PDB-6x0a: X-ray structure of a chimeric ParDE toxin-antitoxin complex from ...

Basic information

• Entry: Database: PDB / ID: 6x0a
• Title: X-ray structure of a chimeric ParDE toxin-antitoxin complex from Mesorhizobium opportunistum

Components

• Plasmid stabilization system
• Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

• Keywords: TOXIN / Toxin-antitoxin complex

Function / homology

Function:

regulation of DNA-templated transcription

Domain/homology:

Antitoxin ParD superfamily / Bacterial antitoxin of ParD toxin-antitoxin type II system and RHH / Antitoxin ParD / ParE toxin of type II toxin-antitoxin system, parDE / Toxin-antitoxin system, RelE/ParE toxin family / Toxin-antitoxin system, RelE/ParE toxin domain superfamily / Ribbon-helix-helix

Component:

1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE / Putative addiction module antidote protein, CopG/Arc/MetJ family / Plasmid stabilization system / Addiction module antidote protein, CopG/Arc/MetJ family

• Biological species: Mesorhizobium opportunistum
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.9 Å
• Authors: Lite, T.L. / Grant, R.A. / Laub, M.T.

Funding support

United States, 2items

Organization	Grant number	Country
Howard Hughes Medical Institute (HHMI)		United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R01GM082899	United States

• Citation: Journal: Elife / Year: 2020; Title: Uncovering the basis of protein-protein interaction specificity with a combinatorially complete library.; Authors: Lite, T.V. / Grant, R.A. / Nocedal, I. / Littlehale, M.L. / Guo, M.S. / Laub, M.T.

History

Deposition	May 15, 2020	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 25, 2020	Provider: repository / Type: Initial release
Revision 1.1	Oct 18, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / software / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Assembly

Deposited unit

A: Plasmid stabilization system

B: Plasmid stabilization system

C: Plasmid stabilization system

D: Plasmid stabilization system

E: Plasmid stabilization system

F: Plasmid stabilization system

G: Plasmid stabilization system

H: Plasmid stabilization system

I: Plasmid stabilization system

J: Plasmid stabilization system

K: Plasmid stabilization system

L: Plasmid stabilization system

M: Plasmid stabilization system

N: Plasmid stabilization system

O: Plasmid stabilization system

P: Plasmid stabilization system

Q: Plasmid stabilization system

R: Plasmid stabilization system

a: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

b: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

c: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

d: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

e: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

f: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

g: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

h: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

i: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

j: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

k: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

l: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

m: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

n: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

o: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

p: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

q: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

r: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

hetero molecules

Summary:

• 402 kDa, 36 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	401,623	46
Polymers	400,001	36
Non-polymers	1,622	10
Water	0	0

1

A: Plasmid stabilization system

a: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

hetero molecules

Summary:

• defined by author&software
• 22.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,547	4
Polymers	22,222	2
Non-polymers	324	2
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3250 Å2
ΔGint	-21 kcal/mol
Surface area	11780 Å2
Method	PISA

2

B: Plasmid stabilization system

b: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

hetero molecules

Summary:

• defined by author&software
• 22.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,384	3
Polymers	22,222	2
Non-polymers	162	1
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3160 Å2
ΔGint	-21 kcal/mol
Surface area	12050 Å2
Method	PISA

3

C: Plasmid stabilization system

c: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

hetero molecules

Summary:

• defined by author&software
• 22.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,547	4
Polymers	22,222	2
Non-polymers	324	2
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3170 Å2
ΔGint	-22 kcal/mol
Surface area	11960 Å2
Method	PISA

4

D: Plasmid stabilization system

d: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

hetero molecules

Summary:

• defined by author&software
• 22.5 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,547	4
Polymers	22,222	2
Non-polymers	324	2
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3210 Å2
ΔGint	-21 kcal/mol
Surface area	11820 Å2
Method	PISA

5

E: Plasmid stabilization system

e: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

hetero molecules

Summary:

• defined by author&software
• 22.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,384	3
Polymers	22,222	2
Non-polymers	162	1
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3200 Å2
ΔGint	-20 kcal/mol
Surface area	11000 Å2
Method	PISA

6

F: Plasmid stabilization system

f: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3130 Å2
ΔGint	-21 kcal/mol
Surface area	11750 Å2
Method	PISA

7

G: Plasmid stabilization system

g: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3120 Å2
ΔGint	-21 kcal/mol
Surface area	12130 Å2
Method	PISA

8

H: Plasmid stabilization system

h: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	2980 Å2
ΔGint	-23 kcal/mol
Surface area	10710 Å2
Method	PISA

9

I: Plasmid stabilization system

i: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	2980 Å2
ΔGint	-25 kcal/mol
Surface area	11710 Å2
Method	PISA

10

J: Plasmid stabilization system

j: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3080 Å2
ΔGint	-24 kcal/mol
Surface area	11240 Å2
Method	PISA

11

K: Plasmid stabilization system

k: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3210 Å2
ΔGint	-23 kcal/mol
Surface area	11800 Å2
Method	PISA

12

L: Plasmid stabilization system

l: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

hetero molecules

Summary:

• defined by author&software
• 22.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,384	3
Polymers	22,222	2
Non-polymers	162	1
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3220 Å2
ΔGint	-23 kcal/mol
Surface area	11860 Å2
Method	PISA

13

M: Plasmid stabilization system

m: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

hetero molecules

Summary:

• defined by author&software
• 22.4 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,384	3
Polymers	22,222	2
Non-polymers	162	1
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3270 Å2
ΔGint	-22 kcal/mol
Surface area	11600 Å2
Method	PISA

14

N: Plasmid stabilization system

n: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3050 Å2
ΔGint	-25 kcal/mol
Surface area	11690 Å2
Method	PISA

15

O: Plasmid stabilization system

o: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	2990 Å2
ΔGint	-25 kcal/mol
Surface area	11070 Å2
Method	PISA

16

P: Plasmid stabilization system

p: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3100 Å2
ΔGint	-25 kcal/mol
Surface area	11970 Å2
Method	PISA

17

Q: Plasmid stabilization system

q: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	3070 Å2
ΔGint	-25 kcal/mol
Surface area	11860 Å2
Method	PISA

18

R: Plasmid stabilization system

r: Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Summary:

• defined by author&software
• 22.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	22,222	2
Polymers	22,222	2
Non-polymers	0	0
Water	0

Symmetry operations:

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

Calculated values:

Buried area	2960 Å2
ΔGint	-25 kcal/mol
Surface area	11510 Å2
Method	PISA

Unit cell

Length a, b, c (Å)	148.540, 148.540, 195.270
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	145
Space group name H-M	P32

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	(chain A and resid 5 through 92)
2	1	(chain B and resid 5 through 92)
3	1	(chain C and resid 5 through 92)
4	1	(chain D and resid 5 through 92)
5	1	(chain E and resid 5 through 92)
6	1	(chain F and resid 5 through 92)
7	1	(chain G and resid 5 through 92)
8	1	(chain H and resid 5 through 92)
9	1	chain I
10	1	(chain J and resid 5 through 92)
11	1	(chain K and resid 5 through 92)
12	1	(chain L and resid 5 through 92)
13	1	(chain M and resid 5 through 92)
14	1	(chain N and resid 5 through 92)
15	1	(chain O and resid 5 through 92)
16	1	(chain P and resid 5 through 92)
17	1	(chain Q and resid 5 through 92)
18	1	(chain R and resid 5 through 92)
1	2	(chain a and resid 11 through 89)
2	2	(chain b and resid 11 through 89)
3	2	(chain c and resid 11 through 89)
4	2	(chain d and resid 11 through 89)
5	2	chain e
6	2	(chain f and resid 11 through 89)
7	2	(chain g and resid 11 through 89)
8	2	chain h
9	2	(chain i and resid 11 through 89)
10	2	(chain j and resid 11 through 89)
11	2	(chain k and resid 11 through 89)
12	2	(chain l and resid 11 through 89)
13	2	(chain m and resid 11 through 89)
14	2	(chain n and resid 11 through 89)
15	2	(chain o and resid 11 through 89)
16	2	(chain p and resid 11 through 89)
17	2	(chain q and resid 11 through 89)
18	2	(chain r and resid 11 through 89)

NCS domain segments:

Component-ID: 1

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	ARG	ARG	THR	THR	(chain A and resid 5 through 92)	A	A	5 - 92	19 - 106
2	1	ARG	ARG	THR	THR	(chain B and resid 5 through 92)	B	B	5 - 92	19 - 106
3	1	ARG	ARG	THR	THR	(chain C and resid 5 through 92)	C	C	5 - 92	19 - 106
4	1	ARG	ARG	THR	THR	(chain D and resid 5 through 92)	D	D	5 - 92	19 - 106
5	1	ARG	ARG	THR	THR	(chain E and resid 5 through 92)	E	E	5 - 92	19 - 106
6	1	ARG	ARG	THR	THR	(chain F and resid 5 through 92)	F	F	5 - 92	19 - 106
7	1	ARG	ARG	THR	THR	(chain G and resid 5 through 92)	G	G	5 - 92	19 - 106
8	1	ARG	ARG	THR	THR	(chain H and resid 5 through 92)	H	H	5 - 92	19 - 106
9	1	ARG	ARG	THR	THR	chain I	I	I	5 - 92	19 - 106
10	1	ARG	ARG	THR	THR	(chain J and resid 5 through 92)	J	J	5 - 92	19 - 106
11	1	ARG	ARG	THR	THR	(chain K and resid 5 through 92)	K	K	5 - 92	19 - 106
12	1	ARG	ARG	THR	THR	(chain L and resid 5 through 92)	L	L	5 - 92	19 - 106
13	1	ARG	ARG	THR	THR	(chain M and resid 5 through 92)	M	M	5 - 92	19 - 106
14	1	ARG	ARG	THR	THR	(chain N and resid 5 through 92)	N	N	5 - 92	19 - 106
15	1	ARG	ARG	THR	THR	(chain O and resid 5 through 92)	O	O	5 - 92	19 - 106
16	1	ARG	ARG	THR	THR	(chain P and resid 5 through 92)	P	P	5 - 92	19 - 106
17	1	ARG	ARG	THR	THR	(chain Q and resid 5 through 92)	Q	Q	5 - 92	19 - 106
18	1	ARG	ARG	THR	THR	(chain R and resid 5 through 92)	R	R	5 - 92	19 - 106
1	2	VAL	VAL	ILE	ILE	(chain a and resid 11 through 89)	a	S	11 - 89	11 - 89
2	2	VAL	VAL	ILE	ILE	(chain b and resid 11 through 89)	b	T	11 - 89	11 - 89
3	2	VAL	VAL	ILE	ILE	(chain c and resid 11 through 89)	c	U	11 - 89	11 - 89
4	2	VAL	VAL	ILE	ILE	(chain d and resid 11 through 89)	d	V	11 - 89	11 - 89
5	2	VAL	VAL	ILE	ILE	chain e	e	W	11 - 89	11 - 89
6	2	VAL	VAL	ILE	ILE	(chain f and resid 11 through 89)	f	X	11 - 89	11 - 89
7	2	VAL	VAL	ILE	ILE	(chain g and resid 11 through 89)	g	Y	11 - 89	11 - 89
8	2	VAL	VAL	ILE	ILE	chain h	h	Z	11 - 89	11 - 89
9	2	VAL	VAL	ILE	ILE	(chain i and resid 11 through 89)	i	AA	11 - 89	11 - 89
10	2	VAL	VAL	ILE	ILE	(chain j and resid 11 through 89)	j	BA	11 - 89	11 - 89
11	2	VAL	VAL	ILE	ILE	(chain k and resid 11 through 89)	k	CA	11 - 89	11 - 89
12	2	VAL	VAL	ILE	ILE	(chain l and resid 11 through 89)	l	DA	11 - 89	11 - 89
13	2	VAL	VAL	ILE	ILE	(chain m and resid 11 through 89)	m	EA	11 - 89	11 - 89
14	2	VAL	VAL	ILE	ILE	(chain n and resid 11 through 89)	n	FA	11 - 89	11 - 89
15	2	VAL	VAL	ILE	ILE	(chain o and resid 11 through 89)	o	GA	11 - 89	11 - 89
16	2	VAL	VAL	ILE	ILE	(chain p and resid 11 through 89)	p	HA	11 - 89	11 - 89
17	2	VAL	VAL	ILE	ILE	(chain q and resid 11 through 89)	q	IA	11 - 89	11 - 89
18	2	VAL	VAL	ILE	ILE	(chain r and resid 11 through 89)	r	JA	11 - 89	11 - 89

NCS ensembles :

ID
1
2

Components

#1: Protein

A B C D E F G H I J K L M N O P Q R
Plasmid stabilization system

Details:

Mass: 11949.514 Da / Num. of mol.: 18
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mesorhizobium opportunistum (strain LMG 24607 / HAMBI 3007 / WSM2075) (bacteria)
Strain: LMG 24607 / HAMBI 3007 / WSM2075 / Gene: Mesop_5171 / Production host: Escherichia coli (E. coli) / References: UniProt: F7Y4W0

#2: Protein

a b c d e f g h i j k l m n o p q r
Putative addiction module antidote protein, CopG/Arc/MetJ family chimera

Details:

Mass: 10272.750 Da / Num. of mol.: 18
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mesorhizobium opportunistum (strain LMG 24607 / HAMBI 3007 / WSM2075) (bacteria)
Strain: LMG 24607 / HAMBI 3007 / WSM2075 / Gene: Mesop_5599, Mesop_5170 / Production host: Escherichia coli (E. coli) / References: UniProt: F7YBW8, UniProt: F7Y4V9

#3: Chemical

A-101 A-102 B-101 C-101 C-102 D-101 D-102 E-101 L-101 M-101
ChemComp-P4G / 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE

Details:

Mass: 162.227 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₈H₁₈O₃

• Has ligand of interest: N

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 3.11 ų/Da / Density % sol: 60.44 %
• Crystal grow: Temperature: 291 K / Method: vapor diffusion, hanging drop; Details: 0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate pH 5.5, 24% v/v polyethylene glycol 400

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
• Detector: Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Jul 25, 2019
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.97918 Å / Relative weight: 1
• Reflection: Resolution: 2.9→30 Å / Num. obs: 105559 / % possible obs: 99 % / Redundancy: 4.9 % / R_merge(I) obs: 0.117 / R_pim(I) all: 0.059 / R_rim(I) all: 0.131 / Χ²: 1.189 / Net I/σ(I): 5.1 / Num. measured all: 514447

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	Rmerge(I) obs	Num. unique obs	CC1/2	Rpim(I) all	Rrim(I) all	Χ2	% possible all
2.9-2.95	3.8	0.918	4930	0.727	0.5	1.051	0.641	91.7
2.95-3	4.4	0.912	5182	0.754	0.475	1.032	0.645	97.5
3-3.06	4.9	0.937	5310	0.761	0.469	1.05	0.652	99.8
3.06-3.12	5.1	0.825	5303	0.838	0.403	0.92	0.685	99.9
3.12-3.19	5.2	0.728	5364	0.86	0.354	0.812	0.71	99.9
3.19-3.27	5.1	0.619	5333	0.876	0.302	0.691	0.751	99.8
3.27-3.35	5	0.501	5292	0.9	0.25	0.561	0.817	99.8
3.35-3.44	4.5	0.385	5298	0.924	0.202	0.436	0.916	99.5
3.44-3.54	4.7	0.343	5346	0.932	0.174	0.386	0.942	99.3
3.54-3.65	5.5	0.292	5265	0.962	0.138	0.323	1.02	99.6
3.65-3.78	5.5	0.234	5294	0.97	0.111	0.26	1.152	99.5
3.78-3.93	5.3	0.199	5289	0.974	0.096	0.222	1.222	99
3.93-4.11	5.2	0.174	5254	0.977	0.086	0.195	1.303	99.1
4.11-4.33	5	0.146	5306	0.983	0.074	0.165	1.43	99.2
4.33-4.6	4.7	0.12	5287	0.987	0.063	0.136	1.542	99.3
4.6-4.95	4.4	0.101	5249	0.989	0.056	0.116	1.656	98.5
4.95-5.45	4.3	0.091	5305	0.991	0.052	0.105	1.579	99.1
5.45-6.23	5.3	0.096	5319	0.994	0.048	0.108	1.413	99.9
6.23-7.83	4.9	0.066	5325	0.995	0.035	0.075	1.777	99.8
7.83-30	4.6	0.053	5308	0.997	0.027	0.06	2.986	99.5

Phasing

• Phasing: Method: molecular replacement

Processing

Software

Name	Version	Classification
SCALEPACK		data scaling
PHASER		phasing
PHENIX	1.17.1_3660	refinement
PDB_EXTRACT	3.25	data extraction

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: 6X09

6x09
PDB Unreleased entry

Resolution: 2.9→29.81 Å / SU ML: 0.47 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 35.17 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.2816	1998	1.9 %
Rwork	0.2549	103338	-
obs	0.2554	105336	98.71 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
• Displacement parameters: B_iso max: 353.26 Ų / B_iso mean: 133.0522 Ų / B_iso min: 50.44 Ų

Refinement step

Cycle: final / Resolution: 2.9→29.81 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	24667	0	290	0	24957
Biso mean	-	-	102.21	-	-
Num. residues	-	-	-	-	3158

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Rms	Type
1	1	A	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	2	B	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	3	C	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	4	D	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	5	E	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	6	F	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	7	G	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	8	H	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	9	I	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	10	J	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	11	K	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	12	L	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	13	M	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	14	N	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	15	O	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	16	P	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	17	Q	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
1	18	R	7600	X-RAY DIFFRACTION	11.394	TORSIONAL
2	1	a	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	2	b	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	3	c	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	4	d	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	5	e	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	6	f	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	7	g	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	8	h	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	9	i	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	10	j	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	11	k	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	12	l	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	13	m	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	14	n	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	15	o	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	16	p	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	17	q	7191	X-RAY DIFFRACTION	11.394	TORSIONAL
2	18	r	7191	X-RAY DIFFRACTION	11.394	TORSIONAL

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 14

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Num. reflection all	% reflection obs (%)
2.9-2.97	0.4072	130	0.3762	6865	6995	91
2.97-3.05	0.3574	142	0.3584	7379	7521	99
3.05-3.14	0.3583	138	0.3596	7487	7625	100
3.14-3.24	0.357	146	0.3502	7415	7561	100
3.24-3.36	0.3094	139	0.3283	7470	7609	100
3.36-3.49	0.3013	149	0.3281	7374	7523	99
3.49-3.65	0.331	142	0.3055	7469	7611	100
3.65-3.85	0.3265	142	0.2746	7440	7582	99
3.85-4.09	0.2642	148	0.2638	7411	7559	99
4.09-4.4	0.2652	141	0.2495	7353	7494	99
4.4-4.84	0.2346	152	0.2311	7394	7546	99
4.84-5.54	0.2896	141	0.2346	7400	7541	99
5.54-6.96	0.32	144	0.268	7483	7627	100
6.96-29.81	0.2265	144	0.1834	7398	7542	99

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°2)	L12 (°2)	L13 (°2)	L22 (°2)	L23 (°2)	L33 (°2)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å2)	T12 (Å2)	T13 (Å2)	T22 (Å2)	T23 (Å2)	T33 (Å2)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	3.4963	-5.3476	-1.7145	5.1162	0.3427	0.5194	0.6196	0.2652	-0.7299	0.083	-0.5017	0.3271	0.1163	0.1684	-0.005	0.7168	-0.0063	-0.0056	0.8244	-0.1271	0.591	32.3327	-56.8292	22.6495
2	2.551	-9.1393	-3.0346	2.5066	7.8883	9.3519	-0.1072	-0.2561	1.3773	0.0027	1.2492	-2.7781	0.012	1.2406	-0.7951	0.8199	-0.1439	0.0426	0.811	-0.0846	0.7822	40.7184	-50.6777	23.3228
3	2.1634	5.0247	1.7906	4.7055	3.9743	2.2643	-0.6599	-0.4684	0.5549	-0.0696	0.8802	0.1526	-2.609	-0.7636	-0.1353	1.167	0.0835	0.0283	0.6865	0.0463	0.7964	30.8609	-35.3133	20.0789
4	7.1641	-5.3917	-3.8472	7.8883	6.6174	7.5179	-0.4573	-0.4135	-0.1305	0.0165	0.1279	0.4438	-0.9351	0.5592	0.548	0.8648	-0.0241	-0.0687	0.732	0.0744	0.4038	28.1458	-41.678	19.7647
5	1.163	0.6687	4.0291	7.9143	4.2109	2.2012	0.2004	0.1718	-0.1775	-0.699	-0.2344	0.0642	-0.4985	0.0805	0.1271	0.6527	-0.0887	-0.1055	0.5658	0.0312	0.5522	28.5432	-47.3427	15.0301
6	3.5579	-0.03	2.481	3.059	-3.953	2.7388	-0.192	-0.4129	-0.0905	-0.5113	0.1525	-0.7709	0.4495	-0.3997	-0.1383	0.9261	0.1041	0.0912	0.7902	-0.109	0.4951	35.4387	-26.4086	-42.4915
7	2.9295	7.2137	-3.5849	6.6957	-6.6058	2.938	0.8485	-1.2989	1.9538	0.2494	-0.509	2.1364	-1.1688	-0.6972	-0.6431	0.9486	0.1491	0.1104	0.946	-0.041	0.8067	26.5045	-21.5295	-40.848
8	4.719	-2.0873	-2.7154	10.2641	-1.6043	2.1181	-0.078	-1.2609	0.0017	0.5004	0.4072	0.6117	2.0342	-2.3191	-0.3019	0.9968	-0.2511	-0.163	1.2517	0.017	0.7388	18.8181	-39.1182	-45.5223
9	4.0818	1.0695	-0.1687	6.1026	0.7151	3.7156	0.056	0.4155	0.0061	-0.1149	-0.2385	-0.0164	-0.0505	-1.6986	0.1278	0.8133	-0.0072	-0.071	0.9659	-0.0147	0.4866	25.5513	-34.2991	-46.9352
10	5.0955	0.159	-0.4885	3.9435	0.1271	3.5067	0.5083	0.474	0.0013	0.6208	-0.3421	-0.0202	0.1994	-0.9097	-0.1956	1.0258	-0.2502	-0.041	0.5837	0.0085	0.3753	33.2062	27.0365	23.0497
11	4.9518	-5.4396	-1.2567	7.9581	2.7363	6.3695	-0.0879	-0.158	0.7716	1.5444	0.5593	-1.542	0.1953	0.8365	-0.3777	0.9018	-0.1717	-0.124	0.8167	-0.0128	0.6632	41.0213	33.082	22.866
12	3.432	0.5631	0.6344	5.6336	0.7096	4.9737	0.2117	0.0723	0.3704	0.0136	0.0949	-0.0265	-0.6771	-0.336	-0.0692	0.9527	-0.0251	0.0576	0.6242	0.0336	0.4233	28.2888	40.2223	18.1556
13	4.3095	6.0429	4.6557	1.9741	5.4236	5.6699	0.0211	1.7352	0.0211	0.9945	0.0084	-0.237	-0.6099	-1.3072	0.4807	0.8715	0.1903	-0.131	0.8122	-0.1433	1.1463	36.2709	63.1043	12.4637
14	6.2464	4.5127	-0.4565	2.1235	7.5184	7.0438	0.0472	0.7431	-0.2007	-0.7828	0.7015	-1.6212	-1.1806	0.5118	-0.8881	0.8389	-0.1784	-0.0722	0.7226	0.0077	0.5754	44.7698	52.2845	1.784
15	9.5072	-5.0154	-2.3404	4.7127	2.2267	5.507	0.0198	-0.3998	-1.0062	0.9626	-0.3297	1.0209	0.3318	-0.0807	0.1469	0.8893	-0.1613	-0.0355	0.7003	0.1461	0.5668	40.0864	48.5191	12.1518
16	1.9857	-2.7147	-7.3275	2.0299	-4.4915	7.6229	0.4694	-2.3829	0.2615	3.3347	-0.8535	0.7524	0.5544	-1.337	0.7833	1.6125	-0.4217	0.3035	1.1865	-0.1642	0.6926	40.3852	57.8645	26.7512
17	5.6618	2.5912	1.4722	3.2017	-1.0046	5.2061	0.6816	-1.6952	0.9894	0.6093	-1.2575	-0.2321	-1.8326	0.2089	0.655	1.4418	-0.3565	-0.3168	0.8801	-0.0581	0.7955	52.1187	62.6479	23.0548
18	5.507	0.372	1.2686	3.3927	0.375	5.5692	-0.4821	-1.1516	0.3763	-0.0161	0.335	-0.5056	-0.2526	-0.2762	0.6411	1.0005	-0.3207	-0.179	1.03	0.045	0.5848	50.7144	60.008	18.5431
19	9.1605	5.1183	1.2631	8.4597	8.1915	2.6316	1.3044	-1.1808	-0.7555	-1.3552	-1.1213	1.7208	-1.1758	-1.2625	0.4196	1.1344	-0.1344	0.0022	0.9218	0.0775	0.5967	44.2968	62.6116	17.4134
20	7.9839	-7.323	0.9614	2.6451	-3.5265	5.3196	1.1732	-1.0983	0.3769	-0.5978	0.2255	-0.5619	-0.8801	0.0728	-1.4134	0.8096	-0.2069	-0.1071	0.7484	-0.1525	0.7929	44.0125	62.0971	13.1246
21	8.5045	-1.0098	-6.3425	8.6061	4.1792	1.9734	0.6484	-1.7189	-0.3722	2.2564	-0.5881	0.791	2.9416	-0.2544	0.3391	1.1471	-0.3827	0.0352	1.5012	-0.0039	0.7049	64.1531	52.2812	11.4328
22	9.3708	-1.6131	6.7667	3.5693	-5.4447	1.9939	0.1617	1.3681	0.2853	-0.4455	-1.6263	0.5388	1.15	0.3435	1.3987	0.9766	0.0571	0.1398	0.2996	-0.0974	1.2862	39.0067	-20.4375	12.5046
23	9.5545	3.6376	1.2449	2.0634	9.5145	7.0073	0.0119	-0.1905	-0.177	-0.6869	-0.0031	-1.6519	-1.0468	0.5369	0.1652	0.8961	-0.1226	0.0955	0.7587	0.0958	0.5954	46.8546	-31.8332	2.1516
24	7.5848	-8.6644	-5.6278	2.1272	1.8334	2.1722	0.0826	-0.4278	-0.4223	0.6741	-0.2068	0.8768	0.4551	0.5817	0.5627	1.0972	-0.2203	0.001	0.8509	0.1149	0.5765	41.5154	-35.1164	12.406
25	1.8793	1.0154	0.6367	2.245	0.0821	5.7919	0.459	-1.8141	1.2725	2.3108	-0.0491	-0.214	-0.2501	0.9858	-0.1686	1.5961	-0.3497	-0.0355	0.8898	-0.1536	1.0163	50.6661	-21.7161	23.4475
26	9.0461	-2.3049	-4.0484	3.238	2.1011	2.0777	0.6429	-1.99	-0.1164	-0.2121	0.3881	-0.8578	-0.2793	0.0178	-0.3922	1.0409	-0.1439	-0.1632	0.851	0.0505	0.5969	51.2892	-28.6929	18.6264
27	4.5016	0.2531	1.0929	5.8072	1.9804	3.6969	0.3379	-0.1927	-0.7935	0.626	-0.8216	1.4211	-1.3327	-0.4486	-0.1024	1.1804	-0.2657	-0.0282	0.9246	0.0462	0.7971	46.7408	-21.4269	17.6587
28	2.6567	-4.0957	1.6385	2.3847	-2.8237	4.3427	1.2399	-1.3189	1.0248	1.3727	0.3987	-1.6875	-1.4038	-1.1737	-0.5525	1.0605	-0.1697	0.0741	0.7191	-0.0586	1.0206	46.7124	-21.813	13.5157
29	4.1426	-5.2733	-1.4895	8.3045	4.5309	4.846	-1.3564	0.2061	-0.4034	0.6829	0.8194	-0.1647	0.9346	0.9475	0.1619	1.0287	-0.1414	0.1355	1.3443	-0.0232	1.3993	65.929	-33.3133	12.5022
30	6.2299	-1.2875	0.5493	8.1786	0.4662	-0.1383	-0.3011	0.3894	-0.0896	1.3891	0.3322	0.3406	0.9772	-0.159	-0.0085	0.7558	-0.0415	-0.0448	0.6464	0.0294	0.3854	39.7422	15.4717	0.5391
31	2.3048	-5.2797	-2.9896	7.545	7.4556	8.3363	0.7422	0.6795	1.3971	-0.9529	-0.1057	-2.0736	-1.4773	0.3826	-0.7646	0.9144	-0.2006	0.0624	0.7641	0.1633	0.8122	48.4997	20.6494	-1.3441
32	2.4079	2.6085	-6.9649	9.1808	-4.4193	8.7193	-0.0087	0.2286	-0.0285	0.0992	0.3737	-1.9858	1.3845	1.4048	-0.0556	0.815	0.073	-0.1913	1.0786	-0.0218	0.9798	58.8976	5.4562	1.9338
33	8.8987	-3.1233	-1.6202	5.6171	2.1165	2.8626	-0.1361	0.1401	-0.3636	0.0182	-0.4179	0.2744	0.3146	0.9647	0.4475	0.7388	0.0525	-0.0826	0.6627	-0.0072	0.4814	50.1391	6.8645	5.169
34	9.2348	-0.6063	1.3314	1.5562	0.5765	-0.1429	0.2567	0.197	0.3652	-0.6706	0.0693	-0.0335	0.2566	0.046	-0.43	0.8152	0.0179	-0.02	0.5979	-0.0287	0.4386	70.6389	0.936	65.8531
35	2.3167	2.0131	8.0064	6.3352	-0.4339	7.0096	0.5779	0.8677	-1.5687	-0.2002	-0.0397	0.108	1.5626	0.2474	-0.2356	1.2809	0.0114	0.0708	0.7443	-0.1004	0.5525	69.8124	-9.3586	64.2115
36	5.4959	-4.4148	-7.3623	4.3836	6.1647	2.1508	0.3074	-0.0561	-1.1066	-0.5286	0.1893	0.5734	0.0182	-2.3853	0.5207	0.9221	-0.2708	-0.1102	1.1908	0.0588	0.9362	51.3442	-9.2445	67.3653
37	4.92	0.7074	-2.6275	5.1668	-3.0624	5.3178	-0.0077	-0.0357	0.0823	-0.1147	-0.0476	0.2247	0.4091	-1.1817	0.0448	0.6469	0.02	-0.0646	0.9672	-0.035	0.4962	57.6492	-2.51	70.4687
38	9.0786	3.9211	3.2836	7.8688	-6.0757	9.9987	-1.1165	-0.897	-0.0709	-0.1213	-1.08	0.0865	1.0172	1.0045	1.5437	0.5628	0.1426	0.1359	0.8902	-0.0567	0.8499	-0.2209	-41.8999	10.7003
39	7.1077	-5.4728	-3.2641	1.9527	1.8086	6.072	0.0906	-0.9055	-0.0443	-0.2408	-0.028	-0.051	0.0409	1.2222	0.1839	0.6437	0.0053	0.081	0.94	0.0937	0.6853	-5.5859	-29.3275	21.4294
40	3.9244	-5.061	-1.8404	9.1217	7.6679	2.39	0.0055	1.8617	-0.3619	-0.7042	-0.9887	1.068	-1.1506	-1.6918	1.6788	0.6616	-0.0091	-0.0786	1.2303	0.1111	0.7979	-11.2999	-31.8013	11.2169
41	6.6125	0.0406	-4.7829	8.4913	2.2166	7.2157	0.0804	1.4739	0.3201	-2.1067	0.0581	-0.9207	-0.3816	-0.4068	-0.0863	0.7786	0.0596	0.2034	1.5209	0.1852	0.784	4.6202	-30.9278	0.0054
42	4.686	1.5224	1.9795	0.4573	-0.1352	7.2835	-0.1737	-0.5254	0.1938	-0.1471	0.9263	0.1682	0.3432	0.9822	-0.8695	0.7116	-0.0424	0.099	1.3208	0.0992	0.6801	1.4827	-31.4926	5.4203
43	3.1617	-4.6062	-0.8548	2.0451	7.0818	2.0904	-0.549	0.2117	0.2588	0.4744	0.9368	-0.0576	0.7044	0.2179	-0.2642	0.8277	0.033	0.1976	0.8598	0.1477	0.7069	2.4372	-34.5991	9.9813
44	6.8793	-4.6834	3.0667	5.2087	1.81	9.1586	0.0911	0.4487	-0.2378	0.6198	-2.2924	-0.9186	-0.6402	-2.0368	1.4849	1.3436	-0.552	-0.0975	1.4721	0.0843	0.8408	3.408	-12.1605	11.65
45	8.5256	3.409	-2.7287	6.1484	1.7215	5.2628	-1.8647	0.7066	-0.6771	-0.6748	1.3568	-1.0349	2.2505	-0.4635	0.6069	2.2654	0.197	0.0994	1.2866	0.0911	1.0029	70.2629	19.508	21.5349
46	6.4165	2.5201	-3.6602	4.7741	0.8923	3.9533	-2.7084	2.4179	-0.9501	-2.9033	0.4175	0.3516	3.1075	-1.5181	0.8848	3.3589	-0.8111	0.0118	1.9601	0.1946	1.1934	62.1717	19.4418	12.7672
47	6.4834	0.8397	-0.9005	7.1882	2.0989	2.7275	-1.139	1.9175	-0.7578	-4.1712	1.0635	-0.5599	0.84	-0.9239	0.2032	3.1183	-0.5767	0.2606	1.699	-0.0084	1.0805	75.4903	24.4059	6.0093
48	6.2442	-0.6112	-0.7647	2.3634	-0.9539	6.5137	-0.5197	0.1848	0.9246	-0.1168	-0.2485	-1.2917	-0.446	-0.6463	-0.2049	1.3091	0.4916	-0.1867	1.1516	-0.1571	1.1862	7.2626	-5.2036	-76.0673
49	7.3464	-0.3845	-0.7965	3.0329	-2.0322	7.1173	0.1595	-0.1277	0.2272	-0.4897	-0.7005	-0.4628	-1.172	0.3429	0.1303	1.2576	0.1432	-0.173	1.0682	-0.1221	1.6283	19.5117	-2.5722	-77.4458
50	7.9131	-0.9105	-0.2891	7.0685	3.0642	2.1554	-0.1085	0.9212	1.5368	-0.2407	0.599	-1.0604	0.3289	0.0903	-0.0019	1.2502	0.276	-0.1236	0.9841	0.216	1.4266	17.7115	-6.9656	-86.1101
51	4.7376	2.6988	0.7949	3.1084	-3.3273	8.6293	0.0261	-0.9581	1.7849	-0.314	-0.4959	-0.5721	0.8858	1.188	-0.2982	1.6685	0.1694	-0.3398	0.8833	-0.1943	1.6815	18.8953	-24.5933	-75.3985
52	6.0197	-1.1462	1.513	6.9619	-0.9429	4.4562	-0.5436	0.0724	-0.1633	0.3363	0.4084	0.8716	0.3139	-0.3598	0.0688	1.1138	-0.0795	0.1488	0.5927	0.021	0.9282	1.9464	-72.5358	61.7456
53	7.2905	1.7892	-4.5899	4.8122	-0.1427	2.0946	-1.1031	1.6416	0.8623	-2.3002	0.2573	2.6149	-1.032	-1.8201	-0.007	1.1444	-0.101	-0.3605	1.1347	0.0357	1.76	-5.067	-59.4296	48.6095
54	5.5019	0.6494	-2.2265	5.1441	-0.8609	7.3936	0.3481	0.2582	-0.6964	-0.1704	-0.0555	1.2934	1.2408	-1.0418	0.2207	1.2164	-0.1417	-0.2682	0.7182	-0.0042	1.26	-1.8023	-65.9541	51.6215
55	8.9621	4.969	1.0184	6.6066	2.0358	8.2948	0.195	-1.0328	1.3706	0.6042	-0.0955	0.5477	-0.6922	-0.4746	-0.1143	1.1209	0.3869	-0.004	0.8923	0.1349	0.7725	14.4325	-53.7346	57.1519
56	7.76	3.0921	-1.1922	7.6421	-1.5969	4.1847	0.4173	0.0599	0.1887	-0.757	0.024	0.3672	0.4994	-0.7207	-0.5185	1.2023	0.194	-0.0966	0.8698	-0.0667	0.4516	38.2774	-12.6823	-64.7983
57	3.2001	1.3932	-1.2239	6.4902	-1.2042	7.4883	0.1646	-0.0042	0.4195	-0.1307	-0.1422	0.1342	-1.0612	1.0112	0.0674	1.047	0.041	-0.043	0.7333	-0.0207	0.4764	46.2355	-1.3602	-60.0483
58	5.9975	3.7074	1.0529	4.9417	0.5735	2.4423	-0.5424	0.0604	-0.3911	0.4933	0.4361	-0.5307	0.164	1.9122	0.1069	0.7135	-0.1248	0.0797	0.883	0.1525	1.1757	62.9145	-42.8221	-4.7077
59	2.7926	0.9808	-0.7089	8.5079	6.4114	6.8042	0.0526	-0.2431	-0.5218	1.3608	-0.54	0.117	0.9632	1.1517	0.6649	0.9487	-0.0854	-0.1248	1.117	0.1455	1.7033	62.0505	-51.6038	1.1124
60	7.6551	-9.5527	0.1436	2.1381	-5.9851	8.1158	-0.1338	2.8206	-4.2761	-1.0079	-0.5444	0.4272	1.4948	0.11	0.5962	1.0654	-0.3301	0.0779	1.4468	-0.3827	2.2182	54.8169	-60.0288	-14.5491
61	8.2184	2.7995	2.296	2.2581	9.4735	2.0796	-0.0928	1.3756	-2.1981	0.4057	0.2078	-0.996	0.4632	-0.8607	-0.7172	1.0457	-0.1199	0.0152	0.9878	-0.1335	1.4313	54.09	-55.3229	-10.2638
62	2.2422	1.9456	-8.292	2.0845	7.2671	8.4919	-0.0737	-0.4207	0.1245	-0.9579	0.7521	-1.3195	0.405	2.484	-1.3333	1.1258	0.2181	0.0113	1.2101	-0.3901	1.54	59.8212	-55.5149	-14.2065
63	3.3218	-4.7483	-1.3222	9.2197	0.3189	2.835	-0.4933	3.6717	-1.1224	-0.7769	-0.5842	-1.6809	1.0476	0.1421	1.2582	0.7807	0.0448	0.3087	1.6708	-0.3926	1.2982	61.1614	-51.5633	-13.3146
64	2.0254	-4.4234	-8.3754	2.0178	-1.8723	2.012	-1.0291	-2.2493	-0.1795	-0.778	1.1496	0.4831	2.2843	-0.9994	-0.1444	1.3199	-0.1357	-0.1502	1.1554	0.0423	0.6723	40.5782	-44.3958	-7.5901
65	3.3258	0.789	1.7589	4.2569	1.3938	5.2959	0.1041	0.4251	0.8809	-0.1853	-0.1582	1.1078	-0.9602	0.2178	0.3455	1.5622	-0.351	-0.2221	1.1604	0.0692	1.3344	63.1904	39.9969	32.3609
66	8.9953	0.3785	-2.914	2.3309	-4.793	2.1354	0.4228	-1.0593	1.1415	1.207	-0.4015	0.4987	0.1196	-0.6621	0.3645	1.6973	-0.3225	0.1559	0.9669	-0.2667	1.8601	53.7101	35.8247	45.043
67	3.1018	-0.4044	0.8991	2.2351	0.1994	6.7413	0.6945	-0.9987	0.1866	-0.574	0.3446	0.5241	-0.0034	-0.1668	-1.2604	1.7491	-0.2555	0.0216	0.9017	-0.1725	1.2863	59.3487	30.4582	39.9377
68	5.3904	0.5717	-1.6195	5.4605	-3.66	2.8553	-0.186	0.1738	-0.5134	-0.5955	-0.1779	-0.2295	0.4434	-1.4053	0.5359	0.7118	0.1181	-0.0546	1.098	-0.0202	1.0517	11.5119	-1.225	-35.8367
69	5.3417	3.5936	-0.6797	3.6991	-1.1779	2.7224	0.2449	0.2176	-1.5842	-0.9381	-0.6448	-0.5327	1.2291	0.3755	0.339	1.0975	0.296	-0.0634	0.8754	-0.1121	1.3956	14.432	-13.212	-36.6299
70	3.6214	-0.9717	1.3848	7.8235	1.6776	3.8194	-0.019	-0.611	-1.2421	0.949	0.0807	0.9261	0.2153	-0.5177	0.014	0.6794	0.0567	-0.0244	0.9367	0.1735	0.9457	19.4168	-10.3395	-28.3718
71	4.7982	0.5414	-2.2799	2.6628	2.1324	3.4088	-3.009	0.7782	-1.0483	-2.4249	2.2004	0.9359	2.9016	0.2791	0.5365	3.5291	-0.473	0.1142	1.8172	0.2913	1.2858	65.4694	-67.4709	17.2231
72	3.4814	1.8032	0.7789	4.4196	1.4789	3.1531	-0.9316	2.2049	-2.5357	-1.8278	0.7143	-0.4249	0.2118	-0.0786	0.207	3.2209	-0.7356	0.494	2.2064	-0.043	1.62	76.9814	-62.4716	1.6191
73	4.9832	1.5612	1.2755	4.4266	1.3315	2.939	-1.0626	1.0795	-0.5287	-3.7127	1.5176	-1.0623	0.0592	-0.384	0.2172	3.0591	-0.3941	0.3063	1.6295	-0.0455	1.1912	74.5924	-62.5411	9.7449
74	6.0434	-2.9632	-1.6621	5.0034	-0.6977	3.1613	-1.5602	-1.6264	-0.5161	1.9506	1.3448	0.1313	1.6711	0.3478	0.3447	2.2664	0.3348	-0.0921	1.3557	0.0668	1.011	5.8734	-23.0662	-54.2625
75	2.9388	6.2176	-4.3912	2.1345	-6.5214	5.2211	-1.0478	-1.5083	-2.01	2.0275	-0.5328	-1.7297	-0.0931	1.3837	0.9559	2.231	0.4105	0.1202	2.2228	0.2315	1.1828	0.4056	-21.3431	-47.6816
76	9.3589	3.2637	-4.5285	6.3719	0.1015	2.6448	-0.5	-1.4173	-0.6183	-0.1318	-0.9804	-0.0985	1.0363	0.1048	1.9112	1.7936	0.2255	-0.1851	1.2551	0.0184	0.9121	-0.9478	-16.9347	-53.7281
77	4.4918	-0.742	-4.8885	3.6175	0.2949	6.6237	-0.2743	0.1454	0.7059	0.1691	-0.2781	-1.3262	1.2787	-0.4561	0.272	1.6019	0.3336	0.2152	1.0505	0.1827	1.4738	73.7757	-33.4665	99.8748
78	1.5456	-3.0567	-1.4859	7.4657	1.2778	8.3991	-0.2461	-0.8249	0.5472	0.0169	0.6208	-2.3028	-0.4689	0.8177	-0.2808	1.3144	0.2901	-0.0477	1.2511	-0.0328	2.3229	80.731	-22.7827	103.2322
79	5.9902	-0.5894	-4.8517	3.8336	3.1701	5.7701	0.8706	-0.2466	0.0994	0.9768	-0.0092	-0.8573	0.7342	1.3224	-1.1983	1.6491	0.2979	-0.1899	1.156	0.1451	1.9447	75.1204	-23.0964	107.598
80	7.172	-1.5423	-5.0092	10.0744	2.687	6.2637	1.1042	1.1148	-0.4561	-1.2485	-0.518	0.5819	0.303	-1.0396	-0.2498	1.0204	0.0403	-0.3253	1.1277	0.191	0.5869	23.2678	-42.9034	-24.8666
81	0.9406	0.7008	-2.4816	-0.292	-0.7925	3.0528	-0.403	0.312	-0.1993	0.0125	-0.0779	-0.1376	0.7265	-1.1807	0.8019	0.897	-0.0326	-0.0119	1.0179	-0.0172	0.4859	22.8926	-48.6153	1.6293
82	2.2179	-0.7823	0.0883	9.9825	8.0821	6.9656	-0.5969	1.4288	-0.6584	2.4934	1.5916	0.8123	1.1343	3.0028	-0.6083	1.3369	0.1349	-0.3398	1.3618	-0.0111	0.7909	35.1846	-64.5334	27.1119
83	2.7325	3.6332	2.2099	6.0105	-0.4913	2.9885	-0.4192	1.3572	-0.8831	0.2618	0.5731	-0.6106	0.0597	1.4544	-0.4688	1.3553	0.0853	-0.1933	0.9865	-0.1693	0.7256	26.4684	-41.5479	-90.0219
84	-1.3904	-1.1467	1.3941	-1.2718	-1.2858	6.1615	-0.5252	0.2558	-0.0285	-0.1334	-0.405	-0.2168	0.2755	-0.9474	0.3926	1.7405	-0.1118	-0.0313	1.1574	-0.059	0.6591	31.1938	-38.9023	-69.0912
85	2.534	2.4878	-3.6285	3.1057	-3.8506	5.672	0.3909	-0.683	0.2196	0.0094	-0.3431	-0.2381	-0.3337	0.0663	-0.0869	0.8955	0.1184	-0.0449	0.9756	-0.1065	0.4802	38.922	-25.882	-37.2171
86	2.5453	-0.5909	-1.2128	5.399	-1.6766	2.8528	-0.0748	0.119	-0.6049	-0.6319	0.3667	0.7192	0.763	-1.0124	-0.0709	0.8947	0.0241	-0.19	1.1679	0.0039	0.6919	23.3517	37.2939	-25.125
87	0.7117	1.1325	-0.7076	0.3901	-3.5047	2.5059	-0.0644	0.3205	-0.1622	-0.0344	-0.2374	0.3232	0.6264	-2.8159	-0.1342	0.88	0.1624	0.0063	1.0874	-0.0377	0.522	20.9926	33.9708	-0.8769
88	9.2385	-2.1801	0.114	3.633	4.505	5.0959	0.4583	0.5551	-0.448	1.5128	-0.0004	-0.098	0.7408	0.815	-0.3103	1.1413	-0.2067	-0.0684	1.1342	0.1374	0.5272	32.9576	22.8962	27.9723
89	3.1216	-2.7837	3.2379	3.7284	-1.0836	7.8557	-0.7594	-0.9732	0.9329	0.0577	0.381	-0.2454	-0.2469	-0.5268	1.3901	1.7142	-0.4354	-0.4204	2.0971	-0.6388	2.8852	90.8637	65.8675	13.7824
90	8.8221	-5.9004	1.9473	6.7534	5.4261	1.9936	-0.399	-0.2489	0.3297	0.137	-0.239	-0.869	0.0292	-0.5257	1.2737	1.5509	-0.1601	0.1187	2.2802	0.2753	2.5692	95.1266	49.605	14.4959
91	3.7445	-0.3299	-1.1797	1.0444	0.7015	3.5579	0.5233	-0.7675	1.7228	-0.8301	-0.0282	-1.75	-0.6173	1.6841	-0.1836	1.3165	-0.5462	0.0979	1.6529	0.1075	1.5909	71.1423	60.6372	9.0641
92	3.3146	-0.0368	-0.5521	2.0981	2.0094	4.7193	0.4817	0.6995	-0.362	-0.4554	-1.2691	0.0058	-2.284	-2.905	0.5263	1.1623	-0.0666	-0.0487	0.9274	0.0156	0.7613	37.086	55.2968	0.931
93	2.3682	-0.5801	-3.7681	0.8818	0.3628	6.5696	-1.2114	-4.0186	1.4602	-0.4634	1.3084	-0.2945	2.2782	3.0374	-0.357	1.3416	-0.0954	0.0253	3.5046	0.0689	2.7746	96.3943	-38.1558	16.1275
94	1.6987	-0.583	-1.8455	-0.0196	-1.0925	2.2074	0.4707	-0.1049	0.4017	-0.7419	-0.1948	-2.0068	-0.5369	1.3083	0.2062	1.1321	-0.5276	0.0596	1.4488	-0.2245	2.1332	73.6437	-25.8665	10.0368
95	2.9342	-0.3857	-1.4898	2.6229	-0.9865	3.3122	-0.3133	0.2695	-0.5143	-0.955	-0.7022	-0.192	-1.8594	-1.3637	-0.0144	1.1483	-0.1234	0.0073	1.047	-0.0033	0.837	39.3751	-28.2825	1.0859
96	3.8699	-0.661	1.0489	2.2393	-1.0575	2.6919	-0.3849	-0.5141	0.3729	0.0596	-0.0036	0.5135	-0.2694	-0.6869	0.4149	1.2852	0.0839	-0.2001	1.0473	-0.0264	0.7497	50.8564	2.5703	48.8693
97	-0.2635	0.8107	2.2528	-0.3824	-2.6409	2.5233	-0.5198	-0.062	0.2238	0.0784	-0.5345	0.4118	0.658	-0.183	0.1928	1.171	0.0438	-0.0749	1.0031	-0.0864	0.6523	44.8231	2.0116	24.4548
98	4.4404	1.3947	-0.7026	0.8232	0.2163	9.787	0.235	-0.1052	0.0426	0.3955	-0.3709	0.344	0.3869	-0.9052	0.3524	0.8419	0.0458	0.0816	1.0673	-0.0372	0.6077	41.1941	5.7535	-6.5967
99	2.1787	1.6999	1.957	2.3238	6.4667	2.2249	0.7504	0.1086	-1.4648	-0.5168	-0.9432	1.2444	-2.1683	1.2907	0.0476	1.0535	-0.1153	-0.001	0.9437	0.2392	0.734	33.4734	21.0986	-3.5965
100	3.5573	0.8313	-2.1009	4.7511	-3.2253	5.321	0.3761	-0.2611	0.8731	-0.176	-0.4899	-0.4747	-0.3291	0.6245	0.3166	1.1275	0.0704	0.1359	1.3789	0.0141	1.0139	53.9825	0.8081	113.7868
101	0.6612	-0.968	-3.8886	0.8013	-2.0905	6.9157	-0.4069	-0.4392	0.0839	0.5554	-0.1906	-0.2027	-1.7717	-0.9058	0.1679	1.0014	-0.0225	-0.0524	1.2402	-0.0284	0.6198	56.7565	5.1314	89.5589
102	2.4745	-0.8062	4.759	3.6495	0.6677	2.7425	-0.5208	0.4058	0.35	-0.4112	0.4264	-0.2804	0.2791	0.3227	0.4721	1.0284	-0.0201	0.1339	0.9032	-0.0314	0.5856	72.9398	3.564	60.5564
103	4.9683	-1.0979	2.2487	1.885	-2.2532	2.7635	-1.3837	-0.1562	2.4037	-2.0427	-0.3566	-1.1911	-2.4997	0.5439	1.427	2.2034	-0.3749	-0.3033	1.2005	0.132	2.3794	15.2162	15.6519	8.1736
104	0.3412	1.2705	1.5299	4.3356	0.0108	2.3475	-0.4351	-0.2595	0.8793	1.7567	0.7188	-2.5115	-0.8469	1.4824	-0.0673	1.051	-0.4618	0.0356	1.7715	-0.0822	1.8919	13.6767	-9.597	14.0779
105	1.9038	-0.9951	-2.0137	4.4926	1.2828	3.2163	-1.0106	-0.6204	0.0624	1.2095	0.2596	0.1128	2.1004	1.1982	0.2778	0.7862	0.1289	-0.0516	0.9911	-0.0677	0.7669	-6.5551	-37.6254	22.3875
106	6.2791	-1.6012	-1.1843	9.4074	-2.394	3.8914	0.2297	-0.5496	0.9628	0.0243	-0.869	-2.6057	-0.1772	1.119	0.7282	1.0095	-0.3389	0.0753	1.8027	-0.0209	1.5601	82.7863	51.4987	14.7198
107	7.5586	2.3685	-1.4812	2.2888	0.3922	3.8263	-0.0884	1.5509	0.159	-2.3733	0.6379	-1.6338	1.0947	-0.7161	-0.9592	2.3162	-0.2881	0.2144	1.1076	-0.0833	1.3477	69.674	11.9823	22.0003
108	2.2582	4.0052	1.168	9.2449	-3.497	8.0511	1.3939	0.1858	-2.4893	1.4642	0.0122	-1.2174	1.591	-0.3384	-0.4255	1.5186	0.4237	-0.3338	1.681	0.0883	1.4422	32.5454	-49.2666	-75.4257
109	1.8219	-0.0662	-0.2048	0.9469	1.795	-0.3519	-0.2076	0.0148	0.8503	-0.1819	0.1825	-0.2969	0.2225	-0.2827	-0.0656	1.5121	0.3829	-0.0445	1.1119	0.0942	0.9729	11.893	-17.9195	-80.9461
110	7.9863	-0.3379	1.6323	7.3192	1.3593	6.3988	0.2213	-0.9106	1.3262	0.9521	0.4126	-0.5176	-3.8576	1.7416	-0.2169	1.623	-0.3389	0.1696	1.0884	-0.2498	1.032	27.0753	-29.1251	52.8817
111	1.2572	0.1347	-0.3078	4.1296	-0.5758	2.8021	-0.0042	0.2601	-0.417	0.2501	-0.075	0.3982	0.5468	0.1789	0.1061	0.9375	-0.1131	-0.0461	0.7347	0.0231	0.7009	11.9471	-63.6612	52.4036
112	2.2094	0.6355	-0.7133	4.8476	0.5301	2.9813	0.4405	-0.7801	-0.8692	0.1149	-0.2118	-0.2409	-0.1554	1.9946	0.0037	0.8336	-0.0129	-0.0488	1.1164	-0.2421	0.5231	50.0534	-2.3455	-16.5046
113	-0.2524	0.0022	0.1849	0.4356	2.5061	2.4795	-0.3914	-0.1839	-0.189	-0.1009	-0.277	-0.0079	1.1836	2.2709	-0.0604	0.9429	0.0177	0.0469	1.2352	-0.0107	0.6366	53.635	-6.8457	-41.5786
114	6.6525	2.3963	1.3513	3.0336	-3.755	5.3432	0.312	-0.5869	-0.589	-1.5648	-0.2316	-0.0231	0.4364	-0.6651	-0.2304	1.2679	0.1868	-0.165	1.0364	-0.0682	0.6901	41.5763	-19.2543	-70.028
115	4.3772	-0.6362	-3.3069	8.5839	5.6647	2.3766	-0.0607	0.457	-0.1232	-0.2374	-0.2065	0.8053	0.6482	-2.7097	0.0594	0.8036	0.0103	-0.0419	1.3731	0.0712	0.6709	13.2277	-42.104	-12.285
116	8.9106	0.5295	0.1942	0.2477	-2.0857	0.623	1.2453	-0.3181	-0.0033	-0.7897	-0.2958	-0.1395	-0.9995	0.2823	-0.4236	1.0492	-0.0994	0.0501	1.2709	-0.1589	0.5616	38.5659	-42.6665	-16.8467
117	3.4676	1.2167	1.1751	3.2913	-0.1534	3.6962	0.2041	-0.4367	-1.4919	0.009	-0.1202	-1.3117	-1.1017	0.7011	-0.0088	0.6787	-0.1643	0.0112	1.5284	0.1372	1.4108	69.155	-41.8003	-4.9519
118	7.1588	1.8221	0.7358	6.3913	2.2392	2.0802	0.6156	-0.3142	-0.7308	0.0232	-0.1903	0.2208	0.1479	-0.3918	-0.1533	1.173	-0.2399	-0.0142	0.9087	-0.0163	0.8004	45.5515	-8.129	35.2717
119	3.9949	5.051	2.1844	8.8705	2.2231	2.2636	0.0644	0.2785	0.5939	1.5721	0.4262	-0.1634	-0.4142	0.8382	-0.0861	1.5358	-0.1969	0.0227	0.9193	-0.002	0.7606	58.6077	13.7705	42.4157
120	1.1024	-0.8093	-1.4033	1.6968	-1.6311	2.4749	1.0388	-0.7612	0.6708	0.0858	-0.2909	-0.2718	-0.5469	0.5788	-0.4924	1.8277	-0.3613	-0.1832	0.991	-0.0121	1.8532	71.4888	43.4504	33.5318
121	4.8938	-2.0834	0.7312	4.9833	-6.0057	8.6205	0.1921	-0.1688	-0.3613	-0.312	0.1472	-0.5738	-0.1962	0.7035	-0.5218	0.7518	0.0247	-0.0884	1.6025	-0.1061	0.6142	61.9087	-1.1223	-31.404
122	8.1953	0.8832	-0.3748	1.1506	0.3561	2.5007	1.0313	-0.5921	0.2533	0.427	-0.467	0.4558	-0.3326	0.0341	-0.5096	0.7331	-0.0128	0.055	1.0625	0.0832	0.6142	30.8923	-1.6451	-25.0052
123	2.2786	5.2251	1.0279	2.0104	-0.0932	7.024	-0.7983	0.5836	-0.1154	1.3154	1.7217	2.4385	-0.895	-0.7634	-1.2069	0.7074	0.3064	-0.0849	1.5803	-0.3061	1.6639	5.6591	4.2013	-40.7135
124	2.8751	-3.268	4.6528	3.8672	-4.8659	7.513	1.1218	1.0333	0.8724	0.2005	-1.3804	0.4229	0.0305	1.4899	1.433	1.9877	-0.1251	0.4353	2.7493	0.2768	2.3961	96.0558	-25.7616	16.7237
125	3.758	-3.4668	2.6793	7.6217	-0.0832	2.883	-0.1908	-0.3369	0.9174	0.7991	-0.9144	0.5711	-0.6116	0.4088	1.2043	1.6905	-0.2978	0.0404	2.4989	-0.1285	2.4013	81.2689	-16.1016	13.9551
126	5.4593	1.327	-2.362	1.4631	-2.3373	3.6175	1.3404	-1.3041	1.8638	-0.1718	-0.4378	-0.2776	-2.0539	0.4836	-0.5784	1.9028	-0.501	0.1586	1.8363	-0.6954	2.2394	80.5256	-19.0239	22.8139
127	4.8757	2.8219	-2.3849	6.8383	-5.2874	4.6872	-0.3904	-0.5805	-0.3242	-0.4178	-0.4695	-1.4653	1.4601	0.4884	0.835	1.4731	-0.3454	0.2322	1.8164	-0.1022	1.4599	84.473	-46.1291	16.5132
128	7.3437	2.4065	-3.2931	5.2732	-2.619	6.8138	-2.0151	0.0195	-0.8428	-2.7253	0.3415	-1.1172	2.1306	0.2149	1.6804	3.6538	0.2491	1.28	1.634	0.0348	2.2151	75.947	-75.6878	13.9908
129	8.0168	2.4544	-0.7503	5.4269	-4.9036	7.8692	-0.3713	-0.3291	-0.1382	-3.224	-0.0688	1.7478	1.4018	-1.493	0.9059	2.0628	-0.2056	-0.2906	1.3962	0.1954	1.1495	64.2495	-72.9219	26.9935
130	3.0767	4.9629	2.4311	7.1633	4.0241	4.8226	-0.0937	-0.2824	0.6644	-0.426	-0.9356	1.6081	0.6645	1.2915	0.7696	1.5982	0.5812	0.0834	2.1747	0.2155	2.0512	-10.5147	23.2291	-57.1064
131	0.9787	-2.1197	0.4701	2.833	2.0689	4.8234	-0.4989	-0.1291	0.5038	1.1365	0.6224	-0.1091	0.9645	-0.3973	0.0614	1.1963	0.0683	0.1382	1.4506	0.1526	1.6117	-3.973	-14.0507	-59.6776
132	6.7641	3.6763	2.5707	8.0366	0.3508	5.582	-0.7209	1.3828	1.6784	-0.7826	0.532	0.9833	-1.8191	-0.954	0.6877	1.455	0.1349	-0.0038	1.4675	0.2652	1.3221	48.6147	10.8524	100.4911
133	1.6138	0.779	-1.2712	2.4068	0.7535	0.8672	-0.4571	-0.6067	-0.4028	1.2235	0.4745	-0.8984	0.7477	0.286	0.0548	1.5381	0.436	-0.1074	1.1733	0.0123	1.2317	65.4056	-22.9725	104.7226

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 24 )	A	2 - 24
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 25 through 43 )	A	25 - 43
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 44 through 53 )	A	44 - 53
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 54 through 76 )	A	54 - 76
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 77 through 92 )	A	77 - 92
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 2 through 24 )	B	2 - 24
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 25 through 43 )	B	25 - 43
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 44 through 58 )	B	44 - 58
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 59 through 92 )	B	59 - 92
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 1 through 24 )	C	1 - 24
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 25 through 43 )	C	25 - 43
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 44 through 92 )	C	44 - 92
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 2 through 6 )	D	2 - 6
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 7 through 24 )	D	7 - 24
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 25 through 43 )	D	25 - 43
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 44 through 48 )	D	44 - 48
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 49 through 53 )	D	49 - 53
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 54 through 66 )	D	54 - 66
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 67 through 76 )	D	67 - 76
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 77 through 85 )	D	77 - 85
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 86 through 92 )	D	86 - 92
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 2 through 6 )	E	2 - 6
23	X-RAY DIFFRACTION	23	chain 'E' and (resid 7 through 24 )	E	7 - 24
24	X-RAY DIFFRACTION	24	chain 'E' and (resid 25 through 43 )	E	25 - 43
25	X-RAY DIFFRACTION	25	chain 'E' and (resid 44 through 58 )	E	44 - 58
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 59 through 66 )	E	59 - 66
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 67 through 76 )	E	67 - 76
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 77 through 85 )	E	77 - 85
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 86 through 92 )	E	86 - 92
30	X-RAY DIFFRACTION	30	chain 'F' and (resid 2 through 24 )	F	2 - 24
31	X-RAY DIFFRACTION	31	chain 'F' and (resid 25 through 43 )	F	25 - 43
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 44 through 53 )	F	44 - 53
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 54 through 92 )	F	54 - 92
34	X-RAY DIFFRACTION	34	chain 'G' and (resid 2 through 24 )	G	2 - 24
35	X-RAY DIFFRACTION	35	chain 'G' and (resid 25 through 43 )	G	25 - 43
36	X-RAY DIFFRACTION	36	chain 'G' and (resid 44 through 53 )	G	44 - 53
37	X-RAY DIFFRACTION	37	chain 'G' and (resid 54 through 92 )	G	54 - 92
38	X-RAY DIFFRACTION	38	chain 'H' and (resid 2 through 6 )	H	2 - 6
39	X-RAY DIFFRACTION	39	chain 'H' and (resid 7 through 24 )	H	7 - 24
40	X-RAY DIFFRACTION	40	chain 'H' and (resid 25 through 43 )	H	25 - 43
41	X-RAY DIFFRACTION	41	chain 'H' and (resid 44 through 58 )	H	44 - 58
42	X-RAY DIFFRACTION	42	chain 'H' and (resid 59 through 76 )	H	59 - 76
43	X-RAY DIFFRACTION	43	chain 'H' and (resid 77 through 85 )	H	77 - 85
44	X-RAY DIFFRACTION	44	chain 'H' and (resid 86 through 92 )	H	86 - 92
45	X-RAY DIFFRACTION	45	chain 'I' and (resid 5 through 24 )	I	5 - 24
46	X-RAY DIFFRACTION	46	chain 'I' and (resid 25 through 43 )	I	25 - 43
47	X-RAY DIFFRACTION	47	chain 'I' and (resid 44 through 92 )	I	44 - 92
48	X-RAY DIFFRACTION	48	chain 'J' and (resid 2 through 24 )	J	2 - 24
49	X-RAY DIFFRACTION	49	chain 'J' and (resid 25 through 53 )	J	25 - 53
50	X-RAY DIFFRACTION	50	chain 'J' and (resid 54 through 85 )	J	54 - 85
51	X-RAY DIFFRACTION	51	chain 'J' and (resid 86 through 92 )	J	86 - 92
52	X-RAY DIFFRACTION	52	chain 'K' and (resid 2 through 43 )	K	2 - 43
53	X-RAY DIFFRACTION	53	chain 'K' and (resid 44 through 58 )	K	44 - 58
54	X-RAY DIFFRACTION	54	chain 'K' and (resid 59 through 85 )	K	59 - 85
55	X-RAY DIFFRACTION	55	chain 'K' and (resid 86 through 92 )	K	86 - 92
56	X-RAY DIFFRACTION	56	chain 'L' and (resid 2 through 43 )	L	2 - 43
57	X-RAY DIFFRACTION	57	chain 'L' and (resid 44 through 92 )	L	44 - 92
58	X-RAY DIFFRACTION	58	chain 'M' and (resid 3 through 24 )	M	3 - 24
59	X-RAY DIFFRACTION	59	chain 'M' and (resid 25 through 42 )	M	25 - 42
60	X-RAY DIFFRACTION	60	chain 'M' and (resid 43 through 57 )	M	43 - 57
61	X-RAY DIFFRACTION	61	chain 'M' and (resid 58 through 66 )	M	58 - 66
62	X-RAY DIFFRACTION	62	chain 'M' and (resid 67 through 76 )	M	67 - 76
63	X-RAY DIFFRACTION	63	chain 'M' and (resid 77 through 85 )	M	77 - 85
64	X-RAY DIFFRACTION	64	chain 'M' and (resid 86 through 92 )	M	86 - 92
65	X-RAY DIFFRACTION	65	chain 'N' and (resid 2 through 43 )	N	2 - 43
66	X-RAY DIFFRACTION	66	chain 'N' and (resid 44 through 76 )	N	44 - 76
67	X-RAY DIFFRACTION	67	chain 'N' and (resid 77 through 92 )	N	77 - 92
68	X-RAY DIFFRACTION	68	chain 'O' and (resid 2 through 24 )	O	2 - 24
69	X-RAY DIFFRACTION	69	chain 'O' and (resid 25 through 53 )	O	25 - 53
70	X-RAY DIFFRACTION	70	chain 'O' and (resid 54 through 92 )	O	54 - 92
71	X-RAY DIFFRACTION	71	chain 'P' and (resid 2 through 43 )	P	2 - 43
72	X-RAY DIFFRACTION	72	chain 'P' and (resid 44 through 58 )	P	44 - 58
73	X-RAY DIFFRACTION	73	chain 'P' and (resid 59 through 92 )	P	59 - 92
74	X-RAY DIFFRACTION	74	chain 'Q' and (resid 2 through 58 )	Q	2 - 58
75	X-RAY DIFFRACTION	75	chain 'Q' and (resid 59 through 76 )	Q	59 - 76
76	X-RAY DIFFRACTION	76	chain 'Q' and (resid 77 through 92 )	Q	77 - 92
77	X-RAY DIFFRACTION	77	chain 'R' and (resid 2 through 24 )	R	2 - 24
78	X-RAY DIFFRACTION	78	chain 'R' and (resid 25 through 66 )	R	25 - 66
79	X-RAY DIFFRACTION	79	chain 'R' and (resid 67 through 92 )	R	67 - 92
80	X-RAY DIFFRACTION	80	chain 'a' and (resid 3 through 24 )	a	3 - 24
81	X-RAY DIFFRACTION	81	chain 'a' and (resid 25 through 73 )	a	25 - 73
82	X-RAY DIFFRACTION	82	chain 'a' and (resid 74 through 89 )	a	74 - 89
83	X-RAY DIFFRACTION	83	chain 'b' and (resid 3 through 25 )	b	3 - 25
84	X-RAY DIFFRACTION	84	chain 'b' and (resid 26 through 64 )	b	26 - 64
85	X-RAY DIFFRACTION	85	chain 'b' and (resid 65 through 89 )	b	65 - 89
86	X-RAY DIFFRACTION	86	chain 'c' and (resid 3 through 30 )	c	3 - 30
87	X-RAY DIFFRACTION	87	chain 'c' and (resid 31 through 64 )	c	31 - 64
88	X-RAY DIFFRACTION	88	chain 'c' and (resid 65 through 89 )	c	65 - 89
89	X-RAY DIFFRACTION	89	chain 'd' and (resid 5 through 12 )	d	5 - 12
90	X-RAY DIFFRACTION	90	chain 'd' and (resid 13 through 25 )	d	13 - 25
91	X-RAY DIFFRACTION	91	chain 'd' and (resid 26 through 65 )	d	26 - 65
92	X-RAY DIFFRACTION	92	chain 'd' and (resid 66 through 89 )	d	66 - 89
93	X-RAY DIFFRACTION	93	chain 'e' and (resid 11 through 25 )	e	11 - 25
94	X-RAY DIFFRACTION	94	chain 'e' and (resid 26 through 65 )	e	26 - 65
95	X-RAY DIFFRACTION	95	chain 'e' and (resid 66 through 89 )	e	66 - 89
96	X-RAY DIFFRACTION	96	chain 'f' and (resid 5 through 30 )	f	5 - 30
97	X-RAY DIFFRACTION	97	chain 'f' and (resid 31 through 64 )	f	31 - 64
98	X-RAY DIFFRACTION	98	chain 'f' and (resid 65 through 73 )	f	65 - 73
99	X-RAY DIFFRACTION	99	chain 'f' and (resid 74 through 89 )	f	74 - 89
100	X-RAY DIFFRACTION	100	chain 'g' and (resid 4 through 30 )	g	4 - 30
101	X-RAY DIFFRACTION	101	chain 'g' and (resid 31 through 64 )	g	31 - 64
102	X-RAY DIFFRACTION	102	chain 'g' and (resid 65 through 89 )	g	65 - 89
103	X-RAY DIFFRACTION	103	chain 'h' and (resid 11 through 24 )	h	11 - 24
104	X-RAY DIFFRACTION	104	chain 'h' and (resid 25 through 65 )	h	25 - 65
105	X-RAY DIFFRACTION	105	chain 'h' and (resid 66 through 89 )	h	66 - 89
106	X-RAY DIFFRACTION	106	chain 'i' and (resid 7 through 65 )	i	7 - 65
107	X-RAY DIFFRACTION	107	chain 'i' and (resid 66 through 89 )	i	66 - 89
108	X-RAY DIFFRACTION	108	chain 'j' and (resid 7 through 30 )	j	7 - 30
109	X-RAY DIFFRACTION	109	chain 'j' and (resid 31 through 89 )	j	31 - 89
110	X-RAY DIFFRACTION	110	chain 'k' and (resid 5 through 30 )	k	5 - 30
111	X-RAY DIFFRACTION	111	chain 'k' and (resid 31 through 89 )	k	31 - 89
112	X-RAY DIFFRACTION	112	chain 'l' and (resid 4 through 30 )	l	4 - 30
113	X-RAY DIFFRACTION	113	chain 'l' and (resid 31 through 65 )	l	31 - 65
114	X-RAY DIFFRACTION	114	chain 'l' and (resid 66 through 89 )	l	66 - 89
115	X-RAY DIFFRACTION	115	chain 'm' and (resid 5 through 31 )	m	5 - 31
116	X-RAY DIFFRACTION	116	chain 'm' and (resid 32 through 64 )	m	32 - 64
117	X-RAY DIFFRACTION	117	chain 'm' and (resid 65 through 89 )	m	65 - 89
118	X-RAY DIFFRACTION	118	chain 'n' and (resid 5 through 30 )	n	5 - 30
119	X-RAY DIFFRACTION	119	chain 'n' and (resid 31 through 65 )	n	31 - 65
120	X-RAY DIFFRACTION	120	chain 'n' and (resid 66 through 89 )	n	66 - 89
121	X-RAY DIFFRACTION	121	chain 'o' and (resid 7 through 30 )	o	7 - 30
122	X-RAY DIFFRACTION	122	chain 'o' and (resid 31 through 73 )	o	31 - 73
123	X-RAY DIFFRACTION	123	chain 'o' and (resid 74 through 89 )	o	74 - 89
124	X-RAY DIFFRACTION	124	chain 'p' and (resid 3 through 12 )	p	3 - 12
125	X-RAY DIFFRACTION	125	chain 'p' and (resid 13 through 24 )	p	13 - 24
126	X-RAY DIFFRACTION	126	chain 'p' and (resid 25 through 31 )	p	25 - 31
127	X-RAY DIFFRACTION	127	chain 'p' and (resid 32 through 64 )	p	32 - 64
128	X-RAY DIFFRACTION	128	chain 'p' and (resid 65 through 73 )	p	65 - 73
129	X-RAY DIFFRACTION	129	chain 'p' and (resid 74 through 89 )	p	74 - 89
130	X-RAY DIFFRACTION	130	chain 'q' and (resid 4 through 30 )	q	4 - 30
131	X-RAY DIFFRACTION	131	chain 'q' and (resid 31 through 89 )	q	31 - 89
132	X-RAY DIFFRACTION	132	chain 'r' and (resid 5 through 30 )	r	5 - 30
133	X-RAY DIFFRACTION	133	chain 'r' and (resid 31 through 89 )	r	31 - 89