## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
M |
97 |
27 |
8073 |
◊ |
M |
-x+1,y,-z |
2_655 |
97 |
27 |
8073 |
1023.4 |
-22.4 |
0.037 |
4 |
4 |
0 |
1.000 |
2 |
|
Q |
95 |
25 |
7983 |
◊ |
E |
-x+1,y,-z |
2_655 |
92 |
25 |
7702 |
975.7 |
-22.4 |
0.031 |
1 |
2 |
0 |
1.000 |
3 |
|
I |
86 |
24 |
7733 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
86 |
25 |
7600 |
852.2 |
-17.6 |
0.079 |
4 |
2 |
0 |
1.000 |
Average: |
950.4 |
-20.8 |
0.049 |
3 |
3 |
0 |
1.000 |
2 |
4 |
|
J |
97 |
25 |
7376 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
92 |
25 |
7287 |
979.7 |
-17.7 |
0.070 |
5 |
0 |
0 |
0.573 |
5 |
|
R |
94 |
25 |
7189 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
94 |
25 |
7173 |
976.7 |
-17.0 |
0.083 |
7 |
2 |
0 |
0.573 |
6 |
|
N |
91 |
24 |
7038 |
◊ |
N |
-x+1,y,-z+1 |
2_656 |
91 |
24 |
7038 |
876.3 |
-15.0 |
0.170 |
4 |
0 |
0 |
0.573 |
Average: |
944.2 |
-16.6 |
0.108 |
5 |
1 |
0 |
0.573 |
3 |
7 |
|
T |
82 |
21 |
7035 |
◊ |
R |
x,y,z |
1_555 |
89 |
20 |
7189 |
812.3 |
-9.0 |
0.378 |
4 |
0 |
0 |
0.277 |
8 |
|
L |
85 |
21 |
6991 |
◊ |
J |
x,y,z |
1_555 |
90 |
21 |
7376 |
801.8 |
-9.1 |
0.427 |
6 |
0 |
0 |
0.277 |
9 |
|
H |
86 |
21 |
6706 |
◊ |
F |
x,y,z |
1_555 |
89 |
22 |
7173 |
801.1 |
-9.9 |
0.384 |
4 |
0 |
0 |
0.277 |
10 |
|
D |
78 |
20 |
7019 |
◊ |
B |
x,y,z |
1_555 |
85 |
20 |
7287 |
787.3 |
-8.8 |
0.347 |
4 |
0 |
0 |
0.277 |
11 |
|
P |
79 |
19 |
7174 |
◊ |
N |
x,y,z |
1_555 |
86 |
20 |
7038 |
770.1 |
-9.1 |
0.395 |
4 |
0 |
0 |
0.277 |
12 |
|
C |
77 |
18 |
6839 |
◊ |
A |
x,y,z |
1_555 |
76 |
17 |
7600 |
716.2 |
-6.0 |
0.638 |
3 |
0 |
0 |
0.277 |
13 |
|
S |
81 |
19 |
6818 |
◊ |
Q |
x,y,z |
1_555 |
75 |
17 |
7983 |
712.9 |
-6.3 |
0.626 |
3 |
0 |
0 |
0.277 |
14 |
|
O |
78 |
18 |
6990 |
◊ |
M |
x,y,z |
1_555 |
74 |
18 |
8073 |
709.4 |
-7.3 |
0.454 |
3 |
0 |
0 |
0.277 |
15 |
|
G |
81 |
19 |
7066 |
◊ |
E |
x,y,z |
1_555 |
77 |
18 |
7702 |
708.4 |
-5.5 |
0.674 |
3 |
0 |
0 |
0.277 |
16 |
|
K |
81 |
19 |
6899 |
◊ |
I |
x,y,z |
1_555 |
73 |
17 |
7733 |
704.2 |
-6.1 |
0.616 |
3 |
0 |
0 |
0.277 |
Average: |
752.4 |
-7.7 |
0.494 |
4 |
0 |
0 |
0.277 |
4 |
17 |
|
F |
67 |
17 |
7173 |
◊ |
E |
x,y,z |
1_555 |
70 |
18 |
7702 |
653.9 |
-3.6 |
0.722 |
2 |
0 |
0 |
0.156 |
18 |
|
J |
70 |
17 |
7376 |
◊ |
I |
x,y,z |
1_555 |
71 |
17 |
7733 |
653.1 |
-3.3 |
0.800 |
1 |
0 |
0 |
0.156 |
19 |
|
D |
69 |
17 |
7019 |
◊ |
C |
x,y,z |
1_555 |
63 |
17 |
6839 |
634.5 |
-3.9 |
0.650 |
2 |
0 |
0 |
0.156 |
20 |
|
N |
64 |
17 |
7038 |
◊ |
M |
x,y,z |
1_555 |
64 |
17 |
8073 |
626.6 |
-5.3 |
0.629 |
0 |
0 |
0 |
0.156 |
21 |
|
L |
69 |
18 |
6991 |
◊ |
K |
x,y,z |
1_555 |
69 |
17 |
6899 |
625.4 |
-5.7 |
0.519 |
0 |
0 |
0 |
0.156 |
22 |
|
R |
64 |
16 |
7189 |
◊ |
Q |
x,y,z |
1_555 |
66 |
17 |
7983 |
624.3 |
-4.9 |
0.667 |
1 |
0 |
0 |
0.156 |
23 |
|
B |
69 |
17 |
7287 |
◊ |
A |
x,y,z |
1_555 |
68 |
17 |
7600 |
611.9 |
-5.4 |
0.597 |
1 |
0 |
0 |
0.156 |
24 |
|
T |
64 |
17 |
7035 |
◊ |
S |
x,y,z |
1_555 |
63 |
18 |
6818 |
610.7 |
-4.0 |
0.609 |
1 |
0 |
0 |
0.156 |
25 |
|
H |
67 |
16 |
6706 |
◊ |
G |
x,y,z |
1_555 |
63 |
17 |
7066 |
584.5 |
-4.6 |
0.636 |
0 |
0 |
0 |
0.156 |
26 |
|
P |
58 |
15 |
7174 |
◊ |
O |
x,y,z |
1_555 |
65 |
18 |
6990 |
561.0 |
-4.4 |
0.560 |
0 |
0 |
0 |
0.156 |
Average: |
618.6 |
-4.5 |
0.639 |
1 |
0 |
0 |
0.156 |
5 |
27 |
|
Q |
37 |
10 |
7983 |
◊ |
G |
-x+1,y,-z |
2_655 |
39 |
12 |
7066 |
376.6 |
-4.8 |
0.407 |
2 |
0 |
0 |
0.076 |
28 |
|
K |
42 |
12 |
6899 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
35 |
10 |
7600 |
352.6 |
-4.2 |
0.422 |
3 |
1 |
0 |
0.076 |
29 |
|
O |
35 |
11 |
6990 |
◊ |
M |
-x+1,y,-z |
2_655 |
35 |
10 |
8073 |
346.9 |
-5.0 |
0.294 |
4 |
0 |
0 |
0.076 |
30 |
|
S |
31 |
11 |
6818 |
◊ |
E |
-x+1,y,-z |
2_655 |
33 |
10 |
7702 |
302.4 |
-4.4 |
0.354 |
2 |
0 |
0 |
0.076 |
31 |
|
I |
31 |
10 |
7733 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
31 |
10 |
6839 |
284.2 |
-3.4 |
0.494 |
2 |
0 |
0 |
0.076 |
Average: |
332.5 |
-4.4 |
0.394 |
3 |
0 |
0 |
0.076 |
6 |
32 |
|
B |
31 |
10 |
7287 |
◊ |
T |
x-1/2,y+1/2,z |
3_455 |
34 |
11 |
7035 |
293.9 |
-0.9 |
0.673 |
1 |
0 |
0 |
0.000 |
33 |
|
M |
26 |
7 |
8073 |
◊ |
G |
x,y,z |
1_555 |
27 |
10 |
7066 |
215.8 |
0.4 |
0.798 |
1 |
1 |
0 |
0.000 |
Average: |
254.9 |
-0.2 |
0.736 |
1 |
1 |
0 |
0.000 |
7 |
34 |
|
P |
31 |
11 |
7174 |
◊ |
R |
x,y-1,z |
1_545 |
38 |
13 |
7189 |
293.1 |
-2.9 |
0.514 |
1 |
2 |
0 |
0.000 |
35 |
|
O |
24 |
8 |
6990 |
◊ |
Q |
x,y-1,z |
1_545 |
24 |
7 |
7983 |
218.3 |
-0.9 |
0.670 |
1 |
0 |
0 |
0.000 |
Average: |
255.7 |
-1.9 |
0.592 |
1 |
1 |
0 |
0.000 |
8 |
36 |
|
L |
26 |
8 |
6991 |
◊ |
A |
x,y-1,z |
1_545 |
28 |
10 |
7600 |
261.6 |
-3.5 |
0.360 |
1 |
2 |
0 |
0.000 |
9 |
37 |
|
M |
18 |
4 |
8073 |
◊ |
G |
-x+1,y,-z |
2_655 |
31 |
7 |
7066 |
203.9 |
-2.4 |
0.377 |
2 |
2 |
0 |
0.000 |
38 |
|
O |
13 |
5 |
6990 |
◊ |
E |
-x+1,y-1,-z |
2_645 |
9 |
3 |
7702 |
105.1 |
-1.7 |
0.305 |
1 |
0 |
0 |
0.000 |
Average: |
154.5 |
-2.1 |
0.341 |
2 |
1 |
0 |
0.000 |
10 |
39 |
|
K |
22 |
8 |
6899 |
◊ |
E |
x,y-1,z |
1_545 |
24 |
7 |
7702 |
185.8 |
-0.6 |
0.723 |
0 |
0 |
0 |
0.000 |
11 |
40 |
|
J |
21 |
9 |
7376 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
7019 |
181.5 |
-0.7 |
0.664 |
3 |
0 |
0 |
0.000 |
12 |
41 |
|
J |
18 |
8 |
7376 |
◊ |
T |
x-1/2,y-1/2,z |
3_445 |
25 |
8 |
7035 |
180.6 |
-1.0 |
0.621 |
2 |
0 |
0 |
0.000 |
42 |
|
F |
17 |
6 |
7173 |
◊ |
D |
x,y,z |
1_555 |
20 |
9 |
7019 |
166.4 |
0.1 |
0.727 |
4 |
0 |
0 |
0.000 |
Average: |
173.5 |
-0.5 |
0.674 |
3 |
0 |
0 |
0.000 |
13 |
43 |
|
L |
20 |
5 |
6991 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
6 |
7019 |
178.1 |
-4.2 |
0.165 |
0 |
0 |
0 |
0.027 |
44 |
|
P |
19 |
6 |
7174 |
◊ |
P |
-x+1,y,-z+1 |
2_656 |
19 |
6 |
7174 |
162.2 |
-4.4 |
0.138 |
0 |
0 |
0 |
0.027 |
45 |
|
T |
19 |
5 |
7035 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
16 |
4 |
6706 |
141.1 |
-3.4 |
0.226 |
0 |
0 |
0 |
0.027 |
Average: |
160.5 |
-4.0 |
0.176 |
0 |
0 |
0 |
0.027 |
14 |
46 |
|
Q |
15 |
5 |
7983 |
◊ |
G |
x,y,z |
1_555 |
16 |
5 |
7066 |
159.4 |
-1.7 |
0.476 |
2 |
0 |
0 |
0.000 |
47 |
|
A |
16 |
5 |
7600 |
◊ |
O |
x-1/2,y+1/2,z |
3_455 |
14 |
5 |
6990 |
149.8 |
-1.1 |
0.482 |
2 |
0 |
0 |
0.000 |
Average: |
154.6 |
-1.4 |
0.479 |
2 |
0 |
0 |
0.000 |
15 |
48 |
|
O |
19 |
6 |
6990 |
◊ |
E |
x,y-1,z |
1_545 |
14 |
3 |
7702 |
156.8 |
0.0 |
0.708 |
4 |
1 |
0 |
0.000 |
49 |
|
I |
13 |
3 |
7733 |
◊ |
G |
x,y,z |
1_555 |
16 |
7 |
7066 |
120.2 |
-0.8 |
0.598 |
4 |
0 |
0 |
0.000 |
Average: |
138.5 |
-0.4 |
0.653 |
4 |
1 |
0 |
0.000 |
16 |
50 |
|
J |
19 |
7 |
7376 |
◊ |
S |
x-1/2,y-1/2,z |
3_445 |
16 |
6 |
6818 |
150.9 |
-1.4 |
0.510 |
0 |
0 |
0 |
0.000 |
51 |
|
F |
14 |
6 |
7173 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
6839 |
98.5 |
-1.1 |
0.403 |
0 |
0 |
0 |
0.000 |
Average: |
124.7 |
-1.3 |
0.456 |
0 |
0 |
0 |
0.000 |
17 |
52 |
|
L |
12 |
4 |
6991 |
◊ |
T |
x-1/2,y-1/2,z |
3_445 |
16 |
6 |
7035 |
140.5 |
-1.1 |
0.500 |
0 |
0 |
0 |
0.000 |
18 |
53 |
|
P |
16 |
6 |
7174 |
◊ |
N |
-x+1,y,-z+1 |
2_656 |
10 |
3 |
7038 |
127.3 |
-1.6 |
0.414 |
0 |
0 |
0 |
0.019 |
54 |
|
L |
15 |
4 |
6991 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
3 |
7287 |
96.5 |
-1.2 |
0.422 |
0 |
0 |
0 |
0.019 |
55 |
|
R |
10 |
2 |
7189 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
6706 |
96.4 |
-1.5 |
0.405 |
0 |
0 |
0 |
0.019 |
56 |
|
J |
9 |
2 |
7376 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
7019 |
85.4 |
-1.9 |
0.275 |
0 |
0 |
0 |
0.019 |
57 |
|
T |
10 |
4 |
7035 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
9 |
2 |
7173 |
83.7 |
-1.0 |
0.456 |
0 |
0 |
0 |
0.019 |
Average: |
97.8 |
-1.4 |
0.394 |
0 |
0 |
0 |
0.019 |
19 |
58 |
|
P |
14 |
6 |
7174 |
◊ |
E |
x,y-1,z |
1_545 |
16 |
6 |
7702 |
124.6 |
-1.5 |
0.457 |
1 |
0 |
0 |
0.000 |
20 |
59 |
|
T |
10 |
5 |
7035 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
9 |
4 |
7019 |
108.5 |
1.9 |
0.906 |
7 |
0 |
0 |
0.000 |
21 |
60 |
|
K |
10 |
2 |
6899 |
◊ |
Q |
-x+1,y-1,-z |
2_645 |
13 |
4 |
7983 |
98.1 |
0.6 |
0.786 |
0 |
2 |
0 |
0.000 |
22 |
61 |
|
P |
18 |
6 |
7174 |
◊ |
Q |
x,y-1,z |
1_545 |
16 |
7 |
7983 |
91.9 |
-0.1 |
0.737 |
1 |
0 |
0 |
0.000 |
23 |
62 |
|
A |
14 |
5 |
7600 |
◊ |
S |
x-1/2,y+1/2,z |
3_455 |
13 |
6 |
6818 |
86.6 |
-0.6 |
0.585 |
0 |
0 |
0 |
0.000 |
63 |
|
N |
9 |
4 |
7038 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
6706 |
61.6 |
-0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
Average: |
74.1 |
-0.4 |
0.607 |
0 |
0 |
0 |
0.000 |
24 |
64 |
|
O |
10 |
6 |
6990 |
◊ |
O |
-x+1,y,-z |
2_655 |
10 |
6 |
6990 |
83.2 |
1.1 |
0.826 |
1 |
0 |
0 |
0.000 |
25 |
65 |
|
M |
7 |
3 |
8073 |
◊ |
K |
x,y,z |
1_555 |
10 |
5 |
6899 |
80.7 |
-0.1 |
0.680 |
1 |
0 |
0 |
0.000 |
26 |
66 |
|
I |
10 |
4 |
7733 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
6839 |
77.6 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
27 |
67 |
|
R |
9 |
2 |
7189 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
7 |
2 |
7019 |
70.8 |
-1.0 |
0.432 |
1 |
0 |
0 |
0.000 |
68 |
|
T |
7 |
2 |
7035 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
8 |
1 |
7287 |
65.8 |
-1.4 |
0.312 |
0 |
0 |
0 |
0.000 |
Average: |
68.3 |
-1.2 |
0.372 |
1 |
0 |
0 |
0.000 |
28 |
69 |
|
[SO4]N:2007 |
5 |
1 |
185 |
f |
N |
x,y,z |
1_555 |
7 |
3 |
7038 |
66.1 |
-7.3 |
0.908 |
2 |
0 |
0 |
0.493 |
29 |
70 |
|
T |
6 |
2 |
7035 |
◊ |
M |
x,y,z |
1_555 |
8 |
5 |
8073 |
64.8 |
1.3 |
0.851 |
2 |
0 |
0 |
0.000 |
30 |
71 |
|
[SO4]E:2003 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
7173 |
64.2 |
-7.3 |
0.895 |
3 |
0 |
0 |
0.233 |
31 |
72 |
|
G |
10 |
4 |
7066 |
◊ |
G |
-x+1,y,-z |
2_655 |
10 |
4 |
7066 |
63.9 |
-1.8 |
0.335 |
0 |
0 |
0 |
0.000 |
73 |
|
O |
3 |
1 |
6990 |
◊ |
K |
-x+1,y,-z |
2_655 |
1 |
1 |
6899 |
8.3 |
-0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
Average: |
36.1 |
-0.9 |
0.372 |
0 |
0 |
0 |
0.000 |
32 |
74 |
|
[SO4]Q:2009 |
5 |
1 |
185 |
f |
Q |
x,y,z |
1_555 |
7 |
3 |
7983 |
63.6 |
-6.2 |
0.969 |
4 |
0 |
0 |
0.203 |
33 |
75 |
|
[SO4]S:2010 |
5 |
1 |
183 |
f |
R |
x,y,z |
1_555 |
7 |
3 |
7189 |
62.9 |
-5.9 |
0.977 |
5 |
0 |
0 |
0.217 |
76 |
|
[SO4]B:2001 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
7287 |
62.3 |
-6.3 |
0.963 |
2 |
0 |
0 |
0.217 |
Average: |
62.6 |
-6.1 |
0.970 |
4 |
0 |
0 |
0.217 |
34 |
77 |
|
[SO4]E:2004 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
7702 |
62.8 |
-6.2 |
0.980 |
5 |
0 |
0 |
0.212 |
35 |
78 |
|
[SO4]A:2002 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
7019 |
62.0 |
-6.3 |
0.925 |
2 |
0 |
0 |
0.105 |
36 |
79 |
|
[SO4]M:2008 |
5 |
1 |
184 |
f |
P |
x,y,z |
1_555 |
8 |
3 |
7174 |
61.2 |
-6.4 |
0.921 |
1 |
0 |
0 |
0.100 |
37 |
80 |
|
[SO4]I:2005 |
5 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
7733 |
60.6 |
-6.0 |
0.932 |
2 |
0 |
0 |
0.099 |
38 |
81 |
|
[SO4]J:2006 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
7376 |
60.6 |
-6.3 |
0.966 |
3 |
0 |
0 |
0.219 |
39 |
82 |
|
[SO4]A:2002 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7600 |
60.2 |
-5.9 |
0.971 |
3 |
0 |
0 |
0.268 |
40 |
83 |
|
[SO4]B:2001 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6839 |
60.2 |
-6.0 |
0.953 |
1 |
0 |
0 |
0.094 |
41 |
84 |
|
[SO4]I:2005 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
6991 |
60.2 |
-6.3 |
0.935 |
2 |
0 |
0 |
0.103 |
42 |
85 |
|
[SO4]J:2006 |
5 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
8 |
3 |
6899 |
60.0 |
-6.4 |
0.854 |
1 |
0 |
0 |
0.098 |
43 |
86 |
|
[SO4]S:2010 |
5 |
1 |
183 |
◊ |
S |
x,y,z |
1_555 |
7 |
3 |
6818 |
59.1 |
-6.3 |
0.937 |
1 |
0 |
0 |
0.099 |
44 |
87 |
|
[SO4]Q:2009 |
5 |
1 |
185 |
◊ |
T |
x,y,z |
1_555 |
6 |
3 |
7035 |
58.5 |
-6.4 |
0.875 |
1 |
0 |
0 |
0.099 |
45 |
88 |
|
[SO4]N:2007 |
5 |
1 |
185 |
◊ |
O |
x,y,z |
1_555 |
8 |
3 |
6990 |
57.8 |
-5.8 |
0.885 |
2 |
0 |
0 |
0.095 |
46 |
89 |
|
[SO4]M:2008 |
5 |
1 |
184 |
◊ |
M |
x,y,z |
1_555 |
6 |
3 |
8073 |
57.7 |
-6.2 |
0.861 |
1 |
0 |
0 |
0.094 |
47 |
90 |
|
[SO4]E:2004 |
5 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
6706 |
57.1 |
-6.0 |
0.878 |
1 |
0 |
0 |
0.092 |
48 |
91 |
|
[SO4]E:2003 |
5 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
7066 |
57.0 |
-5.8 |
0.847 |
1 |
0 |
0 |
0.090 |
49 |
92 |
|
K |
8 |
3 |
6899 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
7600 |
53.4 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
50 |
93 |
|
R |
6 |
2 |
7189 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
7066 |
53.1 |
0.8 |
0.858 |
2 |
1 |
0 |
0.000 |
94 |
|
B |
6 |
2 |
7287 |
◊ |
O |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
6990 |
52.9 |
0.3 |
0.701 |
1 |
1 |
0 |
0.000 |
Average: |
53.0 |
0.5 |
0.779 |
2 |
1 |
0 |
0.000 |
51 |
95 |
|
B |
4 |
3 |
7287 |
◊ |
P |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
7174 |
44.9 |
-0.6 |
0.440 |
0 |
0 |
0 |
0.000 |
52 |
96 |
|
R |
8 |
2 |
7189 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
6706 |
42.2 |
-1.1 |
0.360 |
0 |
0 |
0 |
0.000 |
53 |
97 |
|
[SO4]N:2007 |
4 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
4 |
2 |
8073 |
34.9 |
-3.2 |
0.968 |
2 |
0 |
0 |
0.059 |
54 |
98 |
|
[SO4]E:2003 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
7702 |
34.0 |
-3.0 |
0.972 |
2 |
0 |
0 |
0.055 |
55 |
99 |
|
[SO4]M:2008 |
4 |
1 |
184 |
◊ |
O |
x,y,z |
1_555 |
4 |
2 |
6990 |
33.3 |
-3.1 |
0.967 |
2 |
0 |
0 |
0.057 |
100 |
|
[SO4]Q:2009 |
4 |
1 |
185 |
◊ |
S |
x,y,z |
1_555 |
4 |
2 |
6818 |
32.5 |
-2.9 |
0.972 |
2 |
0 |
0 |
0.057 |
Average: |
32.9 |
-3.0 |
0.970 |
2 |
0 |
0 |
0.057 |
56 |
101 |
|
L |
4 |
2 |
6991 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
1 |
6839 |
32.2 |
0.6 |
0.817 |
1 |
0 |
0 |
0.000 |
57 |
102 |
|
[SO4]B:2001 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7600 |
32.1 |
-2.6 |
0.979 |
1 |
0 |
0 |
0.044 |
58 |
103 |
|
D |
7 |
3 |
7019 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
7287 |
32.1 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
59 |
104 |
|
[SO4]J:2006 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
7733 |
31.8 |
-3.1 |
0.974 |
3 |
0 |
0 |
0.063 |
60 |
105 |
|
[SO4]E:2004 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
7173 |
31.5 |
-2.8 |
0.977 |
1 |
0 |
0 |
0.046 |
61 |
106 |
|
[SO4]S:2010 |
4 |
1 |
183 |
◊ |
Q |
x,y,z |
1_555 |
4 |
2 |
7983 |
31.3 |
-2.6 |
0.979 |
1 |
0 |
0 |
0.044 |
62 |
107 |
|
[SO4]I:2005 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
7376 |
30.5 |
-2.9 |
0.973 |
2 |
0 |
0 |
0.054 |
63 |
108 |
|
[SO4]A:2002 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7287 |
30.2 |
-2.7 |
0.962 |
2 |
0 |
0 |
0.053 |
64 |
109 |
|
[SO4]E:2004 |
3 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
7066 |
29.3 |
-2.7 |
0.974 |
2 |
0 |
0 |
0.052 |
65 |
110 |
|
[SO4]I:2005 |
3 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
6899 |
29.0 |
-2.7 |
0.973 |
2 |
0 |
0 |
0.051 |
66 |
111 |
|
K |
4 |
2 |
6899 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
7376 |
28.6 |
1.2 |
0.909 |
0 |
0 |
0 |
0.000 |
112 |
|
T |
3 |
1 |
7035 |
◊ |
Q |
x,y,z |
1_555 |
5 |
3 |
7983 |
25.0 |
0.7 |
0.854 |
0 |
0 |
0 |
0.000 |
113 |
|
H |
3 |
1 |
6706 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7702 |
24.0 |
0.5 |
0.831 |
0 |
0 |
0 |
0.000 |
114 |
|
C |
3 |
2 |
6839 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7287 |
23.5 |
0.7 |
0.870 |
0 |
0 |
0 |
0.000 |
115 |
|
P |
2 |
1 |
7174 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
8073 |
22.5 |
0.4 |
0.808 |
0 |
0 |
0 |
0.000 |
116 |
|
D |
2 |
1 |
7019 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7600 |
21.3 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
117 |
|
L |
2 |
1 |
6991 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
7733 |
20.9 |
0.9 |
0.892 |
0 |
0 |
0 |
0.000 |
118 |
|
S |
4 |
2 |
6818 |
◊ |
R |
x,y,z |
1_555 |
3 |
2 |
7189 |
18.9 |
0.7 |
0.863 |
0 |
0 |
0 |
0.000 |
119 |
|
G |
3 |
1 |
7066 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7173 |
18.9 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
120 |
|
O |
2 |
1 |
6990 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
7038 |
13.4 |
0.3 |
0.814 |
0 |
0 |
0 |
0.000 |
Average: |
21.7 |
0.6 |
0.845 |
0 |
0 |
0 |
0.000 |
67 |
121 |
|
[SO4]B:2001 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7019 |
28.0 |
-2.6 |
0.972 |
2 |
0 |
0 |
0.050 |
122 |
|
[SO4]S:2010 |
3 |
1 |
183 |
◊ |
T |
x,y,z |
1_555 |
2 |
1 |
7035 |
26.8 |
-2.3 |
0.977 |
1 |
0 |
0 |
0.050 |
Average: |
27.4 |
-2.4 |
0.975 |
2 |
0 |
0 |
0.050 |
68 |
123 |
|
[SO4]A:2002 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6839 |
26.7 |
-2.6 |
0.976 |
1 |
0 |
0 |
0.044 |
69 |
124 |
|
[SO4]M:2008 |
4 |
1 |
184 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
7038 |
26.0 |
-2.4 |
0.985 |
1 |
0 |
0 |
0.040 |
70 |
125 |
|
[SO4]E:2003 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
6706 |
25.9 |
-2.4 |
0.988 |
1 |
0 |
0 |
0.040 |
71 |
126 |
|
[SO4]Q:2009 |
3 |
1 |
185 |
◊ |
R |
x,y,z |
1_555 |
3 |
2 |
7189 |
25.7 |
-2.5 |
0.970 |
1 |
0 |
0 |
0.042 |
72 |
127 |
|
[SO4]N:2007 |
3 |
1 |
185 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
7174 |
25.7 |
-2.1 |
0.984 |
1 |
0 |
0 |
0.036 |
73 |
128 |
|
[SO4]J:2006 |
3 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
6991 |
24.8 |
-2.7 |
0.962 |
1 |
0 |
0 |
0.045 |
74 |
129 |
|
M |
3 |
1 |
8073 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
6706 |
20.4 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
75 |
130 |
|
L |
4 |
2 |
6991 |
◊ |
F |
x,y-1,z |
1_545 |
6 |
5 |
7173 |
20.4 |
-0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
76 |
131 |
|
D |
1 |
1 |
7019 |
◊ |
Q |
x-1/2,y-1/2,z |
3_445 |
2 |
2 |
7983 |
14.7 |
-0.4 |
0.256 |
0 |
0 |
0 |
0.000 |
77 |
132 |
|
I |
2 |
2 |
7733 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
6706 |
13.7 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
78 |
133 |
|
A |
3 |
2 |
7600 |
◊ |
T |
x-1/2,y+1/2,z |
3_455 |
4 |
3 |
7035 |
12.2 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
79 |
134 |
|
N |
2 |
1 |
7038 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
6991 |
11.8 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.000 |
80 |
135 |
|
P |
1 |
1 |
7174 |
◊ |
F |
-x+1,y-1,-z+1 |
2_646 |
1 |
1 |
7173 |
10.0 |
-0.3 |
0.239 |
0 |
0 |
0 |
0.000 |
81 |
136 |
|
T |
2 |
1 |
7035 |
◊ |
J |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
7376 |
9.2 |
-0.2 |
0.364 |
0 |
0 |
0 |
0.000 |
82 |
137 |
|
S |
2 |
2 |
6818 |
◊ |
I |
-x+1,y,-z |
2_655 |
1 |
1 |
7733 |
5.4 |
-0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
83 |
138 |
|
I |
1 |
1 |
7733 |
◊ |
S |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
6818 |
4.1 |
0.1 |
0.798 |
0 |
0 |
0 |
0.000 |
84 |
139 |
|
S |
1 |
1 |
6818 |
◊ |
G |
-x+1,y,-z |
2_655 |
1 |
1 |
7066 |
3.3 |
-0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
140 |
|
K |
1 |
1 |
6899 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
6839 |
1.9 |
0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.001 |
85 |
141 |
|
J |
1 |
1 |
7376 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6839 |
0.4 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
86 |
142 |
|
L |
1 |
1 |
6991 |
◊ |
E |
x,y-1,z |
1_545 |
1 |
1 |
7702 |
0.3 |
0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
87 |
143 |
|
G |
1 |
1 |
7066 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6839 |
0.1 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
|