@tome V2.1
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Global output mode :
Group entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Selected Ligands Contact
Catalytic Site Atlas
Show alignment :
Best alignments
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
Structural Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Modeller Score
Verify3D Model Score
QMean Model Score
Hide column
Complexes Prediction
Show Ligands of Templates
Comparative Docking Score
Virtual Screening Score
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Comparative Docking Tab
Atome Color :
Mutated
Helix
Strand
Conserved
Query sequence : >T0739: (2012-07-05 )
MNEMFSQGGKGSTGILTNKQAVARHFGVKQSEVVYFSVGVDLGGYKVIYDKETQRAYSLPVGIASGTTAVSLSTAAVLVHSAGSVDLGSLAVSREEYVTLPGSFDSGSTLNVKNELLTYTDGKYRWDGILPKTVAPGSTPASTGGVGLGAWISVGDASLRTQLANGDGSLIGIHPQGTLNNVLTVRTPEQYNAVGDGIADDTSKLKEMLSDINNVPETLPDAAAVNSYMEQVAVKIDLTKLYRFTETLYIPPGVSIEIPTSNFFTRECKQGLFYDPVDKNTAAISLMVYRKQPDGSYKLNKDVDYYPTGLDIDNGDAITCARKIDINNLNLITAPGVKVGVKWIGGAGCTTKGLSIGENTGSDITTARLPRVGLLQSASWGSIHENLRILYKTQGAVFIDSNGGAAVNNAYISRLGNTNGELEQAVYKPAGFTEVGDVAVTQFAGSEVKFNSPIIEQASFDFVHAGRDTDSYGLFMVDKPHIESSGGKKKHSFYLINTSSNVTLSGVGLSGQDPDLDSMYFLKNCPETARNVVRGQMPISGVKLVRGTGNYPTLVLDCTNMGSQFQFGEVGDIFYIKDVVGVKADTLYIDPVNGNNYNWGTNGTKPIRELTNIAKICQLFRCKSVYLNAGESVITSNTELPMVVFEGPGSLKANSGSSFLIKAGGTLSLIGLSGISTDGGHMFRVSTVEKVNIHTNCSVNAGAAYVVLSEVQGNIEYRQLFYSVNCSKYIGATAGQTIAGIMVKTATRPTGIDAAPVDGNVSLTYKIIES
Atome Classification :
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660.......670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850.......860.......870.......880.......890.......900.......910.......920.......930.......940.......950.......960.......970.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--MNEMFSQGGKGSTGILTNKQAVARHFGVKQSEVVYFSVGVDLGGYKVIYDKETQRAYSLPVGIASGTTAVSLSTAAVLVHSAGSVDLGSLAVSR---EEYVTLPGSFDSGSTLNVK--------NELLTYTDGKYRWDGILPKTVA------PGSTPA--STGGVGLGAWISVGDASLRTQLANGDG-SLIGIHP-QGT--------LNNVLT------------VRTPEQYNAVGDG------IADDTSKLKE-MLSDINNVPETLPDA--AAVNSYM-EQVA---VKIDLTKLYRFTE-TL-YI----PPGVSIEIPTSNFFTRECKQGLFYD-PVDKNTAAISLMVYRKQPDGSYKLNKDVDYYPTGLDID-NGDAITCARKIDINNLNL--IT-APGVKVGVKWIGGAGCTTK------GLSIGENTGS----------D----I-TTARLPRVGLLQSASWGSIHENLRI----LY-KTQ--G---AV-FIDSN-GGAAVNNAYISRLG-----------NTNGELEQAVYKPAGF--TEVGD----VAVTQFAGSEVKF--NSPIIEQASFDFVHAGR----DTDSY-GLFMVDKPHIESSG---GKKKHSFYLINTSSNVTLSGVGLSG---QDPDLDSMYFLKNCPETARNVVRGQMPI------SGVKLVRGT-----GNY------PTLVLDCTNMGSQF--------QFGEVGDIFYI--KDVVGVKAD-----TLYIDPVNGNNYNWGTNGTK-----------------PIRELTNIAKICQ--LFRCKSVYLNAGESVITSNTELPMVVFEGPGSLKANSGSSFL--IKAGGTLSLIGLSGI--STDGGHMFR-VSTVEKVNIHTNCSVNAGAAYVVLSEVQGNIE--YR-----QLFYSVNCSK--YIGATAGQTIAGIM--VKTATRPTGIDAAPVD---GNVSLTYKIIES-------
3
Fugue
71.50
14%
-22.72
- C3 -
1NIR
9
NIRS_PSEAE
A:
[6-543]
---------
A
---------
A
E
Q
Y
Q
G
A
A
S
A
V
D
P
A
H
V
V
R
T
---
N
G
A
P
D
M
S
E
S
E
F
N
E
A
K
Q
I
Y
F
Q
R
---------------
C
A
G
C
H
G
V
L
R
K
G
A
T
G
K
P
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P
---
D
I
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R
----------------------------------------------------------------------
G
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-
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G
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--------
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K
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I
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A
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------
I
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---
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----
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-
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A
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-------------------------
R
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A
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--
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V
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------
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----------
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DR
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A
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----
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A
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-----------
H
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V
--------
K
E
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----
V
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I
D
-----
N
L
T
V
T
S
I
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A
A
P
F
L
H
D
G
G
----
W
D
S
S
H
-
R
Y
F
M
T
A
A
-----------
N
N
S
N
K
V
A
V
I
D
S
K
D
R
R
L
S
A
L
V
D
V
-
G
---
K
T
P
H
P
G
R
------------------------------------------------------------
G
A
N
F
--------
V
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Y
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--
S
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-----
L
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A
W
-----
K
-----------------
K
V
A
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Q
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----------------
Q
G
G
G
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A
--
V
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L
D
--------------------
A
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Y
Q
V
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P
I
A
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W
A
D
L
G
E
G
A
K
R
V
V
------
Q
P
E
--
Y
N
-----
K
R
G
D
E
V
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F
S
V
--
W
N
G
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N
D
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A
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--
D
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L
K
A
V
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K
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P
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L
I
TP
T
G
K
F
N
V
Y
N
T
Q
H
D
V
Y------
8
Fugue
69.64
20%
-30.47
* C7 *
1SQJ
-
CBHRE_GEOS1
A:
[4-786]
Y
E
F
K
N
V
A
I
G
G
G
G
Y
I
T
G
I
V
A
H
P
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K
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K
D
L
L
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A
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T
--
D
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-
A
Y
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A
Q
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M
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A
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-
N
N
P
D
R
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Y
L
A
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G
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Y
VG
D
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W
A
A
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Y
V
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M
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N
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N
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F
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S
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E
V
W
------
M
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--
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--------
G
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------------
A
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--
I
A
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-------
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P
---
M
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V
A
L
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P
--
N
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-
V
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-
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A
----
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G
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A
W
D
D
---------
I
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A
-
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C
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-
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---------
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R
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V
V
--
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-
L
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D
P
G
P
A
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G
-----------
G
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G
-----
A
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G
L
--
T
K
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G
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WMSA
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Y
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T
G
A
T
I
W
A
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E
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D
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----
A
P
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A
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---
S
P
K
---------
S
G
A
A
L
L
S
G
I
G
---------
D
I
S
G
M
---
K
H
D
D
L
T
K
P
Q
K
M
F
G
A
P
Q
F
------
S
N
L
D
S
I
D
A
A
-----
G
N
F
------
P
N
V
V
V
R
A
G
S
S
G
H
E
Y
DSACARGA
Y
A
T
D
G
G
D
A
W
T
I
FP
T
C
P
P
G
M
N
A
S
HYQ
G
S
T
I
A
V
D
-
A
S
G
S
Q
I
V
W
S
T
K
L
D
E
QAS
G
P
W
Y
S
HDYGK
T
W
S
V
P
A
G
D
L
K
A
Q
T
A
N
V
L
S
D
K
V
Q
D
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Y
A
T
D
G
G
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F
F
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T
D
G
G
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S
Y
A
A
K
G
A
G
L
V
T
G
T
S
L
M
P
A
V
NP
W
V
A
G
D
V
W
V
P
V
P
E
G
G
L
F
H
S
T
D
F
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A
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F
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R
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G
T
A
N
A
T
L
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V
G
A
P
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A
P
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A
V
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DDNG
S
T
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Q
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HN
Y
S
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P
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M
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A
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R
V
Y
L
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T
N
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R
G
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Y
A
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---
N
E
E
K
S
T
A
K
C
A
N
G
QKGTHCY
14
HHSearch
65.76
14%
-2.48
- C4 -
2VBK
19
TSPE_BPSFV
A:
[51-383]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
I
S
I
L
D
F
G
V
I
D
D
G
------
V
T
D
N
Y
Q
A
I
Q
N
-
A
I
D
A
V
A
S
L
------
P
--
S
G
G
E
L
F
I
-
P
A
S
N
QAV
G
Y
I
V
G
S
T
--------
L
-
L
I
----
P
G
G
V
N
I
R
G
V
G
K
A
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---
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M
V
N
E
--
V
E
-
T
A
Y
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M
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A
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A
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------
T
C
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F
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----------
Q
----
C
-
V
S
V
S
V
S
S
C
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F
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R
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N
Y
S
A
D
E
S
F
G
I
R
I
----
Q
P
-
Q
T
Y
--
A
---
W
S
S
E
A
V
R
S
-
E
A
I
I
L
D
S
E
T
M
C
I
G
F
KNAVYVH
D
C
L
D
L
H
M
E
Q
L
D
L
D
Y
C
G
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T
G
V
--
V
I
E
N
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----
N
G
G
F
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F
S
N
S
W
I
A
A
--
D
A
D
G
T
E
Q
--
F
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Y
F
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----
P
T
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T
Q
-
S
H
K
I
V
S
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V
H
I
N
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A
N
KNT
A
A
N
N
Q
S
I
A
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A
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F
V
S
G
C
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L
T
G
---
D
E
W
A
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
HHSearch
65.54
14%
-6.63
- C4 -
2XC1
3
TSPE_BPP22
A:
[7-401]
--------------------------------------------------------
V
V
V
S
N
P
R
P
I
F
T
E
S
R
S
F
K
A
V
A
N
G
K
I
Y
I
G
----
Q
I
D
T
D
P
V
N
P
---
A
N
Q
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P
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Y
I
E
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E
D
G
S
H
V
Q
I
T
--------
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P
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I
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N
A
A
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K
I
V
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--
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W
D
P
D
Q
Y
S
I
E
A
D
K
K
F
K
-
Y
S
V
K
L
S
D
-
Y
P
T
--------
L
Q
D
A
A
S
------------
A
A
-
V
D
G
L
L
I
D
R
D
Y
------
N
F
Y
G
G
E
T
V
D
F
-
G
G
K
V
L
T
I
E
C
K
A
K
F
I
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--
D
G
N
L
I
F
T
K
L
G
K
G
---
S
R
I
A
G
V
F
M
E
S
T
T
T
-
P
W
-
V
I
K
PWT
D
D
N
Q
W
L
T
D
A
A
A
V
V
A
T
L
K
Q
S
K
T
D
G
Y
Q
-
P
T
V
S
D
Y
V
K
F
P
G
I
E
T
L
L
P
P
N
A
K
G
Q
N
I
T
S
T
L
E
I
R
E
C
I
G
------------------
V
E
V
--
H
R
-
A
S
G
L
M
A
G
F
L
F
R
G
C
H
F
C
K
M
V
------
D
A
N
N
P
S
G
------------------
G
-
K
D
G
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T
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E
N
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S
G
D
W
G
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G
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T
----
S
Y
G
S
V
S
--
S
---
A
Q
-
F
L
R
N
N
-
G
G
F
E
R
D
G
G
V
I
G
F
T
S
-----------
Y
R
A
G
E
S
G
V
K
T
W
Q
---------
G
T
----
V
G
S
T
T
S
R
N
Y
N
L
Q
F
--
R
D
S
V
V
I
Y
P
V
W
D
G
F
D
L
G
A
----
D
T
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
HHSearch
61.33
13%
5.04
- C4 -
2VFM
10
TSPE_BPP22
A:
[5-294]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
Y
S
I
E
A
D
K
K
F
K
-
Y
S
V
K
L
S
D
-
Y
P
T
--------
L
Q
D
A
A
S
------------
A
A
-
V
D
G
L
L
I
D
R
D
Y
------
N
F
Y
G
G
E
T
V
D
F
-
G
G
K
V
L
T
I
E
C
K
A
K
F
I
G
--
D
G
N
L
I
F
T
K
L
G
K
G
---
S
R
I
A
G
V
F
M
E
S
T
T
T
-
P
W
-
V
I
K
PWT
D
D
N
Q
W
L
T
D
A
A
A
V
V
A
T
L
K
Q
S
K
T
D
G
Y
Q
-
P
T
V
S
D
Y
V
K
F
P
G
I
E
T
L
L
P
P
N
A
K
G
Q
N
I
T
S
T
L
E
I
R
E
C
I
G
------------------
V
E
V
--
H
R
-
A
S
G
L
M
A
G
F
L
F
R
G
C
H
F
C
K
M
V
------
D
A
N
N
P
S
G
------------------
G
-
K
D
G
I
I
T
F
E
N
L
S
G
D
W
G
K
G
N
Y
V
I
G
G
R
T
----
S
Y
G
S
V
S
--
S
---
A
Q
-
F
L
R
N
N
-
G
G
F
E
R
D
G
G
V
I
G
F
T
S
-----------
Y
R
A
G
E
S
G
V
K
T
W
Q
---------
G
T
----
V
G
S
T
T
S
R
N
Y
N
L
Q
F
--
R
D
S
V
V
I
Y
P
V
W
D
G
F
D
L
G
A
----
D
T
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
HHSearch
60.45
14%
-11.56
- C4 -
3EQN
7
?
A:
[44-275]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
G
Y
P
V
------------
F
R
N
V
K
N
Y
G
A
K
G
D
G
------
N
T
D
D
T
A
A
I
Q
A
-
A
I
N
A
G
G
R
C
G
Q
G
C
D
S
T
TT
Q
P
A
L
V
Y
F
-
P
P
G
T
---
Y
K
V
S
S
P
L
V
V
L
Y
Q
T
-
Q
L
I
G
D
----
A
K
N
L
P
T
L
L
A
A
P
N
F
S
G
I
A
L
I
D
A
D
P
Y
L
-
A
G
G
A
Q
Y
Y
V
N
Q
N
N
F
F
R
S
V
R
N
F
V
I
-
D
L
R
Q
V
S
G
S
A
T
G
I
H
W
Q
-
V
S
Q
A
T
S
L
I
N
-
I
V
F
---
Q
M
--
S
T
A
A
G
N
Q
H
Q
G
I
F
M
E
N
G
S
G
G
F
L
G
------
D
L
V
F
N
G
G
N
I
G
----------
A
----
T
F
G
N
Q
Q
F
T
V
R
N
L
T
F
N
N
A
N
T
A
I
N
A
I
W
N
W
----
G
W
-
T
F
Q
--
R
---
I
T
-
I
N
N
C
Q
-
V
G
F
D
L
T
Q
G
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
Fugue
55.86
21%
-37.77
- C4 -
3DU1
-
?
X:
[20-256]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
M
N
V
G
E
I
L
R
H
Y
A
A
G
K
R
N
F
QH
I
N
-
L
Q
E
I
E
L
T
N
A
S
L
T
G
A
D
L
S
Y
A
------
D
L
R
Q
T
R
L
G
K
S
NFSHTCLREA
D
----
L
-
S
E
A
I
L
W
G
I
D
L
S
E
A
D
L
Y
R
A
I
L
R
E
A
D
L
TGAK
L
V
-
K
T
R
LE
E
---
A
N
-
L
I
K
A
S
L
C
G
A
N
L
N
S
A
N
L
S
R
C
----------------
L
L
F
Q
A
D
L
R
P
S
S
N
QR
T
D
L
G
Y
----
V
L
L
T
G
A
D
L
S
Y
A
D
L
--
R
A
A
S
L
H
H
A
N
L
D
G
A
K
L
C
R
ANFG
R
T
I
Q
W
-
G
N
L
A
A
D
L
S
G
A
S
L
Q
G
---
A
D
L
S
Y
A
N
L
E
S
A
I
L
R
K
A
N
L
Q
G
A
D
L
T
G
AIL
K
D
A
E
L
K
G
A
I
M
P
D
G
S
I
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
HHSearch
52.79
13%
0.66
- C4 -
2VNL
3
TSPE_BPP22
A:
[4-123]
-----------------------------------------------------
T
A
N
V
V
V
S
N
P
R
P
I
F
T
E
S
R
S
F
K
A
V
A
N
G
K
I
Y
I
G
----
Q
I
D
T
D
P
V
N
P
---
A
N
Q
I
P
V
Y
I
E
N
E
D
G
S
H
V
Q
I
T
--------
Q
P
L
I
I
N
A
A
G
K
I
V
Y
N
G
Q
L
V
K
I
V
T
V
Q
G
H
S
M
A
I
Y
D
A
N
--
G
S
Q
V
D
Y
I
A
N
V
L
K
W
D
P
D
Q
Y
S
I
E
A
D
K
K
F
K
-
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast
50.80
22%
60.32
* C5 *
2Q9T
4
?
A:
[178-261]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
G
G
L
P
A
G
A
V
A
A
T
G
S
Q
G
V
M
T
A
L
A
A
G
D
G
-
R
I
T
Y
M
S
P
-
D
F
A
--------
A
P
T
L
A
G
------------
L
D
D
A
T
K
V
A
R
V
G
K
N
------
V
A
T
N
T
Q
G
V
S
P
-
A
A
A
N
V
S
A
A
I
G
A
V
P
V
P
--
A
A
A
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
HHSearch
49.24
18%
154.37
- C- -
2X6W
-
?
A:
[4-75]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
F
R
A
I
I
E
S
P
E
G
-
A
G
H
V
G
Y
Q
-
Y
R
R
NTGSTMRM
V
S
D
V
L
D
ERVSLWDFHCDP
S
G
N
V
I
Q
P
G
P
N
V
D
----------
S
R
Q
Y
L
Q
A
-
A
I
D
Y
V
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
HHSearch
48.82
14%
72.77
- C4 -
3JU4
2
A:
[4-107]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
S
A
K
G
D
G
------
V
T
D
D
T
A
A
L
T
S
-
A
L
N
D
T
P
V
G
Q
K
I
--
N
G
--
N
G
K
T
Y
K
V
-
T
S
L
P
---
D
I
S
R
F
I
N
T
R
F
V
Y
E
-
R
I
-
P
G
----
Q
P
L
Y
Y
A
S
E
E
F
V
Q
G
E
L
F
K
I
T
D
T
P
Y
Y
N
A
W
P
Q
D
K
A
F
V
Y
E
N
V
I
Y
A
P
Y
M
G
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
HHSearch
47.63
13%
87.09
- C4 -
1H80
2
CGIA_ALTFO
A:
[19-65]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
N
------------
Y
D
L
V
D
D
F
G
A
N
G
N
D
------
T
S
D
D
S
N
A
L
Q
R
-
A
I
N
A
I
S
R
K
------
P
--
N
G
G
T
L
L
I
-
P
N
G
T
---
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
Fugue
46.38
21%
260.35
- C5 -
2KDR
-
?
X:
[1-28]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
D
A
A
--
A
R
V
T
A
I
L
-
S
S
L
T
---
V
T
Q
L
L
R
R
L
H
Q
W
I
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
HHSearch
45.52
12%
77.45
- C4 -
2XC1
1
TSPE_BPP22
A:
[306-382]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
E
N
L
S
G
D
--
W
------
G
K
G
-
N
Y
V
I
G
G
----------
R
----
T
-
S
Y
G
S
V
S
S
A
Q
F
L
R
N
N
G
G
F
E
R
D
G
G
V
-
I
----
G
F
-
T
S
Y
--
R
---
A
G
-----
E
-
S
G
V
K
T
W
Q
G
T
V
G
S
T
T
-----------
S
R
N
Y
N
L
Q
F
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
HHSearch
44.45
15%
216.41
- C4 -
1RMG
1
RHGA_ASPAC
A:
[19-51]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
------------
T
C
N
I
L
S
Y
G
A
V
A
D
N
------
S
T
D
V
G
P
A
I
T
S
-
A
W
A
A
C
K
S
G
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
Fugue
43.85
13%
-14.83
- C4 -
1KRR
2
THGA_ECOLI
A:
[2-201]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
--------
M
P
M
T
E
R
------------
I
R
A
G
K
L
F
T
D
M
C
E
G
------
L
P
E
K
R
L
R
G
K
T
-
L
M
Y
E
F
N
H
S
H
P
S
--
E
V
--
E
K
R
E
S
L
I
-
K
E
M
F
---
A
T
V
G
--
E
N
A
W
V
E
P
-
P
V
-
Y
F
----
S
Y
G
S
N
I
H
I
G
R
N
F
Y
A
N
F
N
L
T
I
V
-------
D
D
Y
T
V
T
I
G
D
N
V
L
I
A
P
N
V
T
L
S
V
T
G
H
P
V
H
H
E
L
R
K
N
G
E
M
-
Y
S
F
P
I
T
I
G
N
N
V
W
I
G
S
-
H
V
--
V
I
-
N
P
G
V
T
I
G
D
N
S
V
I
G
A
G
S
I
V
T
K
D
I
P
P
N
V
V
A
A
G
V
P
C
R
V
----------
I
----
R
-
E
I
N
D
R
D
K
H
Y
Y
F
K
D
Y
K
V
E
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
Fugue
41.96
10%
-7.67
* C6 *
2NLW
-
A:
[1-105]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
D
V
L
K
D
------
R
P
Q
E
A
D
G
I
D
S
----------
V
----
I
-
V
V
D
N
V
P
Q
V
G
---
P
D
R
L
E
K
L
K
N
V
I
H
K
----
I
F
-
S
K
F
--
G
KIT
N
D
-
F
Y
P
E
E
-
D
G
K
T
K
G
Y
I
F
L
E
Y
-------------
A
S
P
A
H
A
V
D
A
V
K
N
A
D
G
Y
--
K
L
D
K
Q
----
H
T
F
R
V
N
L
F
T
D
F
D
K
--
Y
M
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
41.85
25%
287.32
- C4 -
3GQ8
-
A:
[21-48]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
------------
G
V
S
V
K
T
Y
G
A
K
G
D
G
------
V
T
D
D
I
R
A
F
E
K
-
A
I
E
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
36.57
27%
1.29
- C7 -
1XK5
1
SPN1_HUMAN
A:
[15-101]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
P
S
D
L
G
Q
E
W
I
V
V
V
C
P
V
G
K
R
A
L
I
V
A
S
R
G
S
T
S
A
Y
T
K
S
G
Y
C
V
N
R
F
S
S
LLPG
G
N
R
RNSTAK
D
Y
T
I
L
D
C
I
---------------
Y
N
E
V
N
Q
T
Y
Y
V
--
L
D
V
M
C
W
R
G
H
-----
P
F
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
36.43
13%
239.21
- C4 -
2UVF
-
?
A:
[155-185]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
------------
I
V
N
V
R
D
F
G
A
I
D
D
G
------
K
T
L
N
T
K
A
I
Q
Q
-
A
I
D
S
C
K
P
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
User Run . : Multi Template Modeling Result:
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660.......670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNEMFSQGGKGSTGILTNKQAVARHFGVKQSEVVYFSVGVDLGGYKVIYDKETQRAYSLPVGIASGTTAVSLSTAAVLVHSAGSVDLGSLAVSREEYVTLPGSFDSGSTLNVKNELLTYTDGKYRWDGILPKTVAPGSTPASTGGVGLGAWISVGDASLRTQLANGDGSLIGIHPQGTLNNVLTVRTPEQYNAVGDGIADDTSKLKEMLSDINNVPETLPDAAAVNSYMEQVAVKIDLTKLYRFTETLYIPPGVSIEIPTSNFFTRECKQGLFYDPVDKNTAAISLMVYRKQPDGSYKLNKDVDYYPTGLDIDNGDAITCARKIDINNLNLITAPGVKVGVKWIGGAGCTTKGLSIGENTGSDITTARLPRVGLLQSASWGSIHENLRILYKTQGAVFIDSNGGAAVNNAYISRLGNTNGELEQAVYKPAGFTEVGDVAVTQFAGSEVKFNSPIIEQASFDFVHAGRDTDSYGLFMVDKPHIESSGGKKKHSFYLINTSSNVTLSGVGLSGQDPDLDSMYFLKNCPETARNVVRGQMPISGVKLVRGTGNYPTLVLDCTNMGSQFQFGEVGDIFYIKDVVGVKADTLYIDPVNGNNYNWGTNGTKPIRELTNIAKICQLFRCKSVYLNAGESVITSNTELPMVVFEGPGSLKANSGSSFLIKAGGTLSLIGLSGISTDGGHMFRVSTVEKVNIHTNCSVNAGAAYVVLSEVQGNIEYRQLFYSVNCSKYIGATAGQTIAGIMVKTATRPTGIDAAPVDGNVSLTYKIIES
39
74.77
100%
-42.49
- C- -
M039
-
A:
[178-561]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
I
A
D
D
T
S
K
L
K
E
M
L
S
D
I
N
N
V
P
E
T
L
P
D
A
A
A
V
N
S
Y
M
E
Q
V
A
V
K
I
D
L
T
K
L
Y
R
F
T
E
T
L
Y
I
P
P
G
V
S
I
E
I
P
T
S
N
F
F
T
R
E
C
K
Q
G
L
F
Y
D
P
V
D
K
N
T
A
A
I
S
L
M
V
Y
R
K
Q
P
D
G
S
Y
K
L
N
K
D
V
D
Y
Y
P
T
G
L
D
I
D
N
G
D
A
I
T
C
A
R
K
I
D
I
N
N
L
N
L
I
T
A
P
G
V
K
V
G
V
K
W
I
G
G
A
G
C
T
T
K
G
L
S
I
G
E
N
T
G
S
D
I
T
T
A
R
L
P
R
V
G
L
L
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A
S
W
G
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H
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N
L
R
I
L
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K
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Q
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A
V
F
I
D
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N
G
G
A
A
V
N
N
A
Y
I
S
R
L
G
N
T
N
G
E
L
E
Q
A
V
Y
K
P
A
G
F
T
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V
G
D
V
A
V
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Q
F
A
G
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N
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I
I
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A
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D
F
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A
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D
T
D
S
Y
G
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F
M
V
D
K
P
H
I
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S
G
G
K
K
K
H
S
F
Y
L
I
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T
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S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
D
S
M
Y
F
L
K
N
C
P
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
74.48
100%
-19.28
- C- -
M032
-
A:
[55-552]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
V
S
L
S
T
A
A
V
L
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S
A
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D
L
G
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A
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E
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T
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G
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D
S
G
S
T
L
N
V
K
N
E
L
L
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Y
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D
G
K
Y
R
W
D
G
I
L
P
K
T
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A
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T
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A
S
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G
G
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G
L
G
A
W
I
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A
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R
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L
A
N
G
D
G
S
L
I
G
I
H
P
Q
G
T
L
N
N
V
L
T
V
R
T
P
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Q
Y
N
A
V
G
D
G
I
A
D
D
T
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K
L
K
E
M
L
S
D
I
N
N
V
P
E
T
L
P
D
A
A
A
V
N
S
Y
M
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A
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A
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N
L
N
L
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G
V
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V
G
V
K
W
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G
G
A
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C
T
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G
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N
T
G
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I
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A
R
L
P
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G
L
L
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A
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N
L
R
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L
Y
K
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Q
G
A
V
F
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D
S
N
G
G
A
A
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N
N
A
Y
I
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R
L
G
N
T
N
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L
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A
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Y
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A
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A
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N
S
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I
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F
D
F
V
H
A
G
R
D
T
D
S
Y
G
L
F
M
V
D
K
P
H
I
E
S
S
G
G
K
K
K
H
S
F
Y
L
I
N
T
S
S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
73.54
100%
-17.30
- C- -
M053
-
A:
[178-541]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
I
A
D
D
T
S
K
L
K
E
M
L
S
D
I
N
N
V
P
E
T
L
P
D
A
A
A
V
N
S
Y
M
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V
A
V
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L
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T
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P
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F
F
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A
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Y
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G
L
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A
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N
L
N
L
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G
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V
G
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W
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G
G
A
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C
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T
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A
R
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P
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N
L
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K
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A
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F
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N
G
G
A
A
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N
N
A
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L
G
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L
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A
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Y
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A
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K
P
H
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G
G
K
K
K
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Y
L
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T
S
S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
73.44
100%
-26.03
- C- -
M054
-
A:
[178-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
I
A
D
D
T
S
K
L
K
E
M
L
S
D
I
N
N
V
P
E
T
L
P
D
A
A
A
V
N
S
Y
M
E
Q
V
A
V
K
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L
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K
L
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T
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T
L
Y
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P
P
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N
F
F
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K
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G
L
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A
A
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L
M
V
Y
R
K
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K
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Y
Y
P
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G
L
D
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A
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C
A
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K
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N
N
L
N
L
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G
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V
G
V
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W
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G
G
A
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C
T
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N
T
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A
R
L
P
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G
L
L
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A
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N
L
R
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K
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G
A
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F
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N
G
G
A
A
V
N
N
A
Y
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R
L
G
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G
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L
E
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A
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Y
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P
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G
G
K
K
K
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S
S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
73.42
100%
-46.93
- C- -
M041
-
A:
[178-561]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
I
A
D
D
T
S
K
L
K
E
M
L
S
D
I
N
N
V
P
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T
L
P
D
A
A
A
V
N
S
Y
M
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Q
V
A
V
K
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L
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K
L
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T
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T
L
Y
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P
G
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N
F
F
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G
L
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A
A
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V
Y
R
K
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Y
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G
L
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A
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N
N
L
N
L
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G
G
A
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L
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L
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G
A
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N
G
G
A
A
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N
N
A
Y
I
S
R
L
G
N
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G
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L
E
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A
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Y
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A
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A
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A
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A
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G
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K
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G
V
G
L
S
G
Q
D
P
D
L
D
S
M
Y
F
L
K
N
C
P
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
73.22
100%
-23.97
- C- -
M052
-
A:
[178-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
I
A
D
D
T
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K
L
K
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M
L
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I
N
N
V
P
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A
A
A
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A
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N
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A
A
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Y
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G
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A
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A
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N
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N
L
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A
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G
G
A
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L
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L
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L
Y
K
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A
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F
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D
S
N
G
G
A
A
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N
N
A
Y
I
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L
G
N
T
N
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L
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A
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A
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A
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A
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G
G
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K
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T
S
S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
71.91
100%
-23.10
- C- -
M050
-
A:
[178-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
I
A
D
D
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K
L
K
E
M
L
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N
N
V
P
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A
A
A
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A
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A
A
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Q
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K
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Y
Y
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G
L
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A
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A
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N
L
N
L
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A
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G
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W
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G
G
A
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N
T
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L
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A
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N
G
G
A
A
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N
A
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A
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A
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D
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G
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P
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G
G
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K
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N
T
S
S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
71.68
100%
-17.01
- C- -
M044
-
A:
[55-558]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
V
S
L
S
T
A
A
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A
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A
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A
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A
A
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N
L
N
L
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G
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V
G
V
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G
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A
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T
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L
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A
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L
R
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A
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F
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N
G
G
A
A
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N
N
A
Y
I
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R
L
G
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T
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G
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L
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A
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S
S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
71.42
100%
-21.15
- C- -
M055
-
A:
[178-546]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
I
A
D
D
T
S
K
L
K
E
M
L
S
D
I
N
N
V
P
E
T
L
P
D
A
A
A
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N
S
Y
M
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Q
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A
V
K
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L
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K
L
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L
N
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L
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L
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A
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N
G
G
A
A
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N
N
A
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L
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A
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A
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A
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G
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F
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P
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G
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K
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F
Y
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I
N
T
S
S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
71.15
100%
-16.49
- C- -
M042
-
A:
[178-566]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
I
A
D
D
T
S
K
L
K
E
M
L
S
D
I
N
N
V
P
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L
P
D
A
A
A
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N
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Y
M
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V
A
V
K
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L
T
K
L
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T
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P
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N
F
F
T
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C
K
Q
G
L
F
Y
D
P
V
D
K
N
T
A
A
I
S
L
M
V
Y
R
K
Q
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G
S
Y
K
L
N
K
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D
Y
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A
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A
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K
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L
N
L
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L
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A
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N
G
G
A
A
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N
N
A
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L
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N
G
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L
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A
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G
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P
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K
K
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T
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G
V
G
L
S
G
Q
D
P
D
L
D
S
M
Y
F
L
K
N
C
P
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
71.08
100%
-16.01
- C- -
M051
-
A:
[178-541]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
I
A
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D
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K
L
K
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M
L
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A
A
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Y
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A
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N
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A
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F
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D
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G
G
A
A
V
N
N
A
Y
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L
G
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A
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A
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A
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G
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S
S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
70.89
100%
-19.71
- C- -
M038
-
A:
[55-578]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
V
S
L
S
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G
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A
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L
A
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G
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G
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M
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N
L
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A
A
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N
A
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G
L
S
G
Q
D
P
D
L
D
S
M
Y
F
L
K
N
C
P
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
70.39
100%
-17.82
- C- -
M034
-
A:
[55-547]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
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S
L
S
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N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
70.38
100%
-24.39
- C- -
M033
-
A:
[55-547]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
V
S
L
S
T
A
A
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S
S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
70.11
100%
-26.04
- C- -
M040
-
A:
[178-566]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
N
N
V
L
T
V
R
T
P
E
Q
Y
N
A
V
G
D
G
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Q
D
P
D
L
D
S
M
Y
F
L
K
N
C
P
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
69.66
100%
-25.02
- C- -
M037
-
A:
[55-552]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
V
S
L
S
T
A
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S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
69.57
100%
-15.42
- C- -
M049
-
A:
[55-558]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
V
S
L
S
T
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A
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N
A
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S
N
V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
69.00
100%
-17.21
- C- -
M043
-
A:
[55-578]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
V
S
L
S
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G
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Q
D
P
D
L
D
S
M
Y
F
L
K
N
C
P
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
68.49
100%
-8.78
- C- -
M035
-
A:
[55-547]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
V
S
L
S
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V
T
L
S
G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
67.67
100%
-5.24
- C- -
M048
-
A:
[55-553]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
S
G
T
T
A
V
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L
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N
V
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G
V
G
L
S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
66.73
100%
-8.16
- C- -
M046
-
A:
[55-553]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
A
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V
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Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
66.07
100%
-14.12
- C- -
M036
-
A:
[55-547]
------------------------------------------------------
R
A
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L
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G
V
G
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S
G
Q
D
P
D
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
63.50
100%
-7.92
- C- -
M045
-
A:
[55-488]
------------------------------------------------------
R
A
Y
S
L
P
V
G
I
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A
G
R
D
T
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
62.12
100%
-7.23
- C- -
M047
-
A:
[55-488]
------------------------------------------------------
R
A
Y
S
L
P
V
G
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------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------