PDB-3u8m: Crystal structure of the acetylcholine binding protein (AChBP) fr...

Basic information

• Entry: Database: PDB / ID: 3u8m
• Title: Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane)
• Components: Acetylcholine-binding protein
• Keywords: Acetylcholine-binding protein/agonist / Lymnaea stagnalis / agonist / Ligand-bindig domain / Acetylcholine / Acetylcholine-binding protein / Acetylcholine-binding protein-agonist complex

Function / homology

Function:

synaptic cleft / extracellular ligand-gated monoatomic ion channel activity / transmembrane signaling receptor activity / synapse / membrane

Domain/homology:

Acetylcholine Binding Protein; Chain: A, / Neurotransmitter-gated ion-channel ligand-binding domain / Neurotransmitter-gated ion-channel / Neurotransmitter-gated ion-channel ligand-binding domain / Neurotransmitter-gated ion-channel ligand-binding domain superfamily / Neurotransmitter-gated ion-channel ligand binding domain / Distorted Sandwich / Ig-like domain profile. / Immunoglobulin-like domain / Mainly Beta

Component:

1-(6-bromopyridin-3-yl)-1,4-diazepane / Acetylcholine-binding protein

• Biological species: Lymnaea stagnalis (great pond snail)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å
• Authors: Rohde, L.A.H. / Ahring, P.K. / Jensen, M.L. / Nielsen, E.O. / Peters, D. / Helgstrand, C. / Krintel, C. / Harpsoe, K. / Gajhede, M. / Kastrup, J.S. / Balle, T.
• Citation: Journal: J.Biol.Chem. / Year: 2012; Title: Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.; Authors: Rohde, L.A. / Ahring, P.K. / Jensen, M.L. / Nielsen, E. / Peters, D. / Helgstrand, C. / Krintel, C. / Harpse, K. / Gajhede, M. / Kastrup, J.S. / Balle, T.

History

Deposition	Oct 17, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 14, 2011	Provider: repository / Type: Initial release
Revision 1.1	Sep 18, 2013	Group: Database references
Revision 1.2	Mar 7, 2018	Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Revision 1.3	Sep 13, 2023	Group: Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Assembly

Deposited unit

A: Acetylcholine-binding protein

B: Acetylcholine-binding protein

C: Acetylcholine-binding protein

D: Acetylcholine-binding protein

E: Acetylcholine-binding protein

F: Acetylcholine-binding protein

G: Acetylcholine-binding protein

H: Acetylcholine-binding protein

I: Acetylcholine-binding protein

J: Acetylcholine-binding protein

K: Acetylcholine-binding protein

L: Acetylcholine-binding protein

M: Acetylcholine-binding protein

N: Acetylcholine-binding protein

O: Acetylcholine-binding protein

P: Acetylcholine-binding protein

Q: Acetylcholine-binding protein

R: Acetylcholine-binding protein

S: Acetylcholine-binding protein

T: Acetylcholine-binding protein

hetero molecules

Summary:

• 484 kDa, 20 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	484,006	57
Polymers	477,250	20
Non-polymers	6,756	37
Water	5,909	328

1

A: Acetylcholine-binding protein

B: Acetylcholine-binding protein

C: Acetylcholine-binding protein

D: Acetylcholine-binding protein

E: Acetylcholine-binding protein

hetero molecules

Summary:

• defined by author&software
• 121 kDa, 5 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	121,170	16
Polymers	119,313	5
Non-polymers	1,857	11
Water	90	5

Symmetry operations:

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

Calculated values:

Buried area	15030 Å2
ΔGint	-109 kcal/mol
Surface area	40670 Å2
Method	PISA

2

F: Acetylcholine-binding protein

G: Acetylcholine-binding protein

H: Acetylcholine-binding protein

I: Acetylcholine-binding protein

J: Acetylcholine-binding protein

hetero molecules

Summary:

• defined by author&software
• 121 kDa, 5 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	121,074	15
Polymers	119,313	5
Non-polymers	1,761	10
Water	90	5

Symmetry operations:

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

Calculated values:

Buried area	15180 Å2
ΔGint	-110 kcal/mol
Surface area	41010 Å2
Method	PISA

3

K: Acetylcholine-binding protein

L: Acetylcholine-binding protein

M: Acetylcholine-binding protein

N: Acetylcholine-binding protein

O: Acetylcholine-binding protein

hetero molecules

Summary:

• defined by author&software
• 121 kDa, 5 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	120,978	14
Polymers	119,313	5
Non-polymers	1,665	9
Water	90	5

Symmetry operations:

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

Calculated values:

Buried area	14920 Å2
ΔGint	-111 kcal/mol
Surface area	41180 Å2
Method	PISA

4

P: Acetylcholine-binding protein

Q: Acetylcholine-binding protein

R: Acetylcholine-binding protein

S: Acetylcholine-binding protein

T: Acetylcholine-binding protein

hetero molecules

Summary:

• defined by author&software
• 121 kDa, 5 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	120,785	12
Polymers	119,313	5
Non-polymers	1,473	7
Water	90	5

Symmetry operations:

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

Calculated values:

Buried area	14110 Å2
ΔGint	-65 kcal/mol
Surface area	40430 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	233.057, 268.453, 73.259
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	18
Space group name H-M	P21212

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
5	1
6	1
7	1
8	1
9	1
10	1
11	1
12	1
13	1
14	1
15	1
16	1
17	1
18	1
19	1
1	2
2	2
3	2
4	2
5	2
6	2
7	2
8	2
9	2
10	2
11	2
12	2
13	2
14	2
15	2
16	2
17	2
18	2
1	3
2	3
3	3
4	3
5	3
6	3
7	3
8	3
9	3
10	3
11	3
12	3
13	3
14	3
15	3
16	3
17	3
18	3
19	3
1	4
2	4
3	4
4	4
5	4
6	4
7	4
8	4
9	4
10	4
11	4
12	4
13	4
14	4
15	4
16	4
17	4
18	4
19	4
1	5
2	5
3	5
4	5
5	5
6	5
7	5
8	5
9	5
10	5
11	5
12	5
13	5
14	5
15	5
16	5
17	5
18	5
19	5
1	6
2	6
3	6
4	6
5	6
6	6
7	6
8	6
9	6
10	6
11	6
12	6
13	6
14	6
15	6
16	6
17	6
18	6
19	6
1	7
2	7
3	7
4	7
5	7
6	7
7	7
8	7
9	7
10	7
11	7
12	7
13	7
14	7
15	7
16	7
17	7
18	7
19	7
1	8
2	8
3	8
4	8
5	8
6	8
7	8
8	8
9	8
10	8
11	8
12	8
13	8
14	8
15	8
16	8
17	8
18	8
19	8
1	9
2	9
3	9
4	9
5	9
6	9
7	9
8	9
9	9
10	9
11	9
12	9
13	9
14	9
15	9
16	9
17	9
18	9
19	9
1	10
2	10
3	10
4	10
5	10
6	10
7	10
8	10
9	10
10	10
11	10
12	10
13	10
14	10
15	10
16	10
17	10
18	10
19	10
1	11
2	11
3	11
4	11
5	11
6	11
7	11
8	11
9	11
10	11
11	11
12	11
13	11
14	11
15	11
16	11
17	11
18	11
19	11
1	12
2	12
3	12
4	12
5	12
6	12
7	12
8	12
9	12
10	12
11	12
12	12
13	12
14	12
15	12
16	12
17	12
18	12
19	12
1	13
2	13
3	13
4	13
5	13
6	13
7	13
8	13
9	13
10	13
11	13
12	13
13	13
14	13
15	13
16	13
17	13
18	13
1	14
2	14
3	14
4	14
5	14
6	14
7	14
8	14
9	14
10	14
11	14
12	14
13	14
14	14
15	14
16	14
17	14
18	14
19	14
1	15
2	15
3	15
4	15
5	15
6	15
7	15
8	15
9	15
10	15
11	15
12	15
13	15
14	15
15	15
16	15
17	15
18	15
19	15

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	chain A and resid 1:8
2	1	1	chain B and resid 1:8
3	1	1	chain C and resid 1:8
4	1	1	chain D and resid 1:8
5	1	1	chain E and resid 1:8
6	1	1	chain F and resid 1:8
7	1	1	chain G and resid 1:8
8	1	1	chain H and resid 1:8
9	1	1	chain I and resid 1:8
10	1	1	chain L and resid 1:8
11	1	1	chain K and resid 1:8
12	1	1	chain M and resid 1:8
13	1	1	chain N and resid 1:8
14	1	1	chain O and resid 1:8
15	1	1	chain P and resid 1:8
16	1	1	chain Q and resid 1:8
17	1	1	chain R and resid 1:8
18	1	1	chain S and resid 1:8
19	1	1	chain T and resid 1:8
1	1	2	chain A and resid 9:10
2	1	2	chain B and resid 9:10
3	1	2	chain C and resid 9:10
4	1	2	chain D and resid 9:10
5	1	2	chain E and resid 9:10
6	1	2	chain F and resid 9:10
7	1	2	chain G and resid 9:10
8	1	2	chain H and resid 9:10
9	1	2	chain I and resid 9:10
10	1	2	chain K and resid 9:10
11	1	2	chain M and resid 9:10
12	1	2	chain N and resid 9:10
13	1	2	chain O and resid 9:10
14	1	2	chain P and resid 9:10
15	1	2	chain Q and resid 9:10
16	1	2	chain R and resid 9:10
17	1	2	chain S and resid 9:10
18	1	2	chain T and resid 9:10
1	1	3	chain A and resid 12
2	1	3	chain B and resid 12
3	1	3	chain C and resid 12
4	1	3	chain D and resid 12
5	1	3	chain E and resid 12
6	1	3	chain F and resid 12
7	1	3	chain G and resid 12
8	1	3	chain H and resid 12
9	1	3	chain I and resid 12
10	1	3	chain L and resid 12
11	1	3	chain K and resid 12
12	1	3	chain M and resid 12
13	1	3	chain N and resid 12
14	1	3	chain O and resid 12
15	1	3	chain P and resid 12
16	1	3	chain Q and resid 12
17	1	3	chain R and resid 12
18	1	3	chain S and resid 12
19	1	3	chain T and resid 12
1	1	4	chain A and resid 16
2	1	4	chain B and resid 16
3	1	4	chain C and resid 16
4	1	4	chain D and resid 16
5	1	4	chain E and resid 16
6	1	4	chain F and resid 16
7	1	4	chain G and resid 16
8	1	4	chain H and resid 16
9	1	4	chain I and resid 16
10	1	4	chain L and resid 16
11	1	4	chain K and resid 16
12	1	4	chain M and resid 16
13	1	4	chain N and resid 16
14	1	4	chain O and resid 16
15	1	4	chain P and resid 16
16	1	4	chain Q and resid 16
17	1	4	chain R and resid 16
18	1	4	chain S and resid 16
19	1	4	chain T and resid 16
1	1	5	chain A and resid 17:20
2	1	5	chain B and resid 17:20
3	1	5	chain C and resid 17:20
4	1	5	chain D and resid 17:20
5	1	5	chain E and resid 17:20
6	1	5	chain F and resid 17:20
7	1	5	chain G and resid 17:20
8	1	5	chain H and resid 17:20
9	1	5	chain I and resid 17:20
10	1	5	chain L and resid 17:20
11	1	5	chain K and resid 17:20
12	1	5	chain M and resid 17:20
13	1	5	chain N and resid 17:20
14	1	5	chain O and resid 17:20
15	1	5	chain P and resid 17:20
16	1	5	chain Q and resid 17:20
17	1	5	chain R and resid 17:20
18	1	5	chain S and resid 17:20
19	1	5	chain T and resid 17:20
1	1	6	chain A and resid 26:39
2	1	6	chain B and resid 26:39
3	1	6	chain C and resid 26:39
4	1	6	chain D and resid 26:39
5	1	6	chain E and resid 26:39
6	1	6	chain F and resid 26:39
7	1	6	chain G and resid 26:39
8	1	6	chain H and resid 26:39
9	1	6	chain I and resid 26:39
10	1	6	chain L and resid 26:39
11	1	6	chain K and resid 26:39
12	1	6	chain M and resid 26:39
13	1	6	chain N and resid 26:39
14	1	6	chain O and resid 26:39
15	1	6	chain P and resid 26:39
16	1	6	chain Q and resid 26:39
17	1	6	chain R and resid 26:39
18	1	6	chain S and resid 26:39
19	1	6	chain T and resid 26:39
1	1	7	chain A and resid 41:119
2	1	7	chain B and resid 41:119
3	1	7	chain C and resid 41:119
4	1	7	chain D and resid 41:119
5	1	7	chain E and resid 41:119
6	1	7	chain F and resid 41:119
7	1	7	chain G and resid 41:119
8	1	7	chain H and resid 41:119
9	1	7	chain I and resid 41:119
10	1	7	chain L and resid 41:119
11	1	7	chain K and resid 41:119
12	1	7	chain M and resid 41:119
13	1	7	chain N and resid 41:119
14	1	7	chain O and resid 41:119
15	1	7	chain P and resid 41:119
16	1	7	chain Q and resid 41:119
17	1	7	chain R and resid 41:119
18	1	7	chain S and resid 41:119
19	1	7	chain T and resid 41:119
1	1	8	chain A and resid 121:130
2	1	8	chain B and resid 121:130
3	1	8	chain C and resid 121:130
4	1	8	chain D and resid 121:130
5	1	8	chain E and resid 121:130
6	1	8	chain F and resid 121:130
7	1	8	chain G and resid 121:130
8	1	8	chain H and resid 121:130
9	1	8	chain I and resid 121:130
10	1	8	chain L and resid 121:130
11	1	8	chain K and resid 121:130
12	1	8	chain M and resid 121:130
13	1	8	chain N and resid 121:130
14	1	8	chain O and resid 121:130
15	1	8	chain P and resid 121:130
16	1	8	chain Q and resid 121:130
17	1	8	chain R and resid 121:130
18	1	8	chain S and resid 121:130
19	1	8	chain T and resid 121:130
1	1	9	chain A and resid 133:136
2	1	9	chain B and resid 133:136
3	1	9	chain C and resid 133:136
4	1	9	chain D and resid 133:136
5	1	9	chain E and resid 133:136
6	1	9	chain F and resid 133:136
7	1	9	chain G and resid 133:136
8	1	9	chain H and resid 133:136
9	1	9	chain I and resid 133:136
10	1	9	chain L and resid 133:136
11	1	9	chain K and resid 133:136
12	1	9	chain M and resid 133:136
13	1	9	chain N and resid 133:136
14	1	9	chain O and resid 133:136
15	1	9	chain P and resid 133:136
16	1	9	chain Q and resid 133:136
17	1	9	chain R and resid 133:136
18	1	9	chain S and resid 133:136
19	1	9	chain T and resid 133:136
1	1	10	chain A and resid 138:147
2	1	10	chain B and resid 138:147
3	1	10	chain C and resid 138:147
4	1	10	chain D and resid 138:147
5	1	10	chain E and resid 138:147
6	1	10	chain F and resid 138:147
7	1	10	chain G and resid 138:147
8	1	10	chain H and resid 138:147
9	1	10	chain I and resid 138:147
10	1	10	chain L and resid 138:147
11	1	10	chain K and resid 138:147
12	1	10	chain M and resid 138:147
13	1	10	chain N and resid 138:147
14	1	10	chain O and resid 138:147
15	1	10	chain P and resid 138:147
16	1	10	chain Q and resid 138:147
17	1	10	chain R and resid 138:147
18	1	10	chain S and resid 138:147
19	1	10	chain T and resid 138:147
1	1	11	chain A and resid 149:154
2	1	11	chain B and resid 149:154
3	1	11	chain C and resid 149:154
4	1	11	chain D and resid 149:154
5	1	11	chain E and resid 149:154
6	1	11	chain F and resid 149:154
7	1	11	chain G and resid 149:154
8	1	11	chain H and resid 149:154
9	1	11	chain I and resid 149:154
10	1	11	chain L and resid 149:154
11	1	11	chain K and resid 149:154
12	1	11	chain M and resid 149:154
13	1	11	chain N and resid 149:154
14	1	11	chain O and resid 149:154
15	1	11	chain P and resid 149:154
16	1	11	chain Q and resid 149:154
17	1	11	chain R and resid 149:154
18	1	11	chain S and resid 149:154
19	1	11	chain T and resid 149:154
1	1	12	chain A and resid 162:179
2	1	12	chain B and resid 162:179
3	1	12	chain C and resid 162:179
4	1	12	chain D and resid 162:179
5	1	12	chain E and resid 162:179
6	1	12	chain F and resid 162:179
7	1	12	chain G and resid 162:179
8	1	12	chain H and resid 162:179
9	1	12	chain I and resid 162:179
10	1	12	chain L and resid 162:179
11	1	12	chain K and resid 162:179
12	1	12	chain M and resid 162:179
13	1	12	chain N and resid 162:179
14	1	12	chain O and resid 162:179
15	1	12	chain P and resid 162:179
16	1	12	chain Q and resid 162:179
17	1	12	chain R and resid 162:179
18	1	12	chain S and resid 162:179
19	1	12	chain T and resid 162:179
1	1	13	chain A and resid 180:184
2	1	13	chain B and resid 180:184
3	1	13	chain C and resid 180:184
4	1	13	chain E and resid 180:184
5	1	13	chain F and resid 180:184
6	1	13	chain G and resid 180:184
7	1	13	chain H and resid 180:184
8	1	13	chain I and resid 180:184
9	1	13	chain L and resid 180:184
10	1	13	chain K and resid 180:184
11	1	13	chain M and resid 180:184
12	1	13	chain N and resid 180:184
13	1	13	chain O and resid 180:184
14	1	13	chain P and resid 180:184
15	1	13	chain Q and resid 180:184
16	1	13	chain R and resid 180:184
17	1	13	chain S and resid 180:184
18	1	13	chain T and resid 180:184
1	1	14	chain A and resid 185:186
2	1	14	chain B and resid 185:186
3	1	14	chain C and resid 185:186
4	1	14	chain D and resid 185:186
5	1	14	chain E and resid 185:186
6	1	14	chain F and resid 185:186
7	1	14	chain G and resid 185:186
8	1	14	chain H and resid 185:186
9	1	14	chain I and resid 185:186
10	1	14	chain L and resid 185:186
11	1	14	chain K and resid 185:186
12	1	14	chain M and resid 185:186
13	1	14	chain N and resid 185:186
14	1	14	chain O and resid 185:186
15	1	14	chain P and resid 185:186
16	1	14	chain Q and resid 185:186
17	1	14	chain R and resid 185:186
18	1	14	chain S and resid 185:186
19	1	14	chain T and resid 185:186
1	1	15	chain A and resid 188:202
2	1	15	chain B and resid 188:202
3	1	15	chain C and resid 188:202
4	1	15	chain D and resid 188:202
5	1	15	chain E and resid 188:202
6	1	15	chain F and resid 188:202
7	1	15	chain G and resid 188:202
8	1	15	chain H and resid 188:202
9	1	15	chain I and resid 188:202
10	1	15	chain L and resid 188:202
11	1	15	chain K and resid 188:202
12	1	15	chain M and resid 188:202
13	1	15	chain N and resid 188:202
14	1	15	chain O and resid 188:202
15	1	15	chain P and resid 188:202
16	1	15	chain Q and resid 188:202
17	1	15	chain R and resid 188:202
18	1	15	chain S and resid 188:202
19	1	15	chain T and resid 188:202

NCS ensembles :

ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15

Components

#1: Protein

A B C D E F G H I J K L M N O P Q R S T
Acetylcholine-binding protein / ACh-binding protein / AchBP

Details:

Mass: 23862.523 Da / Num. of mol.: 20
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lymnaea stagnalis (great pond snail) / Production host: Spodoptera frugiperda (fall armyworm) / Strain (production host): Sf9 / References: UniProt: P58154

#2: Chemical

A-211 B-211 C-211 D-211 E-211 F-211 G-211 H-211 I-211 J-211 K-211 L-211 M-211 N-211 O-211 P-211 Q-211 R-211 S-211 T-211
ChemComp-09R / 1-(6-bromopyridin-3-yl)-1,4-diazepane

Details:

Mass: 256.142 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: C₁₀H₁₄BrN₃

#3: Chemical

A-212 B-212 B-213 D-212 D-214 D-213 F-212 F-213 H-212 I-212 J-212 K-212 L-212 L-213 N-212 R-212 T-212
ChemComp-SO4 / SULFATE ION

Details:

Mass: 96.063 Da / Num. of mol.: 17 / Source method: obtained synthetically / Formula: SO₄

#4: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 328 / Source method: isolated from a natural source / Formula: H₂O

• Has protein modification: Y

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.4 ų/Da / Density % sol: 48.77 %
• Crystal grow: Temperature: 293 K / pH: 8 ; Details: 50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: MAX II / Beamline: I911-2 / Wavelength: 1.038
• Detector: Type: MAR CCD 165 mm / Detector: CCD / Date: Apr 8, 2010
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1.038 Å / Relative weight: 1
• Reflection: Resolution: 2.7→30.01 Å / Num. obs: 120656 / % possible obs: 94.9 % / Redundancy: 5.3 % / B_iso Wilson estimate: 29.2 Ų / R_merge(I) obs: 0.109 / R_sym value: 0.109 / Net I/σ(I): 14.1
• Reflection shell: Resolution: 2.7→2.85 Å / Redundancy: 5.4 % / R_merge(I) obs: 0.38 / Mean I/σ(I) obs: 2 / R_sym value: 0.38 / % possible all: 98

Processing

Software

Name	Version	Classification	NB
SCALA	3.3.9	data scaling
PHENIX	1.6.4_486	refinement
PDB_EXTRACT	3.1	data extraction
MOSFLM		data reduction
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1UW6: PENTAMER, CHAIN A-E

1uw6

Resolution: 2.7→30.01 Å / Occupancy max: 1 / Occupancy min: 0.5 / SU ML: 0.37 / Isotropic thermal model: Restrained / σ(F): 1.34 / Phase error: 26.19 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.275	2501	2.01 %
Rwork	0.219	-	-
obs	0.22	120656	97.8 %

• Solvent computation: Shrinkage radii: 0.95 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 20.67 Ų / k_sol: 0.34 e/ų

Displacement parameters

B_iso mean: 32.16 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	-12.7398 Å2	0 Å2	-0 Å2
2-	-	16.8861 Å2	-0 Å2
3-	-	-	-4.1464 Å2

Refinement step

Cycle: LAST / Resolution: 2.7→30.01 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	32059	0	365	328	32752

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	33202
X-RAY DIFFRACTION	f_angle_d	1.053	45205
X-RAY DIFFRACTION	f_dihedral_angle_d	14.607	12172
X-RAY DIFFRACTION	f_chiral_restr	0.064	5121
X-RAY DIFFRACTION	f_plane_restr	0.005	5804

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	68	X-RAY DIFFRACTION	POSITIONAL
1	2	B	68	X-RAY DIFFRACTION	POSITIONAL	0.042
1	3	C	68	X-RAY DIFFRACTION	POSITIONAL	0.053
1	4	D	68	X-RAY DIFFRACTION	POSITIONAL	0.045
1	5	E	68	X-RAY DIFFRACTION	POSITIONAL	0.047
1	6	F	68	X-RAY DIFFRACTION	POSITIONAL	0.046
1	7	G	68	X-RAY DIFFRACTION	POSITIONAL	0.039
1	8	H	68	X-RAY DIFFRACTION	POSITIONAL	0.045
1	9	I	68	X-RAY DIFFRACTION	POSITIONAL	0.045
1	10	L	68	X-RAY DIFFRACTION	POSITIONAL	0.041
1	11	K	68	X-RAY DIFFRACTION	POSITIONAL	0.05
1	12	M	68	X-RAY DIFFRACTION	POSITIONAL	0.04
1	13	N	68	X-RAY DIFFRACTION	POSITIONAL	0.045
1	14	O	68	X-RAY DIFFRACTION	POSITIONAL	0.047
1	15	P	68	X-RAY DIFFRACTION	POSITIONAL	0.044
1	16	Q	68	X-RAY DIFFRACTION	POSITIONAL	0.05
1	17	R	68	X-RAY DIFFRACTION	POSITIONAL	0.043
1	18	S	68	X-RAY DIFFRACTION	POSITIONAL	0.05
1	19	T	68	X-RAY DIFFRACTION	POSITIONAL	0.039
2	1	A	16	X-RAY DIFFRACTION	POSITIONAL
2	2	B	16	X-RAY DIFFRACTION	POSITIONAL	0.048
2	3	C	16	X-RAY DIFFRACTION	POSITIONAL	0.05
2	4	D	16	X-RAY DIFFRACTION	POSITIONAL	0.041
2	5	E	16	X-RAY DIFFRACTION	POSITIONAL	0.049
2	6	F	16	X-RAY DIFFRACTION	POSITIONAL	0.042
2	7	G	16	X-RAY DIFFRACTION	POSITIONAL	0.039
2	8	H	16	X-RAY DIFFRACTION	POSITIONAL	0.038
2	9	I	16	X-RAY DIFFRACTION	POSITIONAL	0.027
2	10	K	16	X-RAY DIFFRACTION	POSITIONAL	0.053
2	11	M	16	X-RAY DIFFRACTION	POSITIONAL	0.043
2	12	N	16	X-RAY DIFFRACTION	POSITIONAL	0.028
2	13	O	16	X-RAY DIFFRACTION	POSITIONAL	0.047
2	14	P	16	X-RAY DIFFRACTION	POSITIONAL	0.051
2	15	Q	16	X-RAY DIFFRACTION	POSITIONAL	0.05
2	16	R	16	X-RAY DIFFRACTION	POSITIONAL	0.037
2	17	S	16	X-RAY DIFFRACTION	POSITIONAL	0.043
2	18	T	16	X-RAY DIFFRACTION	POSITIONAL	0.038
3	1	A	9	X-RAY DIFFRACTION	POSITIONAL
3	2	B	9	X-RAY DIFFRACTION	POSITIONAL	0.055
3	3	C	9	X-RAY DIFFRACTION	POSITIONAL	0.062
3	4	D	9	X-RAY DIFFRACTION	POSITIONAL	0.057
3	5	E	9	X-RAY DIFFRACTION	POSITIONAL	0.045
3	6	F	9	X-RAY DIFFRACTION	POSITIONAL	0.028
3	7	G	9	X-RAY DIFFRACTION	POSITIONAL	0.035
3	8	H	9	X-RAY DIFFRACTION	POSITIONAL	0.057
3	9	I	9	X-RAY DIFFRACTION	POSITIONAL	0.05
3	10	L	9	X-RAY DIFFRACTION	POSITIONAL	0.037
3	11	K	9	X-RAY DIFFRACTION	POSITIONAL	0.059
3	12	M	9	X-RAY DIFFRACTION	POSITIONAL	0.045
3	13	N	9	X-RAY DIFFRACTION	POSITIONAL	0.029
3	14	O	9	X-RAY DIFFRACTION	POSITIONAL	0.041
3	15	P	9	X-RAY DIFFRACTION	POSITIONAL	0.043
3	16	Q	9	X-RAY DIFFRACTION	POSITIONAL	0.034
3	17	R	9	X-RAY DIFFRACTION	POSITIONAL	0.061
3	18	S	9	X-RAY DIFFRACTION	POSITIONAL	0.046
3	19	T	9	X-RAY DIFFRACTION	POSITIONAL	0.055
4	1	A	7	X-RAY DIFFRACTION	POSITIONAL
4	2	B	7	X-RAY DIFFRACTION	POSITIONAL	0.039
4	3	C	7	X-RAY DIFFRACTION	POSITIONAL	0.052
4	4	D	7	X-RAY DIFFRACTION	POSITIONAL	0.012
4	5	E	7	X-RAY DIFFRACTION	POSITIONAL	0.052
4	6	F	7	X-RAY DIFFRACTION	POSITIONAL	0.049
4	7	G	7	X-RAY DIFFRACTION	POSITIONAL	0.028
4	8	H	7	X-RAY DIFFRACTION	POSITIONAL	0.026
4	9	I	7	X-RAY DIFFRACTION	POSITIONAL	0.037
4	10	L	7	X-RAY DIFFRACTION	POSITIONAL	0.03
4	11	K	7	X-RAY DIFFRACTION	POSITIONAL	0.042
4	12	M	7	X-RAY DIFFRACTION	POSITIONAL	0.04
4	13	N	7	X-RAY DIFFRACTION	POSITIONAL	0.029
4	14	O	7	X-RAY DIFFRACTION	POSITIONAL	0.043
4	15	P	7	X-RAY DIFFRACTION	POSITIONAL	0.038
4	16	Q	7	X-RAY DIFFRACTION	POSITIONAL	0.034
4	17	R	7	X-RAY DIFFRACTION	POSITIONAL	0.035
4	18	S	7	X-RAY DIFFRACTION	POSITIONAL	0.055
4	19	T	7	X-RAY DIFFRACTION	POSITIONAL	0.023
5	1	A	30	X-RAY DIFFRACTION	POSITIONAL
5	2	B	30	X-RAY DIFFRACTION	POSITIONAL	0.042
5	3	C	30	X-RAY DIFFRACTION	POSITIONAL	0.048
5	4	D	30	X-RAY DIFFRACTION	POSITIONAL	0.042
5	5	E	30	X-RAY DIFFRACTION	POSITIONAL	0.033
5	6	F	30	X-RAY DIFFRACTION	POSITIONAL	0.04
5	7	G	30	X-RAY DIFFRACTION	POSITIONAL	0.038
5	8	H	30	X-RAY DIFFRACTION	POSITIONAL	0.047
5	9	I	30	X-RAY DIFFRACTION	POSITIONAL	0.041
5	10	L	30	X-RAY DIFFRACTION	POSITIONAL	0.04
5	11	K	30	X-RAY DIFFRACTION	POSITIONAL	0.042
5	12	M	30	X-RAY DIFFRACTION	POSITIONAL	0.039
5	13	N	30	X-RAY DIFFRACTION	POSITIONAL	0.037
5	14	O	30	X-RAY DIFFRACTION	POSITIONAL	0.039
5	15	P	30	X-RAY DIFFRACTION	POSITIONAL	0.038
5	16	Q	30	X-RAY DIFFRACTION	POSITIONAL	0.04
5	17	R	30	X-RAY DIFFRACTION	POSITIONAL	0.036
5	18	S	30	X-RAY DIFFRACTION	POSITIONAL	0.041
5	19	T	30	X-RAY DIFFRACTION	POSITIONAL	0.052
6	1	A	105	X-RAY DIFFRACTION	POSITIONAL
6	2	B	105	X-RAY DIFFRACTION	POSITIONAL	0.046
6	3	C	105	X-RAY DIFFRACTION	POSITIONAL	0.049
6	4	D	105	X-RAY DIFFRACTION	POSITIONAL	0.041
6	5	E	105	X-RAY DIFFRACTION	POSITIONAL	0.044
6	6	F	105	X-RAY DIFFRACTION	POSITIONAL	0.043
6	7	G	105	X-RAY DIFFRACTION	POSITIONAL	0.05
6	8	H	105	X-RAY DIFFRACTION	POSITIONAL	0.043
6	9	I	105	X-RAY DIFFRACTION	POSITIONAL	0.046
6	10	L	105	X-RAY DIFFRACTION	POSITIONAL	0.046
6	11	K	105	X-RAY DIFFRACTION	POSITIONAL	0.044
6	12	M	105	X-RAY DIFFRACTION	POSITIONAL	0.049
6	13	N	105	X-RAY DIFFRACTION	POSITIONAL	0.043
6	14	O	105	X-RAY DIFFRACTION	POSITIONAL	0.042
6	15	P	105	X-RAY DIFFRACTION	POSITIONAL	0.045
6	16	Q	105	X-RAY DIFFRACTION	POSITIONAL	0.043
6	17	R	105	X-RAY DIFFRACTION	POSITIONAL	0.045
6	18	S	105	X-RAY DIFFRACTION	POSITIONAL	0.048
6	19	T	105	X-RAY DIFFRACTION	POSITIONAL	0.049
7	1	A	621	X-RAY DIFFRACTION	POSITIONAL
7	2	B	621	X-RAY DIFFRACTION	POSITIONAL	0.047
7	3	C	621	X-RAY DIFFRACTION	POSITIONAL	0.046
7	4	D	621	X-RAY DIFFRACTION	POSITIONAL	0.047
7	5	E	609	X-RAY DIFFRACTION	POSITIONAL	0.046
7	6	F	621	X-RAY DIFFRACTION	POSITIONAL	0.044
7	7	G	621	X-RAY DIFFRACTION	POSITIONAL	0.044
7	8	H	621	X-RAY DIFFRACTION	POSITIONAL	0.048
7	9	I	621	X-RAY DIFFRACTION	POSITIONAL	0.045
7	10	L	621	X-RAY DIFFRACTION	POSITIONAL	0.047
7	11	K	621	X-RAY DIFFRACTION	POSITIONAL	0.046
7	12	M	621	X-RAY DIFFRACTION	POSITIONAL	0.045
7	13	N	621	X-RAY DIFFRACTION	POSITIONAL	0.048
7	14	O	621	X-RAY DIFFRACTION	POSITIONAL	0.046
7	15	P	621	X-RAY DIFFRACTION	POSITIONAL	0.048
7	16	Q	621	X-RAY DIFFRACTION	POSITIONAL	0.048
7	17	R	621	X-RAY DIFFRACTION	POSITIONAL	0.05
7	18	S	621	X-RAY DIFFRACTION	POSITIONAL	0.045
7	19	T	621	X-RAY DIFFRACTION	POSITIONAL	0.048
8	1	A	70	X-RAY DIFFRACTION	POSITIONAL
8	2	B	70	X-RAY DIFFRACTION	POSITIONAL	0.05
8	3	C	70	X-RAY DIFFRACTION	POSITIONAL	0.053
8	4	D	70	X-RAY DIFFRACTION	POSITIONAL	0.044
8	5	E	70	X-RAY DIFFRACTION	POSITIONAL	0.047
8	6	F	70	X-RAY DIFFRACTION	POSITIONAL	0.05
8	7	G	70	X-RAY DIFFRACTION	POSITIONAL	0.044
8	8	H	70	X-RAY DIFFRACTION	POSITIONAL	0.048
8	9	I	70	X-RAY DIFFRACTION	POSITIONAL	0.046
8	10	L	70	X-RAY DIFFRACTION	POSITIONAL	0.048
8	11	K	70	X-RAY DIFFRACTION	POSITIONAL	0.049
8	12	M	70	X-RAY DIFFRACTION	POSITIONAL	0.051
8	13	N	70	X-RAY DIFFRACTION	POSITIONAL	0.048
8	14	O	70	X-RAY DIFFRACTION	POSITIONAL	0.039
8	15	P	70	X-RAY DIFFRACTION	POSITIONAL	0.039
8	16	Q	70	X-RAY DIFFRACTION	POSITIONAL	0.054
8	17	R	67	X-RAY DIFFRACTION	POSITIONAL	0.046
8	18	S	70	X-RAY DIFFRACTION	POSITIONAL	0.046
8	19	T	70	X-RAY DIFFRACTION	POSITIONAL	0.043
9	1	A	22	X-RAY DIFFRACTION	POSITIONAL
9	2	B	22	X-RAY DIFFRACTION	POSITIONAL	0.038
9	3	C	22	X-RAY DIFFRACTION	POSITIONAL	0.051
9	4	D	22	X-RAY DIFFRACTION	POSITIONAL	0.037
9	5	E	22	X-RAY DIFFRACTION	POSITIONAL	0.044
9	6	F	22	X-RAY DIFFRACTION	POSITIONAL	0.043
9	7	G	22	X-RAY DIFFRACTION	POSITIONAL	0.035
9	8	H	22	X-RAY DIFFRACTION	POSITIONAL	0.039
9	9	I	22	X-RAY DIFFRACTION	POSITIONAL	0.065
9	10	L	22	X-RAY DIFFRACTION	POSITIONAL	0.035
9	11	K	22	X-RAY DIFFRACTION	POSITIONAL	0.045
9	12	M	22	X-RAY DIFFRACTION	POSITIONAL	0.039
9	13	N	22	X-RAY DIFFRACTION	POSITIONAL	0.054
9	14	O	22	X-RAY DIFFRACTION	POSITIONAL	0.053
9	15	P	22	X-RAY DIFFRACTION	POSITIONAL	0.038
9	16	Q	22	X-RAY DIFFRACTION	POSITIONAL	0.043
9	17	R	22	X-RAY DIFFRACTION	POSITIONAL	0.038
9	18	S	22	X-RAY DIFFRACTION	POSITIONAL	0.053
9	19	T	22	X-RAY DIFFRACTION	POSITIONAL	0.039
10	1	A	82	X-RAY DIFFRACTION	POSITIONAL
10	2	B	82	X-RAY DIFFRACTION	POSITIONAL	0.051
10	3	C	82	X-RAY DIFFRACTION	POSITIONAL	0.042
10	4	D	82	X-RAY DIFFRACTION	POSITIONAL	0.052
10	5	E	82	X-RAY DIFFRACTION	POSITIONAL	0.041
10	6	F	82	X-RAY DIFFRACTION	POSITIONAL	0.038
10	7	G	82	X-RAY DIFFRACTION	POSITIONAL	0.054
10	8	H	82	X-RAY DIFFRACTION	POSITIONAL	0.047
10	9	I	82	X-RAY DIFFRACTION	POSITIONAL	0.043
10	10	L	82	X-RAY DIFFRACTION	POSITIONAL	0.042
10	11	K	82	X-RAY DIFFRACTION	POSITIONAL	0.048
10	12	M	82	X-RAY DIFFRACTION	POSITIONAL	0.049
10	13	N	82	X-RAY DIFFRACTION	POSITIONAL	0.049
10	14	O	82	X-RAY DIFFRACTION	POSITIONAL	0.041
10	15	P	82	X-RAY DIFFRACTION	POSITIONAL	0.043
10	16	Q	82	X-RAY DIFFRACTION	POSITIONAL	0.043
10	17	R	82	X-RAY DIFFRACTION	POSITIONAL	0.039
10	18	S	82	X-RAY DIFFRACTION	POSITIONAL	0.051
10	19	T	82	X-RAY DIFFRACTION	POSITIONAL	0.048
11	1	A	45	X-RAY DIFFRACTION	POSITIONAL
11	2	B	45	X-RAY DIFFRACTION	POSITIONAL	0.044
11	3	C	45	X-RAY DIFFRACTION	POSITIONAL	0.042
11	4	D	40	X-RAY DIFFRACTION	POSITIONAL	0.05
11	5	E	45	X-RAY DIFFRACTION	POSITIONAL	0.038
11	6	F	45	X-RAY DIFFRACTION	POSITIONAL	0.05
11	7	G	45	X-RAY DIFFRACTION	POSITIONAL	0.047
11	8	H	45	X-RAY DIFFRACTION	POSITIONAL	0.034
11	9	I	45	X-RAY DIFFRACTION	POSITIONAL	0.054
11	10	L	45	X-RAY DIFFRACTION	POSITIONAL	0.036
11	11	K	45	X-RAY DIFFRACTION	POSITIONAL	0.052
11	12	M	45	X-RAY DIFFRACTION	POSITIONAL	0.042
11	13	N	45	X-RAY DIFFRACTION	POSITIONAL	0.051
11	14	O	45	X-RAY DIFFRACTION	POSITIONAL	0.048
11	15	P	45	X-RAY DIFFRACTION	POSITIONAL	0.05
11	16	Q	45	X-RAY DIFFRACTION	POSITIONAL	0.037
11	17	R	45	X-RAY DIFFRACTION	POSITIONAL	0.045
11	18	S	45	X-RAY DIFFRACTION	POSITIONAL	0.038
11	19	T	45	X-RAY DIFFRACTION	POSITIONAL	0.055
12	1	A	158	X-RAY DIFFRACTION	POSITIONAL
12	2	B	158	X-RAY DIFFRACTION	POSITIONAL	0.045
12	3	C	158	X-RAY DIFFRACTION	POSITIONAL	0.044
12	4	D	158	X-RAY DIFFRACTION	POSITIONAL	0.043
12	5	E	150	X-RAY DIFFRACTION	POSITIONAL	0.046
12	6	F	158	X-RAY DIFFRACTION	POSITIONAL	0.046
12	7	G	158	X-RAY DIFFRACTION	POSITIONAL	0.041
12	8	H	152	X-RAY DIFFRACTION	POSITIONAL	0.045
12	9	I	158	X-RAY DIFFRACTION	POSITIONAL	0.045
12	10	L	158	X-RAY DIFFRACTION	POSITIONAL	0.051
12	11	K	158	X-RAY DIFFRACTION	POSITIONAL	0.046
12	12	M	152	X-RAY DIFFRACTION	POSITIONAL	0.048
12	13	N	158	X-RAY DIFFRACTION	POSITIONAL	0.049
12	14	O	152	X-RAY DIFFRACTION	POSITIONAL	0.046
12	15	P	158	X-RAY DIFFRACTION	POSITIONAL	0.044
12	16	Q	158	X-RAY DIFFRACTION	POSITIONAL	0.113
12	17	R	158	X-RAY DIFFRACTION	POSITIONAL	0.05
12	18	S	158	X-RAY DIFFRACTION	POSITIONAL	0.048
12	19	T	158	X-RAY DIFFRACTION	POSITIONAL	0.045
13	1	A	37	X-RAY DIFFRACTION	POSITIONAL
13	2	B	37	X-RAY DIFFRACTION	POSITIONAL	0.044
13	3	C	37	X-RAY DIFFRACTION	POSITIONAL	0.046
13	4	E	37	X-RAY DIFFRACTION	POSITIONAL	0.057
13	5	F	37	X-RAY DIFFRACTION	POSITIONAL	0.038
13	6	G	37	X-RAY DIFFRACTION	POSITIONAL	0.041
13	7	H	37	X-RAY DIFFRACTION	POSITIONAL	0.054
13	8	I	37	X-RAY DIFFRACTION	POSITIONAL	0.036
13	9	L	37	X-RAY DIFFRACTION	POSITIONAL	0.037
13	10	K	37	X-RAY DIFFRACTION	POSITIONAL	0.056
13	11	M	37	X-RAY DIFFRACTION	POSITIONAL	0.047
13	12	N	37	X-RAY DIFFRACTION	POSITIONAL	0.039
13	13	O	37	X-RAY DIFFRACTION	POSITIONAL	0.044
13	14	P	37	X-RAY DIFFRACTION	POSITIONAL	0.041
13	15	Q	37	X-RAY DIFFRACTION	POSITIONAL	0.05
13	16	R	37	X-RAY DIFFRACTION	POSITIONAL	0.044
13	17	S	37	X-RAY DIFFRACTION	POSITIONAL	0.057
13	18	T	37	X-RAY DIFFRACTION	POSITIONAL	0.058
14	1	A	18	X-RAY DIFFRACTION	POSITIONAL
14	2	B	18	X-RAY DIFFRACTION	POSITIONAL	0.033
14	3	C	18	X-RAY DIFFRACTION	POSITIONAL	0.041
14	4	D	18	X-RAY DIFFRACTION	POSITIONAL	0.035
14	5	E	18	X-RAY DIFFRACTION	POSITIONAL	0.031
14	6	F	18	X-RAY DIFFRACTION	POSITIONAL	0.024
14	7	G	18	X-RAY DIFFRACTION	POSITIONAL	0.027
14	8	H	18	X-RAY DIFFRACTION	POSITIONAL	0.029
14	9	I	18	X-RAY DIFFRACTION	POSITIONAL	0.031
14	10	L	18	X-RAY DIFFRACTION	POSITIONAL	0.035
14	11	K	18	X-RAY DIFFRACTION	POSITIONAL	0.032
14	12	M	18	X-RAY DIFFRACTION	POSITIONAL	0.032
14	13	N	18	X-RAY DIFFRACTION	POSITIONAL	0.039
14	14	O	18	X-RAY DIFFRACTION	POSITIONAL	0.033
14	15	P	18	X-RAY DIFFRACTION	POSITIONAL	0.035
14	16	Q	18	X-RAY DIFFRACTION	POSITIONAL	0.029
14	17	R	18	X-RAY DIFFRACTION	POSITIONAL	0.037
14	18	S	18	X-RAY DIFFRACTION	POSITIONAL	0.037
14	19	T	18	X-RAY DIFFRACTION	POSITIONAL	0.02
15	1	A	123	X-RAY DIFFRACTION	POSITIONAL
15	2	B	123	X-RAY DIFFRACTION	POSITIONAL	0.048
15	3	C	123	X-RAY DIFFRACTION	POSITIONAL	0.057
15	4	D	123	X-RAY DIFFRACTION	POSITIONAL	0.057
15	5	E	123	X-RAY DIFFRACTION	POSITIONAL	0.044
15	6	F	123	X-RAY DIFFRACTION	POSITIONAL	0.047
15	7	G	123	X-RAY DIFFRACTION	POSITIONAL	0.05
15	8	H	123	X-RAY DIFFRACTION	POSITIONAL	0.05
15	9	I	123	X-RAY DIFFRACTION	POSITIONAL	0.048
15	10	L	123	X-RAY DIFFRACTION	POSITIONAL	0.041
15	11	K	123	X-RAY DIFFRACTION	POSITIONAL	0.049
15	12	M	123	X-RAY DIFFRACTION	POSITIONAL	0.049
15	13	N	123	X-RAY DIFFRACTION	POSITIONAL	0.051
15	14	O	123	X-RAY DIFFRACTION	POSITIONAL	0.05
15	15	P	123	X-RAY DIFFRACTION	POSITIONAL	0.049
15	16	Q	123	X-RAY DIFFRACTION	POSITIONAL	0.045
15	17	R	123	X-RAY DIFFRACTION	POSITIONAL	0.046
15	18	S	123	X-RAY DIFFRACTION	POSITIONAL	0.048
15	19	T	123	X-RAY DIFFRACTION	POSITIONAL	0.05

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.7-2.7519	0.3003	146	0.2386	6732	X-RAY DIFFRACTION	99
2.7519-2.808	0.3291	157	0.2516	6679	X-RAY DIFFRACTION	97
2.808-2.869	0.3955	134	0.2631	6719	X-RAY DIFFRACTION	99
2.869-2.9357	0.3403	163	0.2548	6653	X-RAY DIFFRACTION	97
2.9357-3.0091	0.2975	164	0.2347	6731	X-RAY DIFFRACTION	100
3.0091-3.0904	0.2609	130	0.2134	6725	X-RAY DIFFRACTION	98
3.0904-3.1812	0.2764	150	0.203	6713	X-RAY DIFFRACTION	98
3.1812-3.2838	0.2987	116	0.215	6836	X-RAY DIFFRACTION	100
3.2838-3.401	0.3342	126	0.2243	6754	X-RAY DIFFRACTION	98
3.401-3.5369	0.3077	145	0.2312	6739	X-RAY DIFFRACTION	98
3.5369-3.6976	0.4462	125	0.3797	6440	X-RAY DIFFRACTION	93
3.6976-3.8922	0.3472	126	0.2696	6370	X-RAY DIFFRACTION	92
3.8922-4.1355	0.2253	127	0.2038	6849	X-RAY DIFFRACTION	99
4.1355-4.4538	0.2093	124	0.1584	6870	X-RAY DIFFRACTION	99
4.4538-4.9003	0.1835	146	0.144	6882	X-RAY DIFFRACTION	99
4.9003-5.6054	0.1721	140	0.1617	6950	X-RAY DIFFRACTION	99
5.6054-7.047	0.2471	131	0.2038	6986	X-RAY DIFFRACTION	99
7.047-30.0084	0.2195	151	0.2018	7176	X-RAY DIFFRACTION	98

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	1.0567	1.1477	-1.1585	6.4183	-4.3154	3.7215	0.2472	0.2683	-0.0781	0.3744	0.3719	0.1585	0.0535	0.1194	0.682	0.1037	0.0473	-0.0015	0.513	-0.3746	0.0754	-53.5816	106.1847	-19.6112
2	0.6331	-1.2587	-0.5399	3.4461	1.7008	1.793	-0.3427	0.4357	0.403	-0.6708	-0.4282	0.0372	-0.3104	-0.9019	-0.0555	0.0742	-0.0583	0.0382	0.264	-0.0799	0.239	-53.6553	81.0988	-27.4224
3	0.7928	0.2729	0.2096	0.3734	0.0584	0.6853	0.4643	0.311	0.4755	-0.0964	0.423	0.1282	-0.2333	-0.2727	0.0435	0.2032	0.0014	0.1496	0.3183	0.032	0.1855	-54.248	66.4126	-5.5112
4	0.1045	0.0764	-0.0569	0.1206	0.0193	0.0843	0.1282	-0.4308	-0.9054	-0.2274	-0.0216	0.492	0.0893	0.2428	0.0021	0.0698	-0.0191	0.0219	0.4241	0.0045	0.56	-54.7717	81.7912	15.6993
5	1.5231	0.3494	-0.8957	1.6124	-0.4714	1.8699	0.5693	0.0481	0.169	0.1331	-0.0491	0.1174	0.4409	-0.4112	0.1606	0.2058	0.0522	-0.0829	0.1172	-0.0353	-0.0349	-54.3629	106.4499	6.78
6	1.1742	-0.9027	-0.1029	0.6955	0.0832	0.0097	0.0366	0.1963	0.2712	-0.1139	-0.0344	-0.1197	0.8827	0.1967	0.0255	0.2899	-0.0163	0.0129	0.4052	0.0421	0.0331	-62.445	100.2784	12.5011
7	0.0355	-0.031	-0.0361	0.1354	-0.1494	0.4807	0.36	-0.9136	0.1521	0.4356	0.1829	-0.316	-0.952	0.8335	0.0068	0.1677	-0.0566	0.0345	0.4073	-0.0796	0.2693	-63.0463	73.8563	10.7659
8	1.9181	1.3114	1.1132	1.4068	0.9298	0.7038	-0.237	-0.4056	-0.4544	0.1358	0.1998	-0.0173	-0.1572	0.8896	0.1115	0.2852	-0.061	0.1586	0.4724	0.1719	0.2087	-62.4609	67.6634	-14.9182
9	1.8787	-1.6223	1.4896	4.9226	-1.9914	2.4528	0.3257	-0.2182	-0.365	-1.0734	0.2622	0.0984	0.4327	0.3408	0.2737	0.238	-0.0947	0.0853	0.6001	-0.2455	0.2293	-61.4997	89.6566	-29.0061
10	1.6634	-0.1683	2.3268	0.2279	-0.3225	3.2874	-0.3103	0.6867	0.0994	0.3501	0.3035	-0.602	-0.1981	0.8755	-0.0501	0.1094	0.1024	-0.0385	0.1693	-0.1033	0.3232	-62.2506	40.5626	-23.8249
11	1.0412	0.5793	0.9059	0.5805	0.3692	1.8656	0.3268	0.9642	-0.5967	-0.1906	0.34	-0.6329	0.3612	0.7652	0.1291	0.1353	-0.0464	0.1013	0.5573	-0.0343	0.2764	-61.9106	31.6124	-48.3415
12	0.3003	0.3393	-0.8435	0.4763	-0.672	3.2074	-0.4608	-0.6849	0.4546	-0.0966	0.1333	-0.4549	-0.3849	0.7749	-0.0971	0.1445	0.0853	-0.0707	0.2149	-0.1882	0.1893	-62.596	19.6821	-7.8347
13	0.4737	0.2725	-0.5197	0.2608	-0.4732	0.8565	0.023	-0.8963	-0.3197	-0.0347	-0.1692	-0.557	0.1638	0.6714	-0.0154	0.1787	-0.0076	0.0245	0.2378	-0.1321	0.5292	-62.2677	-2.2629	-22.1149
14	1.0457	1.0036	-0.6986	1.9466	-0.4481	0.5115	0.0219	-0.3205	-0.6815	-0.5622	-0.5675	-0.0855	0.092	-0.0104	-0.1226	0.2132	-0.1092	0.0445	0.1642	-0.1477	0.3289	-61.8346	5.0869	-47.4693
15	0.0211	0.0106	0.0036	0.0573	-0.0546	0.1511	0.1828	0.073	-0.774	0.023	0.2323	0.4177	0.0415	-0.7512	0.0023	0.1846	-0.076	0.0879	0.3107	-0.1001	0.3216	-54.6033	27.9681	-9.627
16	0.3102	0.656	-0.4253	1.3938	-0.898	0.5803	0.0431	0.0274	-0.0342	0.4441	0.2253	0.2978	0.0119	-0.6672	0.033	0.0398	-0.0728	-0.0595	0.5197	-0.1261	0.2205	-54.125	41.4325	-32.0498
17	0.1241	0.0052	0.0521	0.0899	0.0661	0.0625	-0.2467	-0.4628	-0.1132	0.9592	-0.5169	0.1833	-0.0714	0.647	0.0003	0.3982	-0.0552	0.0495	0.3496	-0.1215	0.3125	-53.6558	23.6356	-51.1885
18	0.2215	-0.302	0.0171	1.1451	0.3092	0.1544	-0.1347	0.9153	-0.2318	-0.9942	-0.0509	0.9009	-0.4665	0.2111	-0.0059	0.2169	-0.0148	0.156	0.4229	-0.1174	0.361	-53.7347	-0.436	-41.049
19	0.0878	0.0519	-0.0508	0.0733	0.0099	0.064	-0.2398	-0.2686	-0.1704	0.354	0.1928	-0.112	-0.0777	-0.0064	-0.0014	0.165	0.0023	-0.088	0.4203	-0.1149	0.4637	-54.4333	2.3305	-14.9202
20	0.8762	-0.1013	-0.1055	0.171	-0.1784	0.248	0.2204	-0.009	-0.3285	0.0359	0.2361	-0.1116	0.1995	0.0353	0.5571	0.1246	-0.0224	-0.1609	0.3632	-0.0266	0.2976	-53.2134	99.4744	-21.528
21	0.5773	-0.0292	0.1799	0.648	0.4637	0.4012	-0.0601	0.0266	0.0292	0.0917	0.0298	0.0058	-0.4333	-0.2333	-0.2588	0.1851	-0.14	-0.0762	0.3065	0.2031	0.0373	-53.6166	77.4043	-21.5315
22	0.9853	-0.2104	0.8388	0.4743	-0.4726	0.915	0.4537	0.0686	0.0365	-0.265	0.1669	0.3761	-0.1233	-0.0893	0.0192	0.2067	0.1436	0.1881	0.9144	0.1211	0.3027	-54.1249	70.5986	-0.0391
23	0.0031	-0.0049	-0.0577	0.0158	-0.0335	2.9813	0.1434	-0.1397	0.0451	0.1089	-0.0395	0.3621	0.1483	-0.5057	-0.0217	0.2659	-0.0429	-0.0954	0.0141	0.0065	0.1905	-54.2668	88.1643	13.2223
24	0.2292	-0.1369	0.0472	0.2884	0.0502	0.039	0.0652	-0.0289	0.0042	0.1396	-0.0086	0.0972	-0.0145	-0.0377	-0.2221	0.3194	-0.0191	0.0928	0.0222	0.1531	0.1655	-53.8008	106.176	-0.2073
25	2.5283	-0.576	1.114	0.8944	-0.7365	1.2209	0.0696	0.0167	-0.0158	0.21	0.1854	-0.0767	-0.0177	-0.0717	0.7378	0.3834	0.3896	0.2322	0.2911	0.3351	0.6482	-62.7956	93.3591	11.8755
26	0.0055	0.0103	-0.0481	0.0188	-0.0891	0.4186	-0.0574	-0.1307	-0.0198	-0.0946	-0.0365	-0.1136	0.1603	0.1495	-0.029	0.3892	0.139	0.338	0.6223	-0.0142	0.2409	-63.2339	72.5005	3.9521
27	0.8575	-0.4469	-1.2318	0.3647	0.7956	1.949	0.2771	0.0833	0.1711	0.2286	0.2977	-0.4421	-0.1285	0.1826	0.0684	0.32	0.0427	0.1698	0.0377	-0.077	0.4499	-62.6217	73.4559	-18.7312
28	0.0038	-0.0602	0.0003	1.0579	0.0879	0.1236	-0.1464	-0.0729	-0.097	-0.3543	0.0226	-0.2114	-0.0393	0.0253	-0.027	0.2967	-0.158	-0.1783	0.1401	0.0714	0.6227	-61.8998	94.877	-24.3316
29	1.4377	0.2032	-0.262	0.1946	-0.2619	0.3525	-0.2557	0.1416	0.0442	-0.1276	0.0155	0.2093	-0.1429	0.0928	-0.2225	0.1475	-0.3814	-0.1037	0.1058	0.1138	0.624	-62.2824	33.7548	-41.7578
30	0.1856	-0.6353	-0.5869	2.1911	2.1131	2.4714	0.1179	-0.0462	0.2831	-0.3245	0.4475	-0.0696	0.1268	0.0698	0.0995	0.2041	0.0224	0.0558	0.2462	0.1117	0.1936	-62.8632	14.0153	-11.8084
31	0.0029	0.0015	-0.0006	0.001	0.0002	0.0003	-0.0521	0.077	0.0987	-0.1099	0.1191	-0.0991	-0.047	0.0692	-0.0005	0.2324	0.0917	-0.1436	0.3605	0.0447	0.5022	-62.5117	-0.2291	-28.8609
32	0.0341	-0.0145	0.0095	0.0086	-0.0044	0.0048	0.1441	0.0225	0.1796	0.1223	0.0969	0.023	-0.2219	-0.1349	-0.0014	0.2479	-0.0269	0.1744	0.4474	-0.161	0.4059	-62.0903	12.0286	-47.4504
33	0.0126	0.0489	-0.0155	0.1855	-0.0576	0.0179	-0.0323	-0.0077	0.0384	-0.1119	0.0243	0.1041	-0.1515	0.0065	0.0285	0.5659	0.1103	-0.1095	0.0511	-0.2644	0.2516	-54.1861	31.5346	-15.6556
34	0.2759	0.1213	-0.085	0.0782	0.0656	0.4566	0.015	-0.0799	0.0337	-0.0047	0.0726	0.0341	0.1323	-0.1975	0.1981	0.4457	-0.2295	-0.3715	0.8224	0.3576	0.1	-53.6808	36.562	-37.123
35	0.0015	-0.0006	-0.0012	0.0004	0.0011	0.0007	-0.1674	-0.0353	0.0582	-0.0826	-0.1324	0.0657	0.0035	-0.2447	0.0004	0.4702	-0.3616	0.1607	0.4175	-0.1588	0.2494	-53.242	17.2806	-48.4229
36	0.4585	0.136	-0.1247	0.0449	-0.0376	0.0341	0.107	0.0733	0.0106	-0.3244	0.0224	0.1032	0.3398	-0.0641	-0.0785	0.5726	0.0116	-0.1595	0.1313	0.1131	0.163	-53.6656	0.5606	-34.1304
37	0.0756	0.1311	0.1259	0.2356	0.2084	0.2213	0.0905	0.0302	-0.2132	0.0013	0.1805	-0.0267	0.1317	-0.0501	0.0806	0.3021	0.0215	-0.3515	0.8251	-0.1663	0.4085	-54.2111	9.1602	-13.7329
38	6.9789	-3.0441	-0.6879	8.0066	4.3253	4.0586	0.0899	0.1776	0.0834	-0.0411	0.1338	0.0081	-0.1974	-0.0555	0.0014	0.2811	0.0501	0.3619	0.3015	0.0156	0.5155	-55.7332	95.2771	-17.6185
39	2.9127	1.6087	1.8997	1.2927	0.3826	2.3389	-0.0383	0.0769	0.0868	-0.1651	0.0368	0.1163	-0.0292	-0.1403	-0.207	0.1903	-0.1691	-0.076	0.527	-0.3362	0.542	-56.1779	80.1216	-16.7474
40	1.5872	1.8531	0.4067	2.169	0.486	0.1292	0.2112	0.122	0.0293	-0.0355	0.0808	-0.0118	0.3611	-0.125	-0.0465	0.1628	-0.1415	-0.0209	0.6248	-0.1415	0.5847	-55.9986	76.5965	-1.1486
41	2.1309	2.2116	2.0414	2.2963	2.1188	1.956	-0.0216	-0.0215	-0.0466	0.0177	-0.0059	0.0239	0.0961	-0.0657	0.1305	0.2457	-0.0659	0.2254	1.0837	0.2102	0.2821	-56.5163	88.7173	7.4497
42	1.8868	0.5319	1.0874	2.2206	2.1194	2.2138	-0.0255	-0.0921	0.0349	0.1569	0.0445	0.0048	0.1047	-0.2838	-0.0165	0.1017	-0.0451	0.2754	0.4178	-0.0982	0.6398	-56.0104	100.6512	-3.0241
43	9.0884	-0.8892	-7.796	4.6941	1.2979	7.2263	0.1519	-0.0194	0.1964	-0.0312	0.0592	-0.0743	-0.1607	0.0773	-0.0303	0.1086	0.0968	0.1879	1.1804	-0.5579	0.4163	-60.4668	90.9857	6.5481
44	6.1619	4.9957	1.1374	5.342	3.8369	6.7871	-0.0738	-0.0421	-0.0628	0.0208	-0.1313	-0.0927	0.0853	0.172	-0.1656	0.3091	0.2839	0.4784	0.6385	0.747	1.3743	-60.6769	76.9435	0.3639
45	1.3149	0.51	-0.4285	2.6694	-2.5955	2.5275	-0.1249	-0.093	-0.058	0.0754	-0.1655	-0.0185	0.1653	0.0784	0.0249	0.5038	0.0721	-0.2368	0.2848	-0.0743	0.1552	-60.4325	78.5223	-15.9564
46	2.0467	1.7133	-2.3309	1.4344	-1.9515	2.6554	-0.0522	-0.0713	-0.0559	0.0007	0.0043	-0.0569	0.0127	-0.035	-0.0611	0.2773	0.1266	-0.037	0.8456	0.0832	0.3139	-59.5791	93.4738	-18.7033
47	3.9599	-3.9007	3.7187	3.8422	-3.6631	3.4924	0.0925	0.0956	-0.0102	-0.0492	-0.1199	-0.0363	-0.4109	-0.0454	0.0018	0.8036	0.0946	-0.3656	0.4168	-0.3093	1.0163	-60.1892	29.7509	-22.4813
48	2.0281	2.4581	-0.5484	7.315	1.9822	1.7641	0.0321	-0.033	0.0739	-0.1951	-0.0302	-0.0905	0.03	0.146	-0.0964	0.3519	0.1754	-0.0479	0.1656	-0.0888	0.5372	-60.1488	29.9368	-37.2354
49	2.0001	5.7062	-6.1912	7.9742	-3.5942	3.6741	0.0606	-0.0328	-0.05	0.1629	0.0153	-0.0645	-0.2035	0.0281	-0.0927	1.2131	-0.223	-0.4305	0.4358	0.0978	0.3385	-60.4654	14.6182	-17.5095
50	5.3172	2.6574	0.5392	2.7618	2.299	4.7036	0.2138	-0.1693	0.0074	0.3857	-0.3674	-0.0115	0.2541	0.0249	-0.0803	0.4474	-0.0173	-0.0216	-0.0057	0.0264	0.7512	-60.2635	5.3491	-30.2386
51	9.1698	-2.8095	3.5917	5.5584	-1.8836	5.3919	0.19	0.0525	0.0992	0.0147	0.0376	0.0667	-0.1066	-0.0861	0.1637	0.2647	-0.0416	0.2447	0.4417	0.0388	0.1378	-59.691	14.8234	-42.5421
52	2.5159	2.4875	-1.0808	3.1518	-1.9553	4.5905	-0.0474	-0.0806	0.134	0.1017	-0.017	0.0202	-0.0021	-0.1064	-0.0928	0.1885	-0.269	0.0197	1.0014	-0.6472	0.5296	-56.0951	28.6891	-20.6838
53	1.811	0.0045	1.5913	2.259	-0.8264	1.7036	-0.0402	0.1166	0.1018	0.122	-0.0363	0.169	-0.0879	-0.1714	0.0423	0.0801	-0.1169	0.0467	0.5058	-0.3488	0.7741	-55.8747	31.0239	-35.6714
54	0.809	-1.054	-0.2121	1.9268	1.0035	1.0102	0.1314	-0.0224	0.0655	-0.101	-0.0026	-0.0401	-0.1873	-0.02	-0.0837	0.8213	-0.2078	0.3664	0.9252	0.1766	0.1132	-55.8158	16.4175	-42.8929
55	3.5798	-0.6702	-0.0825	3.5913	3.0627	4.8435	0.011	0.0921	-0.085	-0.0831	-0.04	-0.0082	-0.0859	0.0172	-0.0117	0.4549	-0.0087	0.0205	0.2742	-0.5244	0.7302	-56.107	5.8238	-31.8763
56	5.5364	0.5596	7.7138	4.8391	1.8193	2	0.2355	-0.0251	-0.1262	0.0664	0.0879	0.0892	0.3685	0.0464	-0.0539	0.488	-0.0523	-0.3359	0.7127	0.1522	0.0596	-56.2353	12.7058	-18.295
57	4.6263	0.9202	-0.8581	4.5116	0.4072	3.4093	0.1821	0.2552	0.2997	-0.0357	-0.053	-0.0608	-0.1448	-0.0713	-0.1538	0.2985	0.0134	0.3446	0.3726	0.2521	0.1926	-46.5452	89.4194	-21.6174
58	2	2.0001	8.2133	2	-8.7168	2	0.4609	0.1105	-0.2661	-0.2165	-0.3849	-0.0949	0.1867	0.1508	-0.2119	0.2653	-0.1022	-0.1882	0.0128	0.1007	0.1254	-46.969	74.2526	-11.7575
59	2	3.6042	2.4342	2	-1.8731	2	0.3027	-0.0355	-0.0993	-0.0118	-0.1127	-0.0747	0.6401	-0.0713	-0.1623	0.7684	-0.0067	-0.019	-0.0488	0.1155	0.3331	-47.2679	78.3106	6.7617
60	3.9242	3.8328	1.7695	3.7729	1.9934	3.1911	0.3657	-0.2214	0.0765	0.6208	-0.3028	0.0765	0.2185	-0.0484	-0.0406	0.3096	-0.0229	-0.0172	0.36	-0.3766	0.1902	-47.1587	96.5732	7.5663
61	2	0.5256	1.1876	2	0.1992	2	0.1142	-0.1457	0.1228	0.1619	-0.051	-0.0068	-0.2109	0.011	-0.1444	0.7962	-0.1559	0.1271	0.0578	-0.2489	0.4093	-46.7784	103.467	-9.7822
62	2	2.0001	-1.4038	2	-7.3721	2	0.031	-0.0146	-0.0456	0.1482	-0.1535	-0.1153	-0.1525	0.1757	-0.0101	0.1142	-0.0937	0.0421	0.1167	0.2324	0.0258	-69.5351	83.8476	8.4361
63	6.3058	4.9898	5.2037	9.8545	3.3713	8.7105	0.0797	-0.1886	-0.0831	0.199	0.0553	-0.0611	0.069	0.031	-0.0824	0.3965	0.2152	0.0047	0.1699	-0.0554	0.122	-69.6698	73.1118	-6.5626
64	8.9849	-2.2379	8.4358	0.9014	-2.2004	8.69	0.2641	0.0203	-0.2574	-0.2051	-0.1264	-0.0447	0.5105	0.0793	-0.3352	0.3443	0.1112	0.0638	0.128	0.2844	0.4321	-68.7709	83.065	-21.6956
65	7.3842	-3.6467	-3.5505	2	-3.1907	2	0.5607	0.117	0.1081	-0.8962	-0.2985	-0.2998	0.0958	-0.034	-0.0569	0.2095	-0.0088	0.0512	0.0004	0.0902	0.4744	-69.0008	100.5517	-16.1023
66	2	0.7757	-8.8406	7.8231	-1.8966	7.7768	0.2073	-0.0401	0.1968	0.0897	0.0283	-0.1137	-0.174	-0.0028	-0.0526	0.2487	0.0293	0.0234	-0.0344	-0.0003	0.3537	-69.6552	25.5154	-16.1479
67	7.9863	-4.4519	-1.0415	2	-0.4442	2	0.0759	0.2744	0.2479	0.0647	-0.1069	-0.035	-0.0885	-0.0324	-0.1833	0.7156	-0.4887	-0.0664	0.4328	0.2436	0.2678	-69.257	34.5559	-32.111
68	7.6567	0.2002	4.2445	5.7769	-2.9801	4.0085	0.3476	0.0697	-0.4934	0.5615	-0.0774	-0.1679	-0.0834	-0.0146	-0.1523	0.459	0.0597	0.1555	0.3195	-0.0279	0.4779	-69.5428	7.4567	-19.6005
69	5.8093	3.3725	-0.6843	8.6485	2.5689	8.4379	-0.0146	0.096	0.0951	0.0833	-0.1525	0.0074	0.339	0.0632	0.0087	0.2761	0.0981	0.3461	0.7217	0.2587	0.1762	-69.0196	4.9826	-37.4548
70	8.9574	0.0155	1.6788	5.1526	-2.7712	5.9578	0.237	0.2698	0.0167	-0.0712	-0.0582	0.0537	0.1029	-0.1384	0.261	-0.0251	-0.013	-0.0571	0.3349	0.3919	0.1757	-68.9834	21.9065	-45.4048
71	2	2	-0.4787	2	2.7745	2	0.2624	-0.2048	0.3506	-0.0173	-0.0944	0.0092	-0.1402	0.055	-0.0146	0.2259	-0.0676	0.2256	0.1887	-0.2022	0.3259	-47.2396	34.1808	-25.1188
72	2	1.3716	2	6.3871	-4.6243	2	0.7477	0.3425	1.1608	-0.1661	-0.0587	-0.0558	-1.0673	-0.3026	-0.724	0.4306	-0.1326	-0.0623	0.2324	0.0808	0.2177	-46.6221	28.1764	-42.0988
73	2	0.6113	1.8293	2	-0.2999	8.8392	0.2899	0.2949	-0.0169	-0.662	-0.3606	-0.1204	-0.0741	-0.0372	-0.0331	0.4538	0.2536	0.3811	0.398	-0.0703	0.4901	-46.602	9.5469	-42.2457
74	7.0985	1.3788	6.0046	4.2336	-0.655	5.9155	0.1644	0.233	-0.117	-0.4684	-0.1073	-0.0319	0.6839	-0.0749	-0.0841	1.1222	-0.3254	0.1591	0.3051	-0.198	0.0288	-47.0069	4.3071	-24.2664
75	5.7656	-1.4846	1.0917	2	2.2505	1.9999	0.0252	-0.2396	-0.1871	-0.0539	-0.0588	-0.024	-0.0418	-0.1244	-0.1301	0.0483	0.1513	-0.118	0.3405	0.1235	0.1668	-47.2511	19.113	-14.102
76	0.0028	-0.0346	-0.0052	0.4778	0.0656	0.0084	0.0726	-0.0307	-0.2092	0.5369	-0.1239	0.5053	-0.0628	0.0352	0.1445	0.3256	-0.2499	-0.027	0.0346	0.2308	0.2712	-46.8128	87.1844	-27.6664
77	5.9164	0.5591	3.4003	2.4152	-1.4608	2.0001	0.6267	-0.5519	0.3124	-0.3753	0.426	-0.2231	0.3314	-0.0547	0.9801	0.3323	-0.1177	0.0424	0.0697	-0.0744	0.0153	-47.3073	67.8352	-11.2764
78	0.01	-0.027	-0.0709	0.0709	0.1836	0.4727	0.5223	0.1282	0.2858	-0.3871	-0.2812	0.0258	-0.5783	-0.2335	0.2516	0.1526	0.1706	0.1488	0.2315	-0.4749	0.5102	-47.9179	76.741	12.6608
79	0.1875	0.3706	-0.2071	0.7322	-0.4049	0.6874	0.2641	0.1111	0.1125	-0.1265	0.4799	0.4545	0.2514	-0.6429	0.8636	0.2216	0.0581	0.075	0.1627	0.2239	0.1902	-47.777	101.8989	10.9017
80	1.1339	0.857	0.4482	2.1634	-0.3291	0.9552	0.1625	0.205	-0.0098	0.0741	0.1014	0.0919	0.3085	-0.1509	0.1641	0.2102	0.001	-0.1652	-0.0221	0.2835	0.0245	-46.9743	108.3127	-13.6217
81	0.0997	0.0838	0.019	0.2168	-0.0059	0.0065	0.0825	0.2046	-0.6719	-0.399	0.4305	-0.311	0.0319	0.1996	-0.0067	0.2008	0.1641	-0.0878	0.3397	-0.1111	0.1757	-69.5254	79.5783	13.0806
82	1.1247	-0.1991	-1.0406	1.6688	-0.5075	1.2561	0.349	0.0237	-0.059	-0.0347	0.2018	-0.4643	-0.2081	0.243	0.0271	0.294	-0.0729	0.1285	-0.133	-0.0862	0.3276	-69.3714	67.0498	-9.1016
83	0.4974	-0.2855	-0.6123	0.9481	0.962	1.2273	0.1006	-0.0155	-0.0363	0.1768	-0.3586	-0.2624	-0.4803	0.1709	-0.2045	0.4682	-0.163	-0.1826	0.4223	0.2807	0.1912	-68.4878	83.6362	-28.167
84	0.221	-0.0165	-0.1645	0.1434	0.0958	0.1702	0.1128	-0.3076	0.0334	0.1951	0.4227	-0.143	0.3739	0.0477	0.1091	0.1901	0.0577	-0.1487	0.2498	0.1988	0.1514	-68.3934	106.7185	-17.3165
85	0.0083	-0.0799	0.0043	0.7784	-0.0422	0.0019	-0.0046	-0.0192	-0.2291	-0.4649	0.0365	-0.0527	0.3016	-0.0676	-0.0792	0.3263	-0.1209	-0.1217	-0.037	0.0472	0.5518	-69.3574	25.5915	-9.7864
86	0.2142	-0.0566	0.0557	0.3788	-0.0204	0.0399	0.1345	-0.4937	0.2848	-0.0742	0.2473	-0.1208	-0.0344	0.6506	0.3406	0.2072	0.0503	0.074	0.2313	-0.1352	0.1413	-69.009	40.4513	-30.0555
87	1.5432	0.5307	1.5025	2.2341	1.7985	4.8687	0.4893	-0.4191	-0.3321	-0.2626	0.8426	-0.2462	-0.3814	0.1838	0.1326	0.0571	0.2036	0.063	0.7296	-0.1184	0.3975	-69.1432	1.3693	-17.3931
88	0.1092	0.2048	-0.01	1.1506	-0.3235	0.1229	-0.1575	-0.385	-0.0822	0.4811	-0.0129	-0.1496	-0.3546	0.3564	0.0014	0.2248	0.078	0.1424	0.3055	-0.0139	0.3811	-68.5904	1.1853	-42.452
89	0.3912	0.7937	0.8578	2.0728	2.2605	2.4663	0.5765	-0.0468	0.6673	0.2123	0.1835	-0.0645	-0.1452	-0.0357	0.0779	0.3641	-0.0956	0.3134	0.3457	0.0624	0.3567	-68.3993	25.4363	-50.4947
90	4.8339	-0.0913	2.0014	2.329	-0.385	5.8862	0.5888	0.1457	-0.0573	0.2764	0.3816	0.1387	0.0291	-0.3932	0.4363	0.1559	-0.1977	-0.0095	-0.0537	0.0073	-0.0509	-47.3893	40.465	-25.9556
91	1.0877	0.8788	-0.2579	1.1225	-0.4099	0.5702	0.6649	0.1159	-0.5596	0.1971	-0.2877	0.0245	0.282	-0.3699	0.0143	0.1912	0.0462	-0.0837	0.4892	-0.1212	0.1587	-46.8518	29.248	-48.4271
92	0.0167	-0.0166	0.0161	0.0412	-0.0305	0.0239	0.4028	0.0087	-0.555	0.0695	0.4884	0.0517	-0.0259	-0.0864	-0.0036	0.4013	-0.2361	0.0462	0.4483	-0.0997	0.1732	-46.9513	3.941	-45.2561
93	0.1201	0.0027	0.1548	0.042	-0.0504	0.2719	-0.0619	0.0533	0.002	-0.1416	0.05	0.0302	-0.3727	-0.5958	-0.1025	0.36	-0.0154	-0.0121	0.5137	-0.0013	-0.0581	-47.5922	-0.1902	-20.1116
94	0.0763	0.1657	0.042	0.3678	0.0948	0.0239	-0.2254	-0.1016	0.1853	-0.4834	-0.0556	0.3114	-0.1629	-0.0058	-0.0939	0.1327	-0.0162	-0.0641	0.406	0.0274	0.0624	-47.7569	21.9168	-8.421
95	1.5684	0.5945	1.1027	0.5337	1.0132	1.8998	0.1938	0.1595	0.0244	-0.0233	0.1252	-0.1309	0.0653	0.2766	0.101	0.144	-0.0167	-0.0531	0.0336	-0.0227	0.1681	-26.4074	96.6942	-28.5012
96	2.6442	1.8913	-1.1357	1.6566	-0.5129	0.7868	0.0283	-0.1513	-0.8022	0.126	-0.2879	-0.5608	-0.1782	-0.0048	-0.0939	0.2652	0.0211	-0.1052	0.0212	-0.0231	0.216	-26.8967	69.0063	-20.2874
97	0.3636	0.1537	0.8436	1.4687	-0.2404	2.2341	0.2588	0.2169	0.1315	-0.0287	0.1015	0.2248	0.3426	0.2819	0.741	0.1727	-0.0431	-0.0205	-0.0843	-0.0418	-0.0092	-27.8157	67.9563	8.8329
98	0.1342	-0.2837	-0.1265	0.7507	0.1412	0.387	-0.2511	0.0192	0.096	0.6129	0.0872	-0.3341	0.2305	0.4167	0.0037	0.2887	0.0172	-0.0159	0.2251	-0.0345	0.1108	-27.9097	95.188	18.597
99	0.7755	-0.4593	0.6832	1.0974	-0.827	0.8044	-0.154	0.1989	-0.0326	-0.0193	-0.106	-0.2547	-0.2669	0.0972	-0.0695	0.0906	0.0708	0.0124	0.2139	-0.0275	-0.0441	-27.1776	112.8578	-4.3895
100	2.3029	-1.4175	0.7027	0.89	-0.3702	0.2949	0.0275	-0.4678	-0.4027	0.1341	0.2857	0.2648	0.1419	0.0426	0.1255	-0.1975	0.012	0.1174	0.1399	0.0034	0.0784	-89.6259	88.276	17.7142
101	1.8233	-0.8161	-0.4931	0.6773	0.0727	0.8641	0.6746	0.098	-0.4042	-0.107	-0.7842	0.3149	-0.0189	0.0416	0.0196	0.2137	0.0046	-0.0134	0.1412	-0.0785	0.388	-89.8872	65.3918	-0.0166
102	0.9063	0.0185	-0.0179	0.1704	-0.02	0.0043	0.0634	0.6151	0.1266	0.0474	-0.048	0.4643	-0.3718	-0.0613	-0.0125	0.2088	0.0037	0.0332	0.2257	0.0138	0.3056	-89.0516	74.627	-27.4849
103	1.3065	0.7192	-0.0319	0.5802	0.1206	0.1092	0.1064	0.6028	0.4763	0.0369	-0.0388	0.4131	-0.0171	-0.271	0.1182	0.0475	-0.0495	-0.0662	0.2701	-0.0935	0.2623	-88.3685	103.4986	-26.9445
104	1.915	-1.0874	0.6689	1.8261	-0.6651	0.8325	0.0619	-0.1577	0.3359	-0.0707	0.2092	0.0473	-0.1166	-0.0463	0.62	-0.0318	-0.1136	-0.0389	-0.0526	-0.0891	-0.0079	-89.4398	34.9992	-11.7665
105	1.1368	0.6717	-0.0446	0.9228	0.4195	0.3658	-0.1002	0.4428	0.3944	-0.3055	-0.1717	0.3237	-0.1694	-0.0338	-0.0313	0.2529	-0.0522	-0.0131	0.2233	0.0826	0.1813	-88.9531	41.5667	-39.9987
106	0.3468	-0.2577	-0.2496	0.7396	-0.0505	0.2708	-0.1829	0.1883	-0.0798	0.5742	0.0506	-0.0247	0.0414	0.0697	-0.0268	0.0974	0.024	0.0162	0.0598	-0.0576	0.1551	-89.4781	6.1788	-9.1183
107	0.3456	-0.2055	-0.4358	0.1363	0.2521	0.5973	0.1771	0.2278	-0.1985	-0.1858	-0.2932	0.2226	-0.0873	-0.1155	-0.0262	0.1961	0.0595	-0.0031	0.0737	0.0052	0.2077	-89.017	-5.395	-35.8346
108	0.486	0.2467	-0.2547	0.483	-0.2797	0.5056	0.0988	0.0471	-0.0398	-0.2016	0.1679	0.0486	0.1908	-0.1159	0.254	0.1878	-0.0196	-0.0848	0.2156	0.0169	0.0443	-88.6571	16.4386	-54.775
109	2.0766	0.1126	1.0888	0.2409	0.2262	0.8175	-0.1541	-0.0091	0.4474	-0.3041	0.0741	-0.126	0.0046	-0.3041	-0.188	0.1165	-0.0294	0.0305	0.2414	0.0403	0.1107	-27.3487	39.6421	-15.7926
110	0.1273	-0.3263	-0.3881	0.8119	0.9968	1.198	0.1803	0.0446	0.3704	-0.0587	0.1505	-0.0848	0.0963	0.1689	0.7614	0.216	0.0489	-0.0585	-0.0339	0.1429	0.1753	-26.8443	38.4588	-44.7263
111	0.2182	0.1331	0.0808	0.2197	-0.0379	0.0625	-0.5175	0.1961	0.0805	-0.4029	0.1024	0.0565	-0.0808	0.0399	-0.0037	0.1437	-0.0182	0.0715	0.4503	-0.1551	0.3942	-26.3535	10.4207	-52.061
112	1.7797	-0.5538	0.3178	0.1749	-0.059	0.138	0.3287	-0.2849	-0.9433	0.136	0.0805	-0.3291	0.0667	0.2383	-0.0908	0.2555	-0.0454	-0.1629	0.2126	-0.1431	0.3644	-27.0681	-5.6799	-27.8419
113	1.8993	-1.0798	-0.9967	1.2193	0.7058	0.5807	0.4177	-0.4188	-0.0656	0.187	-0.029	-0.2932	0.0495	-0.1131	0.1051	0.18	-0.048	-0.1279	0.3647	-0.0827	0.1345	-27.7674	12.5729	-5.3362
114	1.8065	-0.4537	-0.4861	0.7737	0.8153	0.7487	0.1173	0.3844	0.4239	0.0603	-0.1113	-0.224	-0.0005	-0.0418	-0.0474	0.0915	-0.0277	0.0543	0.0054	-0.0788	-0.3869	-34.3068	96.7701	-24.1462
115	1.8978	-0.5457	-0.3517	0.7197	-0.1566	1.5051	-0.0314	0.4852	0.0776	0.0208	0.0493	0.0109	0.036	0.1893	-0.0076	0.0339	0.0272	0.0443	-0.0395	-0.0479	0.0271	-34.4768	73.4896	-19.1249
116	1.8947	0.122	0.3707	0.0203	0.1913	1.0883	-0.012	0.6437	0.4331	0.1647	-0.2089	-0.0008	0.2477	0.38	0.0313	0.0841	-0.0127	-0.0165	-0.3668	-0.1899	-0.012	-35.3288	70.7987	4.8361
117	1.032	-0.2801	0.8425	1.2748	-0.2161	0.8361	0.1842	-0.0835	0.0585	-0.0715	-0.0923	0.2446	-0.0459	-0.0073	0.0189	0.1171	-0.012	0.0089	-0.0289	-0.0407	-0.0945	-35.4133	92.3865	14.6044
118	0.659	0.6503	-0.2505	0.6633	0.0937	1.1101	0.0034	-0.045	0.2105	0.0317	-0.2346	0.0187	-0.1842	0.4792	-0.0306	0.107	0.0386	-0.0186	-0.1775	-0.0779	0.1287	-34.4522	108.1932	-3.4524
119	0.9401	-0.3233	-0.4192	1.536	-0.256	1.1183	-0.0155	-0.3012	0.0376	0.1375	-0.0504	-0.1617	0.0621	0.0268	0.005	0.0959	0.0619	0.0364	0.0288	0.0441	0.0395	-81.932	89.8307	13.4295
120	1.3972	0.5547	0.3374	0.1972	0.1743	0.7982	-0.0998	-0.0538	0.25	-0.0437	-0.1192	0.0002	0.1243	-0.008	-0.0169	0.1299	0.0033	0.0764	-0.0052	-0.0205	0.1563	-82.0849	69.8278	0.4013
121	0.9299	-0.2821	0.7951	0.8464	-0.1773	0.9181	0.0402	0.3996	0.0564	-0.2648	0.0243	0.0356	0.0552	0.037	-0.0124	0.0329	0.0054	0.016	0.0524	-0.0738	0.0434	-81.4049	75.7838	-22.8206
122	2.9283	-0.0777	0.0846	1.0027	0.3142	0.742	-0.2784	0.8173	0.1255	-0.0745	0.2709	-0.0442	0.0515	-0.0264	-0.0298	0.1002	0.0243	0.029	-0.1614	0.0753	0.0422	-80.9209	99.418	-24.1817
123	0.6171	-0.5146	-0.4602	0.8753	-0.256	0.9539	0.1609	0.0704	0.104	0.21	0.1553	0.0987	-0.0897	-0.3175	0.5917	0.1628	-0.0122	0.0315	-0.2342	-0.1859	-0.0702	-81.7111	33.3025	-15.9757
124	1.4865	-0.5012	0.2727	0.4471	0.2118	0.7282	0.1675	0.3042	0.018	-0.0289	-0.0557	-0.0744	-0.209	0.0892	0.0099	0.1127	-0.0068	0.0331	0.0521	0.0054	0.1679	-81.3566	36.8846	-39.6654
125	2.0841	-0.4042	-1.1838	1.7515	0.4371	0.6243	0.0295	-0.4597	-0.1079	0.1442	0.0911	-0.116	-0.0338	0.4753	0.0474	0.158	0.0398	-0.0122	-0.2927	0.097	0.0224	-81.7478	9.7907	-12.065
126	1.5345	0.2846	0.6807	1.1232	0.5738	1.0534	-0.0285	0.5423	-0.2717	0.0677	-0.0102	-0.0436	0.2537	0.0987	-0.1853	0.0646	-0.0022	0.0261	-0.2696	-0.0602	0.0508	-81.364	-1.4502	-33.114
127	1.4491	-0.6534	0.856	1.1962	-0.5083	0.6326	0.0105	0.4842	-0.3647	-0.0091	-0.0774	0.2491	-0.0831	0.1893	-0.0127	0.1177	0.0064	-0.0282	0.1872	-0.0847	0.0662	-81.0035	15.3254	-50.1687
128	1.1789	-0.0961	0.3431	0.4279	-0.2568	0.2599	0.1447	-0.3086	0.2286	0.0224	-0.0978	0.039	-0.1228	0.1842	0.0034	0.0345	-0.0059	-0.0091	0.191	-0.0603	0.0938	-35.0246	35.1841	-17.1176
129	3.3234	0.1127	-0.0858	0.6039	0.2509	1.4541	-0.0154	0.1883	0.7033	-0.0545	-0.0005	0.0748	-0.0028	-0.108	-0.0381	0.0472	-0.0082	0.0726	0.0148	-0.1161	-0.1337	-34.4976	35.965	-40.8289
130	1.0309	-0.175	-0.5795	0.476	-0.1881	0.3964	-0.0088	0.317	-0.1589	-0.0447	0.1605	-0.0003	0.1388	-0.1988	0.0173	0.0752	0.073	0.0464	-0.0313	-0.1711	0.0961	-34.1882	13.3608	-48.641
131	0.3747	-0.4582	0.5325	1.2816	-0.8616	0.9807	0.0369	-0.0559	-0.3138	0.0225	0.0438	0.0535	0.1049	-0.1224	0.0026	0.19	-0.0034	-0.0636	0.0199	-0.122	0.2191	-34.6352	-1.3393	-29.8347
132	0.6185	-0.4514	0.54	1.5569	0.1238	1.3562	0.1623	-0.1071	-0.1188	0.2197	0.0105	0.0824	0.0162	-0.0172	0.0065	0.101	0.0331	-0.0393	0.0675	-0.0702	0.1001	-35.2139	12.1751	-10.2651
133	4.6067	-1.6497	-0.1934	2.1947	1.4263	1.8695	0.1496	0.5886	-0.9387	0.082	0.1492	-0.0342	-0.1075	0.2784	0.4314	0.1787	0.033	0.048	0.04	-0.2395	0.0505	-9.3082	90.1794	-26.9811
134	0.3991	0.2484	0.0997	1.3797	-0.015	0.0291	-0.2196	0.2545	-0.1203	0.3113	0.407	-0.3467	-0.1067	0.5581	-0.1011	-0.0041	0.2689	0.1139	0.6038	-0.0697	0.2762	-9.7822	68.0233	-13.1326
135	1.4931	-0.8038	-0.6619	2.3836	0.6015	0.9797	-0.0231	0.1969	-0.2493	0.5828	0.3528	-0.6515	-0.2146	1.0426	0.0766	0.1523	0.0668	-0.2489	0.351	-0.0481	0.0487	-10.5614	73.6483	12.3672
136	2.4772	-1.4506	0.2319	3.2967	0.7497	1.3474	-0.0561	0.2795	-0.0354	-0.327	0.2604	-0.8598	-0.4153	-0.085	0.1301	0.3466	-0.0167	-0.105	0.0114	0.1069	0.0915	-10.3386	99.6235	14.5064
137	1.4258	-0.0682	1.093	0.2663	-0.0273	1.5443	-0.3589	-0.1215	0.0427	-0.1473	-0.2376	0.3432	-0.1856	0.7123	-0.0354	0.0981	-0.0379	-0.0884	0.2583	-0.0533	0.1478	-9.6271	109.8721	-9.7204
138	1.7946	1.8498	0.5207	1.9088	0.5095	0.2637	-0.1687	0.3143	-0.4457	0.2863	0.3188	-0.1872	0.3482	-0.4106	0.1778	0.1059	0.0769	0.2637	0.2078	0.0351	0.0032	-107.061	83.0554	14.1564
139	0.6057	-0.0784	0.5399	0.1222	0.0159	0.5433	-0.5276	0.3553	-0.0685	-0.2145	-0.0127	-0.2164	0.7153	0.2007	0.2236	0.1862	-0.1254	0.1355	0.1772	0.1859	0.175	-106.871	67.3523	-6.8
140	0.9983	-0.0567	-0.1975	1.3474	0.9836	1.1088	-0.1242	-0.1295	-0.4383	-0.1479	-0.2957	0.7126	0.1605	0.1592	-0.1993	0.0359	0.0935	-0.1348	0.3709	0.0097	0.3239	-106.2005	81.6154	-28.5659
141	0.5685	-0.4642	-0.281	1.6335	-0.2414	0.3141	-0.0359	-0.0698	0.1715	0.3482	0.1004	-1.1081	-0.1173	-0.1807	-0.2121	-0.0006	0.27	-0.0289	0.0672	0.1014	0.3836	-105.6757	106.751	-21.4053
142	0.8339	-0.2537	0.0831	0.6159	0.9237	1.8218	-0.0748	0.5823	0.1965	0.6454	-0.0383	0.8122	0.2254	-0.9133	-0.682	-0.0112	0.0405	0.4129	0.2886	0.1374	0.2848	-106.7354	28.6075	-10.4567
143	1.1842	-0.17	0.5371	0.2413	-0.4844	0.9887	0.1826	0.0526	0.4484	0.0452	-0.2906	-0.0188	0.1036	-0.0263	-0.2702	0.2274	0.2418	0.1707	0.2068	-0.0735	0.0762	-106.3701	40.7099	-33.8784
144	0.7176	-0.1012	-0.5774	0.1458	0.1715	0.5212	0.0364	-0.0551	-0.5548	-0.1345	-0.1661	0.012	0.276	-0.3986	-0.045	-0.0341	-0.265	0.0344	0.2108	0.0089	0.4012	-106.7096	2.911	-15.1763
145	1.1146	-0.8675	3.0051	0.6725	-2.3317	8.0825	0.0573	0.3067	-0.2122	-0.2782	0.3796	-0.2123	-0.3099	-0.6478	1.2452	0.1245	0.108	0.0372	-0.0023	-0.2497	0.3973	-106.2533	-1.1668	-40.988
146	0.7173	-0.0728	0.4589	0.2594	-0.2568	0.5356	0.1315	0.0301	0.2315	0.1754	-0.1435	0.0626	0.2502	0.5106	-0.0178	0.1412	0.0922	0.044	0.2337	-0.0692	0.1474	-105.9472	22.4829	-52.2658
147	0.4236	0.0897	0.1894	0.1678	0.2515	0.393	0.2593	0.1785	-0.4044	-0.1554	0.0642	-0.1273	0.042	0.027	0.0155	0.1378	0.0314	-0.0621	-0.0138	-0.0639	0.2221	-10.0246	40.2368	-21.976
148	0.7727	0.9066	0.3092	1.2951	0.2933	0.6728	0.2987	-0.1956	-0.205	-0.0794	-0.0974	-0.7238	0.1926	0.309	0.0594	0.0575	-0.1334	0.2025	0.0001	0.0279	0.1783	-9.4045	32.527	-46.7478
149	0.04	-0.0166	-0.2131	0.2341	-0.1607	2.1347	0.1417	0.1666	0.1683	0.0979	0.1427	0.2565	-0.1398	0.8566	-0.029	0.1256	-0.0295	-0.0398	0.3561	-0.2888	0.5267	-9.1227	5.995	-46.6143
150	0.739	-0.3161	-0.5901	0.3406	-0.2356	1.5926	0.2531	-0.3617	0.5936	-0.5676	-0.1452	0.5512	0.1441	0.3467	-0.0197	0.21	0.0632	-0.2228	0.1433	-0.1353	0.7171	-9.9059	-2.2368	-21.8259
151	0.6969	-0.2451	0.1265	0.0935	0.0177	0.6067	-0.0601	0.2133	0.1424	-0.1099	0.2095	-0.2801	0.3008	0.165	-0.0908	0.3576	-0.0062	-0.1378	0.1412	-0.261	0.3323	-10.2937	18.8444	-6.4637
152	0.0516	0.1797	-0.1993	0.6307	-0.699	0.7747	-0.4281	-0.035	0.1118	0.0467	-0.067	0.1146	-0.2036	0.2612	-0.025	0.2451	-0.145	0.0747	0.2549	-0.1764	0.2748	-11.2736	92.2118	-31.0266
153	0.4288	-0.0404	0.0451	0.0038	-0.0034	0.0041	0.0568	0.0902	-0.0786	-0.394	-0.3142	-0.0854	0.3144	0.2045	-0.0646	0.4843	0.1783	0.117	0.027	-0.0127	0.299	-11.7071	64.8481	-16.2591
154	0.4742	-0.7926	0.6144	4.125	-1.1408	0.8004	0.1093	-0.0582	0.0325	0.0574	-0.0863	0.145	0.4045	-0.2725	0.1806	0.3506	0.1001	-0.0989	0.0312	-0.0756	-0.0468	-12.7476	69.6909	14.3542
155	1.8621	1.1425	-0.8718	0.8245	-0.4006	0.5546	-0.42	0.3303	0.2115	-0.2114	0.0989	0.3682	0.4911	-0.0441	-0.0043	0.4288	0.0519	-0.0073	0.0558	-0.0281	0.1423	-12.7275	100.4997	18.7429
156	0.2003	0.0525	-0.0558	0.0173	-0.0495	0.3208	0.0741	0.0341	0.1802	0.025	-0.0706	-0.0225	0.0475	-0.021	0.1603	0.3867	-0.1705	0.1994	-0.0625	0.0941	0.1331	-11.7558	114.2785	-9.0113
157	-0.0001	0.0118	-0.0056	0.8502	-0.2459	0.0987	0.1681	0.0354	-0.0595	0.0329	0.0758	0.5265	-0.5497	-0.3007	0.0225	0.2535	-0.0977	0.1645	0.313	-0.117	0.1864	-105.0433	83.3704	18.461
158	0.0168	0.0258	0.0477	0.0474	0.06	0.2027	-0.0503	0.0088	-0.1188	0.2094	-0.0148	0.1211	0.0297	0.08	0.0543	0.6984	-0.2435	0.0123	0.1647	-0.1141	0.3385	-104.9988	63.1279	-5.0329
159	0.019	-0.0207	0.0142	0.0245	-0.0079	0.0375	-0.2445	-0.2286	0.2437	0.259	-0.5378	-0.2691	0.5314	-0.0022	0.0067	0.4402	0.0044	-0.0844	0.275	0.1435	0.3231	-104.1605	78.562	-31.7827
160	0.4478	-0.0781	-0.2463	0.0802	0.0263	0.141	0.4394	0.0457	0.3417	-0.0679	0.301	-0.2984	-0.2607	0.0818	0.0054	0.3867	0.1207	-0.0713	0.1583	0.1023	0.5695	-103.4252	108.8549	-25.0355
161	1.1287	-0.7811	0.0614	0.788	0.3298	0.5639	-0.2135	0.1484	0.0413	0.0279	-0.0609	0.2008	-0.2286	0.1395	-0.0534	0.1983	0.2167	0.0676	0.0829	0.0483	0.0812	-104.67	31.9069	-7.5243
162	0.2205	-0.049	0.1258	0.2029	-0.1324	0.1286	-0.0593	0.0012	-0.1741	-0.1112	0.0056	0.4383	-0.1317	-0.0181	-0.0021	0.3631	0.085	-0.115	0.048	-0.1003	0.3634	-104.3032	44.694	-35.8143
163	0.0151	0.0233	0.0213	0.0366	0.0335	0.0304	-0.2731	0.4773	0.0761	0.1983	-0.2952	-0.0252	-0.4581	0.0845	0.0014	0.408	-0.044	0.2571	0.1586	0.039	0.4182	-104.7418	1.1455	-11.0606
164	-0.0001	-0.0015	0.0011	0.1038	0.0132	0.0106	-0.3717	-0.0372	-0.571	0.1536	-0.2442	0.6145	0.9347	-0.3766	-0.0072	0.2545	-0.1206	0.0242	0.1908	-0.0382	0.3901	-104.06	-5.5312	-41.4618
165	0.3621	-0.3715	0.3054	0.7467	-0.2456	0.2701	0.0675	0.2837	0.0296	0.0732	0.2911	-0.0046	0.2945	-0.4743	-0.1962	0.5791	0.0626	-0.2566	0.312	-0.0451	0.1402	-103.7896	21.6661	-56.5297
166	0.3566	0.0824	0.1564	0.3918	0.4747	0.5831	-0.3651	0.1147	-0.1777	0.5087	0.0889	0.1411	-0.3103	0.0342	-0.54	0.6723	-0.1579	0.0862	-0.0946	-0.1886	0.5756	-12.0747	43.5931	-19.1223
167	0.0015	-0.0021	0.006	0.0046	-0.0088	0.0117	0.2116	-0.1272	0.0763	-0.1226	-0.2668	-0.0342	-0.361	0.0364	-0.0025	0.4183	-0.18	-0.1155	0.453	0.0289	0.1188	-11.4543	36.2253	-49.155
168	0.1401	0.0402	-0.0948	0.0301	-0.0045	0.088	-0.1227	0.1179	0.0224	-0.0401	-0.4322	-0.0001	0.0554	0.1747	0.0004	0.4381	0.0941	-0.0473	0.7461	-0.3597	0.5688	-11.1163	5.0756	-51.0371
169	0.0389	-0.0496	0.0309	0.0922	-0.0226	0.0328	-0.0581	0.0803	-0.3073	-0.2484	-0.2382	-0.8453	0.3233	-0.3946	-0.003	0.3437	0.0427	-0.067	0.1347	0.044	0.4044	-11.9289	-6.6537	-22.1509
170	0.0861	-0.0304	0.0437	0.0359	-0.0239	0.0259	-0.1486	-0.2083	-0.0654	0.4169	-0.3948	0.1738	0.0252	-0.1463	0.0007	0.4088	-0.0359	-0.3105	0.4178	-0.1377	0.6284	-12.5443	17.3325	-2.3269
171	0.8584	-0.2736	-0.3065	1.197	-0.2071	0.1923	-0.0101	0.6297	-0.0038	-0.6497	0.0866	0.0827	-0.0658	0.2375	0.2088	0.2067	0.0116	-0.1203	0.1752	-0.036	-0.179	-31.9346	83.5815	-30.5212
172	1.9225	0.0143	-0.3242	0.3614	-0.1168	0.1795	0.438	0.0995	-0.1508	0.2806	-0.1925	-0.3414	0.2051	-0.0047	0.0556	0.3358	-0.0586	0.0098	0.0198	-0.0198	0.2055	-32.8833	63.2942	-8.4669
173	2.3856	0.5128	1.7096	0.4641	0.0254	1.5547	-0.2683	-0.451	0.0593	-0.7335	-0.0001	-0.1188	0.0495	-0.1079	-0.1508	0.3154	-0.096	-0.0021	0.1342	0.0698	0.066	-33.5828	77.4407	18.0896
174	6.156	1.2843	-2.5781	2.2633	-2.8588	4.8638	1	0.0852	0.5323	0.0934	0.1655	0.2366	-0.8333	0.6328	1.7366	0.3419	-0.0579	0.1045	0.1237	-0.173	-0.1049	-33.2869	106.9021	12.034
175	0.0169	0.0737	0.0748	0.3828	0.1753	0.4498	-0.2159	-0.3148	-0.108	0.3738	0.0791	0.0845	0.036	-0.2953	-0.0525	0.1516	0.1034	0.0028	0.2179	0.0838	0.0646	-32.3323	110.641	-17.7321
176	2.1857	-0.2614	-2.2656	0.1709	0.5394	2.8334	0.1575	-0.1266	-0.749	-0.135	-0.2439	0.0883	0.0466	0.2471	-0.0973	0.3691	-0.0555	-0.0042	-0.0789	-0.0447	0.293	-84.2749	75.1966	14.7373
177	0.0069	0.0589	0.0027	0.6281	-0.3955	1.3654	-0.3288	-0.3096	-0.004	0.243	0.1777	0.1221	0.2725	0.3678	-0.6332	0.1477	0.1712	-0.1239	-0.0344	-0.0132	0.299	-83.8649	64.0662	-13.2382
178	0.6474	-0.6097	0.2587	0.5895	-0.1686	0.4342	-0.1849	-0.127	-0.6339	-0.0715	0.3571	0.1968	0.1231	-0.1055	0.0641	0.1725	0.0517	0.059	0.1519	-0.0406	0.1025	-83.136	86.6716	-32.5879
179	0.1768	-0.4444	-0.3281	1.3788	0.6665	0.6924	0.368	-0.0372	0.0943	0.0767	0.1404	0.3623	-0.0433	0.0942	1.0431	0.323	-0.0616	0.0101	-0.2614	-0.0375	0.3938	-82.8203	112.0616	-16.7392
180	1.2019	0.6254	0.6024	0.9772	-0.5508	1.4631	-0.6733	-0.0771	0.5168	0.2334	-0.036	0.0239	-0.3674	0.0454	-0.4265	0.2386	-0.0272	-0.0897	-0.0404	-0.0137	0.1923	-83.9267	23.455	-5.2075
181	1.0437	0.029	-1.4556	1.3469	0.4914	5.3002	0.0324	-0.2879	-0.1838	-0.4822	-0.0131	0.1389	-0.2626	0.7435	-0.1245	0.0088	-0.0526	0.0161	0.1054	-0.0286	0.3665	-83.6307	44.0745	-26.8033
182	1.149	-0.3415	-0.2458	0.5061	0.0483	0.5225	-0.0285	-0.0202	-0.086	0.1955	0.0273	0.2755	-0.3047	-0.0201	0.0291	0.2608	0.0151	-0.0073	-0.0393	-0.062	0.2696	-83.722	-3.6939	-18.0543
183	3.6973	0.4174	0.6035	0.4014	0.4144	1.3267	0.3762	0.6025	-0.1552	0.5796	-0.0341	0.0571	-0.064	0.2532	0.1044	0.1768	0.0604	0.0796	0.2056	-0.0713	0.0136	-83.1245	0.1211	-47.7173
184	2.9993	0.9079	-0.1746	0.2845	-0.0797	0.2691	-0.1032	0.4136	-0.1707	-0.3303	0.2207	0.0179	-0.3767	-0.243	0.0169	0.3193	-0.039	0.0433	0.0647	0.0781	0.0637	-83.1932	29.7623	-53.2671
185	0.2514	0.1541	0.4377	0.0998	0.2598	0.7793	-0.2675	-0.2856	0.2629	0.1787	0.093	-0.0823	-0.1372	-0.1001	-0.1449	0.1408	0.1592	0.1912	-0.1803	-0.1132	0.3112	-32.7068	44.6532	-28.216
186	1.4117	-0.333	0.2634	0.9818	0.4719	1.7807	0.0669	0.4657	-0.138	0.2387	-0.0877	0.1551	-0.9432	0.0476	-0.1235	0.1767	-0.0641	0.0739	0.3058	0.0484	0.0848	-32.1077	27.9944	-52.9952
187	1.057	-0.483	-0.6472	2.8074	-1.8991	2.261	0.3754	0.1747	-0.3694	-0.0089	0.1531	0.2848	-0.7119	-0.0069	0.7203	0.1779	-0.0208	-0.0889	0.0319	-0.3871	0.3629	-32.115	-0.7864	-45.0648
188	0.6657	0.1371	0.3998	0.516	0.4161	0.4607	0.1174	-0.4576	0.0886	-0.1525	-0.2097	0.3542	0.3883	-0.2289	-0.0073	0.1949	-0.0425	-0.0853	0.1218	-0.0037	0.198	-33.0715	-2.2862	-15.1498
189	1.0225	-0.2979	0.0345	0.4126	0.0918	0.1544	-0.5756	-0.0179	-0.1054	0.307	0.3736	-0.1379	0.0791	0.1036	-0.0105	0.2306	-0.0316	0.005	0.2243	-0.0981	0.1066	-33.2913	25.878	-4.9827
190	2.3544	-0.993	-1.4746	3.6823	1.2082	1.3407	0.2994	0.5894	0.2598	-0.626	0.0376	0.0537	-0.0723	-0.1635	0.248	0.3018	0.1125	-0.1283	0.599	-0.1016	-0.0421	-35.1706	88.8864	-36.1074
191	1.2439	-0.1986	1.6897	0.2277	-0.9788	4.8385	-0.2341	0.5129	0.2475	-0.0524	0.0922	0.0564	0.1455	0.4416	-0.0141	-0.0648	-0.2061	-0.0809	-0.0124	0.0362	0.2409	-35.8789	59.7871	-15.3354
192	0.8637	0.3233	0.3387	0.1212	0.1082	0.4705	0.4647	0.2005	-0.4542	0.3413	0.3033	-0.4246	0.6162	0.4148	0.1678	0.39	0.1662	-0.2117	0.1313	-0.175	0.1596	-37.0422	69.9319	19.1249
193	0.3958	-0.6317	0.5254	1.1281	-0.9793	0.8577	0.0889	-0.266	-0.3246	0.4014	0.0464	0.18	-0.6604	0.0401	0.0111	0.0559	-0.0246	-0.0402	0.3392	0.1315	0.2288	-36.5722	105.6332	20.0402
194	0.6177	-0.8956	-0.876	1.3031	1.272	1.2404	0.2805	-0.001	0.3554	-0.159	0.2488	-0.186	-0.4462	-0.0604	0.2325	0.2049	-0.2328	0.0989	0.0581	0.0983	0.2071	-35.6991	117.5348	-14.3563
195	0.4726	0.7281	-0.1721	1.9414	0.232	0.3728	-0.0601	-0.2988	-0.1335	0.6852	-0.3199	-0.0411	-0.3965	0.0242	0.0012	0.3704	0.0866	0.0694	0.3644	0.009	0.0628	-81.0347	78.0621	21.7815
196	0.0768	0.118	0.2461	0.8507	0.3118	0.8071	-0.0723	-0.0077	0.274	0.1147	-0.1385	0.4431	-0.2559	0.0924	-0.1961	0.1734	-0.0104	-0.0234	0.0151	0.0845	0.2358	-80.965	58.2825	-8.133
197	1.4556	0.7233	0.3871	4.5838	-2.4563	2.3101	0.1438	0.2289	-0.0343	-0.3733	-0.0368	0.2484	0.3114	0.0246	0.1962	0.0118	0.0662	0.072	0.2978	-0.0776	0.1347	-79.9101	80.0352	-36.2741
198	2.838	-0.1892	-0.2311	0.9796	0.5154	0.2811	0.1844	0.5738	0.2144	-0.4979	-0.0457	-0.2677	-0.4224	-0.6903	0.0632	0.2369	0.0153	-0.0364	0.3012	0.0766	0.071	-79.2362	113.6243	-24.202
199	2.5496	3.3647	-0.3884	4.4435	-0.5093	0.0561	-0.2844	-0.1811	0.508	0.4849	0.4372	0.3953	-0.558	0.0632	0.0135	0.1647	0.0709	0.033	0.2675	0.0364	0.0313	-80.5829	30.3824	-2.024
200	2.583	-0.4183	-1.7796	0.1632	0.488	2.4034	-0.1401	0.6518	0.4043	-0.0168	0.1618	0.3615	-0.2398	-0.3891	0.0154	0.1817	-0.105	-0.0313	0.1402	0.0271	0.3297	-80.1505	49.3156	-32.3442
201	3.1013	-0.7579	0.5479	0.3866	-0.1083	0.1	-0.2596	-0.5054	-0.3639	0.0141	0.1955	0.1916	0.0546	-0.4614	0.0353	0.2624	0.0487	-0.0354	0.1054	0.0283	0.093	-80.5652	-4.4407	-10.4081
202	1.6858	-1.7987	-0.0782	1.9447	0.1819	0.4215	-0.3424	-0.2899	-0.2561	0.5352	0.5093	0.1338	0.6257	0.4708	0.0253	0.2199	0.0989	-0.0103	0.3439	-0.0664	0.0552	-79.9234	-7.4219	-46.0012
203	1.2375	1.2051	0.3482	2.7593	0.0907	0.4909	0.0995	0.585	0.2524	-1.0741	-0.3382	-0.3111	-0.1049	0.2276	-0.0305	0.2173	0.0584	0.1265	0.1012	-0.0054	0.3689	-79.7623	25.881	-59.8052
204	1.1242	0.2574	-0.5831	0.605	0.5082	1.6689	-0.3516	-0.4767	0.2807	0.2827	0.125	0.671	0.1735	0.1863	0.1643	0.2107	0.2002	0.1284	0.2206	-0.0216	0.4109	-36.1051	48.6793	-21.8244
205	3.0056	-2.6499	1.4652	2.3434	-1.2457	1.0793	-0.207	0.0305	0.537	0.1349	0.2313	-0.454	0.1716	0.2174	-0.3318	0.3646	0.0004	0.0167	0.275	-0.1696	0.0526	-35.5177	35.3547	-55.107
206	0.1006	-0.3559	0.2829	1.4766	-0.9776	0.7945	0.0575	0.2713	-0.4831	-0.5968	-0.0752	0.067	0.0614	0.0219	-0.3069	0.3745	-0.0064	-0.1437	0.1714	-0.282	0.561	-35.2648	-0.243	-52.7231
207	1.3094	0.1339	0.2034	0.9891	-0.1168	0.1302	-0.1222	0.1083	0.0567	-0.5529	0.7751	-0.0725	-0.0294	-0.5581	-0.0021	0.2579	0.1394	0.011	0.0857	0.0974	0.5511	-36.2482	-9.4323	-18.012
208	1.4499	0.5961	0.168	1.094	-0.0608	0.287	-0.091	-0.3229	-0.2765	0.5455	-0.2694	-0.1008	-0.4621	-0.447	0.0081	0.0952	0.0124	0.0479	0.5152	-0.044	0.1448	-36.7361	21.0206	0.9626
209	1.015	-0.3737	0.5367	0.1349	-0.2216	0.3937	0.4175	-0.1691	-0.5801	-0.0809	0.0004	0.0661	0.1262	-0.525	0.0487	0.1862	0.002	-0.0009	0.3608	0.1547	0.1746	-15.4368	102.4202	-27.798
210	0.5194	-0.7766	0.6884	7.276	-0.9924	0.8948	0.3771	-0.2619	-0.049	-0.2155	-0.2461	1.1423	-0.0658	-0.4209	0.1889	0.2306	0.0143	0.1307	0.1218	-0.148	-0.1152	-15.5424	70.9801	-25.1586
211	0.3668	-0.2744	-0.1368	0.3555	-0.0085	0.4956	0.4874	0.6553	0.072	-0.2367	0.0268	0.3027	-0.0462	-0.0921	0.0042	0.1743	0.0758	-0.0009	0.3246	-0.0337	0.1563	-16.585	63.5355	5.4871
212	0.2851	-0.2522	0.1688	0.6138	-0.0971	0.5849	-0.0647	0.2266	0.3772	-0.1182	-0.2605	0.2148	0.2622	-0.5746	-0.0081	0.2246	0.043	-0.083	0.3733	-0.0289	0.1854	-16.9848	90.4544	22.0557
213	0.0895	0.3455	-0.2834	1.3396	-1.1977	1.8567	0.192	0.0512	-0.0886	0.4416	0.0121	0.7133	-0.0844	-0.1593	0.0966	0.1642	-0.0202	-0.0038	0.0333	-0.0313	0.2215	-15.6985	113.724	1.5325
214	0.5439	0.3074	0.13	1.1894	-0.519	1.3424	0.3558	0.0366	0.1049	0.0247	-0.3578	0.0206	-0.0765	0.9384	-0.0749	0.1834	-0.0449	0.0874	0.234	-0.093	0.0928	-100.7491	93.988	19.093
215	0.1876	0.1108	-0.1174	0.1967	0.1001	0.2109	0.4478	0.118	0.435	-0.0028	-0.1244	-0.5269	-0.1707	0.1629	-0.0002	0.1433	0.0292	0.1055	0.1827	-0.0492	0.5185	-101.0695	65.6904	5.5071
216	0.0543	-0.1025	-0.0247	0.3542	-0.9585	5.1849	0.4341	-0.0543	0.0108	-0.0228	0.1352	0.2194	-0.0615	0.7535	0.0036	0.2865	-0.0205	0.0674	-0.0932	-0.1411	0.2069	-100.4376	69.8345	-25.8763
217	0.2372	0.0611	0.0924	0.3091	0.1603	0.4709	0.3672	0.5836	0.2277	0.4544	-0.2145	-0.3035	0.3051	0.3656	-0.0003	0.1892	0.0277	-0.0844	0.2821	0.0893	0.3301	-99.4099	100.5152	-31.7839
218	0.6693	-0.2822	0.5775	1.0433	-0.2891	1.3891	0.2419	-0.2202	-0.131	0.2309	0.3578	0.0184	-0.5071	0.2471	0.1123	0.2106	0.029	0.0468	0.2226	-0.0967	0.1158	-100.5005	40.0763	-14.3457
219	0.2286	0.0964	-0.125	0.1531	0.0515	0.42	0.2056	0.0603	-0.4413	-0.2337	-0.1848	-0.5108	0.004	0.304	0.0037	0.2438	0.0441	0.016	0.2055	0.079	0.2519	-99.8113	40.8948	-45.8402
220	0.1872	0.0985	-0.1286	0.938	0.0273	0.2773	0.1318	-0.2745	-0.0956	-0.678	-0.1447	-0.4549	0.2731	0.3036	0.0004	0.2461	-0.0031	0.1483	0.2221	0.0742	0.0829	-100.4804	9.9999	-4.9118
221	0.7888	0.0109	0.9962	0.7139	0.2696	2.2221	0.2948	-0.1566	-0.5909	0.1554	0.4876	-0.5295	-0.5118	-0.1061	0.184	0.1971	-0.0745	0.1068	-0.1036	0.0335	0.3863	-100.1793	-8.0857	-30.9607
222	0.6101	-0.1463	-0.0669	0.4999	-0.0091	0.8118	0.4465	0.2659	-0.2636	-0.0631	0.0195	-0.0015	0.1188	0.3892	0.0561	0.0859	-0.0025	0.0297	0.3928	-0.1023	0.1449	-99.9149	10.9711	-55.8736
223	0.7828	0.2223	-0.6053	0.7697	-0.4537	0.9431	0.1864	0.2954	0.1993	0.21	-0.0941	0.4538	-0.1806	-0.352	0.111	0.2332	-0.0379	-0.0941	0.022	-0.3006	0.0548	-16.4181	37.9634	-10.1539
224	0.0578	0.0545	-0.125	1.0251	-0.6949	0.5772	-0.0796	0.1202	-0.005	0.5382	-0.0879	-0.1874	0.084	0.2003	-0.1097	0.1471	0.079	0.1328	0.0851	-0.0487	0.12	-15.8432	43.1779	-41.3079
225	0.2263	0.0034	0.1014	0.5179	-0.2783	0.5315	0.2633	0.6971	-0.1936	0.0785	-0.1215	0.2649	-0.1958	-0.196	0.0002	0.2154	-0.1627	0.2536	0.5448	-0.3025	0.4523	-15.1137	14.9221	-55.1521
226	1.7321	-0.3937	1.6364	0.0939	-0.4069	2.0931	0.0574	-0.1934	-0.494	-0.4217	-0.086	0.144	0.5678	-0.1964	0.1515	0.3411	0.1279	0.0316	-0.0908	-0.2413	0.4818	-15.7572	-7.4484	-32.8707
227	0.1569	-0.1744	0.0984	0.2987	-0.3027	0.4021	0.342	0.0308	-0.5672	-0.2526	-0.5275	0.4983	0.1434	-0.6211	-0.0003	0.2592	-0.0371	-0.1108	0.4021	-0.0034	0.5117	-16.6714	6.8745	-4.9318
228	0.5732	0.036	0.4674	0.1588	-0.1268	0.5298	-0.0785	0.1886	-0.0494	-0.0233	-0.2152	0.1294	0.0255	-0.0652	-0.334	0.3244	0.0308	-0.0076	0.5485	-0.1964	0.0884	-28.0135	82.524	-38.9621
229	2.1781	-1.4693	0.7692	1.0421	-0.5693	1.2281	-0.0389	-0.0817	-0.4756	0.3482	0.1672	-0.1705	-0.0876	-0.0545	-0.0987	0.3166	-0.1202	-0.0912	0.0306	0.0762	0.4275	-29.1509	54.9177	-9.9706
230	1.3552	0.0642	-0.3514	0.2024	-0.0888	0.1151	0.1251	0.1447	0.2885	-0.6475	0.1404	0.3761	0.5573	-0.0483	-0.0174	0.303	0.0729	-0.1119	0.0849	0.1831	0.2524	-30.2272	72.9755	25.6391
231	0.5802	0.365	-0.4125	0.4368	-0.4722	0.5186	-0.2568	-0.0076	0.2936	-0.1672	0.2697	-0.0764	0.1911	0.0891	0.1047	0.362	0	0.0382	0.0436	-0.1089	0.2752	-28.3919	118.4859	-21.2306
232	0.3883	0.0914	-0.0959	0.3193	0.0645	0.0489	0.1578	0.0154	0.015	-0.4452	0.0964	0.5643	0.0647	-0.0755	-0.0374	0.3156	0.0901	0.0602	0.0947	0.1156	0.2004	-88.2691	71.219	22.3189
233	1.665	-0.6527	0.149	0.9264	-0.3619	0.6787	0.4503	-0.0549	0.4974	0.264	-0.1207	-0.1995	0.5326	-0.0182	0.0924	0.3722	-0.0268	0.0758	-0.0418	-0.132	0.5703	-87.9534	55.9433	-14.8532
234	1.5589	-0.2667	0.5814	0.426	0.1712	1.2631	0.0013	-0.0642	0.0217	-0.5345	0.4619	0.0825	-0.3276	-0.2605	0.3912	0.1635	-0.1833	0.1148	0.5525	0.209	-0.0436	-86.6566	85.3736	-41.2733
235	0.3898	-0.8534	0.5388	1.8752	-1.1902	0.7546	0.2648	-0.0196	0.0349	-0.6577	0.3778	0.7341	-0.0893	-0.2304	0.3057	0.345	0.0062	0.174	0.0631	0.2356	0.8084	-86.2154	119.8959	-20.7457
236	1.5104	0.5138	0.2963	1.3417	0.3938	0.1308	-0.1177	-0.2493	-0.0585	0.2862	0.1365	0.0471	0.0102	0.0699	0.0106	0.2177	0.1296	0.0957	0.0464	-0.0972	-0.0626	-87.724	25.5117	3.1501
237	0.4275	-0.4333	0.6491	0.7031	-0.8976	1.3428	-0.1539	-0.3109	-0.1477	0.3628	0.3135	0.2155	-0.2362	-0.097	0.0192	0.1436	0.0744	-0.1567	0.0886	-0.0427	0.305	-87.5122	52.4056	-25.9801
238	0.4552	-0.1445	0.1753	0.1906	-0.2997	0.4746	0.1129	0.0398	0.5152	-0.4575	0.0241	0.3995	0.2173	-0.0245	-0.0055	0.4048	-0.1243	0.1612	-0.2129	0.1647	0.3163	-87.6472	-10.8124	-13.4679
239	1.3797	-0.825	-0.9548	0.7704	0.8404	0.9222	0.2886	0.1992	-0.1904	-0.6099	0.0284	-0.1112	-0.1233	-0.0619	0.0214	0.3096	-0.2113	0.0441	0.1681	0.1267	0.1461	-86.7088	-6.5397	-53.2348
240	0.003	0.0012	0.0047	0.0006	0.0021	0.002	0.2827	0.2335	-0.1632	0.1239	-0.1664	0.0578	-0.5718	-0.6414	-0.001	0.3045	-0.0232	0.0252	0.3136	0.0924	0.2523	-86.5898	32.7906	-61.5447
241	0.9642	0.2118	0.1908	0.0738	-0.0434	0.3034	-0.2993	0.106	0.6301	-0.3568	0.0266	-0.4679	-0.0309	0.068	-0.1909	0.3758	-0.0223	-0.0477	0.0359	0.0709	0.4531	-28.9982	53.2198	-27.151
242	0.0037	0.0169	0.0041	0.0731	0.0241	0.0047	-0.2082	-0.2034	-0.2308	-0.0539	-0.1843	-0.0775	0.2692	0.0207	-0.5372	-0.0771	0.0047	0.311	0.7222	0.0323	-0.0851	-28.2446	31.4648	-60.8386
243	2	1.2066	2.3119	0.1458	0.3152	0.9889	0.43	-0.8637	-0.6915	-0.3294	0.102	-0.4509	0.2965	-0.0015	0.1124	0.1641	0.029	-0.1466	0.3475	-0.4125	0.8705	-28.3665	-7.1683	-50.8937
244	0.2593	-0.4069	0.1323	1.1357	-0.3121	0.0891	0.5219	-0.3775	-0.1305	-0.564	-0.0736	0.0143	0.4674	0.2565	-0.0143	0.2633	0.004	-0.0946	0.2895	-0.163	0.4519	-29.442	-9.8111	-10.829
245	0.1275	0.0651	0.102	0.0516	0.0632	0.0876	0.0968	0.2072	-0.1084	0.0478	0.2146	-0.1327	0.1645	0.5231	-0.3187	0.1231	-0.0478	-0.053	0.5376	-0.301	-0.1147	-29.8356	27.8737	3.4124
246	2.0408	-0.1978	-0.1665	2.2956	-0.0783	0.0926	0.1641	-0.0114	-0.8216	-0.1906	0.1971	-0.1357	0.0903	0.0796	-0.0015	0.4823	-0.2489	-0.0926	0.3652	-0.2115	0.2234	-28.3854	73.9528	-33.5682
247	2.563	0.4436	-0.553	0.423	-0.2384	4.4302	-0.1922	-0.4722	-0.5171	-0.1966	-0.2543	0.3138	0.1396	-0.0069	-0.1948	0.6221	-0.1142	0.1977	0.0851	0.1265	0.3368	-29.8124	57.392	-0.1443
248	0.2372	-0.7262	-0.287	2.5302	1.3666	1.249	0.0918	-0.0657	0.0854	-0.3058	0.0043	0.0813	0.5252	0.1368	0.0718	0.3615	0.0041	-0.076	0.6182	-0.3168	0.0971	-30.2299	82.9187	26.6185
249	0.0566	-0.3159	0.4121	5.4347	-2.6424	2.9662	0.0123	0.1546	-0.2728	-0.1643	0.4193	-0.5258	-0.0311	0.2403	0.6996	0.2288	-0.1476	-0.1004	-0.0023	-0.2904	0.3814	-29.9933	116.361	8.3022
250	0.6541	-0.0282	-0.3073	0.0398	0.0065	0.1456	0.1099	0.4274	-0.0907	-0.4904	-0.4457	-0.0312	-0.0251	0.1846	-0.0036	0.6055	0.0601	-0.1938	0.2509	0.1903	0.3373	-28.4325	110.7746	-27.7687
251	0.0588	0.0402	0.0125	0.0279	0.0079	0.0284	0.0584	0.3719	-0.3425	0.104	-0.0621	0.1456	0.4856	0.1892	-0.0035	0.2967	0.0061	-0.1727	0.4762	-0.0339	0.6579	-88.1076	65.0151	14.2744
252	0.2149	-0.269	-0.3906	0.4819	1.203	4.2164	0.0477	0.1101	-0.126	-0.5729	0.0029	0.0581	-0.0269	-0.0041	-0.0768	0.2271	-0.1551	0.1516	0.2692	-0.5877	0.5296	-87.1076	61.9262	-23.2114
253	0.8249	-0.2599	0.3801	0.4952	-0.4769	1.2915	-0.1611	0.1403	0.5725	0.0524	0.0318	0.0029	0.0433	-0.0048	-0.0334	0.0845	-0.1484	0.0418	0.674	0.094	0.2231	-86.3795	95.1948	-38.5749
254	0.4743	0.2341	0.2942	0.5624	0.8498	1.2923	0.2475	-0.1888	0.2256	-0.1787	0.0287	0.0701	-0.087	0.0546	-0.0351	0.5366	-0.2311	-0.194	-0.0052	-0.0754	0.604	-86.3027	120.123	-10.6845
255	0.5087	-0.3186	-0.2391	2.283	-0.4169	0.2647	-0.239	0.0986	-0.1941	0.1655	-0.1111	-0.0256	0.37	-0.1113	0.0033	0.5185	-0.2126	0.1869	1.3404	0.2293	0.017	-87.4263	15.7398	1.1037
256	1.5061	0.471	0.29	0.1572	0.2529	3.0876	0.0083	-0.7364	0.128	-0.0735	-0.0659	-0.2048	0.0424	0.1036	-0.1665	0.5169	-0.0032	0.3698	0.214	-0.1252	0.1251	-87.1271	46.9916	-17.1461
257	0.1825	-0.2288	0.1229	1.7593	1.2437	1.4151	0.373	-0.0342	-0.1719	0.0388	0.3341	0.4725	0.1533	-0.205	0.0684	0.3463	-0.084	0.0025	0.0318	0.3156	1.6462	-86.9379	-12.3416	-23.5738
258	0.0459	-0.0137	0.0085	0.0082	-0.0185	0.0662	0.0131	0.0305	0.2552	-0.748	0.0665	-0.2515	-0.0911	-0.062	-0.0008	0.4821	-0.2319	0.1211	1.1615	-0.377	0.2642	-86.5968	2.5478	-57.7438
259	4.0532	-1.0032	-2.0734	0.268	0.6047	1.4843	0.4866	-0.0323	0.638	-0.1394	0.2462	-0.1561	-0.2365	0.03	0.0604	0.7111	-0.6335	-0.4058	1.6401	0.399	0.3101	-86.9029	39.8344	-54.6114
260	0.0119	0.0386	-0.0986	0.1254	-0.3341	0.8767	0.0914	0.6283	0.0471	-0.5546	-0.1013	0.0885	-0.2795	-0.1707	0.0023	0.5628	-0.0105	-0.1054	0.3956	0.1177	0.3906	-28.9596	50.3397	-36.6391
261	0.0063	0.1501	0.1434	3.2857	3.1621	3.0411	0.1503	0.0133	-0.0813	-0.2958	0.0807	-0.0631	0.4273	0.1788	-0.0589	0.6356	-0.3099	-0.0853	0.187	-0.1009	-0.0711	-28.4878	21.2783	-60.4293
262	0.0197	-0.0149	-0.0023	0.0114	-0.0005	0.0026	0.2271	-0.4388	-0.1905	-0.0838	0.0039	-0.0471	0.2292	-0.1018	0.001	0.6197	-0.1058	0.0339	0.1518	-0.0924	1.1897	-28.8113	-10.3076	-41.2596
263	0.0037	-0.0431	-0.104	0.4279	1.0324	2.7929	0.3119	-0.3964	0.2175	0.1831	-0.5236	0.2883	0.2437	0.0491	0	0.4075	-0.2573	-0.1534	0.9843	0.4229	0.3135	-29.7817	-1.6579	-4.8968
264	0.5059	-0.1675	-0.0692	0.3511	-0.3716	1.273	0.3378	0.3041	0.6908	0.0736	0.3663	-0.1333	-0.1196	0.0359	0.0805	0.2598	0.2022	0.078	0.3467	-0.0275	0.292	-30.0531	35.8961	-2.7686
265	3.2846	1.8899	0.5381	2.0858	0.2688	0.2888	0.1555	-0.4975	-0.2966	-0.2622	-0.3272	0.245	0.0896	0.1806	-0.0216	0.1277	-0.0115	0.1109	0.2489	-0.0832	-0.0688	-23.7525	87.0062	-33.7135
266	1.2013	-0.078	0.3241	0.4404	0.3132	0.4257	0.0807	-0.2545	-0.8011	0.0847	-0.1269	-0.3802	-0.0605	-0.4367	0.0025	0.1738	0.1157	-0.0454	0.1784	-0.1118	0.1844	-24.5818	61.0378	-12.6283
267	3.1292	-1.0108	-2.2193	1.0731	0.7408	2.235	-0.1412	-0.1184	0.4754	0.0673	0.2254	-0.1915	0.7821	0.0026	0.0278	0.1539	0.0972	-0.0163	0.1699	-0.1004	0.0391	-25.4325	72.4505	18.9347
268	1.1715	-0.3877	-0.9875	0.4589	0.3508	0.8419	-0.1772	-0.5175	0.056	0.2369	0.1237	-0.1144	0.1362	0.1458	0.0139	0.3075	0.0015	-0.1257	-0.0101	-0.1186	0.0145	-25.28	106.1626	17.1383
269	4.2906	-0.3529	3.0396	0.823	-0.1831	2.8785	0.7775	0.5609	0.6809	-0.0944	-0.6374	-0.3257	0.6216	0.6412	0.0893	0.2147	0.0333	0.023	0.0705	0.1673	0.2036	-24.169	115.0009	-15.0517
270	0.19	0.0569	0.14	0.0179	0.042	0.0667	0.3167	-0.0042	0.2044	-0.052	-0.3388	-0.1478	0.1577	-0.2821	0.0035	0.2656	0.0058	0.0755	0.1351	0.0646	0.1485	-92.5319	77.4112	19.1104
271	4.9097	-1.1346	-1.8637	0.3987	0.4588	0.9745	-0.1416	0.382	-0.1077	0.0878	-0.0306	0.0733	0.0876	-0.03	-0.1381	0.0973	-0.0069	-0.0724	-0.0174	-0.0698	0.3225	-92.3027	60.7517	-10.0962
272	2.0991	-0.1227	-0.6007	0.0305	0.0007	0.2764	0.259	0.7778	0.7197	0.108	-0.014	0.2313	-0.3051	-0.3389	0.0855	0.2289	-0.0192	-0.0158	0.3023	-0.0159	0.1449	-91.3673	82.5328	-35.1515
273	2.1565	0.1149	0.5339	0.6802	0.3525	0.5783	-0.159	-0.5492	0.3793	-0.1073	0.0119	-0.2741	-0.2117	-0.3269	-0.0498	0.2809	-0.0432	-0.0528	0.0631	0.0184	0.1427	-90.8366	113.3358	-21.8227
274	0.8888	-0.759	0.6284	2.0492	-0.3623	0.5137	-0.1544	-0.1752	-0.1072	0.5175	0.0685	0.4268	-0.1117	0.2594	0.0715	0.1951	0.0496	0.0893	0.2777	-0.0056	-0.0088	-92.0791	27.9931	-3.402
275	5.232	0.1996	2.0574	0.4277	0.4529	1.2163	0.0997	-0.2594	0.5063	0.032	0.0477	-0.057	0.2601	0.1035	0.3536	0.2106	0.0787	-0.0712	0.0063	0.0375	0.1204	-91.7199	47.3592	-30.5614
276	2.3882	-1.5921	-1.7191	1.2264	1.0915	1.6117	0.0965	0.3777	-0.7735	0.3547	-0.3182	0.0651	-0.2904	-0.303	-0.0612	0.1877	-0.0961	0.0813	0.1153	0.047	0.3084	-92.0645	-4.0315	-13.194
277	3.0671	1.0175	-2.2949	0.544	-0.59	2.4072	0.3522	0.3469	0.2432	-0.0683	-0.1308	0.5805	-0.4222	-0.3623	0.1041	0.1652	0.0499	-0.0781	0.3315	-0.1645	0.3051	-91.4123	-4.636	-46.7242
278	0.7462	-0.0899	-0.036	0.6379	0.0798	-0.0038	0.138	-0.1653	0.7943	-0.5534	-0.222	0.6478	-0.1727	-0.2038	-0.0032	0.2182	-0.0319	-0.0031	0.3969	0.0398	0.2355	-91.276	27.1741	-57.5995
279	0.1658	-0.1167	-0.1221	0.0786	0.1504	0.3505	0.0262	0.243	0.7732	-0.281	-0.336	-0.4546	0.0032	0.238	-0.0021	0.217	-0.039	0.0797	0.2414	-0.0411	0.3537	-24.6475	47.1224	-23.8265
280	2.3882	1.7662	1.2899	2.4543	0.9105	0.7442	-0.1876	0.2269	-0.5203	-0.3214	-0.0122	-0.8636	-0.528	0.3606	0.0193	0.1209	-0.0899	0.1416	0.2408	-0.1922	0.0596	-24.0341	32.8462	-54.0275
281	0.2681	0.0525	0.2849	0.0497	-0.0228	0.2886	0.37	0.6266	-0.6295	0.5401	0.3121	0.0334	0.2028	0.0194	0.0001	0.262	0.0414	-0.0878	0.3622	-0.2059	0.6125	-23.7857	-0.3368	-49.7642
282	0.9494	0.438	0.2492	0.257	0.1693	0.0826	0.3808	-1.0299	-0.0254	0.2098	-0.0261	-0.2884	-0.1621	0.4878	-0.0012	0.2276	-0.0588	0.034	0.2786	-0.074	0.3773	-24.7705	-6.8779	-16.8224
283	0.7076	-0.0716	-0.4313	0.4839	-0.3543	0.5543	0.3105	-0.7676	-0.0376	0.1209	-0.2494	-0.1529	0.2247	0.0808	0.0068	0.2257	-0.0575	-0.0931	0.3115	-0.0303	0.165	-25.3145	22.7558	-0.9585

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain A and resid 1:8
2	X-RAY DIFFRACTION	2	chain B and resid 1:8
3	X-RAY DIFFRACTION	3	chain C and resid 1:8
4	X-RAY DIFFRACTION	4	chain D and resid 1:8
5	X-RAY DIFFRACTION	5	chain E and resid 1:8
6	X-RAY DIFFRACTION	6	chain F and resid 1:8
7	X-RAY DIFFRACTION	7	chain G and resid 1:8
8	X-RAY DIFFRACTION	8	chain H and resid 1:8
9	X-RAY DIFFRACTION	9	chain I and resid 1:8
10	X-RAY DIFFRACTION	10	chain L and resid 1:8
11	X-RAY DIFFRACTION	11	chain K and resid 1:8
12	X-RAY DIFFRACTION	12	chain M and resid 1:8
13	X-RAY DIFFRACTION	13	chain N and resid 1:8
14	X-RAY DIFFRACTION	14	chain O and resid 1:8
15	X-RAY DIFFRACTION	15	chain P and resid 1:8
16	X-RAY DIFFRACTION	16	chain Q and resid 1:8
17	X-RAY DIFFRACTION	17	chain R and resid 1:8
18	X-RAY DIFFRACTION	18	chain S and resid 1:8
19	X-RAY DIFFRACTION	19	chain T and resid 1:8
20	X-RAY DIFFRACTION	20	chain A and resid 9:10
21	X-RAY DIFFRACTION	21	chain B and resid 9:10
22	X-RAY DIFFRACTION	22	chain C and resid 9:10
23	X-RAY DIFFRACTION	23	chain D and resid 9:10
24	X-RAY DIFFRACTION	24	chain E and resid 9:10
25	X-RAY DIFFRACTION	25	chain F and resid 9:10
26	X-RAY DIFFRACTION	26	chain G and resid 9:10
27	X-RAY DIFFRACTION	27	chain H and resid 9:10
28	X-RAY DIFFRACTION	28	chain I and resid 9:10
29	X-RAY DIFFRACTION	29	chain K and resid 9:10
30	X-RAY DIFFRACTION	30	chain M and resid 9:10
31	X-RAY DIFFRACTION	31	chain N and resid 9:10
32	X-RAY DIFFRACTION	32	chain O and resid 9:10
33	X-RAY DIFFRACTION	33	chain P and resid 9:10
34	X-RAY DIFFRACTION	34	chain Q and resid 9:10
35	X-RAY DIFFRACTION	35	chain R and resid 9:10
36	X-RAY DIFFRACTION	36	chain S and resid 9:10
37	X-RAY DIFFRACTION	37	chain T and resid 9:10
38	X-RAY DIFFRACTION	38	chain A and resid 12
39	X-RAY DIFFRACTION	39	chain B and resid 12
40	X-RAY DIFFRACTION	40	chain C and resid 12
41	X-RAY DIFFRACTION	41	chain D and resid 12
42	X-RAY DIFFRACTION	42	chain E and resid 12
43	X-RAY DIFFRACTION	43	chain F and resid 12
44	X-RAY DIFFRACTION	44	chain G and resid 12
45	X-RAY DIFFRACTION	45	chain H and resid 12
46	X-RAY DIFFRACTION	46	chain I and resid 12
47	X-RAY DIFFRACTION	47	chain L and resid 12
48	X-RAY DIFFRACTION	48	chain K and resid 12
49	X-RAY DIFFRACTION	49	chain M and resid 12
50	X-RAY DIFFRACTION	50	chain N and resid 12
51	X-RAY DIFFRACTION	51	chain O and resid 12
52	X-RAY DIFFRACTION	52	chain P and resid 12
53	X-RAY DIFFRACTION	53	chain Q and resid 12
54	X-RAY DIFFRACTION	54	chain R and resid 12
55	X-RAY DIFFRACTION	55	chain S and resid 12
56	X-RAY DIFFRACTION	56	chain T and resid 12
57	X-RAY DIFFRACTION	57	chain A and resid 16
58	X-RAY DIFFRACTION	58	chain B and resid 16
59	X-RAY DIFFRACTION	59	chain C and resid 16
60	X-RAY DIFFRACTION	60	chain D and resid 16
61	X-RAY DIFFRACTION	61	chain E and resid 16
62	X-RAY DIFFRACTION	62	chain F and resid 16
63	X-RAY DIFFRACTION	63	chain G and resid 16
64	X-RAY DIFFRACTION	64	chain H and resid 16
65	X-RAY DIFFRACTION	65	chain I and resid 16
66	X-RAY DIFFRACTION	66	chain L and resid 16
67	X-RAY DIFFRACTION	67	chain K and resid 16
68	X-RAY DIFFRACTION	68	chain M and resid 16
69	X-RAY DIFFRACTION	69	chain N and resid 16
70	X-RAY DIFFRACTION	70	chain O and resid 16
71	X-RAY DIFFRACTION	71	chain P and resid 16
72	X-RAY DIFFRACTION	72	chain Q and resid 16
73	X-RAY DIFFRACTION	73	chain R and resid 16
74	X-RAY DIFFRACTION	74	chain S and resid 16
75	X-RAY DIFFRACTION	75	chain T and resid 16
76	X-RAY DIFFRACTION	76	chain A and resid 17:20
77	X-RAY DIFFRACTION	77	chain B and resid 17:20
78	X-RAY DIFFRACTION	78	chain C and resid 17:20
79	X-RAY DIFFRACTION	79	chain D and resid 17:20
80	X-RAY DIFFRACTION	80	chain E and resid 17:20
81	X-RAY DIFFRACTION	81	chain F and resid 17:20
82	X-RAY DIFFRACTION	82	chain G and resid 17:20
83	X-RAY DIFFRACTION	83	chain H and resid 17:20
84	X-RAY DIFFRACTION	84	chain I and resid 17:20
85	X-RAY DIFFRACTION	85	chain L and resid 17:20
86	X-RAY DIFFRACTION	86	chain K and resid 17:20
87	X-RAY DIFFRACTION	87	chain M and resid 17:20
88	X-RAY DIFFRACTION	88	chain N and resid 17:20
89	X-RAY DIFFRACTION	89	chain O and resid 17:20
90	X-RAY DIFFRACTION	90	chain P and resid 17:20
91	X-RAY DIFFRACTION	91	chain Q and resid 17:20
92	X-RAY DIFFRACTION	92	chain R and resid 17:20
93	X-RAY DIFFRACTION	93	chain S and resid 17:20
94	X-RAY DIFFRACTION	94	chain T and resid 17:20
95	X-RAY DIFFRACTION	95	chain A and resid 26:39
96	X-RAY DIFFRACTION	96	chain B and resid 26:39
97	X-RAY DIFFRACTION	97	chain C and resid 26:39
98	X-RAY DIFFRACTION	98	chain D and resid 26:39
99	X-RAY DIFFRACTION	99	chain E and resid 26:39
100	X-RAY DIFFRACTION	100	chain F and resid 26:39
101	X-RAY DIFFRACTION	101	chain G and resid 26:39
102	X-RAY DIFFRACTION	102	chain H and resid 26:39
103	X-RAY DIFFRACTION	103	chain I and resid 26:39
104	X-RAY DIFFRACTION	104	chain L and resid 26:39
105	X-RAY DIFFRACTION	105	chain K and resid 26:39
106	X-RAY DIFFRACTION	106	chain M and resid 26:39
107	X-RAY DIFFRACTION	107	chain N and resid 26:39
108	X-RAY DIFFRACTION	108	chain O and resid 26:39
109	X-RAY DIFFRACTION	109	chain P and resid 26:39
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