3	11.8442	14.6444	3.5457	23.6833	6.3905	1.7864	0.2781	0.3185	0.0216	-0.2063	-0.2168	-0.2028	-0.098	-0.0968	-0.0613	0.5249	-0.0285	-0.037	0.5649	0.1266	0.4005	32.5085	4.0696	32.1184
4	2.8634	1.1378	-1.5773	2.0189	-0.7077	1.838	-0.0697	0.3736	0.3833	-0.2411	0.0203	0.2771	-0.1982	-0.2133	0.0494	0.4518	0.016	-0.0753	0.3964	0.0748	0.4866	25.3159	5.9527	41.5958
5	1.3528	0.2179	0.2579	1.6867	-0.7909	2.2211	0.0069	-0.0567	0.4517	0.1543	0.0732	0.1838	-0.2718	-0.1408	-0.0801	0.4135	-0.0067	-0.037	0.3307	0.006	0.4356	20.9565	0.9222	52.7253
6	3.769	-1.7067	-0.9719	4.4793	0.5256	0.5082	0.2021	0.0778	0.3873	-0.4552	-0.1227	-0.3931	-0.2324	0.2755	-0.0794	0.442	-0.0412	-0.0166	0.4263	0.0258	0.5166	39.9867	-3.3353	41.1685
7	0.4753	-0.1721	0.4063	8.4177	1.8767	0.885	-0.0113	0.1075	0.0476	-0.0727	-0.1216	0.1041	-0.1338	0.1305	0.1329	0.3223	-0.0477	-0.0221	0.2778	0.0497	0.3092	41.2696	-11.5742	42.5134
8	3.367	-1.125	-3.0333	3.0023	0.7177	3.7736	0.0088	-0.066	0.0054	0.1992	-0.1076	-0.0873	-0.0332	-0.0047	0.0988	0.3259	-0.0304	-0.0605	0.2665	0.0078	0.2816	30.5493	-15.2189	53.9557
9	15.2592	7.7002	-9.9435	7.5635	-7.9137	8.7617	-0.1397	1.411	0.2819	-0.975	0.1493	-0.0323	0.7926	-0.4685	-0.0097	0.5328	0.0851	-0.1203	0.4746	0.024	0.3544	32.7804	-17.6474	31.5912
10	5.3713	-0.7006	-0.6873	2.9866	-1.1024	2.2562	0.054	0.3169	0.6148	-0.6287	0.1601	-0.3484	-0.1238	-0.0114	-0.2141	0.6137	0.027	-0.0012	0.6171	0.1321	0.4369	41.0967	-14.4057	28.0309
11	15.6037	0.9573	13.9088	8.5366	0.3885	12.4258	0.031	0.5254	0.0774	-1.145	-0.0908	0.2078	0.1066	0.4309	0.0598	0.838	-0.0564	0.0689	0.9266	0.0811	0.3539	40.5736	-19.2721	19.3726
12	31.2306	8.4666	15.9257	2.6348	6.0202	16.69	-0.3641	0.8779	-0.0603	-0.0205	0.2624	0.0087	0.347	0.4217	0.1017	1.0042	-0.0023	0.0597	0.5904	-0.1693	0.3146	41.8628	-26.527	23.8478
13	7.9568	6.9736	-1.3475	12.0142	-7.5721	7.1499	-0.297	0.2681	-0.1367	-0.3053	-0.4239	-0.7587	0.0897	0.694	0.7208	0.4605	0.0337	0.0458	0.3817	0.0006	0.2077	40.8223	-25.1953	33.8516
14	1.1997	-0.9829	0.376	1.6481	0.6746	1.3096	-0.1061	-0.0433	-0.1369	0.1374	0.0276	0.1439	0.0905	-0.0079	0.0785	0.3477	-0.0237	-0.0324	0.2752	0.0032	0.298	28.4356	-23.783	51.7048
15	8.3489	1.0755	-1.5732	5.4345	-0.5315	0.3421	-0.2471	0.5837	-0.7821	-0.4417	0.046	0.3297	0.039	-0.1614	0.2011	0.4163	0.0064	-0.1034	0.4176	-0.1177	0.3538	28.96	-26.7629	37.3699
16	2.2454	1.6866	-0.9519	4.6928	6.8268	17.0081	-0.0348	0.1161	0.8242	0.5481	-0.3545	0.9578	1.2922	-0.9901	0.3893	0.4961	-0.077	-0.0351	0.4726	-0.0065	0.3521	33.6827	-28.446	27.6483
17	5.7949	-2.6871	1.9618	1.2527	-0.8669	4.1069	0.0864	0.2227	-0.2369	-0.1179	-0.1115	0.1344	-0.8455	-1.5132	0.0252	0.9907	0.2859	-0.2085	0.7626	-0.0102	0.2496	27.6223	-24.6016	26.3993
18	6.5482	2.5683	-1.7819	7.7535	-1.5087	3.4939	-0.0091	0.0579	-0.095	0.0414	-0.1318	0.4734	0.3433	-0.0454	0.1409	0.368	-0.026	-0.0519	0.3098	-0.0338	0.2527	23.9125	-32.4863	50.4385
19	0.1647	0.5988	-1.3556	2.8044	-5.5236	11.7806	0.0689	-0.0517	0.0146	-0.4534	0.2931	0.1771	0.1371	-0.0148	-0.362	0.8506	-0.3151	-0.0143	0.5151	0.0207	0.4261	29.8829	-35.0331	43.3333
20	3.6454	0.3994	-0.1498	2.3993	-0.7239	6.7108	0.0541	0.2641	-0.1921	-0.2655	-0.0609	-0.0421	0.2108	0.1661	0.0068	0.4187	0.0274	0.0039	0.2878	-0.0369	0.3217	40.3863	-35.2893	39.4354
21	1.5012	2.2687	-0.3522	8.5646	-0.8052	2.9896	-0.1546	-0.0223	-0.597	0.2839	-0.0756	-0.1766	0.1612	-0.1662	0.2302	0.2437	-0.0153	0.0094	0.3605	-0.0281	0.4996	-7.5745	-48.2097	52.0222
22	5.4276	0.3215	0.8616	1.1348	-0.6092	2.1831	-0.0356	0.2074	-0.2102	0.0354	-0.1337	0.0989	0.0336	-0.1512	0.1694	0.2314	-0.0357	-0.0205	0.3293	-0.0099	0.4119	-9.0834	-40.3234	54.6507
23	12.7669	-1.7646	-7.0595	0.2459	0.9831	3.9945	-0.0485	0.9124	0.1773	0.0261	-0.0933	-0.0126	0.0764	-0.5203	0.1418	0.4201	-0.0752	-0.0355	0.6637	-0.0391	0.6149	-28.8433	-38.5535	41.9456
24	7.344	-1.7363	0.5123	3.0282	2.0253	1.8156	0.1155	-0.0048	-0.2414	0.0834	-0.2331	0.1546	0.074	-0.1199	0.1176	0.306	-0.0772	0.0001	0.5013	-0.0983	0.5905	-26.8194	-39.7065	55.7977
25	3.9739	-0.6963	0.054	1.6054	-1.6861	4.3574	0.0857	0.431	-0.6216	-0.5052	-0.2368	0.164	0.4547	-0.2594	0.1511	0.4102	-0.0699	-0.0415	0.5867	-0.1047	0.6953	-22.5954	-48.1112	46.8489
26	1.6373	0.8542	1.3951	4.8032	2.7264	3.3922	0.1134	-0.0894	-0.4542	0.0861	-0.066	-0.0657	0.1777	-0.0425	-0.0474	0.2935	-0.1029	0.0329	0.4939	0.0257	0.5625	-16.1968	-42.8222	61.3612
27	3.3806	-0.4399	0.0039	6.4588	-5.7865	5.2802	-0.1843	0.308	-0.013	-0.2619	0.3643	0.3876	0.2489	-0.4281	-0.18	0.3094	-0.0175	-0.0517	0.5255	-0.1305	0.5702	-24.3311	-26.3976	47.9293
28	4.2481	3.6959	-2.5671	3.2952	-2.0688	9.2467	0.2878	0.0169	0.4607	0.1097	-0.0963	0.4978	-0.14	-0.4447	-0.1915	0.3762	0.0498	-0.1046	0.4022	-0.0868	0.4451	-17.9563	-20.6329	47.084
29	1.8883	0.5848	-0.7612	2.3316	-1.3525	2.7782	-0.0547	-0.2808	0.123	0.1517	-0.0783	-0.0821	-0.2443	-0.1231	0.133	0.2638	-0.0219	-0.0211	0.3661	-0.0362	0.3582	-7.2764	-26.5769	57.6288
30	3.9571	3.3576	5.1277	2.8543	4.3536	6.6693	0.2568	0.1633	-0.2173	0.2621	0.0776	-0.139	0.4861	0.1905	-0.3344	0.5326	-0.0084	-0.0444	0.5398	-0.1303	0.5101	-10.573	-27.1421	34.2907
31	0.8249	-0.7142	0.5437	1.9674	-1.6941	2.9931	0.073	0.4205	0.0979	-0.0901	0.1999	0.3505	-0.033	-0.5218	-0.2729	0.4731	-0.0044	-0.166	0.7176	-0.035	0.5659	-18.2097	-21.3923	32.5596
32	14.1058	0.6141	-8.2244	5.8088	2.3708	6.0869	-0.4111	0.6695	-0.868	0.1826	-0.0647	-0.1743	0.4016	-0.4646	0.4758	0.7857	-0.0102	-0.1757	0.7473	0.0183	0.5612	-16.6499	-21.8942	25.0643
33	7.1481	-6.4326	-6.5013	5.7902	5.8543	5.9228	0.8727	0.9179	0.1692	-0.7816	-0.8105	-0.1286	-0.8222	-0.8961	-0.0622	1.0542	-0.1089	-0.5442	1.1243	-0.1175	0.4111	-11.2261	-18.4975	20.2865
34	2.0226	0.712	1.7197	1.4195	-0.0641	1.9469	-0.1412	-0.0089	0.2592	-0.6555	-0.0311	0.3333	0.0788	-0.1579	0.1724	0.5963	0.1802	-0.1905	0.5976	-0.0011	0.3716	-8.7334	-15.7509	32.067
35	2.3628	-0.531	0.0027	2.8894	-1.7747	2.3227	-0.0391	0.047	-0.0256	-0.0032	-0.1364	-0.1727	-0.1297	0.0249	0.1756	0.212	-0.0348	-0.0423	0.2961	-0.0281	0.3405	0.389	-24.4186	50.5517
36	1.5732	1.9442	1.8501	4.1653	-1.4571	10.1495	-0.2617	-0.0711	-0.0458	-0.7067	-0.224	-0.2879	0.3956	0.1883	0.4857	0.4213	0.0749	-0.1142	0.7322	-0.1471	0.4435	-2.5531	-21.2249	28.9294
37	12.6096	7.2874	0.0289	5.3899	2.351	4.6356	0.2838	1.0268	-0.714	0.4697	0.3247	-0.7308	0.7016	-0.6009	-0.6085	0.7227	0.0084	-0.2958	0.5613	-0.2689	0.3678	-2.9579	-28.1484	28.8846
38	5.668	-2.092	0.5052	7.6381	-1.2668	10.8228	-0.0656	-0.0745	-0.0411	-0.2682	-0.2276	-0.5327	0.258	0.3744	0.2932	0.2088	-0.0542	-0.0382	0.3509	0.0125	0.3718	9.9777	-24.544	50.3653
39	13.6445	5.8388	9.8502	3.5163	2.6687	9.485	-0.7504	0.3699	0.0016	0.1329	0.3163	-0.3345	-1.2197	-0.0985	0.4341	0.2497	0.0723	-0.0676	0.5185	0.0968	0.6066	7.6389	-18.9476	42.7389
40	4.0946	-0.6673	1.6193	2.4571	-0.887	4.8426	0.0199	0.1531	0.0235	-0.196	0.0713	-0.0148	-0.1927	0.0781	-0.0911	0.4083	-0.0175	-0.021	0.43	0.0491	0.4736	1.9768	-10.4149	39.0081
41	5.1529	-0.6397	-3.0128	6.3587	0.3118	1.7708	0.3526	0.1843	0.1026	0.2091	-0.3303	-0.3153	-0.1561	-0.1218	-0.0223	0.4497	0.0115	0.0532	0.2711	0.0148	0.4304	40.4007	-44.6023	47.5408
42	2.9027	-2.6337	-0.6887	5.4935	0.6431	0.3848	0.1605	0.2393	-0.0531	-0.143	-0.2672	0.0386	0.143	-0.1051	0.1067	0.2368	-0.0049	-0.0137	0.2278	-0.0094	0.2837	32.9033	-48.6499	52.3538
43	9.1442	-6.2011	6.5102	5.5574	-1.8486	9.5168	0.8478	0.3911	-0.5053	-0.7078	-0.3803	0.3058	0.3915	0.0281	-0.4676	0.4943	0.0187	-0.0788	0.4021	-0.1802	0.5562	36.6768	-68.3039	41.9163
44	1.2125	-0.9781	-0.1015	2.3151	0.3754	1.5601	0.0418	0.0957	-0.1621	-0.1452	-0.0564	-0.2829	-0.0576	0.1185	0.0146	0.3843	0.041	-0.0124	0.3557	-0.0207	0.5463	43.9054	-64.1576	50.9374
45	26.0632	7.2132	22.3561	2.0289	6.2117	19.1991	0.3983	-0.2814	-0.0688	0.0265	-0.2036	-0.1041	0.3163	-0.2982	-0.1947	0.6387	0.1443	0.1622	0.3757	0.106	0.5596	40.0903	-56.1248	40.4587
46	3.4928	-1.7836	-1.5474	3.3396	1.3254	0.9266	0.0505	-0.3556	0.0893	0.1376	-0.0298	-0.329	-0.0053	0.2238	-0.0207	0.3184	-0.0006	-0.0524	0.2996	-0.0041	0.4	41.1529	-52.8633	58.3079
47	6.0318	-1.2489	1.9178	2.0902	0.9261	1.5804	0.0422	0.2255	-0.9108	0.1848	-0.0489	0.5306	0.2047	0.1002	0.0066	0.4505	-0.0196	0.0134	0.3122	-0.0515	0.7526	25.1534	-69.1134	52.202
48	3.7626	-0.2805	0.8549	3.0266	1.9626	3.2275	-0.0739	-0.1774	-0.326	0.289	0.0217	0.3684	0.1185	-0.12	0.0522	0.2951	-0.0177	-0.0117	0.247	0.0257	0.4195	22.4543	-53.459	60.9779
49	2.099	0.6089	-4.6456	0.1861	-1.3497	10.3026	0.0659	-0.2599	-0.1276	-0.033	-0.2013	0.0053	-0.3427	0.6447	0.1354	0.8512	0.2529	-0.048	0.6437	-0.4911	0.5561	19.3365	-59.9628	38.6574
50	4.5359	-1.8209	2.3178	1.6403	0.2883	2.8202	1.2011	0.149	-1.2136	-1.1112	-0.2934	0.2375	-0.2303	-0.2765	-0.9077	0.7882	0.1257	-0.0123	0.4786	-0.4451	1.0176	18.6659	-70.0378	39.7705
51	10.0918	-26.7197	2.7683	70.8157	-7.4444	0.9455	2.955	0.3271	-0.6963	-9.4656	-1.5977	2.2356	1.3377	0.4207	-1.3572	2.1292	0.7009	-1.5347	0.6578	-1.1619	2.2252	12.1431	-72.882	35.1088
52	2.5058	7.9678	-1.3633	25.3542	-4.3365	0.7419	0.2171	-0.2299	-0.0144	0.1458	-0.4056	-0.1091	-0.0376	0.1054	0.1885	1.3857	0.5584	-0.7403	1.6633	-0.899	0.6499	9.0486	-68.7561	27.908
53	5.2809	-10.0221	3.0283	19.0795	-5.7872	1.7636	0.8062	0.4457	-0.799	-1.241	-0.6169	1.2719	0.3445	0.1639	-0.1893	0.4403	0.1158	-0.3699	0.4534	-0.7197	1.2345	7.7305	-63.9965	40.4338
54	2.1168	-0.2512	0.8179	4.0878	0.8953	1.5042	0.063	0.2605	-0.2908	-0.1647	0.022	0.4841	0.0599	-0.0527	-0.0851	0.2405	0.0094	-0.0232	0.2519	-0.0294	0.4294	15.0568	-49.0785	53.8493
55	10.5559	0.4163	11.3422	0.0178	0.448	12.1913	-0.202	0.2399	0.1861	-0.0413	-0.0319	0.016	-0.2015	0.2187	0.234	0.862	0.4328	-0.0991	0.5208	-0.4896	0.6896	8.7206	-57.5842	34.2565
56	7.1741	-8.2161	13.6486	9.4984	-15.683	26.0115	1.3133	1.0301	0.172	-1.7633	-1.3811	0.0728	2.6203	2.0445	0.0678	1.3495	0.4623	-0.3059	0.5533	-0.3609	1.0291	15.4326	-55.5	32.3165
57	6.0547	-3.5769	-2.8479	2.2187	2.2972	6.6022	0.1987	0.2946	-0.033	-0.1539	-0.0574	0.0742	-0.0297	0.0521	-0.1413	0.2976	-0.0799	-0.1248	0.3396	0.0378	0.4299	10.159	-41.009	53.0293
58	6.7954	6.6852	3.338	7.0851	3.5814	1.82	-0.4844	0.6098	1.0932	0.0141	-0.0194	1.2474	0.0912	0.0262	0.5038	0.7834	-0.1248	-0.2613	0.9012	-0.3918	0.7998	2.7129	-49.1553	45.6669
59	7.4673	-2.3311	-0.8444	2.739	-0.7684	7.5251	0.1161	0.7287	-1.4793	-0.5991	-0.569	1.1608	-0.0568	0.025	0.4529	0.2908	0.0504	-0.4048	0.3074	-0.4033	1.2799	-1.4219	-60.8579	41.0949
60	4.2402	-3.8867	-8.6292	3.5638	7.9661	28.1961	-0.6057	-0.2506	-1.1686	0.5666	0.2275	1.0712	0.8133	0.3791	0.3782	0.3356	0.0082	0.0242	0.2107	-0.07	1.1427	0.4143	-55.1205	53.3344
61	7.535	-4.08	-1.1385	7.928	-1.1559	6.1271	-0.3162	-0.2626	-0.4461	0.8861	-0.0078	0.2277	0.6441	0.1409	0.324	0.4202	0.0289	0.0611	0.5271	0.1959	0.3503	45.5409	-43.7304	82.7114
62	6.4295	-0.3897	0.5631	3.525	0.1262	1.4441	-0.2723	-0.4922	-0.5638	0.0863	0.0621	0.0341	-0.0382	0.2435	0.2102	0.3439	0.015	0.0157	0.3852	0.072	0.2505	45.9401	-37.113	78.0196
63	4.9465	0.7989	-0.5046	1.6614	0.9717	2.5351	-0.173	-0.6416	-0.3518	0.1647	0.1795	-0.5349	0.1007	0.709	-0.0065	0.4101	0.047	-0.0319	0.6075	0.0686	0.505	65.2335	-36.6935	76.5805
64	6.632	-0.7097	0.5725	0.2092	0.3824	8.0706	-0.3408	-0.7762	-0.1049	0.279	0.1833	-0.0973	0.7459	0.484	0.1575	0.5975	0.1597	-0.0663	0.5648	0.2439	0.5708	61.2987	-44.9482	82.3825
65	3.848	-1.3265	-0.3962	2.1459	-0.5977	2.7295	-0.0882	-0.2471	-0.6037	-0.0604	-0.1112	-0.0553	0.1936	0.2334	0.1994	0.3431	-0.001	0.0151	0.3858	0.0421	0.3707	51.3102	-41.3827	70.5365
66	1.157	-0.0671	-0.0975	5.8375	0.0851	4.1486	-0.1347	-0.1532	0.7431	0.4379	0.023	-0.6652	-0.0204	1.1019	0.1117	0.1987	-0.0823	-0.1087	0.5134	-0.064	0.5559	63.5076	-22.8537	77.7629
67	5.2999	-2.0302	-3.5407	4.1751	1.7538	11.9317	0.2997	-0.3649	0.846	-0.2303	0.0683	-0.7441	-0.1784	0.7842	-0.368	0.255	-0.1007	-0.1334	0.5427	-0.0491	0.4062	57.8105	-18.8451	78.4591
68	3.8067	-0.8808	0.2154	2.9958	1.0905	2.5193	-0.0264	-0.0648	0.1111	0.0058	-0.0989	-0.0375	-0.1456	0.0938	0.1253	0.3247	-0.0076	-0.0393	0.3286	0.0027	0.2141	44.2545	-23.779	72.6749
69	1.2572	1.7716	1.6882	2.6318	2.4684	2.3271	0.5578	-0.7881	0.2101	0.9654	-0.7911	0.2063	0.8559	-0.8305	0.2333	0.6658	-0.1435	-0.16	1.5483	-0.1577	0.2103	54.7168	-21.3337	94.5028
70	1.3378	-0.438	-1.8771	0.2938	2.0578	16.679	-0.1837	-1.3647	-0.2875	0.031	0.3504	0.0545	0.2734	1.0131	-0.1667	0.4629	0.1585	-0.2874	1.4987	0.2586	0.4769	62.341	-17.6866	91.3077
71	58.942	23.7324	-8.9271	9.5741	-3.602	1.3578	2.9832	-3.1851	6.0759	1.2566	-1.7494	2.478	-0.4266	0.5641	-1.2338	1.0897	0.491	-0.0896	2.0624	-0.6859	0.8275	64.9421	-7.9004	94.8875
72	19.5484	8.0646	2.0998	3.44	0.8448	0.2307	0.6571	-2.9251	-0.1461	-0.0298	-0.7975	-0.1596	0.0826	-0.3913	0.1404	1.0395	-0.2249	-0.0755	1.6626	-0.5299	0.2682	61.6542	-11.967	102.4104
73	7.614	2.8293	-1.8767	6.4967	-0.4385	0.4783	0.3322	-1.2994	1.157	1.2467	-0.0599	-0.057	-0.0413	0.3769	-0.2723	0.4077	-0.1175	-0.1806	0.8824	-0.3058	0.4286	53.5551	-8.6629	93.9736
74	1.8559	-1.0662	-1.3078	0.9561	1.0852	1.6117	-0.0544	-0.1362	0.1051	0.1427	0.0173	0.0188	-0.2063	0.1404	0.0371	0.3995	-0.0418	-0.0277	0.3117	-0.0194	0.1771	38.4304	-20.3482	78.5941
75	15.9368	13.9687	8.588	17.5412	2.8907	9.9197	0.3413	-0.6423	1.017	1.1324	-0.6121	0.9059	-0.0708	0.739	0.2707	0.5342	0.2624	-0.1549	0.9708	-0.223	0.1497	43.421	-16.2886	92.7227
76	12.9919	-6.5883	0.8648	3.3455	-0.4323	0.108	-1.7131	-3.6155	-0.3406	0.89	1.9017	0.1391	0.1057	-0.204	-0.1886	1.1934	0.533	-0.656	2.1274	-0.2468	0.5975	49.9652	-17.0087	101.4979
77	11.6996	2.9069	1.775	10.9987	-2.3177	10.0937	-0.001	-0.4091	-0.1928	0.2364	0.1039	0.5774	0.0325	0.1605	-0.1029	0.3703	0.0407	-0.01	0.3548	-0.0512	0.1898	30.251	-18.7768	83.9651
78	0.1173	-1.2228	-0.7742	18.9886	12.7352	8.6228	-0.3256	0.013	-0.0653	0.1203	0.1716	0.5898	-0.1309	0.3801	0.154	0.9876	-0.0781	0.0632	0.8208	-0.4113	0.3694	36.3948	-9.5915	91.5363
79	4.7072	1.0378	2.4752	8.2444	5.7783	4.7363	-0.2622	-0.9799	0.9684	-0.0677	0.0965	-0.4078	-0.2209	-0.2427	0.1657	0.6214	-0.12	-0.1173	1.0483	-0.2526	0.604	46.4624	-2.0434	95.2829
80	4.0651	-1.1945	2.5487	0.502	-0.028	6.2248	-0.0056	0.2666	1.4355	-0.1883	0.0488	-0.6175	-0.8862	0.0969	-0.0433	0.5733	-0.0683	0.0458	0.4813	-0.1131	0.8813	40.1168	-3.6751	84.3097
81	15.0616	4.7116	4.6629	3.121	2.2706	1.8443	0.2521	0.2279	0.8092	-0.6244	-0.2342	-0.307	-0.2832	-0.0823	-0.0179	0.7418	0.1036	0.1563	0.2575	-0.0881	0.4857	31.6329	1.5969	85.9493
82	3.0203	0.2848	-0.0153	4.3497	1.0545	3.0544	0.2781	0.1288	0.2638	0.1447	-0.1042	0.0261	-0.5183	-0.478	-0.1738	0.3898	0.105	0.0865	0.2506	0.0801	0.2291	22.4861	-1.6054	86.036
83	4.7255	0.6114	-4.6281	0.0803	-0.5992	4.5408	0.7478	-1.6596	0.4133	0.1218	-0.2525	0.0403	-0.8671	1.5921	-0.4954	1.3869	0.1478	0.4151	0.7296	0.0024	0.5043	16.7144	14.5802	102.1393
84	2.8747	-2.2171	-2.4805	3.1305	0.9773	2.931	0.7691	0.0206	1.0241	0.062	0.1445	-0.433	-0.7729	-0.0676	-0.9136	1.3111	0.2851	0.6011	0.3015	0.1288	0.8839	17.8894	15.9957	88.485
85	4.6872	16.9918	5.9858	61.9015	21.7829	7.6717	0.2377	0.3325	-0.7101	2.2559	0.8582	-2.2228	0.7697	0.4237	-1.0959	0.9207	0.0444	0.415	0.3905	-0.3224	0.8045	25.8156	11.8824	100.4789
86	5.075	2.3354	-3.4726	1.6237	-1.6577	2.86	0.4955	-0.0054	0.7777	-0.0972	-0.0376	-0.2931	-0.573	0.1355	-0.4578	0.8293	0.2612	0.3825	0.2605	-0.0119	0.9044	25.0282	8.7842	83.2853
87	1.3709	0.9483	-2.2327	1.2164	-0.5002	7.229	0.614	0.2351	0.5639	0.0753	0.1457	0.2128	-1.4199	-0.2785	-0.7597	0.7656	0.3453	0.3	0.5531	0.1913	0.5519	8.253	5.2632	92.0065
88	2.1445	0.1391	-0.5182	3.288	-0.9634	0.42	0.2348	0.4199	0.0245	0.2122	-0.2232	0.1486	-0.2178	-0.1484	-0.0117	0.7027	0.4701	0.0619	0.7168	-0.0054	0.1678	7.8891	-2.4325	91.1759
89	10.4858	4.4709	-2.7329	2.6776	0.7495	5.6699	-0.5117	1.4183	0.2364	-0.099	0.3266	0.1874	0.3677	-1.3228	0.1852	0.5417	0.2064	0.0135	0.7684	0.0887	0.2233	9.2998	-9.8778	76.8277
90	4.3961	-2.0828	-2.0089	2.8493	-3.3929	11.0576	-0.143	0.257	0.0131	0.2092	-0.1272	-0.1251	-0.2975	-0.1535	0.2702	0.4438	0.1821	0.0447	0.4457	0.0925	0.1861	9.5695	-9.3305	94.4891
91	0.1895	1.1508	1.4366	7.0031	8.7462	10.9265	0.157	0.0711	-0.0826	0.7644	0.4188	-0.4997	0.9394	0.5006	-0.5758	0.6184	0.1053	0.0583	0.4691	0.0214	0.4365	15.5248	-6.3574	107.8732
92	4.0491	-0.9967	-1.7148	2.1355	-0.8385	6.1803	0.469	-0.3838	0.4962	-0.0818	0.0314	0.0058	-0.8301	-0.1112	-0.5003	0.686	0.1413	0.0576	0.6013	-0.0083	0.3989	8.2368	-2.1813	111.2507
93	6.4039	-1.7341	2.2636	0.8562	-1.9396	5.4298	-0.0244	-1.0818	0.7597	-0.0155	-0.0447	-0.1517	-0.1147	0.7487	0.0691	0.4809	0.0293	0.0912	0.6636	-0.0149	0.4644	8.8886	-2.2792	118.2529
94	21.1367	-21.1847	-8.7705	80.8823	18.0187	5.1746	-0.1586	-0.8307	0.1566	-0.0679	0.0992	-0.3203	-0.2143	0.0911	0.0594	0.9457	0.0476	-0.1433	1.2335	-0.0293	0.4102	12.2363	-7.6057	123.4711
95	5.7776	1.6767	-3.0893	1.6099	-2.6056	4.2548	0.0694	-0.2699	0.0106	0.1729	-0.1607	-0.054	-0.2704	0.235	0.0913	0.464	0.0893	0.0192	0.5178	0.0914	0.3832	6.9239	-13.1781	113.1725
96	3.2198	0.1424	-2.925	0.6599	-0.5247	4.2135	-0.0935	0.2553	-0.3037	-0.1001	-0.0089	-0.0154	-0.0843	-0.5668	0.1024	0.3473	0.0911	0.0071	0.3692	0.0184	0.279	12.9364	-16.3384	90.9739
97	11.5145	4.6376	-3.9617	6.6213	3.6087	7.0933	0.6752	-0.4372	-0.7241	0.4646	-0.1262	-0.9732	0.0909	0.2332	-0.5491	0.487	0.1207	-0.1457	0.549	0.1388	0.4601	14.8755	-16.5162	113.1832
98	8.9146	-11.5236	-6.111	18.436	4.6522	7.1834	0.1477	0.1332	0.5331	0.0826	0.0397	-0.9366	-0.2972	-0.1852	-0.1874	0.4765	-0.0953	-0.0065	0.9688	-0.189	0.6315	21.0037	-12.9568	111.4355
99	1.8069	1.5133	-0.5222	3.5918	2.5788	4.8572	-0.4144	0.0405	-0.5889	0.1625	-0.2381	-0.0925	0.2328	-0.3088	0.6525	0.5871	-0.0063	0.1933	0.372	0.0083	0.4218	15.4299	-25.3382	92.4404
100	3.6016	1.0094	-0.3568	2.736	3.6156	5.7254	-0.3251	0.0931	-0.7221	0.0807	-0.1814	0.0752	0.1554	-0.2516	0.5065	0.4409	0.0455	0.0744	0.5032	0.0663	0.444	4.0955	-24.2158	105.5811
101	16.1667	0.8655	3.6752	6.2131	-4.55	4.5442	0.1029	-1.1124	-0.1976	0.5076	-0.1442	-0.0199	-0.246	-0.3438	0.0412	0.5257	-0.1806	0.2534	0.5974	-0.1681	0.3731	1.7189	-35.0233	99.2276
102	3.7451	1.633	-2.329	5.9447	-1.314	1.4718	0.0425	-0.2023	-0.297	0.2827	-0.2488	0.3051	-0.0163	0.1031	0.2063	0.3183	-0.1519	0.1176	0.4518	-0.0879	0.386	6.2206	-39.9927	92.7922
103	7.9842	-8.8187	0.2627	9.7716	-0.3123	0.0271	-0.7345	-0.8583	-0.3917	0.8255	0.88	0.5813	-0.0105	-0.0169	-0.1455	1.0523	-0.4032	0.2161	0.7656	0.3371	1.1538	3.3851	-58.6672	107.0227
104	5.1553	-2.0922	2.3495	1.3175	-2.4441	7.2681	-0.0387	-0.2963	-1.3806	0.047	-0.0921	0.6674	0.3939	0.0425	0.1308	0.5962	-0.3441	0.4006	0.6522	-0.1149	1.3829	-5.5592	-53.6855	97.7751
105	4.1344	1.6857	-6.254	1.1779	-3.0223	9.9192	-0.1057	-1.1403	0.36	-0.7233	0.2447	-0.0951	0.9684	1.1811	-0.139	0.9767	-0.6407	0.1667	1.042	-0.2611	0.821	1.7064	-46.2286	108.833
106	3.1177	-1.4717	-1.5606	3.137	1.288	4.1384	0.1561	0.0083	-0.4622	0.1202	-0.2747	0.5401	0.2172	-0.5223	0.1186	0.2687	-0.1682	0.1569	0.5438	-0.0811	0.6564	-3.5539	-44.0009	89.9453
107	2.9552	-1.0844	-5.014	0.5496	2.2796	9.816	-0.5206	-0.4804	-0.7322	0.2367	-0.1516	0.1019	1.0828	-0.1079	0.6723	0.5812	-0.1862	0.2105	0.7774	0.3809	0.8165	10.2873	-61.7284	95.4201
108	17.9679	7.5201	-1.9926	3.1628	-0.8579	0.2614	-0.2645	-0.476	-1.142	-0.2269	-0.1041	-0.5668	0.1605	0.0399	0.3686	0.6324	-0.1085	0.4367	0.3789	0.1936	0.9418	16.5313	-59.4085	92.5671
109	3.8252	-1.9756	-0.259	4.3711	-2.0975	3.8854	0.0612	0.1513	-0.4636	0.0164	-0.3597	0.1328	0.3352	-0.0937	0.2985	0.2878	-0.0925	0.0779	0.3112	-0.0461	0.3834	14.4124	-47.1339	83.7402
110	1.8355	-0.6791	-0.2072	1.4829	-0.9817	2.5835	-0.2525	-1.1058	-0.8035	0.7613	-0.0084	0.297	0.3123	0.1413	0.2608	0.9446	-0.1798	0.0868	1.0119	0.284	0.683	21.9831	-50.9941	106.6596
111	8.831	-3.5743	-4.5824	5.2831	0.3745	3.5049	-0.1478	-0.9937	-0.2649	0.6459	-0.153	0.2143	-0.2836	0.2012	0.3008	0.9013	-0.0569	0.1189	1.0457	0.2349	0.8326	17.0089	-56.8279	110.2441
112	2.2461	-0.1438	-1.1985	2.6459	0.4642	0.938	-0.2678	-0.925	-1.2172	0.6045	-0.1847	-0.3253	0.5763	0.5534	0.4526	0.963	-0.0032	0.1016	0.9288	0.367	1.0914	26.5225	-63.6912	102.4225
113	8.3683	-1.284	2.3983	1.3952	-0.6293	11.4632	-0.1695	-1.4817	-1.9874	0.8675	-0.2059	-0.1515	1.3396	0.5171	0.3754	1.0507	-0.0499	0.0342	1.1129	0.515	1.018	27.1147	-62.3666	111.5233
114	5.1398	-3.8413	-1.481	5.4548	4.584	7.771	-0.1733	-1.2968	-0.5226	0.9598	-0.0071	0.4068	0.0338	-0.2851	0.1804	1.1665	-0.1527	0.0192	1.4598	0.4914	0.9389	34.0195	-58.4119	114.6033
115	3.3542	0.0596	-1.193	2.3138	0.1442	0.6511	-0.1326	-1.3268	-0.9751	0.9527	-0.256	-0.6159	0.3954	0.559	0.3887	0.8509	0.0081	0.0058	0.8588	0.3376	0.8268	33.0671	-56.6439	101.2093
116	4.8374	-0.3609	0.048	2.1387	-0.4996	0.3543	0.0755	-0.1656	-0.4311	0.1465	-0.2666	-0.0805	0.1799	0.0692	0.1912	0.2789	-0.03	0.053	0.2929	0.0671	0.2846	23.1164	-42.5617	86.974
117	7.0253	0.9416	-1.2364	4.6572	-2.2546	1.756	-0.0326	-2.148	-0.1172	1.3877	-0.2021	0.1502	-0.1265	0.4695	0.2347	1.0373	-0.0155	0.0292	1.0102	0.318	0.6963	32.5913	-49.2487	107.7961
118	11.7172	-1.8967	1.6484	4.4909	2.8041	8.874	0.1884	-0.1274	0.2459	0.5369	-0.1816	-0.5472	-0.0646	0.1343	-0.0068	0.2352	-0.0295	0.0312	0.3393	0.0918	0.2676	28.5649	-35.161	85.1747
119	5.7087	-0.2239	-0.4072	0.0183	0.0062	0.0485	-0.1273	-0.8884	0.2021	0.045	0.0208	-0.0972	0.02	0.063	0.1065	0.7736	-0.1035	-0.1549	0.7442	0.5215	0.9642	39.73	-48.2369	94.8198
120	4.4392	2.3415	-3.1516	3.7867	2.6646	9.5978	-0.1983	-0.151	-1.0248	-0.3319	-0.2179	-0.6828	-0.2836	-0.0217	0.4162	0.1723	0.0181	0.0773	0.5177	0.2875	0.8162	37.0402	-50.6759	85.3743

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	37 - 54
2	X-RAY DIFFRACTION	2	A	55 - 83
3	X-RAY DIFFRACTION	3	A	84 - 91
4	X-RAY DIFFRACTION	4	A	92 - 121
5	X-RAY DIFFRACTION	5	A	122 - 147
6	X-RAY DIFFRACTION	6	A	148 - 164
7	X-RAY DIFFRACTION	7	A	165 - 174
8	X-RAY DIFFRACTION	8	A	175 - 215
9	X-RAY DIFFRACTION	9	A	216 - 220
10	X-RAY DIFFRACTION	10	A	221 - 242
11	X-RAY DIFFRACTION	11	A	243 - 251
12	X-RAY DIFFRACTION	12	A	252 - 257
13	X-RAY DIFFRACTION	13	A	258 - 264
14	X-RAY DIFFRACTION	14	A	265 - 294
15	X-RAY DIFFRACTION	15	A	295 - 303
16	X-RAY DIFFRACTION	16	A	304 - 309
17	X-RAY DIFFRACTION	17	A	310 - 316
18	X-RAY DIFFRACTION	18	A	327 - 338
19	X-RAY DIFFRACTION	19	A	339 - 342
20	X-RAY DIFFRACTION	20	A	343 - 370
21	X-RAY DIFFRACTION	21	B	37 - 54
22	X-RAY DIFFRACTION	22	B	55 - 83
23	X-RAY DIFFRACTION	23	B	84 - 91
24	X-RAY DIFFRACTION	24	B	92 - 107
25	X-RAY DIFFRACTION	25	B	108 - 121
26	X-RAY DIFFRACTION	26	B	122 - 147
27	X-RAY DIFFRACTION	27	B	148 - 164
28	X-RAY DIFFRACTION	28	B	165 - 174
29	X-RAY DIFFRACTION	29	B	175 - 215
30	X-RAY DIFFRACTION	30	B	216 - 221
31	X-RAY DIFFRACTION	31	B	222 - 242
32	X-RAY DIFFRACTION	32	B	243 - 248
33	X-RAY DIFFRACTION	33	B	249 - 253
34	X-RAY DIFFRACTION	34	B	254 - 263
35	X-RAY DIFFRACTION	35	B	264 - 303
36	X-RAY DIFFRACTION	36	B	304 - 309
37	X-RAY DIFFRACTION	37	B	310 - 316
38	X-RAY DIFFRACTION	38	B	327 - 338
39	X-RAY DIFFRACTION	39	B	339 - 342
40	X-RAY DIFFRACTION	40	B	343 - 370
41	X-RAY DIFFRACTION	41	C	37 - 51
42	X-RAY DIFFRACTION	42	C	52 - 82
43	X-RAY DIFFRACTION	43	C	83 - 90
44	X-RAY DIFFRACTION	44	C	91 - 115
45	X-RAY DIFFRACTION	45	C	116 - 121
46	X-RAY DIFFRACTION	46	C	122 - 146
47	X-RAY DIFFRACTION	47	C	147 - 174
48	X-RAY DIFFRACTION	48	C	175 - 213
49	X-RAY DIFFRACTION	49	C	214 - 222
50	X-RAY DIFFRACTION	50	C	223 - 237
51	X-RAY DIFFRACTION	51	C	238 - 247
52	X-RAY DIFFRACTION	52	C	248 - 254
53	X-RAY DIFFRACTION	53	C	255 - 264
54	X-RAY DIFFRACTION	54	C	265 - 303
55	X-RAY DIFFRACTION	55	C	304 - 309
56	X-RAY DIFFRACTION	56	C	310 - 316
57	X-RAY DIFFRACTION	57	C	327 - 338
58	X-RAY DIFFRACTION	58	C	339 - 346
59	X-RAY DIFFRACTION	59	C	347 - 358
60	X-RAY DIFFRACTION	60	C	359 - 370
61	X-RAY DIFFRACTION	61	D	37 - 54
62	X-RAY DIFFRACTION	62	D	55 - 82
63	X-RAY DIFFRACTION	63	D	83 - 106
64	X-RAY DIFFRACTION	64	D	107 - 121
65	X-RAY DIFFRACTION	65	D	122 - 147
66	X-RAY DIFFRACTION	66	D	148 - 165
67	X-RAY DIFFRACTION	67	D	166 - 176
68	X-RAY DIFFRACTION	68	D	177 - 215
69	X-RAY DIFFRACTION	69	D	216 - 222
70	X-RAY DIFFRACTION	70	D	223 - 237
71	X-RAY DIFFRACTION	71	D	238 - 242
72	X-RAY DIFFRACTION	72	D	243 - 253
73	X-RAY DIFFRACTION	73	D	254 - 264
74	X-RAY DIFFRACTION	74	D	265 - 294
75	X-RAY DIFFRACTION	75	D	295 - 304
76	X-RAY DIFFRACTION	76	D	305 - 315
77	X-RAY DIFFRACTION	77	D	327 - 338
78	X-RAY DIFFRACTION	78	D	339 - 346
79	X-RAY DIFFRACTION	79	D	347 - 358
80	X-RAY DIFFRACTION	80	D	359 - 369
81	X-RAY DIFFRACTION	81	E	37 - 52
82	X-RAY DIFFRACTION	82	E	53 - 83
83	X-RAY DIFFRACTION	83	E	84 - 91
84	X-RAY DIFFRACTION	84	E	92 - 112
85	X-RAY DIFFRACTION	85	E	113 - 117
86	X-RAY DIFFRACTION	86	E	118 - 138
87	X-RAY DIFFRACTION	87	E	139 - 165
88	X-RAY DIFFRACTION	88	E	166 - 187
89	X-RAY DIFFRACTION	89	E	188 - 202
90	X-RAY DIFFRACTION	90	E	203 - 215
91	X-RAY DIFFRACTION	91	E	216 - 221
92	X-RAY DIFFRACTION	92	E	222 - 240
93	X-RAY DIFFRACTION	93	E	241 - 247
94	X-RAY DIFFRACTION	94	E	248 - 252
95	X-RAY DIFFRACTION	95	E	253 - 263
96	X-RAY DIFFRACTION	96	E	264 - 303
97	X-RAY DIFFRACTION	97	E	304 - 309
98	X-RAY DIFFRACTION	98	E	310 - 316
99	X-RAY DIFFRACTION	99	E	327 - 342
100	X-RAY DIFFRACTION	100	E	343 - 369
101	X-RAY DIFFRACTION	101	F	38 - 52
102	X-RAY DIFFRACTION	102	F	53 - 82
103	X-RAY DIFFRACTION	103	F	83 - 91
104	X-RAY DIFFRACTION	104	F	92 - 112
105	X-RAY DIFFRACTION	105	F	113 - 121
106	X-RAY DIFFRACTION	106	F	122 - 146
107	X-RAY DIFFRACTION	107	F	147 - 165
108	X-RAY DIFFRACTION	108	F	166 - 175
109	X-RAY DIFFRACTION	109	F	176 - 216
110	X-RAY DIFFRACTION	110	F	217 - 223
111	X-RAY DIFFRACTION	111	F	224 - 229
112	X-RAY DIFFRACTION	112	F	230 - 240
113	X-RAY DIFFRACTION	113	F	241 - 247
114	X-RAY DIFFRACTION	114	F	248 - 253
115	X-RAY DIFFRACTION	115	F	254 - 264
116	X-RAY DIFFRACTION	116	F	265 - 303
117	X-RAY DIFFRACTION	117	F	304 - 311
118	X-RAY DIFFRACTION	118	F	327 - 338
119	X-RAY DIFFRACTION	119	F	339 - 357
120	X-RAY DIFFRACTION	120	F	358 - 370