PDB-4pkn: Crystal structure of the football-shaped GroEL-GroES2-(ADPBeFx)14...

Basic information

• Entry: Database: PDB / ID: 4pkn
• Title: Crystal structure of the football-shaped GroEL-GroES2-(ADPBeFx)14 complex containing substrate Rubisco

Components

• 10 kDa chaperonin
• 60 kDa chaperonin

• Keywords: PROTEIN BINDING / chaperonin / protein encapsulation / GroEL-GroES2 "football" complex / Rubisco

Function / homology

Function:

GroEL-GroES complex / chaperonin ATPase / chaperone cofactor-dependent protein refolding / protein folding chaperone / isomerase activity / ATP-dependent protein folding chaperone / unfolded protein binding / protein-folding chaperone binding / response to heat / protein refolding / ATP binding / metal ion binding / cytoplasm

Domain/homology:

10 Kd Chaperonin, Protein Cpn10; Chain O / GroES chaperonin / GROEL; domain 2 / TCP-1-like chaperonin intermediate domain / GROEL; domain 1 / GroEL-like equatorial domain / GroEL / GroEL / Chaperonin GroES, conserved site / Chaperonins cpn10 signature. / Chaperonin 10 Kd subunit / GroES chaperonin family / GroES chaperonin superfamily / Chaperonin 10 Kd subunit / Chaperonin Cpn60, conserved site / Chaperonins cpn60 signature. / Chaperonin Cpn60/GroEL / GroEL-like equatorial domain superfamily / TCP-1-like chaperonin intermediate domain superfamily / GroEL-like apical domain superfamily / TCP-1/cpn60 chaperonin family / Chaperonin Cpn60/GroEL/TCP-1 family / GroES-like superfamily / 3-Layer(bba) Sandwich / Roll / 2-Layer Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha / Alpha Beta

Component:

ADENOSINE-5'-DIPHOSPHATE / BERYLLIUM TRIFLUORIDE ION / : / Chaperonin GroEL / Co-chaperonin GroES

• Biological species: Escherichia coli (E. coli)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.66 Å
• Authors: Fei, X. / Ye, X. / Laronde-Leblanc, N. / Lorimer, G.H.

Funding support

United States, 2items

Organization	Grant number	Country
University of Maryland	Ann.Wylie dissertation fellowship	United States
University of Maryland	Bailey fellowship	United States

• Citation: Journal: Proc.Natl.Acad.Sci.USA / Year: 2014; Title: Formation and structures of GroEL:GroES2 chaperonin footballs, the protein-folding functional form.; Authors: Fei, X. / Ye, X. / LaRonde, N.A. / Lorimer, G.H.

History

Deposition	May 15, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 20, 2014	Provider: repository / Type: Initial release
Revision 1.1	Sep 3, 2014	Group: Database references
Revision 1.2	Oct 1, 2014	Group: Database references
Revision 1.3	Dec 27, 2023	Group: Data collection / Database references / Derived calculations / Other / Refinement description / Source and taxonomy Category: chem_comp_atom / chem_comp_bond / citation / database_2 / entity_src_gen / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_conn_angle / pdbx_struct_oper_list / refine_hist / struct_conn Item: _citation.journal_id_CSD / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity_src_gen.pdbx_alt_source_flag / _pdbx_database_status.pdb_format_compatible / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_oper_list.symmetry_operation / _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

Assembly

Deposited unit

G: 60 kDa chaperonin

A: 60 kDa chaperonin

B: 60 kDa chaperonin

F: 60 kDa chaperonin

E: 60 kDa chaperonin

C: 60 kDa chaperonin

D: 60 kDa chaperonin

O: 10 kDa chaperonin

P: 10 kDa chaperonin

Q: 10 kDa chaperonin

U: 10 kDa chaperonin

T: 10 kDa chaperonin

R: 10 kDa chaperonin

S: 10 kDa chaperonin

K: 60 kDa chaperonin

J: 60 kDa chaperonin

I: 60 kDa chaperonin

L: 60 kDa chaperonin

M: 60 kDa chaperonin

H: 60 kDa chaperonin

N: 60 kDa chaperonin

X: 10 kDa chaperonin

W: 10 kDa chaperonin

V: 10 kDa chaperonin

Y: 10 kDa chaperonin

Z: 10 kDa chaperonin

2: 10 kDa chaperonin

1: 10 kDa chaperonin

hetero molecules

Summary:

• 957 kDa, 28 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	956,890	84
Polymers	949,097	28
Non-polymers	7,793	56
Water	0	0

1

Summary:

• Idetical with deposited unit
• defined by author&software

Symmetry operations:

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

Calculated values:

Buried area	106810 Å2
ΔGint	-649 kcal/mol
Surface area	346410 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	171.952, 173.653, 411.270
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P212121

Components

Protein , 2 types, 28 molecules G A B F E C D K J I L M H N O P Q U T R S X W V Y Z 2 1

#1: Protein

G A B F E C D K J I L M H N
60 kDa chaperonin / GroEL protein / Protein Cpn60

Details:

Mass: 57391.711 Da / Num. of mol.: 14
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli)
Gene: groEL, groL, mopA, BN17_41231, BU34_16740, ECs5124, LF82_0923
Plasmid: pKK233-2 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: Q548M1

#2: Protein

O P Q U T R S X W V Y Z 2 1
10 kDa chaperonin / GroES protein / Protein Cpn10

Details:

Mass: 10400.938 Da / Num. of mol.: 14
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli)
Gene: groS, groES, mopB, BN17_41221, BU34_16745, ECs5123, LF82_0924
Production host: Escherichia coli (E. coli) / References: UniProt: Q7BGE6

Non-polymers , 4 types, 56 molecules

#3: Chemical

G-601 A-601 B-601 F-601 E-601 C-601 D-601 K-601 J-601 I-601 L-601 M-601 H-601 N-601
ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE

Details:

Mass: 427.201 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Comment: ADP, energy-carrying molecule*YM

#4: Chemical

G-602 A-602 B-602 F-602 E-602 C-602 D-602 K-602 J-602 I-602 L-602 M-602 H-602 N-602
ChemComp-BEF / BERYLLIUM TRIFLUORIDE ION

Details:

Mass: 66.007 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: BeF₃

#5: Chemical

G-603 A-603 B-603 F-603 E-603 C-603 D-603 K-603 J-603 I-603 L-603 M-603 H-603 N-603
ChemComp-MG / MAGNESIUM ION

Details:

Mass: 24.305 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: Mg

#6: Chemical

G-604 A-604 B-604 F-604 E-604 C-604 D-604 K-604 J-604 I-604 L-604 M-604 H-604 N-604
ChemComp-K / POTASSIUM ION

Details:

Mass: 39.098 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: K

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION

Sample preparation

• Crystal: Density Matthews: 3.23 ų/Da / Density % sol: 61.98 %
• Crystal grow: Temperature: 293 K / Method: vapor diffusion, hanging drop; Details: 10 % PEG 550 mme (v/v), 0.1 M acetic acid-KCl buffer; PH range: 4.8-5.2

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9792 Å
• Detector: Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 6, 2013
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.9792 Å / Relative weight: 1
• Reflection: Resolution: 3.66→122.185 Å / Num. obs: 135754 / % possible obs: 99.7 % / Redundancy: 6.1 % / Net I/σ(I): 6.9
• Reflection shell: Resolution: 3.66→3.86 Å / Redundancy: 6.4 % / R_merge(I) obs: 0.655 / Mean I/σ(I) obs: 2.6 / % possible all: 99.8

Processing

• Software: Name: PHENIX / Version: (phenix.refine: 1.8.4_1496) / Classification: refinement

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.66→122.185 Å / SU ML: 0.44 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.47 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.241	1999	1.48 %
Rwork	0.1881	-	-
obs	0.1889	135496	99.53 %

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

Refinement step

Cycle: LAST / Resolution: 3.66→122.185 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	64117	0	462	0	64579

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	65013
X-RAY DIFFRACTION	f_angle_d	1.207	87795
X-RAY DIFFRACTION	f_dihedral_angle_d	13.138	24559
X-RAY DIFFRACTION	f_chiral_restr	0.047	10677
X-RAY DIFFRACTION	f_plane_restr	0.005	11405

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
3.66-3.7516	0.3169	141	0.2638	9456	X-RAY DIFFRACTION	100
3.7516-3.853	0.2825	142	0.2407	9443	X-RAY DIFFRACTION	100
3.853-3.9664	0.3091	142	0.2425	9415	X-RAY DIFFRACTION	100
3.9664-4.0944	0.2892	142	0.2244	9503	X-RAY DIFFRACTION	100
4.0944-4.2408	0.2831	139	0.2051	9462	X-RAY DIFFRACTION	100
4.2408-4.4106	0.247	138	0.2005	9422	X-RAY DIFFRACTION	99
4.4106-4.6113	0.2319	145	0.1855	9509	X-RAY DIFFRACTION	100
4.6113-4.8544	0.2419	144	0.1809	9491	X-RAY DIFFRACTION	100
4.8544-5.1586	0.22	143	0.1837	9496	X-RAY DIFFRACTION	100
5.1586-5.5569	0.2657	144	0.1989	9563	X-RAY DIFFRACTION	100
5.5569-6.1161	0.2803	142	0.2043	9537	X-RAY DIFFRACTION	99
6.1161-7.001	0.2896	147	0.1963	9630	X-RAY DIFFRACTION	100
7.001-8.8202	0.1889	144	0.1452	9620	X-RAY DIFFRACTION	99
8.8202-122.2535	0.1673	146	0.1391	9950	X-RAY DIFFRACTION	99

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	3.0067	-1.2084	-0.2818	1.9454	-0.3579	2.3347	0.1924	0.032	-0.2498	-0.0559	-0.3087	0.1997	0.1244	-0.1117	0.0782	0.4252	0.0069	-0.0813	0.4964	-0.0611	0.4883	20.3528	78.3091	505.2573
2	6.3894	6.4567	-1.6527	6.8538	0.0027	-0.3323	-0.3664	0.4799	-0.226	-0.1397	0.2819	0.0205	0.7804	-0.1219	0.056	1.5127	-0.1021	-0.1656	0.9442	0.1	1.1685	-18.921	58.7003	501.7874
3	2.1992	-0.5866	-0.9104	2.5949	0.2073	1.3127	-0.0106	-0.3071	-0.023	0.2623	-0.0321	0.1266	-0.0573	0.0929	0.0233	0.4763	0.0247	-0.043	0.6191	0.0036	0.3982	22.1535	81.6158	514.1428
4	2.061	-0.3732	-0.272	1.4582	0.1047	1.4649	0.1068	-0.2049	-0.3183	-0.0965	-0.2046	0.0398	0.248	-0.2172	-0.0004	0.608	0.1516	-0.0079	0.6712	0.0503	0.6327	40.0932	51.1617	497.0691
5	3.5983	0.9411	-1.6315	5.4973	-0.2138	1.8761	-0.8241	1.9717	-0.7904	-0.0498	0.3328	0.0197	0.3731	0.0742	0.6126	1.3355	-0.2653	0.1844	1.647	-0.1443	1.2093	6.2292	26.3025	501.66
6	1.7284	-0.4761	-0.306	2.3438	-0.2042	3.525	-0.1865	-0.0911	-0.3359	0.1478	0.0192	0.0158	0.3274	0.1585	0.1294	0.5119	0.169	-0.0242	0.6281	0.1269	0.6381	48.2263	48.2334	501.0432
7	1.35	0.3354	0.0282	0.7786	0.3661	1.7685	-0.0639	-0.012	-0.5398	-0.0885	-0.1256	-0.0785	0.1514	-0.4069	0.1558	0.6668	0.2248	0.1262	0.7821	0.0166	0.7653	52.6571	38.7157	464.1916
8	3.8411	3.3227	-0.6679	7.7992	-1.6965	6.9784	0.1104	-0.2161	0.6441	0.1893	-0.3941	0.568	0.0333	-0.2268	0.1766	0.8667	0.0179	0.0426	1.3438	-0.2987	1.3838	23.4486	9.3959	472.3339
9	-0.1388	-0.3085	0.2575	2.4542	-0.6122	3.3899	-0.1327	0.0619	-0.2055	0.073	0.0584	-0.4233	0.4416	0.1782	0.0728	0.6206	0.207	0.1338	0.629	0.0294	0.8638	61.4022	36.6943	460.9275
10	2.5143	-0.7652	0.971	1.2721	-0.5343	3.0971	0.1691	-0.0609	-0.07	-0.0925	-0.0507	0.4106	0.0132	-0.2385	-0.0685	0.5263	0.1215	-0.0123	0.6308	-0.0255	0.5992	-1.499	99.7146	483.3345
11	2.9119	4.2514	-0.1938	6.1678	-0.9595	-0.1818	0.0776	-0.1665	-0.7925	0.0371	-0.1985	-0.0451	0.2718	-0.0413	-0.1038	1.0543	0.0544	-0.1776	1.2862	0.2133	1.6251	-35.2885	74.8136	470.2405
12	3.9103	-1.0505	0.9199	1.82	-1.1409	3.8523	0.125	0.062	0.2584	-0.0896	0.0301	0.2879	-0.4262	-0.5521	-0.1397	0.4814	0.1773	0.1099	0.5503	0.0509	0.7035	-4.3524	107.7657	488.102
13	0.7489	-0.2001	-0.6529	1.8576	0.5474	3.8213	-0.1494	0.0818	0.0816	-0.1883	0.1003	0.278	0.1197	-0.439	0.0105	0.5536	0.1757	-0.0835	0.8215	0.1146	0.6307	-2.8645	101.0476	445.0744
14	6.0941	4.682	-0.1503	4.1908	-2.0622	3.0689	0.2698	-0.1982	0.0785	0.36	0.0925	0.7649	0.2747	-0.2608	-0.3437	1.1508	-0.0473	0.0485	1.071	0.1647	1.5042	-28.7571	68.1294	433.1462
15	3.1086	0.1714	0.0514	1.3096	-0.5887	2.7114	-0.0465	0.5548	0.3459	-0.2714	0.1236	0.2445	-0.1746	-0.4111	-0.0427	0.6578	0.2281	-0.1194	0.8842	0.1048	0.6169	-6.1659	110.2348	442.8643
16	1.3692	0.4702	0.5422	1.1978	-0.3459	1.2099	-0.0274	-0.1543	-0.587	-0.2046	0.0466	-0.1115	0.3686	-0.3617	0.0041	0.8127	0.0359	0.0865	0.8284	-0.0054	0.707	37.0854	43.0645	431.497
17	5.083	4.1866	0.3122	3.1799	-0.4133	0.8848	-0.0183	0.1812	-0.0382	-0.3393	0.4616	0.3246	0.1338	-0.8382	-0.3235	1.1085	0.0779	-0.0958	1.1772	0.0546	1.1041	25.6113	23.9913	432.0744
18	4.1899	-2.1358	-0.0088	2.7718	0.3417	1.5296	0.1531	0.989	-0.0362	-0.4468	-0.212	-0.3534	0.2833	0.1543	0.0509	0.6993	0.0307	0.1786	0.7259	-0.0056	0.4645	50.8446	58.2663	416.9497
19	1.708	-0.8323	0.0311	1.9411	-0.0959	2.5211	-0.2999	0.1208	0.029	-0.1022	0.2651	0.1433	0.2	-0.2992	0.0436	0.64	-0.0673	-0.017	0.7053	0.123	0.4798	17.2415	81.693	420.9411
20	5.2716	4.056	0.5061	6.4003	-0.6348	1.7569	0.2854	-0.3725	0.5931	0.144	-0.2245	0.2484	-0.3602	-0.0426	-0.0839	0.8932	-0.1729	-0.0161	0.8843	-0.2158	0.7192	-3.3889	42.5338	418.3692
21	2.2943	-0.1208	-0.2801	1.5609	0.9255	2.4603	-0.1314	0.3933	-0.0632	-0.2877	0.0594	0.0287	0.0265	-0.2803	0.0664	0.6958	-0.0137	-0.1143	0.8588	0.083	0.3915	17.7875	84.2936	412.5424
22	4.6094	2.7616	6.016	6.437	1.7765	9.5751	-0.1915	0.665	1.6918	0.1437	0.1875	0.877	-2.3521	0.0172	-0.0096	1.2293	-0.1836	0.0582	0.9037	-0.0408	0.6958	-41.6947	25.0106	484.9209
23	5.8146	-0.6159	4.5015	0.0591	-0.4654	3.8939	0.1492	1.6086	1.3376	1.4342	-0.169	-2.8618	0.1994	0.5854	0.4782	1.7382	-0.3345	-0.0699	1.1663	-0.0901	2.1228	-21.0053	25.1757	498.3118
24	4.3857	2.411	4.1817	8.3576	5.1474	5.9136	-0.3102	1.1434	0.3525	-0.4657	1.2516	-1.8931	-1.5359	2.7796	-0.8954	1.3648	-0.479	-0.1122	1.4565	-0.0929	1.2493	-24.6806	25.0273	492.7882
25	5.7461	0.5076	-6.9461	2.6856	0.831	9.2883	0.5414	-1.0412	0.3891	-0.2261	-0.6982	-0.0008	-0.4718	-0.5329	-0.521	1.1951	-0.2187	-0.1167	0.5565	0.0196	1.0952	-43.4793	14.6703	476.3806
26	8.2898	2.3452	2.5256	5.2062	1.8108	7.4381	-0.6307	0.7859	-0.5443	-1.1542	0.9028	0.9952	0.0218	1.403	-0.2686	1.1402	-0.1702	-0.0819	1.0147	0.2305	0.9123	-36.5044	16.6703	482.2504
27	3.0136	0.5756	1.6455	2.6905	3.2275	4.3868	0.4072	-0.5715	0.2411	-1.1469	-0.1705	0.4854	-1.2534	1.1811	-0.0718	1.1995	-0.1835	-0.0507	1.138	0.1223	0.6947	-34.5304	25.1795	487.0138
28	3.4999	-2.8684	-2.1038	5.8256	0.2441	2.9533	1.3964	-1.3784	0.5889	1.2059	-0.487	-0.8515	-1.7025	0.9055	-0.4226	1.0743	-0.0921	-0.2875	1.1001	0.0288	0.9048	-25.0866	8.5183	487.3452
29	2.4764	-1.4493	1.6351	1.5892	1.398	7.8684	0.6915	-2.4387	-0.7274	1.0991	-0.3333	-1.3693	0.5551	2.1156	0.7291	1.552	-0.1912	-0.291	2.2283	0.2904	1.647	-0.1807	2.3965	486.0513
30	4.7498	-0.5591	3.943	7.77	-3.1273	4.4262	-0.0689	-2.2714	-1.4788	1.6043	-0.9954	-1.754	0.3269	0.9288	0.7061	1.574	-0.229	0.2017	3.1013	0.7682	1.4874	7.3443	2.7329	484.7747
31	8.3961	-2.4602	-0.163	0.7393	0.0127	0.055	0.106	-1.3609	1.2286	1.5744	-0.9868	-1.4241	-0.1647	1.5111	0.3456	1.07	-0.3483	-0.13	1.857	0.0476	1.3449	-4.1408	11.1912	482.4054
32	1.7704	-3.1285	0.559	6.5053	0.7963	6.8541	-1.7556	1.2121	-0.0002	1.0152	0.6632	-0.7513	0.3624	0.413	0.9867	0.6529	-0.1518	0.0341	1.0569	0.0345	0.9284	-24.4173	3.375	482.9683
33	5.1029	-0.0138	5.7849	8.7437	3.7912	8.6547	-1.0885	2.2559	0.7003	1.0931	-0.9274	0.217	-0.9225	1.1407	1.6058	1.0038	-0.1988	-0.1998	1.273	-0.2485	0.8066	-40.1136	3.5108	472.197
34	9.043	-0.1468	-2.5136	4.1026	1.7112	4.3613	-0.7483	1.0166	0.3377	-0.6573	0.3949	0.0166	0.0317	0.9647	0.1105	1.0003	0.0274	-0.0062	0.9109	0.0458	0.959	-21.2806	3.8033	479.8966
35	9.2724	-5.8943	-6.8459	4.3875	4.9981	6.97	0.0746	0.2053	1.0724	0.7663	-0.3801	-1.0149	0.7437	0.374	-0.0006	1.0472	-0.196	-0.1014	1.6583	0.2329	0.7466	-18.3484	7.9283	484.9554
36	4.46	-0.3124	-2.9815	7.8456	-2.114	3.2626	-0.4116	1.3816	-0.7162	0.3461	0.1533	-1.1158	-0.2008	0.7499	0.3538	0.9933	-0.1844	-0.1058	1.3834	-0.1109	1.2985	-10.3723	-3.083	467.8391
37	6.0329	3.9635	-6.2815	2.6052	-4.1345	6.5437	-1.8463	2.0036	-1.4744	-0.744	-1.2276	0.4662	0.2671	-2.3716	2.7767	2.041	-1.4119	-1.5037	2.5415	0.7862	3.3282	6.0315	0.719	448.0733
38	5.8834	1.2976	-2.4217	2.8873	-1.5429	4.3339	-0.2712	-0.1404	1.3159	0.4809	0.2751	-0.1907	0.779	1.6408	0.3856	0.9859	-0.0103	0.1566	1.5586	-0.094	1.4209	-10.4266	-0.5625	461.483
39	3.3231	-3.6729	2.9232	6.0542	-1.3985	4.1963	-0.5313	-0.2579	0.2817	-0.3206	0.1923	0.2767	-1.3486	-0.7498	0.5764	1.1372	-0.4672	-0.5791	2.5532	-0.346	1.3813	-36.0652	-1.0408	465.9589
40	3.9916	4.5531	-0.5031	8.0449	-3.868	4.0183	0.3583	1.0364	0.0142	-0.3026	-0.657	-0.4772	-1.0284	1.8804	0.3738	1.2482	-0.2404	0.0777	1.3157	-0.0606	1.1123	-15.9831	-1.9557	460.5598
41	3.6581	1.022	4.8012	4.3843	0.4371	7.1897	0.9112	-0.8717	0.7537	0.0385	-0.4774	-0.7674	0.7145	0.8624	-0.5011	1.0378	-0.1782	0.2855	1.5223	-0.0185	1.3765	-10.0634	-1.0639	464.7556
42	9.5407	6.3283	4.5945	5.2492	3.682	2.7862	-0.7216	-0.003	1.1864	-0.7328	0.5041	0.3973	-0.7013	0.1223	0.3434	1.7332	0.1279	-0.1407	0.879	0.037	1.1382	-51.907	33.7408	465.6574
43	4.1192	3.7787	5.441	4.802	4.8049	7.1587	1.8088	1.2689	-1.9954	0.9321	-1.3897	-1.7828	1.2986	1.5372	-0.6049	1.49	0.0642	-0.1149	1.8519	-0.2329	2.5862	-43.6418	45.6195	485.8584
44	7.1071	2.3502	2.1507	8.6668	6.0189	4.3628	-0.6032	-0.83	0.7499	-0.287	0.3647	-0.1412	-0.8156	-0.2945	0.3516	1.2821	0.1042	-0.1576	1.2806	0.0151	0.9813	-46.4235	31.416	473.9596
45	1.4498	-0.0669	1.2691	2.2161	3.2963	8.5236	0.557	-0.7582	1.4423	-0.2571	1.317	-2.5074	-1.7707	-0.3074	-1.4453	2.5133	-0.295	0.2713	0.4693	-0.0692	2.4888	-48.7186	44.1506	464.1896
46	8.4395	0.6759	-4.4676	3.0022	-3.4285	5.8307	0.3478	-0.4131	0.998	-0.6745	-0.767	1.9695	-2.0899	1.5261	0.6684	1.7971	-0.093	-0.5666	0.9245	-0.1192	1.2493	-46.7677	33.1761	474.0768
47	4.6177	-1.6947	-2.1316	4.1734	5.1632	6.2763	0.1781	1.8396	0.3844	-0.434	-0.1368	-0.6532	-0.4033	-0.5952	0.171	1.7462	-0.3788	-0.341	1.1713	0.2153	1.0457	-47.1342	28.6095	443.2979
48	6.9508	-1.3526	-2.684	9.8485	6.8869	5.248	0.7507	-0.5905	1.0751	-0.9111	-0.4141	-0.8986	-0.7479	0.0319	-0.844	1.9343	-0.0298	-0.0147	1.1885	0.0625	1.9554	-47.9741	51.1419	454.9434
49	6.213	1.4782	-2.1252	1.401	2.04	7.128	-0.8102	0.2948	-0.8841	0.0568	-0.3133	-0.8205	-0.688	-1.5394	0.7429	1.4147	-0.2566	0.0456	1.5746	0.1219	0.9205	-48.8984	19.9719	450.6649
50	2.212	0.5272	-3.1254	4.5546	0.1067	3.7541	0.0592	0.035	0.8724	-0.1453	-0.0949	0.1362	-1.3491	0.1527	0.3922	1.6914	-0.1739	-0.3783	1.3612	0.1274	1.1933	-47.2985	32.2575	449.7296
51	0.3221	0.8071	1.544	2.9727	2.3047	8.8496	-0.734	1.5078	1.6575	-0.0013	1.344	-0.6097	0.2088	0.0412	-0.5824	1.295	-0.3648	0.2349	1.4018	0.3163	1.1238	-16.773	-1.9575	446.7565
52	8.6442	4.3228	-5.3643	3.2174	-1.741	3.9129	-0.6171	-1.0092	-1.459	0.4533	-0.3329	0.4344	-0.6575	-1.004	0.6806	1.2719	-0.2783	-0.1768	1.1148	-0.1894	1.7868	-11.5723	16.0435	426.272
53	5.4884	5.5625	-5.5606	5.3661	-5.738	6.2654	0.7729	-0.414	0.5922	-0.489	-0.0751	-0.1104	-0.0372	0.3622	-0.9035	1.3035	-0.3326	0.1874	1.2925	0.0848	1.2333	-19.557	5.3609	441.972
54	3.8983	-1.5208	-2.536	0.5874	0.9534	1.954	-0.3942	-0.2586	0.0836	0.0372	-0.3197	0.6079	-2.5029	0.0141	0.0066	1.086	-0.1098	-0.1615	1.5169	0.025	1.0576	-35.5293	-0.8734	455.7649
55	3.3378	-3.8901	0.5046	9.6534	-4.9856	5.6043	0.8693	0.427	0.8856	0.2821	-1.5241	-1.5122	1.022	0.1971	0.76	1.3297	-0.3873	0.0259	1.4134	0.1457	1.0864	-22.1989	5.2107	441.7315
56	3.2659	-2.5376	1.7923	6.323	-3.0778	2.3477	-0.3158	1.5936	-0.1154	-0.6257	-0.6647	-1.7214	-0.5205	1.5119	1.2296	1.1151	-0.2914	0.2391	1.6899	0.4495	1.2356	-16.0223	3.5377	442.1313
57	8.7345	2.824	-5.8713	4.6121	-6.1391	9.0287	-1.17	1.5407	-0.8894	0.0568	0.4138	-1.3795	-0.0887	1.9447	1.2922	1.2357	-0.4858	0.157	1.3093	0.1407	1.0216	-31.1943	12.288	435.1533
58	9.1167	3.6467	-2.9474	5.2346	-4.5466	3.9178	0.1443	-0.3269	0.456	-2.8788	-1.7102	1.0894	2.9155	-0.408	0.972	1.7527	0.0933	-0.1829	1.5375	-0.386	1.8979	-34.9307	37.737	429.0192
59	2.3043	-1.5143	1.0464	3.896	-3.6083	3.473	0.8842	-1.0075	0.4943	2.0474	-2.3626	-1.3865	-1.4809	2.298	1.6609	1.857	-0.5436	-0.1735	1.9331	-0.1944	1.5609	-30.62	39.4469	432.0776
60	2.671	-1.0019	-2.3467	1.5411	3.3712	7.6012	-0.35	2.2028	0.363	0.2415	-1.0838	0.4955	-0.9154	0.4221	0.1252	1.3101	-0.3645	-0.1564	1.1332	0.4039	1.0354	-36.9604	14.6678	437.1499
61	8.7379	3.0983	6.2273	1.484	2.3588	4.5861	-0.748	-0.6853	-1.6467	0.8873	0.063	0.268	-0.87	-0.0399	-0.4938	1.1021	-0.0417	-0.0008	1.902	0.5367	1.3199	-41.7397	6.7259	448.021
62	8.4597	0.5124	3.3121	6.0964	3.3052	9.6544	-1.1672	1.6448	0.4213	0.7795	0.2494	-0.5804	-1.616	0.274	0.717	1.6168	-0.7858	-0.3816	2.2567	0.227	0.8877	-35.3892	21.7163	438.3389
63	5.5928	-2.8874	-2.1371	5.9178	1.5144	4.0941	0.0938	0.3208	-0.3766	-0.6997	-0.3528	-0.6834	-0.1944	-0.0387	0.3092	1.6137	-0.664	-0.3821	1.2904	0.2966	1.1506	-31.8729	19.86	435.1903
64	1.9239	-0.0077	-1.213	1.721	0.2299	1.8861	-0.2053	0.0304	0.3796	-0.25	0.2586	-0.1382	-0.0135	0.1616	-0.035	0.5675	0.0307	-0.0515	0.6488	-0.0676	0.5044	52.4542	115.9742	421.1735
65	5.7605	-0.1882	-3.5973	5.568	1.3328	5.0073	0.7953	0.1569	0.4215	0.5112	-0.7423	-0.3511	-0.1411	0.5914	0.0089	1.0634	-0.4037	0.2084	1.9437	-0.0108	1.5356	75.2736	152.3794	423.7752
66	2.7126	-0.7262	-0.6025	2.773	-0.5434	0.9082	-0.0622	0.2926	0.4036	-0.2319	0.1728	-0.1331	0.0764	0.022	-0.1413	0.659	-0.0634	0.0275	0.6723	-0.0063	0.3962	51.0284	112.1346	412.7829
67	1.9995	-0.5395	0.0651	2.2709	-0.7918	2.3715	-0.2817	-0.1317	-0.2055	-0.239	0.1942	-0.4479	-0.2288	0.2217	0.0373	0.6081	0.0459	0.1968	0.6243	-0.0636	0.698	77.9296	86.2309	429.2939
68	6.4515	2.1608	-0.554	5.0364	0.8741	3.4969	0.1163	-0.1457	0.5999	1.0378	-0.4662	-0.6837	-0.0489	-0.0331	0.181	1.492	-0.3566	-0.0761	1.24	0.1706	1.3877	100.5988	127.0512	423.65
69	2.4159	-0.3407	0.0714	1.2233	-1.257	2.7549	-0.1062	0.1467	0.0809	-0.2197	-0.1501	-0.4298	-0.0318	0.3629	0.2756	0.7593	0.0546	0.3142	0.5984	-0.0822	0.7994	84.0318	83.6764	424.37
70	1.6524	0.2506	-0.8532	1.206	0.4292	3.6959	-0.0504	-0.1759	-0.2746	-0.1109	0.0673	-0.6544	-0.3212	0.2936	0.0969	0.6202	0.176	0.07	0.8386	0.1155	0.9109	89.0043	74.992	463.735
71	5.8617	4.9966	-0.1945	6.895	4.1598	1.6289	-0.0432	-0.1037	0.5233	0.3598	-0.1304	-0.0757	-0.7107	-0.1052	0.0831	1.369	-0.0304	-0.3638	1.079	0.0521	1.6174	117.7681	104.3398	452.3549
72	2.0418	-0.0559	-0.9901	1.3734	1.3438	3.6295	0.0119	0.0632	-0.4058	-0.0133	0.041	-0.4641	0.4485	0.6223	-0.0879	0.5171	0.2446	0.0347	0.8161	0.0505	1.1554	91.0129	64.8741	466.5049
73	2.135	-0.8649	-1.0143	1.4702	0.5177	3.041	0.0981	0.0872	0.4079	-0.223	0.0656	0.0345	-0.2375	-0.1068	-0.0904	0.6018	0.1364	-0.0171	0.6476	0.0597	0.5925	29.5769	130.9709	441.8869
74	5.7256	5.1856	-0.3446	6.692	0.1691	-0.7612	-0.3437	0.0438	-0.8005	-0.6415	0.0678	-1.2899	0.0117	0.4366	0.07	1.074	0.0329	0.3383	1.3943	-0.0162	1.5321	53.9467	165.046	455.0771
75	2.034	-1.2274	-1.5081	2.6662	0.3567	2.3902	0.0362	0.2938	0.1835	-0.0098	0.1426	0.2566	-0.375	-0.5018	-0.1989	0.6643	0.1725	-0.0761	0.7344	0.1101	0.6246	21.5476	133.7073	437.1233
76	2.0003	0.0054	0.6649	1.2345	-0.4906	2.182	0.2413	0.0645	0.5642	0.1569	-0.2418	0.0517	-0.2991	0.3424	0.0067	0.6681	0.0783	0.1151	0.6396	-0.0198	0.6079	32.5479	135.0776	483.0291
77	5.6003	4.3102	-0.3022	8.2727	0.335	3.1203	-0.0726	-0.0904	0.5036	-0.265	0.3538	0.8342	-0.1751	0.2688	-0.1778	0.9481	-0.0347	0.1977	1.5582	0.1403	1.4222	61.7349	161.3312	490.1165
78	0.6855	-0.1001	-0.4726	2.7024	0.5337	4.2556	0.2363	0.0072	0.3198	0.3022	-0.0914	0.3423	-0.3028	-0.0222	-0.0621	0.6731	0.1177	0.1575	0.5413	-0.0402	0.7231	20.586	136.0943	483.3512
79	0.7542	-0.1642	-0.6284	1.9787	0.6659	2.1452	0.0518	-0.1412	0.0492	0.0095	-0.1347	-0.7941	-0.0578	0.3356	0.098	0.6287	-0.0094	-0.0586	0.7762	0.1665	0.7541	80.0904	88.4185	495.827
80	2.9586	2.7288	0.1627	8.0271	3.1353	6.1726	0.2764	0.2252	0.1222	-0.4707	0.2306	-1.0387	-0.9867	0.4707	-0.5809	1.2945	-0.2099	0.1566	1.0485	-0.1541	1.4542	115.5245	114.2596	488.3306
81	0.8758	0.6396	0.788	4.2732	5.1133	6.6746	0.6343	-0.0254	0.4506	0.9584	-0.8955	1.0752	-0.2627	-0.8775	0.2494	1.3274	-0.0788	0.2985	1.3326	-0.0531	1.5749	99.5205	101.5511	500.073
82	3.4149	-2.4311	-0.3262	3.7323	0.9354	-0.2293	-0.1602	-0.1056	-0.3037	0.6064	0.1689	-0.1326	0.2339	0.2503	-0.0326	0.6677	0.009	-0.1674	0.7296	0.1904	0.5725	74.8079	80.6365	505.8665
83	3.2442	-1.5268	0.6791	2.528	-0.229	2.9949	0.1898	0.0181	0.0615	0.1333	-0.3399	0.0702	-0.1483	0.1798	0.1207	0.528	-0.1005	0.054	0.56	-0.025	0.4276	44.3289	112.0841	502.2541
84	4.6798	4.5246	-0.0517	4.6857	0.1092	1.2416	-0.1682	-0.3273	0.2666	-0.1649	0.1886	0.6278	-0.0309	-0.3751	-0.0306	0.8119	-0.1712	-0.2106	1.0791	-0.0064	0.8635	83.9884	131.42	508.3225
85	2.0183	-0.423	1.7336	2.2954	-1.0767	4.313	0.1535	-0.1415	0.0503	0.5206	-0.0598	-0.0156	-0.4712	0.2586	-0.0816	0.6307	-0.1036	0.1418	0.6362	-0.0713	0.4319	42.9359	112.1187	512.854
86	1.3293	-0.6682	-1.1873	4.9437	-0.1345	1.2018	0.2554	-1.0116	1.1544	0.8088	0.836	-0.427	-0.6822	-0.6601	-0.4446	1.1316	0.0754	-0.2355	0.7437	-0.1797	0.8809	104.7599	176.1811	442.6747
87	8.324	-1.4876	-0.4605	7.3722	3.4026	3.7855	0.2527	0.8382	-1.3931	0.6593	-0.2229	0.9307	1.5651	-2.3215	-0.1246	0.8975	-0.4399	0.003	1.2695	-0.0461	0.5258	103.886	166.3258	438.4501
88	5.4787	-3.6089	6.3267	5.8232	-1.3009	9.6688	-0.3177	1.3572	-2.4432	3.5414	0.6448	1.3577	0.0298	-1.9018	-0.2026	1.5179	-0.3805	-0.0397	1.8899	0.5254	1.9203	103.8562	151.7659	426.9482
89	5.3138	2.239	2.7398	8.2404	3.7427	3.6497	1.2524	0.2217	-1.746	0.4649	-0.9565	0.0657	1.6845	-1.2498	-0.789	1.3417	-0.3954	-0.112	1.3392	-0.1614	1.2274	106.1898	159.4733	435.4413
90	1.6895	3.9519	0.0559	9.5716	0.3889	0.2208	0.0202	-0.161	-0.0122	1.3927	0.0229	-0.2801	-0.9033	-0.3613	-0.8953	1.0214	-0.196	-0.2054	1.6512	-0.6987	1.8032	118.9939	176.8689	454.9166
91	7.1906	1.7332	2.868	9.3299	2.6264	3.4719	0.1384	-0.8739	-0.0063	0.0134	-0.1123	0.3529	0.5336	-0.5684	0.1136	0.9813	-0.0847	0.1496	1.1761	-0.047	0.7629	106.9249	165.1926	439.2946
92	4.6446	-3.7369	-0.5825	3.8094	2.3355	3.4815	0.016	0.6647	0.5367	0.4673	-0.4128	-0.6706	1.509	-1.1093	0.3782	1.0148	-0.0976	0.0904	0.751	-0.0526	0.7105	121.0278	155.7051	439.1787
93	0.0639	-0.0912	-0.015	0.3206	-0.2631	0.3149	-0.4372	-0.0894	-1.2286	0.8567	-0.4886	-0.2182	0.0009	0.3261	1.2823	1.952	-0.3734	0.1144	1.9379	0.1172	1.3761	126.7359	130.6741	439.8436
94	0.5392	-1.6792	-0.9471	5.0957	2.8805	1.6121	-0.8779	-0.1231	-1.2734	1.0009	-0.7385	0.8908	-0.6088	-0.033	1.2483	1.2997	-0.25	0.2652	1.5271	-0.0355	1.322	121.8113	129.7048	442.7189
95	2.3152	0.851	2.0058	9.3936	5.1052	3.7114	-0.233	0.535	-0.0876	0.8127	0.1702	0.1872	0.5531	0.0452	-0.1432	1.2503	0.0091	0.0927	0.8315	0.1028	0.8269	125.7166	154.952	442.3305
96	8.1839	-1.3197	5.0513	2.5842	0.5901	3.9444	-1.1464	-0.5322	0.193	0.3665	0.4906	1.4519	1.0766	-0.3442	1.0108	1.3961	0.0619	-0.0883	1.5486	-0.3624	1.7619	125.5053	170.659	453.294
97	9.5348	0.917	3.8807	4.0659	-3.4576	5.6333	-0.1659	0.1411	-0.9696	-1.1625	0.5019	0.7968	1.3501	0.7708	-0.0429	1.3786	-0.1031	0.025	1.3026	-0.0197	0.8052	129.9221	162.1323	447.3663
98	5.1529	1.1273	4.0163	2.2484	3.3013	9.2186	0.7978	0.2656	0.4483	0.6166	-0.0299	0.9566	1.1166	0.0014	-0.2851	1.2918	-0.1365	0.2178	1.0349	0.0737	0.9543	123.6256	148.5292	444.943
99	9.8534	-5.5187	-1.1501	9.7854	-6.4963	7.8238	0.2036	0.9605	-1.2061	-1.8723	-1.6381	2.2707	3.176	-1.0612	1.0239	1.7195	-0.6902	0.0529	1.0537	0.0461	1.3758	113.9384	149.1638	432.777
100	4.4293	-5.4746	1.7152	6.9508	-2.7507	7.7243	-1.1199	0.5047	-1.403	0.7241	-0.6587	0.5853	1.5945	-0.0439	0.0601	1.9487	0.0634	0.5458	0.6859	0.2843	0.6733	124.5295	148.7771	443.8778
101	2.2637	0.3914	2.3374	7.662	-2.3294	4.6191	0.1982	0.6714	-1.3436	1.2151	-0.7844	1.0059	0.9465	-0.7037	0.8665	1.2118	-0.036	0.1334	0.922	0.0334	0.8983	132.7609	144.8742	455.2704
102	5.2507	4.0669	-1.2693	7.5549	-3.3989	2.7336	0.9487	-0.1384	-0.7289	2.1243	-1.7621	0.3275	3.4426	-1.3545	0.5985	2.9084	-0.0327	-0.7879	1.7175	-1.0459	3.4604	130.1146	127.872	472.1061
103	4.5995	0.5381	-1.863	4.5305	-1.7996	7.5679	-0.2373	0.0941	-1.0973	-0.4881	-0.4441	-1.0058	1.2199	0.862	0.5439	1.2925	0.1573	-0.0828	0.9604	0.0525	1.0755	132.0339	145.1761	465.1711
104	6.7692	4.8578	4.4837	8.4417	5.3572	3.8145	0.5837	-0.5241	-0.6541	-0.8323	0.5315	0.5104	1.8077	0.0745	-0.4971	1.7276	-0.0611	0.0527	1.1255	0.3503	1.3498	127.8783	141.1231	461.3181
105	1.9772	2.6615	1.8316	9.6038	-2.3079	5.6434	-0.2348	1.6826	-1.216	1.1008	-0.2353	1.2937	-1.0231	0.2648	0.1588	0.8293	0.118	-0.0474	1.5745	-0.3134	1.1373	95.0623	182.3922	459.4711
106	6.6204	6.8701	5.3282	8.853	4.062	7.749	-1.9823	-1.6952	-2.5953	0.3945	1.0106	-0.9815	2.3466	0.5519	0.5865	1.8951	0.218	-0.311	1.4489	-0.0181	2.1533	82.6119	174.047	439.1986
107	2.6936	0.0105	3.2654	2.2993	2.1026	5.9424	1.3938	0.5849	-1.0758	-2.4159	-0.8176	0.8616	0.4227	-1.5494	-0.1813	1.9118	0.1414	-0.2022	1.634	0.0606	1.7336	79.3703	169.6037	433.9761
108	5.9361	-0.6957	3.2982	5.3402	2.1611	4.8827	0.7323	-0.1158	-0.6912	0.264	-0.2545	0.2732	-0.3877	-2.2153	-0.4432	1.1908	-0.1867	-0.148	1.3202	-0.0659	1.1233	94.1451	177.1365	451.9629
109	5.6034	5.3651	-0.2163	7.5225	3.6072	6.2241	-0.3451	0.0487	-0.3979	-0.0109	-0.0695	0.5788	0.4772	-0.3404	-0.3716	0.5341	0.1312	-0.0753	2.8858	0.2221	1.064	116.9197	179.4179	462.772
110	2.2851	1.3181	1.8413	5.4207	4.9685	5.077	0.8327	-1.3341	-0.2597	0.6245	-1.6075	1.0797	0.0866	-1.878	0.6659	1.0892	-0.0446	0.0624	1.4831	-0.1821	1.1403	99.4531	177.8496	452.03
111	8.8367	-0.0111	-3.2288	4.4396	1.2913	7.5436	-0.205	-0.6808	0.5098	-0.3991	-0.2727	1.834	-0.1352	-1.4667	0.437	0.8982	0.0622	-0.0246	1.8684	-0.5527	1.2249	92.0343	177.4475	454.6907
112	6.5813	-1.5358	4.8651	6.3159	-3.0652	4.1562	-0.9238	-0.4519	-0.767	1.1692	0.2482	1.7067	-1.1429	-1.0859	0.7233	1.1735	-0.1237	0.3824	1.8717	-0.3349	1.2933	91.738	178.6203	477.8796
113	1.8432	2.0893	1.5535	7.5937	-0.7255	7.8752	2.0692	1.8802	-0.369	1.1735	-0.8812	-0.251	-0.597	0.7171	-0.8081	0.971	-0.2261	0.2057	1.6689	-0.3326	3.1417	78.1553	175.9362	470.2018
114	5.0383	2.4983	-0.4498	7.0649	-2.6254	7.9177	0.3883	-0.6085	-0.5622	0.5677	-0.4506	0.5552	0.3729	-1.4757	-0.0766	0.9433	-0.1345	0.026	1.4471	-0.0638	0.9665	99.5928	178.0542	475.3587
115	2.0714	0.2747	1.353	2.8047	-2.5472	6.1309	1.1419	1.0337	-1.2364	-0.105	-0.2491	0.7681	-0.0179	-0.2663	-0.8665	1.2664	-0.1548	0.0839	1.196	0.0761	1.0121	131.0357	147.6484	478.6862
116	2.0128	2.1636	-3.2177	4.0788	-6.0492	9.0131	1.0309	0.1062	1.971	1.2718	-0.6302	-1.2269	-0.2412	-0.6821	-1.3617	1.2338	-0.419	-0.1056	1.0111	-0.0017	1.536	113.1685	142.8596	499.0436
117	5.2205	4.7144	-5.716	4.0447	-5.0525	6.1062	0.8951	1.7153	0.9911	0.5538	-0.348	0.4195	-0.5164	-0.4351	-0.6125	0.9558	-0.0709	0.2215	1.4185	0.0808	1.0335	120.9028	145.9786	488.8799
118	6.648	7.0143	-3.9804	9.5489	-2.2875	4.072	0.541	-0.2492	0.649	-0.1884	-0.1657	1.2553	-1.1589	0.061	-0.4616	0.8737	-0.2628	0.103	1.2264	-0.0423	0.7786	129.7739	160.2105	472.1144
119	0.065	0.0106	-0.0502	0.1008	-0.0641	0.0993	0.3624	0.1371	0.7643	0.5313	-0.3206	-0.5888	-0.6616	-0.409	-0.1105	1.5259	0.0095	0.475	1.0997	-0.1008	0.9395	131.6371	166.1068	469.6053
120	2.9782	3.4288	-4.5085	9.1669	-4.3027	7.4286	-1.1347	-0.1953	-1.579	-0.4108	0.9123	0.767	-0.411	0.0966	0.3521	1.078	-0.2014	0.1631	1.3978	0.0156	1.2568	123.8861	153.0208	483.9664
121	8.7339	-1.0676	-3.3317	9.4743	3.4598	2.303	0.12	-1.197	1.7434	1.5423	-0.2787	0.4425	0.7597	0.1307	0.1392	1.6115	-0.3173	0.2536	1.0871	-0.1291	1.738	128.8895	136.802	480.6639
122	4.112	-4.4382	2.8919	9.2482	2.3435	8.964	0.0809	-0.7857	-0.9242	0.6201	-1.3512	-0.4008	0.9666	-0.3013	1.0995	1.0807	-0.4234	0.2284	1.2506	0.3422	1.1203	124.2672	151.0483	484.7493
123	4.539	4.2539	-3.8711	8.4934	-3.3298	3.5169	-0.231	0.4934	-1.5184	1.72	-0.1528	-1.0615	0.9901	-0.668	0.5144	1.2733	-0.4975	-0.0089	1.3857	0.1598	0.5855	116.6089	161.9442	490.1344
124	9.7232	-8.6217	-3.9467	7.7076	3.6044	2.0939	0.8139	1.751	-0.4422	-2.0488	-2.517	2.9614	0.4866	-0.8546	2.0764	2.1526	-0.2609	0.1881	2.0371	-0.4427	1.8923	91.115	165.9394	496.9534
125	8.9913	-0.5309	-8.1336	0.3556	0.2902	7.8455	-0.5169	0.676	0.3995	-0.8916	0.1875	1.4156	0.5981	0.3104	0.2962	2.1638	-0.89	-0.7419	1.4308	-0.0352	1.3878	89.1118	161.604	492.7413
126	4.8186	0.1872	4.4637	5.6626	-3.7334	6.881	-1.1462	-0.4745	0.9646	0.749	0.3167	0.1487	0.8644	-0.3211	0.3609	1.2209	-0.2253	0.1324	1.0948	-0.142	0.6978	114.2091	167.6378	487.9793
127	4.2463	0.827	-2.7707	4.0498	-2.5188	3.1292	-0.1373	0.5383	-0.8449	-0.6906	-0.7024	0.2567	1.3656	-0.5047	0.924	1.758	-0.2311	0.1462	1.4031	0.0033	1.8742	124.3667	170.8135	471.6226
128	3.9271	2.5181	-3.1271	3.6726	-4.3265	6.2247	0.7609	-0.6375	-1.0614	0.3754	-1.1981	0.0678	-0.1363	-1.2138	-0.2173	1.4197	-0.4767	0.0996	1.4367	-0.4655	0.9238	110.1772	167.9054	485.9661
129	9.3153	-0.7287	-1.5545	9.5671	-5.1605	6.7676	0.0795	-0.6331	-0.8981	0.41	-0.1835	0.046	0.7157	-1.2374	0.2034	1.1598	-0.4456	0.0893	1.284	-0.3865	1.0277	109.0963	162.3565	490.119

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'G' and (resid 2 through 179 )
2	X-RAY DIFFRACTION	2	chain 'G' and (resid 180 through 385 )
3	X-RAY DIFFRACTION	3	chain 'G' and (resid 386 through 525 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 2 through 212 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 213 through 353 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 354 through 525 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 2 through 212 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 213 through 357 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 358 through 525 )
10	X-RAY DIFFRACTION	10	chain 'F' and (resid 2 through 179 )
11	X-RAY DIFFRACTION	11	chain 'F' and (resid 180 through 385 )
12	X-RAY DIFFRACTION	12	chain 'F' and (resid 386 through 525 )
13	X-RAY DIFFRACTION	13	chain 'E' and (resid 2 through 185 )
14	X-RAY DIFFRACTION	14	chain 'E' and (resid 186 through 385 )
15	X-RAY DIFFRACTION	15	chain 'E' and (resid 386 through 525 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 2 through 255 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 256 through 409 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 410 through 525 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 2 through 179 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 180 through 372 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 373 through 525 )
22	X-RAY DIFFRACTION	22	chain 'O' and (resid 1 through 14 )
23	X-RAY DIFFRACTION	23	chain 'O' and (resid 15 through 24 )
24	X-RAY DIFFRACTION	24	chain 'O' and (resid 25 through 43 )
25	X-RAY DIFFRACTION	25	chain 'O' and (resid 44 through 49 )
26	X-RAY DIFFRACTION	26	chain 'O' and (resid 50 through 73 )
27	X-RAY DIFFRACTION	27	chain 'O' and (resid 74 through 97 )
28	X-RAY DIFFRACTION	28	chain 'P' and (resid 1 through 14 )
29	X-RAY DIFFRACTION	29	chain 'P' and (resid 15 through 24 )
30	X-RAY DIFFRACTION	30	chain 'P' and (resid 25 through 29 )
31	X-RAY DIFFRACTION	31	chain 'P' and (resid 30 through 36 )
32	X-RAY DIFFRACTION	32	chain 'P' and (resid 37 through 48 )
33	X-RAY DIFFRACTION	33	chain 'P' and (resid 49 through 53 )
34	X-RAY DIFFRACTION	34	chain 'P' and (resid 54 through 73 )
35	X-RAY DIFFRACTION	35	chain 'P' and (resid 74 through 97 )
36	X-RAY DIFFRACTION	36	chain 'Q' and (resid 1 through 18 )
37	X-RAY DIFFRACTION	37	chain 'Q' and (resid 19 through 28 )
38	X-RAY DIFFRACTION	38	chain 'Q' and (resid 29 through 48 )
39	X-RAY DIFFRACTION	39	chain 'Q' and (resid 49 through 53 )
40	X-RAY DIFFRACTION	40	chain 'Q' and (resid 54 through 73 )
41	X-RAY DIFFRACTION	41	chain 'Q' and (resid 74 through 97 )
42	X-RAY DIFFRACTION	42	chain 'U' and (resid 1 through 14 )
43	X-RAY DIFFRACTION	43	chain 'U' and (resid 15 through 24 )
44	X-RAY DIFFRACTION	44	chain 'U' and (resid 25 through 73 )
45	X-RAY DIFFRACTION	45	chain 'U' and (resid 74 through 80 )
46	X-RAY DIFFRACTION	46	chain 'U' and (resid 81 through 97 )
47	X-RAY DIFFRACTION	47	chain 'T' and (resid 1 through 14 )
48	X-RAY DIFFRACTION	48	chain 'T' and (resid 15 through 37 )
49	X-RAY DIFFRACTION	49	chain 'T' and (resid 38 through 53 )
50	X-RAY DIFFRACTION	50	chain 'T' and (resid 54 through 97 )
51	X-RAY DIFFRACTION	51	chain 'R' and (resid 1 through 14 )
52	X-RAY DIFFRACTION	52	chain 'R' and (resid 15 through 29 )
53	X-RAY DIFFRACTION	53	chain 'R' and (resid 30 through 49 )
54	X-RAY DIFFRACTION	54	chain 'R' and (resid 50 through 55 )
55	X-RAY DIFFRACTION	55	chain 'R' and (resid 56 through 73 )
56	X-RAY DIFFRACTION	56	chain 'R' and (resid 74 through 97 )
57	X-RAY DIFFRACTION	57	chain 'S' and (resid 1 through 14 )
58	X-RAY DIFFRACTION	58	chain 'S' and (resid 15 through 24 )
59	X-RAY DIFFRACTION	59	chain 'S' and (resid 25 through 36 )
60	X-RAY DIFFRACTION	60	chain 'S' and (resid 37 through 48 )
61	X-RAY DIFFRACTION	61	chain 'S' and (resid 49 through 58 )
62	X-RAY DIFFRACTION	62	chain 'S' and (resid 59 through 73 )
63	X-RAY DIFFRACTION	63	chain 'S' and (resid 74 through 97 )
64	X-RAY DIFFRACTION	64	chain 'K' and (resid 2 through 212 )
65	X-RAY DIFFRACTION	65	chain 'K' and (resid 213 through 353 )
66	X-RAY DIFFRACTION	66	chain 'K' and (resid 354 through 525 )
67	X-RAY DIFFRACTION	67	chain 'J' and (resid 2 through 195 )
68	X-RAY DIFFRACTION	68	chain 'J' and (resid 196 through 338 )
69	X-RAY DIFFRACTION	69	chain 'J' and (resid 339 through 525 )
70	X-RAY DIFFRACTION	70	chain 'I' and (resid 2 through 195 )
71	X-RAY DIFFRACTION	71	chain 'I' and (resid 196 through 385 )
72	X-RAY DIFFRACTION	72	chain 'I' and (resid 386 through 525 )
73	X-RAY DIFFRACTION	73	chain 'L' and (resid 2 through 179 )
74	X-RAY DIFFRACTION	74	chain 'L' and (resid 180 through 385 )
75	X-RAY DIFFRACTION	75	chain 'L' and (resid 386 through 525 )
76	X-RAY DIFFRACTION	76	chain 'M' and (resid 2 through 212 )
77	X-RAY DIFFRACTION	77	chain 'M' and (resid 213 through 372 )
78	X-RAY DIFFRACTION	78	chain 'M' and (resid 373 through 525 )
79	X-RAY DIFFRACTION	79	chain 'H' and (resid 2 through 212 )
80	X-RAY DIFFRACTION	80	chain 'H' and (resid 213 through 338 )
81	X-RAY DIFFRACTION	81	chain 'H' and (resid 339 through 385 )
82	X-RAY DIFFRACTION	82	chain 'H' and (resid 386 through 525 )
83	X-RAY DIFFRACTION	83	chain 'N' and (resid 2 through 155 )
84	X-RAY DIFFRACTION	84	chain 'N' and (resid 156 through 385 )
85	X-RAY DIFFRACTION	85	chain 'N' and (resid 386 through 525 )
86	X-RAY DIFFRACTION	86	chain 'X' and (resid 2 through 8 )
87	X-RAY DIFFRACTION	87	chain 'X' and (resid 9 through 14 )
88	X-RAY DIFFRACTION	88	chain 'X' and (resid 15 through 24 )
89	X-RAY DIFFRACTION	89	chain 'X' and (resid 25 through 48 )
90	X-RAY DIFFRACTION	90	chain 'X' and (resid 49 through 53 )
91	X-RAY DIFFRACTION	91	chain 'X' and (resid 54 through 96 )
92	X-RAY DIFFRACTION	92	chain 'W' and (resid 2 through 14 )
93	X-RAY DIFFRACTION	93	chain 'W' and (resid 15 through 24 )
94	X-RAY DIFFRACTION	94	chain 'W' and (resid 25 through 36 )
95	X-RAY DIFFRACTION	95	chain 'W' and (resid 37 through 48 )
96	X-RAY DIFFRACTION	96	chain 'W' and (resid 49 through 53 )
97	X-RAY DIFFRACTION	97	chain 'W' and (resid 54 through 58 )
98	X-RAY DIFFRACTION	98	chain 'W' and (resid 59 through 73 )
99	X-RAY DIFFRACTION	99	chain 'W' and (resid 74 through 80 )
100	X-RAY DIFFRACTION	100	chain 'W' and (resid 81 through 97 )
101	X-RAY DIFFRACTION	101	chain 'V' and (resid 1 through 14 )
102	X-RAY DIFFRACTION	102	chain 'V' and (resid 15 through 24 )
103	X-RAY DIFFRACTION	103	chain 'V' and (resid 25 through 66 )
104	X-RAY DIFFRACTION	104	chain 'V' and (resid 67 through 96 )
105	X-RAY DIFFRACTION	105	chain 'Y' and (resid 1 through 14 )
106	X-RAY DIFFRACTION	106	chain 'Y' and (resid 15 through 24 )
107	X-RAY DIFFRACTION	107	chain 'Y' and (resid 25 through 29 )
108	X-RAY DIFFRACTION	108	chain 'Y' and (resid 30 through 48 )
109	X-RAY DIFFRACTION	109	chain 'Y' and (resid 49 through 53 )
110	X-RAY DIFFRACTION	110	chain 'Y' and (resid 54 through 73 )
111	X-RAY DIFFRACTION	111	chain 'Y' and (resid 74 through 96 )
112	X-RAY DIFFRACTION	112	chain 'Z' and (resid 1 through 24 )
113	X-RAY DIFFRACTION	113	chain 'Z' and (resid 25 through 37 )
114	X-RAY DIFFRACTION	114	chain 'Z' and (resid 38 through 97 )
115	X-RAY DIFFRACTION	115	chain '2' and (resid 1 through 14 )
116	X-RAY DIFFRACTION	116	chain '2' and (resid 15 through 29 )
117	X-RAY DIFFRACTION	117	chain '2' and (resid 30 through 43 )
118	X-RAY DIFFRACTION	118	chain '2' and (resid 44 through 49 )
119	X-RAY DIFFRACTION	119	chain '2' and (resid 50 through 55 )
120	X-RAY DIFFRACTION	120	chain '2' and (resid 56 through 73 )
121	X-RAY DIFFRACTION	121	chain '2' and (resid 74 through 80 )
122	X-RAY DIFFRACTION	122	chain '2' and (resid 81 through 97 )
123	X-RAY DIFFRACTION	123	chain '1' and (resid 1 through 14 )
124	X-RAY DIFFRACTION	124	chain '1' and (resid 15 through 24 )
125	X-RAY DIFFRACTION	125	chain '1' and (resid 25 through 36 )
126	X-RAY DIFFRACTION	126	chain '1' and (resid 37 through 48 )
127	X-RAY DIFFRACTION	127	chain '1' and (resid 49 through 53 )
128	X-RAY DIFFRACTION	128	chain '1' and (resid 54 through 73 )
129	X-RAY DIFFRACTION	129	chain '1' and (resid 74 through 97 )