PDB-2xlb: Acetyl xylan esterase from Bacillus pumilus without ligands

ID or keywords:

Entry

Database: PDB / ID: 2xlb

Title

Acetyl xylan esterase from Bacillus pumilus without ligands

Components

ACETYL XYLAN ESTERASE

Keywords

HYDROLASE / PARAOXON / CE-7 FAMILY / IRREVERSIBLE INHIBITION

Function / homology

Function and homology information

acetylesterase / acetylesterase activity
Similarity search - Function

Biological species

BACILLUS PUMILUS (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.9 Å

Authors

Gil-Ortiz, F. / Montoro-Garcia, S. / Polo, L.M. / Rubio, V. / Sanchez-Ferrer, A.

Citation

Journal: Biochem.J. / Year: 2011
Title: The Crystal Structure of the Cephalosporin Deacetylating Enzyme Acetyl Xylan Esterase Bound to Paraoxon Explains the Low Sensitivity of This Serine Hydrolase to Organophosphate Inactivation.
Authors: Montoro-Garcia, S. / Gil-Ortiz, F. / Garcia-Carmona, F. / Polo, L.M. / Rubio, V. / Sanchez-Ferrer, A.

History

Deposition	Jul 20, 2010	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	May 25, 2011	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Version format compliance
Revision 1.2	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2xlb.cif.gz	1.4 MB	Display	PDBx/mmCIF format
PDB format	pdb2xlb.ent.gz	1.2 MB	Display	PDB format
PDBx/mmJSON format	2xlb.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	2xlb_validation.pdf.gz	499.6 KB	Display	wwPDB validaton report
Full document	2xlb_full_validation.pdf.gz	541.5 KB	Display
Data in XML	2xlb_validation.xml.gz	136.1 KB	Display
Data in CIF	2xlb_validation.cif.gz	191 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/xl/2xlb ftp://data.pdbj.org/pub/pdb/validation_reports/xl/2xlb	HTTPS FTP

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Related structure data

Related structure data	2xlcC 1odsS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3fvt-2 3fvr-2 3fvr-1 1ods-2 3fvt-1 3fyu-1 1odt-1 1ods-1 3fyt-1 1l7a-1 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: ACETYL XYLAN ESTERASE

B: ACETYL XYLAN ESTERASE

C: ACETYL XYLAN ESTERASE

D: ACETYL XYLAN ESTERASE

E: ACETYL XYLAN ESTERASE

F: ACETYL XYLAN ESTERASE

G: ACETYL XYLAN ESTERASE

H: ACETYL XYLAN ESTERASE

I: ACETYL XYLAN ESTERASE

J: ACETYL XYLAN ESTERASE

K: ACETYL XYLAN ESTERASE

L: ACETYL XYLAN ESTERASE

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

1

G: ACETYL XYLAN ESTERASE

H: ACETYL XYLAN ESTERASE

I: ACETYL XYLAN ESTERASE

J: ACETYL XYLAN ESTERASE

K: ACETYL XYLAN ESTERASE

L: ACETYL XYLAN ESTERASE

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

2

A: ACETYL XYLAN ESTERASE

B: ACETYL XYLAN ESTERASE

C: ACETYL XYLAN ESTERASE

D: ACETYL XYLAN ESTERASE

E: ACETYL XYLAN ESTERASE

F: ACETYL XYLAN ESTERASE

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

Unit cell

Length a, b, c (Å)	143.477, 87.301, 184.291
Angle α, β, γ (deg.)	90.00, 112.89, 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
4	1	D
5	1	E
6	1	F
7	1	G
8	1	H
9	1	I
10	1	J
11	1	K
12	1	L

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	3	A	1 - 400
2	1	1	3	B	1 - 400
3	1	1	3	C	1 - 400
4	1	1	3	D	1 - 400
5	1	1	3	E	1 - 400
6	1	1	3	F	1 - 400
7	1	1	3	G	1 - 400
8	1	1	3	H	1 - 400
9	1	1	3	I	1 - 400
10	1	1	3	J	1 - 400
11	1	1	3	K	1 - 400
12	1	1	3	L	1 - 400

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.5284, 0.6623, -0.5312), (0.6662, -0.06444, -0.743), (-0.5263, -0.7465, -0.4071)	36.67, 73, 124.4
2	given	(-0.8111, 0.5246, 0.2586), (0.5213, 0.448, 0.7263), (0.2652, 0.723, -0.6369)	-26.93, -53.79, 126.9
3	given	(-0.9319, -0.07558, -0.3547), (-0.0503, -0.9416, 0.3328), (-0.3591, 0.328, 0.8737)	30.3, -5.7, 6.763
4	given	(-0.5219, 0.6687, -0.5296), (0.6668, -0.06743, -0.7422), (-0.532, -0.7405, -0.4107)	36.44, 73.04, 124.7
5	given	(-0.9319, -0.0711, -0.3556), (-0.0541, -0.942, 0.3302), (-0.3585, 0.327, 0.8744)	30.4, -5.505, 6.812
6	given	(-0.8294, 0.4693, 0.3029), (-0.5211, -0.4546, -0.7224), (-0.201, -0.757, 0.6216)	5.947, 53.55, -43.07

#1: Protein	ACETYL XYLAN ESTERASE / CEPHALOSPORIN C DEACETYLASE Mass: 36155.762 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) BACILLUS PUMILUS (bacteria) / Strain: CECT5072 / Plasmid: PET28A6HIS-AXE / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): ROSETTA (DE3) PLYS / References: UniProt: Q9K5F2, acetylxylan esterase
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1504 / Source method: isolated from a natural source / Formula: H₂O
Sequence details	SEQUENCE CONFLICTS ARE DUE TO SEQUENCES COMING FROM DIFFERENT BACILLUS PUMILUS STRAINS, PS213 ...SEQUENCE CONFLICTS ARE DUE TO SEQUENCES COMING FROM DIFFERENT BACILLUS PUMILUS STRAINS, PS213 (UNIPROT SEQUENCE) AND CECT 5072 (PDB ENTRY 2XLB)

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.41 Å³/Da / Density % sol: 48 % / Description: NONE
Crystal grow	pH: 7.5 Details: 0.2 M MGCL2, 0.1 M NA HEPES PH 7.5 AND 30 % PEG 400

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ESRF

/ Beamline: ID23-2 / Wavelength: 0.9789

Detector

Type: ADSC CCD / Detector: CCD / Date: Apr 20, 2008 / Details: MIRRORS

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.9789 Å / Relative weight: 1

Reflection twin

Crystal-ID	ID	Operator	Domain-ID	Fraction
1	1	1.000H, 1.000K, L	1	0.54
1	1	-1.000H, -1.000K, 1.000H+L	2	0.46

Reflection

Resolution: 1.9→30 Å / Num. obs: 304261 / % possible obs: 92.1 % / Observed criterion σ(I): 0 / Redundancy: 4.6 % / B_iso Wilson estimate: 13.661 Å² / R_merge(I) obs: 0.09 / Net I/σ(I): 6

Reflection shell

Resolution: 1.9→2 Å / Redundancy: 4.8 % / R_merge(I) obs: 0.25 / Mean I/σ(I) obs: 2 / % possible all: 85.2

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Processing

Software

Name	Version	Classification
REFMAC	5.5.0088	refinement
MOSFLM		data reduction
SCALA		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1ODS

1ods

Resolution: 1.9→30 Å / Cor.coef. F_o:F_c: 0.954 / Cor.coef. F_o:F_c free: 0.946 / SU B: 4.257 / SU ML: 0.055 / Cross valid method: THROUGHOUT / ESU R: 0.025 / ESU R Free: 0.021 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.15033	15312	5 %	RANDOM
R_work	0.13649	-	-	-
obs	0.13719	288931	92.08 %	-

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: 13.162 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.77 Å²	0 Å²	-2.19 Å²
2-	-	-0.86 Å²	0 Å²
3-	-	-	2.63 Å²

Refinement step

Cycle: LAST / Resolution: 1.9→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	30050	0	0	1504	31554

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.022	30914
X-RAY DIFFRACTION	r_bond_other_d	0.005	0.02	20476
X-RAY DIFFRACTION	r_angle_refined_deg	1.338	1.951	42107
X-RAY DIFFRACTION	r_angle_other_deg	1.394	3	49732
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.452	5	3792
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	32.85	23.758	1461
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.491	15	4688
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.827	15	144
X-RAY DIFFRACTION	r_chiral_restr
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.021	34884
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	6672
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	0.38	1.5	18924
X-RAY DIFFRACTION	r_mcbond_other	0.146	1.5	7680
X-RAY DIFFRACTION	r_mcangle_it	0.741	2	30359
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	1.221	3	11990
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	1.828	4.5	11748
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	1830	tight positional	0.03	0.05
2	B	1830	tight positional	0.03	0.05
3	C	1830	tight positional	0.02	0.05
4	D	1830	tight positional	0.03	0.05
5	E	1830	tight positional	0.03	0.05
6	F	1830	tight positional	0.03	0.05
7	G	1830	tight positional	0.02	0.05
8	H	1830	tight positional	0.02	0.05
9	I	1830	tight positional	0.02	0.05
10	J	1830	tight positional	0.02	0.05
11	K	1830	tight positional	0.03	0.05
12	L	1830	tight positional	0.03	0.05
1	A	2339	loose positional	0.11	5
2	B	2339	loose positional	0.09	5
3	C	2339	loose positional	0.09	5
4	D	2339	loose positional	0.05	5
5	E	2339	loose positional	0.07	5
6	F	2339	loose positional	0.05	5
7	G	2339	loose positional	0.06	5
8	H	2339	loose positional	0.06	5
9	I	2339	loose positional	0.05	5
10	J	2339	loose positional	0.06	5
11	K	2339	loose positional	0.05	5
12	L	2339	loose positional	0.05	5
1	A	1830	tight thermal	0.09	0.5
2	B	1830	tight thermal	0.09	0.5
3	C	1830	tight thermal	0.1	0.5
4	D	1830	tight thermal	0.09	0.5
5	E	1830	tight thermal	0.08	0.5
6	F	1830	tight thermal	0.08	0.5
7	G	1830	tight thermal	0.07	0.5
8	H	1830	tight thermal	0.08	0.5
9	I	1830	tight thermal	0.09	0.5
8	H	1830	tight thermal	0.08	0.5
11	K	1830	tight thermal	0.09	0.5
12	L	1830	tight thermal	0.08	0.5
1	A	2339	loose thermal	0.09	10
2	B	2339	loose thermal	0.08	10
3	C	2339	loose thermal	0.09	10
4	D	2339	loose thermal	0.08	10
5	E	2339	loose thermal	0.08	10
6	F	2339	loose thermal	0.08	10
7	G	2339	loose thermal	0.07	10
8	H	2339	loose thermal	0.07	10
9	I	2339	loose thermal	0.08	10
10	J	2339	loose thermal	0.07	10
11	K	2339	loose thermal	0.08	10
12	L	2339	loose thermal	0.07	10

LS refinement shell

Resolution: 1.899→1.948 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.21	1039	-
R_work	0.179	19111	-
obs	-	-	83.13 %

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	1.7615	0.3714	0.0972	0.9032	0.3647	1.0694	0.093	-0.1624	0.0111	0.1024	-0.0769	-0.0372	0.0023	-0.0379	-0.0161	0.0848	-0.0067	-0.0117	0.0333	0.026	0.0454	-4.059	-2.014	115.405
2	1.2896	0.8692	0.2841	2.1574	0.7381	0.2534	0.0029	0.0104	-0.0383	-0.0012	-0.0263	0.077	0.0035	-0.0111	0.0235	0.0586	-0.02	-0.0044	0.0654	0.0212	0.0464	-13.286	-7.157	109.633
3	0.784	0.3286	-0.189	1.3361	-0.2043	0.7425	0.0056	-0.0665	-0.0182	0.1128	-0.0059	0.0227	0.0233	-0.0329	0.0004	0.0455	-0.0113	-0.0147	0.0442	0.018	0.0325	-1.163	0.767	114.392
4	1.9045	0.7285	-0.5133	5.4106	-1.2895	1.2791	-0.0172	-0.0628	0.1396	0.0719	0.021	-0.1406	-0.222	0.1861	-0.0038	0.0663	-0.0201	0.0122	0.069	-0.0028	0.0542	10.188	14.835	106.106
5	0.4966	0.3842	0.0764	0.7472	0.56	0.9022	0.0007	-0.0452	-0.1138	0.0465	-0.0282	-0.0872	0.0965	0.0245	0.0275	0.0535	0.0013	-0.0084	0.0499	0.0146	0.0847	4.557	-9.771	105.433
6	2.2118	0.7962	0.7404	1.8438	1.377	4.6367	0.0947	-0.0885	0.2125	0.0579	-0.034	0.0955	-0.3409	-0.0609	-0.0606	0.1093	0.0319	0.0239	0.0332	0.033	0.1594	-28.036	10.272	79.917
7	1.5727	-3.4896	1.465	10.1066	-3.0871	3.5661	0.1113	0.1093	-0.1088	-0.5332	-0.0633	0.0298	0.2423	-0.0838	-0.0479	0.0714	-0.0317	-0.0142	0.1044	-0.0156	0.1081	-31.34	-17.387	67.464
8	1.5281	0.1868	1.4656	0.882	0.1593	8.0739	0.0978	0.0557	-0.2548	0.016	0.0449	-0.0393	0.3994	0.0824	-0.1427	0.0542	-0.0035	0.0053	0.0082	-0.001	0.1258	-17.523	-26.886	87.187
9	2.0801	0.4795	-0.5986	1.2315	-0.5262	1.6726	0.1221	-0.3253	-0.1488	0.2342	-0.1584	-0.0403	0.0222	0.1868	0.0364	0.0705	-0.0242	-0.0128	0.065	0.0056	0.0913	-19.844	-17.614	91.315
10	0.9335	-0.2963	0.3817	1.2917	-0.5878	2.1913	-0.0017	-0.0892	0.0529	0.0519	-0.0128	-0.0745	0.0452	0.0458	0.0145	0.014	-0.0088	-0.0229	0.0228	0.0109	0.0721	-18.893	-17.476	92.512
11	1.0099	0.3531	-0.4568	1.0406	-0.4005	1.0136	0.0052	0.0465	-0.0369	-0.065	0.0093	0.0399	0.0121	-0.0695	-0.0145	0.0151	-0.0024	-0.0256	0.0211	-0.0113	0.0721	-21.463	-9.898	74.95
12	0.2851	0.1642	0.1108	0.803	0.1893	1.6493	0.0475	-0.0493	-0.0202	0.0701	-0.0044	0.0973	-0.0052	-0.1001	-0.0432	0.0161	0.002	-0.0017	0.024	0.0006	0.0949	-28.223	-1.674	86.387
13	4.433	2.0735	-3.1905	2.2786	-1.1226	4.4084	0.0324	-0.1892	-0.2104	0.1791	-0.0672	-0.0922	0.2753	0.0224	0.0349	0.1085	0.019	-0.0365	0.0372	0.0193	0.118	27.287	12.626	90.029
14	2.7745	-4.7084	-0.8707	10.0869	-0.1538	1.6759	0.2243	0.0549	0.1687	-0.5668	-0.1377	-0.3007	-0.032	0.0793	-0.0866	0.1288	-0.0447	0.0221	0.0881	-0.0153	0.1075	36.892	34.694	71.262
15	2.3771	-0.8039	-2.2446	1.1877	1.1108	4.4214	0.1687	0.1363	0.2785	-0.1113	0.0065	-0.015	-0.272	-0.1337	-0.1751	0.047	-0.0061	-0.0107	0.0202	0.021	0.1062	17.737	49.517	80.426
16	1.9858	0.1333	-0.0695	0.4943	0.3964	1.4414	-0.0443	-0.1635	0.317	0.1737	-0.0992	0.2389	0.0404	-0.1473	0.1435	0.1032	-0.0404	0.04	0.05	-0.0382	0.1933	17.735	42.275	87.897
17	0.6309	-0.1966	-1.148	1.8791	0.7912	2.4769	0.0103	0.0385	-0.0943	0.1456	-0.0508	0.1333	0.1124	-0.09	0.0406	0.0452	-0.0024	-0.0429	0.0173	0.0052	0.1135	16.413	42.494	88.655
18	0.6053	0.3361	0.2	1.5667	0.5659	1.0213	0.0014	0.0298	0.01	-0.069	-0.0021	-0.058	0.0032	0.0234	0.0006	0.0044	0.0003	0.0019	0.032	0.0269	0.061	24.466	29.649	76.707
19	0.1983	-0.0227	-0.5192	0.7048	-0.3735	1.661	-0.0398	-0.0481	0.0346	0.0771	0.0638	-0.1129	0.0899	0.088	-0.0239	0.0405	0.0145	-0.0173	0.0213	-0.0007	0.0807	29.542	23.653	86.355
20	1.0829	1.2992	-0.5034	3.1325	-0.2081	0.5918	0.105	-0.1364	0.0825	0.222	-0.1172	-0.0462	-0.0834	0.0114	0.0122	0.0744	0.0089	-0.0111	0.0616	-0.0091	0.0762	21.82	28.983	98.562
21	2.8262	0.2683	-2.9295	1.9164	-1.2695	6.0363	-0.0014	0.388	-0.0106	-0.2507	-0.0476	0.0806	-0.0932	-0.2166	0.0489	0.0639	-0.0123	-0.0425	0.1012	-0.0105	0.1129	-19.42	31.461	86.488
22	6.972	0.5174	4.2199	1.6511	0.2702	4.6711	0.1604	-0.6056	0.0853	0.1921	-0.1553	0.0604	0.2491	-0.4295	-0.0051	0.0785	-0.0253	0.0592	0.1026	-0.0225	0.1121	-19.223	33.044	117.326
23	4.1109	1.8708	-1.6103	1.5035	-1.0648	1.4539	0.0883	-0.3335	-0.0603	0.1884	-0.1078	-0.0395	-0.0366	0.166	0.0194	0.1018	-0.0056	-0.0169	0.0562	-0.0233	0.0572	5.807	36.024	115.828
24	1.0012	0.1665	-0.1836	1.7692	-0.2812	0.4111	-0.0349	-0.0442	0.0935	-0.1314	0.0813	-0.3164	-0.1014	0.1179	-0.0464	0.107	-0.0404	0.012	0.0702	-0.0425	0.1268	3.581	38.244	106.176
25	2.2677	0.8932	0.3843	0.6056	0.3066	0.4088	0.0097	0.1407	-0.0567	0.0352	0.0048	-0.064	0.0184	0.0627	-0.0145	0.0277	0.0036	0.0085	0.0644	-0.0127	0.0569	4.972	38.197	105.505
26	0.7181	0.4607	0.1085	1.8759	0.1651	0.8183	0.0318	-0.0487	0.0336	0.0772	-0.031	0.0443	0.012	-0.0389	-0.0007	0.009	0.0073	0.0138	0.0386	-0.0026	0.0502	-11.399	27.959	105.946
27	0.9956	0.5956	-0.2378	0.4462	-0.4389	1.1913	-0.0033	-0.0227	0.1477	-0.006	0.0201	0.1056	-0.0338	-0.0691	-0.0169	0.0367	-0.0052	-0.008	0.0451	0.0044	0.0949	-16.156	34.935	96.819
28	1.2519	0.2629	-0.2325	1.2592	1.4362	2.1126	0.0414	-0.0323	0.0847	-0.1417	-0.0054	-0.0433	-0.2876	0.0657	-0.036	0.0592	-0.0171	-0.0079	0.0476	0.0191	0.0678	-3.93	42.158	90.845
29	1.1867	1.1826	-0.0829	6.1051	-0.1066	1.3972	0.0456	-0.0813	0.0136	0.0701	-0.0597	-0.3114	-0.059	0.2101	0.0141	0.0293	0.0009	-0.0218	0.0827	0.0228	0.1017	21.803	-6.212	76.215
30	4.9273	0.6554	6.4837	1.6931	-0.6435	10.2748	0.1681	-0.1631	-0.2728	-0.1077	0.0233	0.0431	0.3804	-0.312	-0.1915	0.1082	0.0222	0.0266	0.0326	-0.0231	0.1986	6.971	-29.161	63.097
31	1.0583	0.237	-0.2696	4.7718	-2.8077	2.0025	-0.0328	0.142	-0.066	-0.2717	0.0907	0.2451	0.1578	-0.0441	-0.058	0.1136	-0.0069	-0.0263	0.0957	-0.0414	0.062	-3.829	-11.98	47.406
32	1.6492	-0.2651	-1.1134	1.3495	0.0323	3.2607	0.0846	0.1641	0.0616	-0.2273	-0.0082	-0.0249	-0.1547	0.0581	-0.0763	0.0771	-0.013	-0.0048	0.0648	-0.0267	0.0749	3.904	-5.961	50.879
33	0.6523	-0.1669	0.2547	1.5823	-1.1933	1.0701	-0.022	0.023	0.0371	0.0695	0.0053	0.0155	-0.0005	0.0059	0.0168	0.101	0.0072	-0.003	0.0521	-0.0248	0.0589	3.515	-4.529	50.455
34	0.9132	0.1888	-0.4683	0.4746	0.1524	1.8414	-0.0047	0.0422	-0.0726	-0.0684	-0.0384	-0.0128	0.0778	0.0029	0.0432	0.0512	0.0192	-0.0105	0.011	-0.0085	0.0853	4.969	-15.077	66.549
35	0.5794	0.6318	-0.0423	1.1539	-0.6234	0.7266	0.006	0.0463	-0.0475	-0.0735	-0.0772	-0.0932	0.0929	0.1598	0.0712	0.0393	0.0163	0.0065	0.0423	0.0129	0.0958	16.954	-11.954	67.669
36	0.1636	0.3005	0.3618	1.5329	1.2072	2.9784	-0.0466	0.118	-0.0391	-0.2158	0.0921	-0.0636	-0.1072	0.2496	-0.0456	0.0536	-0.0137	0.0027	0.1088	-0.006	0.1005	18.586	0.13	58.27
37	1.6574	0.9063	0.5895	3.9764	0.2042	1.5408	-0.0334	-0.1597	-0.067	0.042	-0.0371	0.4321	0.1372	-0.3532	0.0704	0.0736	0.0018	0.0125	0.179	-0.0377	0.1834	-16.593	24.359	63.603
38	10.0621	-3.3568	-4.2571	3.7415	2.1819	3.6081	0.2868	-0.1661	0.5233	-0.363	0.0289	-0.1373	-0.425	0.214	-0.3158	0.1546	-0.0245	-0.0331	0.0754	0.0206	0.1013	4.347	42.123	49.439
39	1.0261	-0.8367	-0.3377	6.951	0.924	0.7917	-0.0293	0.1282	-0.0105	-0.2687	0.003	-0.3785	-0.0504	0.1323	0.0264	0.0782	-0.018	0.0126	0.1242	0.0274	0.0582	17.611	20.132	44.991
40	0.5489	-0.1148	0.1689	2.503	2.0083	1.7395	0.0109	0.091	-0.0161	0.0347	-0.0138	0.0118	0.0459	0.0379	0.0029	0.062	0.0004	-0.01	0.0932	0.0287	0.0637	8.804	15.595	48.447
41	0.6691	0.2408	0.1511	0.6442	0.4958	1.7916	0.0018	0.0433	0.0544	-0.0768	-0.0214	0.0383	-0.0568	0.0273	0.0195	0.0457	0.0063	-0.0289	0.0265	0.0314	0.0739	3.393	30.372	58.266
42	0.3755	0.2833	-0.0622	1.1514	0.2501	0.4675	-0.0072	0.066	0.0057	-0.1196	-0.0481	0.0793	0.0143	-0.0903	0.0552	0.062	-0.0021	-0.0364	0.0683	0.0195	0.0885	-8.178	20.652	53.834
43	1.2898	-0.9829	-0.13	5.8017	-0.8638	0.4577	0.0504	-0.0752	0.0361	0.0547	0.0075	0.5627	-0.105	-0.2096	-0.0579	0.1229	0.0102	-0.0295	0.2473	-0.0115	0.1892	20.483	-24.271	19.759
44	8.3632	1.9811	3.0445	1.8628	1.3643	1.6479	0.0858	0.0538	-0.4274	0.1	0.054	-0.0996	0.232	0.1768	-0.1398	0.2232	0.0176	-0.008	0.1661	0.0715	0.133	41.472	-42.313	32.104
45	0.7364	0.3904	0.0538	7.5966	1.8962	1.0631	0.0325	-0.1917	-0.0416	0.2115	-0.046	-0.392	0.0979	0.0825	0.0136	0.0971	0.0277	-0.0438	0.1714	0.0446	0.0914	56.133	-21.509	35.32
46	1.027	0.2489	-0.4997	0.859	0.5289	0.9203	0.0972	-0.2336	0.0377	-0.0374	-0.039	-0.0756	-0.2944	0.0956	-0.0582	0.2817	0.0259	-0.0431	0.1375	0.027	0.102	47.133	-16.563	33.656
47	1.0266	0.3556	-0.1509	2.9231	1.327	0.71	0.0075	-0.0274	0.043	-0.0209	-0.0081	0.0656	0.0042	-0.0202	0.0005	0.1228	0.0134	-0.0285	0.1351	0.0444	0.0542	47.534	-15.105	33.388
48	0.6615	-0.2226	0.0693	0.6055	0.397	1.5218	0	-0.0846	-0.0452	0.0958	0.0049	-0.0247	0.0253	-0.0021	-0.0049	0.0809	-0.0019	-0.003	0.0924	0.059	0.0937	41.263	-28.679	26.476
49	0.6888	0.2759	-2.2401	2.0116	1.2272	9.7811	-0.2438	0.063	-0.0703	-0.1707	0.1343	-0.0317	0.7801	-0.0931	0.1096	0.1377	-0.0051	-0.0338	0.0836	0.0318	0.1718	36.624	-39.432	8.665
50	0.6899	-0.5603	0.1515	1.5545	0.438	0.3274	-0.0123	-0.1037	-0.035	0.1675	-0.0651	0.151	0.0689	-0.1009	0.0774	0.0796	-0.004	0.0078	0.1532	0.0452	0.1126	28.939	-27.085	26.83
51	0.6395	-0.2957	1.1113	1.1937	-0.6246	2.0908	-0.0677	-0.1823	0.0391	0.1866	0.0195	-0.0337	-0.1019	-0.1875	0.0481	0.1001	0.029	-0.0082	0.1834	0.0196	0.0971	30.221	-12.479	31.561
52	1.1612	-0.5441	-0.1362	4.584	-0.0203	1.5981	0.027	0.0608	-0.1019	-0.2321	-0.0064	-0.273	0.1303	0.2063	-0.0206	0.0552	0.022	-0.001	0.1565	0.0116	0.1454	57.991	6.32	4.473
53	2.4928	0.6702	-3.3024	1.8478	-2.058	6.7733	0.2998	0.0487	0.3794	0.1665	0.0177	-0.0324	-0.5621	-0.3281	-0.3176	0.1539	-0.0123	-0.0381	0.0935	-0.0121	0.1415	44.424	29.32	18.039
54	0.4801	-0.6051	0.301	5.3126	-3.4991	2.6267	-0.0653	-0.1677	0.0615	0.3636	0.0663	0.1969	-0.1765	-0.0524	-0.001	0.1351	0.0184	0.0051	0.16	-0.0449	0.1105	34.34	12.429	34.815
55	1.7245	0.5544	1.8007	1.0116	-0.0829	3.6599	0.1351	-0.2207	-0.0188	0.302	-0.0668	0.0119	0.3016	-0.0876	-0.0683	0.2008	0.023	-0.0215	0.1499	-0.0258	0.0935	41.828	6.055	30.979
56	0.8295	-0.0768	0.2733	1.0263	-0.8892	2.768	-0.0095	0.0423	-0.1052	0.0893	0.0401	0.0422	0.0273	-0.0415	-0.0307	0.0894	-0.0037	-0.0246	0.1258	-0.0344	0.0821	41.463	4.63	31.431
57	1.0252	-0.1698	0.4547	0.704	0.0859	1.4136	0.0026	-0.0589	0.0778	0.0563	-0.0191	-0.0311	-0.0783	-0.0012	0.0166	0.0548	-0.0201	-0.0042	0.0417	-0.0145	0.1007	41.81	15.143	15.25
58	0.5652	-0.5089	0.0151	0.7573	-0.4622	0.6842	0.0134	-0.0219	0.0692	0.051	-0.073	-0.1012	-0.0804	0.1594	0.0596	0.0629	-0.0092	-0.0223	0.084	-0.0115	0.1121	53.709	12.058	13.327
59	0.2725	0.3968	0.1144	1.9311	1.0196	2.7524	-0.0148	-0.1517	0.0389	0.205	0.0485	-0.1081	0.0789	0.1635	-0.0336	0.0831	0.0339	-0.0341	0.1545	-0.0252	0.1206	56	-0.003	22.616
60	3.0888	0.3525	1.1729	2.4293	-0.341	4.1095	0.0018	-0.5153	-0.129	0.3362	0.0363	0.0027	0.0107	-0.1882	-0.0382	0.0668	0.0145	0.0394	0.1262	0.019	0.0815	16.602	-31.663	-2.153
61	6.5653	-1.5113	-3.9984	1.3737	0.901	4.5036	0.0758	0.6101	-0.2064	-0.2415	-0.1806	0.1154	-0.2632	-0.5285	0.1049	0.1093	0.0011	-0.0304	0.0998	-0.0183	0.0974	13.388	-33.112	-32.457
62	4.3301	-1.8768	1.6752	1.3604	-0.8164	1.3142	0.1045	0.3615	0.0003	-0.2269	-0.116	-0.1245	0.1118	0.1555	0.0116	0.1149	-0.0237	0.0411	0.0774	-0.0238	0.0947	39.047	-36.227	-34.091
63	1.3529	-0.5951	0.1984	1.9989	0.286	0.7353	-0.035	0.0525	-0.0924	0.1276	0.1029	-0.3001	0.1743	0.1267	-0.068	0.0879	0.0053	0.011	0.0807	-0.0072	0.1173	37.911	-38.367	-23.973
64	1.8429	-0.4018	0.0017	1.9748	-0.3357	0.5218	0.043	-0.088	-0.0235	-0.0247	-0.0089	-0.1283	-0.0176	0.1209	-0.0342	0.0375	-0.0231	0.0124	0.0526	-0.0134	0.0768	39.34	-38.308	-23.402
65	0.6975	-0.361	-0.1264	1.76	0.1803	0.8336	0.0091	0.0339	-0.0466	-0.0698	0.0164	0.016	0.0178	-0.0235	-0.0255	0.0162	-0.0246	-0.0057	0.0447	0.0061	0.0472	22.901	-28.197	-22.726
66	0.834	-0.6407	0.2519	1.2008	-0.6383	1.0726	-0.0105	0.0135	-0.1354	0.0736	0.0148	0.1072	0.0751	-0.0683	-0.0043	0.0265	-0.0106	0.0041	0.0479	0.0175	0.0688	18.858	-35.153	-13.241
67	1.2556	-0.1266	0.053	1.3083	1.7946	2.7049	0.0523	0.0492	-0.1305	0.1324	0.0199	-0.1204	0.2495	0.07	-0.0721	0.0665	0.0141	-0.0043	0.0557	0.0264	0.1138	31.519	-42.249	-8.127
68	4.0101	-1.8532	1.7452	2.1881	-1.0017	3.8927	0.0015	0.273	0.3354	-0.2897	-0.0511	-0.0823	-0.3361	0.0153	0.0495	0.1685	-0.0359	0.0081	0.0729	0.0399	0.201	62.681	-12.685	-9.636
69	2.3819	3.026	0.2677	9.7819	-1.8136	1.7911	0.0603	-0.1579	-0.162	0.4971	-0.0664	-0.3941	0.0731	0.094	0.0061	0.0818	0.0353	-0.0144	0.1087	-0.0146	0.1506	73.405	-34.711	8.567
70	2.7243	0.9087	2.7356	1.4133	0.9815	3.5383	0.1289	-0.0754	-0.302	0.1259	0.0215	-0.0727	0.2577	-0.0124	-0.1504	0.0588	0.0116	0.0141	0.0433	0.0226	0.151	53.67	-49.512	0.708
71	1.2304	0.0787	0.2027	1.0263	0.4671	1.4897	0.0382	0.1136	-0.2925	-0.2986	-0.1192	0.1135	-0.019	-0.16	0.081	0.1147	0.0312	-0.0176	0.0589	-0.0198	0.1695	53.22	-42.308	-6.78
72	0.8979	0.1505	0.0264	0.6909	0.8402	2.5936	-0.0072	0.0105	0.0563	-0.0628	-0.0442	0.0894	-0.1446	0.0211	0.0514	0.0459	-0.0008	0.0104	0.0503	0.0108	0.1451	51.848	-42.522	-7.446
73	0.6427	-0.2923	-0.1665	1.4488	0.5441	1.2702	-0.018	-0.0285	-0.059	0.0265	0.0207	-0.0735	-0.0111	0.0448	-0.0026	0.0053	0.0041	-0.0172	0.0658	0.0277	0.1148	60.67	-29.649	3.906
74	0.6553	0.1137	0.4759	0.4018	-0.5826	1.7865	-0.0646	0.0375	-0.0163	-0.0317	0.023	-0.1056	-0.0742	0.0574	0.0416	0.0571	-0.0077	0.0164	0.0606	0.006	0.1366	64.672	-23.536	-5.769
75	4.5771	-1.9367	1.8314	2.5459	-0.7346	1.6935	0.0402	0.3287	0.0163	-0.1396	-0.1067	-0.2842	0.0799	0.0742	0.0666	0.0552	-0.0056	0.0214	0.0367	0.0143	0.1046	58.351	-22.689	-15.581
76	7.9714	-7.9055	-0.1175	8.1315	0.9685	3.2216	0.1415	0.1096	-0.1087	-0.1903	-0.0975	0.0313	0.1123	0.0519	-0.044	0.1356	-0.0179	0.0378	0.0233	0.0174	0.1402	56.984	-34.494	-19.066
77	1.8865	-0.4436	-0.9186	2.6223	1.8413	4.4721	-0.047	0.036	-0.315	-0.0282	-0.0406	0.1953	0.4145	0.0051	0.0877	0.1274	-0.0214	-0.0272	0.075	0.0435	0.1436	8.052	-10.403	4.437
78	1.5402	2.8726	-2.0841	8.8356	-3.767	4.7529	0.1079	-0.1205	0.1157	0.5545	0.0408	0.0811	-0.3422	-0.0484	-0.1487	0.0689	0.0358	0.0089	0.1458	-0.0195	0.1164	5.553	17.335	16.909
79	0.9767	0.1892	-1.9268	0.6042	0.2756	8.7294	0.1193	-0.0654	0.1755	-0.0238	0.0418	-0.0379	-0.5259	0.0464	-0.161	0.0648	0.0118	0.0073	0.0288	-0.0054	0.1563	17.903	26.727	-3.807
80	2.1209	0.1191	0.2206	0.0714	0.2156	2.1284	0.1401	0.2608	0.2352	-0.0719	-0.0282	0.0223	0.0626	0.1052	-0.1119	0.2103	0.0913	-0.0194	0.1004	0.0011	0.1204	15.315	17.425	-7.698
81	1.1455	0.3808	0.4742	0.8775	-1.0038	2.0042	0.0284	-0.0161	-0.0769	-0.0346	0.0094	-0.0244	0.0908	-0.044	-0.0378	0.044	0.0154	0.0033	0.0531	-0.0013	0.0732	16.181	17.28	-8.957
82	0.9686	-0.3128	0.4248	1.0746	-0.3567	1.0076	0.0293	-0.1028	0.0378	0.0556	0.0208	0.0269	-0.0311	-0.0653	-0.05	0.0253	0.0077	0.0242	0.0646	-0.0104	0.0761	14.898	9.819	8.788
83	0.5144	0.0364	0.1289	0.9634	0.236	1.3078	0.0466	-0.03	-0.0531	-0.0054	0.0221	0.074	0.0101	-0.1189	-0.0686	0.0193	0.0014	0.0118	0.0417	0.0097	0.0876	7.282	1.243	4.876
84	3.4113	-3.1911	-2.1528	3.7884	2.4618	4.1001	-0.0074	0.2801	-0.2396	-0.114	-0.0437	0.3793	-0.0497	-0.2299	0.0511	0.0419	-0.0303	-0.013	0.0953	0.0378	0.0764	8.192	-3.423	-5.819
85	6.1434	-5.5415	0.0391	6.7703	0.5651	2.4223	0.0352	0.0638	0.0328	-0.2344	-0.0398	0.2364	-0.1922	-0.0821	0.0047	0.066	-0.0184	0.0013	0.055	0.0116	0.0959	6.784	6.364	-13.271
86	0.6075	-0.3005	-0.4355	2.8536	2.1783	6.5805	-0.0736	-0.2142	0.1318	0.1934	0.0907	-0.1711	-0.2276	0.3309	-0.0172	0.0698	-0.0191	-0.0388	0.1267	-0.0179	0.1886	50.294	5.29	-18.696
87	10.2399	-0.2478	0.9652	1.4239	0.6696	1.4398	0.1343	0.5139	-0.2813	-0.1203	-0.0477	0.091	0.0276	0.0426	-0.0865	0.1241	-0.0013	0.0173	0.0826	0.0087	0.0508	36.814	-3.514	-45.048
88	3.352	-1.9691	-2.4475	2.7274	2.1417	3.1235	-0.0324	0.2732	-0.0557	-0.0676	-0.1209	0.237	0.1044	-0.3012	0.1534	0.071	-0.017	-0.0441	0.1087	0.0251	0.0638	14.656	1.426	-34.037
89	1.0021	-0.2447	-0.1396	1.7538	-0.5885	1.0484	-0.1011	0.0301	0.0594	0.2614	0.1605	0.2044	-0.2592	-0.2412	-0.0593	0.1089	0.0327	-0.0011	0.1028	0.021	0.089	20.579	6.586	-27.606
90	2.0283	-1.0716	-0.2057	1.5935	0.8359	0.8594	-0.0677	-0.1232	-0.0655	0.0014	0.0514	0.1308	0.0083	0.0403	0.0163	0.0371	-0.0096	0.0022	0.0723	0.0184	0.0639	19.627	6.859	-26.431
91	0.9564	-0.3898	0.3776	1.7237	-0.3983	0.9022	0.0173	0.0525	-0.0033	-0.0772	0.0079	-0.0101	-0.0019	-0.0076	-0.0251	0.0401	-0.0181	0.0204	0.0381	0.0071	0.0277	35.08	-3.977	-30.451
92	0.7039	-0.1052	-0.3993	1.7772	0.9473	0.8641	0.0125	0.0549	0.1194	-0.0799	0.0094	-0.1265	-0.0887	0.0543	-0.022	0.0479	-0.0138	-0.0056	0.0589	0.032	0.0958	42.644	5.32	-27.115
93	1.926	-0.5775	1.0336	0.2601	-0.6179	1.8946	-0.0625	0.0023	0.2061	0.0223	0.0257	-0.0448	-0.1911	-0.0192	0.0368	0.1073	-0.018	-0.0038	0.0552	-0.0079	0.0953	33.551	14.907	-19.225

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1 - 78
2	X-RAY DIFFRACTION	2	A	79 - 116
3	X-RAY DIFFRACTION	3	A	117 - 218
4	X-RAY DIFFRACTION	4	A	219 - 243
5	X-RAY DIFFRACTION	5	A	244 - 317
6	X-RAY DIFFRACTION	6	B	1 - 19
7	X-RAY DIFFRACTION	7	B	20 - 38
8	X-RAY DIFFRACTION	8	B	39 - 75
9	X-RAY DIFFRACTION	9	B	76 - 97
10	X-RAY DIFFRACTION	10	B	98 - 119
11	X-RAY DIFFRACTION	11	B	120 - 243
12	X-RAY DIFFRACTION	12	B	244 - 317
13	X-RAY DIFFRACTION	13	C	1 - 19
14	X-RAY DIFFRACTION	14	C	20 - 38
15	X-RAY DIFFRACTION	15	C	39 - 75
16	X-RAY DIFFRACTION	16	C	76 - 97
17	X-RAY DIFFRACTION	17	C	98 - 119
18	X-RAY DIFFRACTION	18	C	120 - 243
19	X-RAY DIFFRACTION	19	C	244 - 286
20	X-RAY DIFFRACTION	20	C	287 - 317
21	X-RAY DIFFRACTION	21	D	1 - 20
22	X-RAY DIFFRACTION	22	D	21 - 39
23	X-RAY DIFFRACTION	23	D	40 - 75
24	X-RAY DIFFRACTION	24	D	76 - 97
25	X-RAY DIFFRACTION	25	D	98 - 119
26	X-RAY DIFFRACTION	26	D	120 - 243
27	X-RAY DIFFRACTION	27	D	244 - 286
28	X-RAY DIFFRACTION	28	D	287 - 317
29	X-RAY DIFFRACTION	29	E	1 - 20
30	X-RAY DIFFRACTION	30	E	21 - 38
31	X-RAY DIFFRACTION	31	E	39 - 75
32	X-RAY DIFFRACTION	32	E	76 - 97
33	X-RAY DIFFRACTION	33	E	98 - 119
34	X-RAY DIFFRACTION	34	E	120 - 243
35	X-RAY DIFFRACTION	35	E	244 - 286
36	X-RAY DIFFRACTION	36	E	287 - 317
37	X-RAY DIFFRACTION	37	F	1 - 20
38	X-RAY DIFFRACTION	38	F	21 - 39
39	X-RAY DIFFRACTION	39	F	40 - 78
40	X-RAY DIFFRACTION	40	F	79 - 116
41	X-RAY DIFFRACTION	41	F	117 - 243
42	X-RAY DIFFRACTION	42	F	244 - 317
43	X-RAY DIFFRACTION	43	G	1 - 20
44	X-RAY DIFFRACTION	44	G	21 - 38
45	X-RAY DIFFRACTION	45	G	39 - 75
46	X-RAY DIFFRACTION	46	G	76 - 97
47	X-RAY DIFFRACTION	47	G	98 - 119
48	X-RAY DIFFRACTION	48	G	120 - 226
49	X-RAY DIFFRACTION	49	G	227 - 243
50	X-RAY DIFFRACTION	50	G	244 - 286
51	X-RAY DIFFRACTION	51	G	287 - 317
52	X-RAY DIFFRACTION	52	H	1 - 20
53	X-RAY DIFFRACTION	53	H	21 - 37
54	X-RAY DIFFRACTION	54	H	38 - 75
55	X-RAY DIFFRACTION	55	H	76 - 97
56	X-RAY DIFFRACTION	56	H	98 - 119
57	X-RAY DIFFRACTION	57	H	120 - 243
58	X-RAY DIFFRACTION	58	H	244 - 286
59	X-RAY DIFFRACTION	59	H	287 - 317
60	X-RAY DIFFRACTION	60	I	1 - 19
61	X-RAY DIFFRACTION	61	I	20 - 38
62	X-RAY DIFFRACTION	62	I	39 - 75
63	X-RAY DIFFRACTION	63	I	76 - 97
64	X-RAY DIFFRACTION	64	I	98 - 119
65	X-RAY DIFFRACTION	65	I	120 - 243
66	X-RAY DIFFRACTION	66	I	244 - 286
67	X-RAY DIFFRACTION	67	I	287 - 317
68	X-RAY DIFFRACTION	68	J	1 - 19
69	X-RAY DIFFRACTION	69	J	20 - 38
70	X-RAY DIFFRACTION	70	J	39 - 75
71	X-RAY DIFFRACTION	71	J	76 - 97
72	X-RAY DIFFRACTION	72	J	98 - 119
73	X-RAY DIFFRACTION	73	J	120 - 243
74	X-RAY DIFFRACTION	74	J	244 - 284
75	X-RAY DIFFRACTION	75	J	285 - 299
76	X-RAY DIFFRACTION	76	J	300 - 317
77	X-RAY DIFFRACTION	77	K	1 - 19
78	X-RAY DIFFRACTION	78	K	20 - 38
79	X-RAY DIFFRACTION	79	K	39 - 75
80	X-RAY DIFFRACTION	80	K	76 - 97
81	X-RAY DIFFRACTION	81	K	98 - 119
82	X-RAY DIFFRACTION	82	K	120 - 243
83	X-RAY DIFFRACTION	83	K	244 - 284
84	X-RAY DIFFRACTION	84	K	285 - 299
85	X-RAY DIFFRACTION	85	K	300 - 317
86	X-RAY DIFFRACTION	86	L	1 - 20
87	X-RAY DIFFRACTION	87	L	21 - 39
88	X-RAY DIFFRACTION	88	L	40 - 75
89	X-RAY DIFFRACTION	89	L	76 - 97
90	X-RAY DIFFRACTION	90	L	98 - 119
91	X-RAY DIFFRACTION	91	L	120 - 243
92	X-RAY DIFFRACTION	92	L	244 - 286
93	X-RAY DIFFRACTION	93	L	287 - 317

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