| ## |
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 |
|
D |
135 |
35 |
5316 |
◊ |
C |
x,y,z |
1_555 |
137 |
37 |
5483 |
1410.8 |
-21.3 |
0.425 |
11 |
4 |
0 |
1.000 |
2 |
|
B |
136 |
35 |
5216 |
◊ |
A |
x,y,z |
1_555 |
144 |
38 |
5149 |
1365.9 |
-22.2 |
0.385 |
12 |
4 |
0 |
1.000 |
| Average: |
1388.4 |
-21.7 |
0.405 |
12 |
4 |
0 |
1.000 |
| 2 |
3 |
|
B |
52 |
16 |
5216 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
48 |
14 |
5483 |
475.2 |
-7.9 |
0.412 |
5 |
0 |
0 |
0.069 |
| 3 |
4 |
|
[OKN]F:11 |
18 |
1 |
477 |
◊ |
D |
x,y,z |
1_555 |
32 |
11 |
5316 |
193.2 |
-0.1 |
0.751 |
3 |
0 |
0 |
0.012 |
| 4 |
5 |
|
[GS]E:14 |
20 |
1 |
478 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
5149 |
173.1 |
3.2 |
0.821 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[PST]F:12 |
18 |
1 |
484 |
◊ |
D |
x,y,z |
1_555 |
33 |
9 |
5316 |
171.2 |
-0.5 |
0.663 |
3 |
0 |
0 |
0.016 |
| 6 |
7 |
|
[PST]F:10 |
16 |
1 |
476 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
5316 |
158.7 |
-0.4 |
0.701 |
2 |
0 |
0 |
0.011 |
| 7 |
8 |
|
[OKT]E:2 |
15 |
1 |
486 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
5216 |
157.9 |
0.6 |
0.649 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[AS]E:15 |
16 |
1 |
481 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
5149 |
148.8 |
2.5 |
0.691 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[OKQ]F:1 |
14 |
1 |
422 |
◊ |
C |
x,y,z |
1_555 |
22 |
5 |
5483 |
140.8 |
-1.1 |
0.418 |
2 |
0 |
0 |
0.017 |
| 10 |
11 |
|
[PST]E:12 |
14 |
1 |
456 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
5149 |
130.7 |
-0.3 |
0.719 |
0 |
0 |
0 |
0.008 |
| 11 |
12 |
|
[RFJ]F:3 |
10 |
1 |
509 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
5483 |
130.3 |
-1.7 |
0.468 |
1 |
0 |
0 |
0.018 |
| 12 |
13 |
|
[GS]F:7 |
17 |
1 |
501 |
cf |
[AS]F:6 |
x,y,z |
1_555 |
15 |
1 |
489 |
127.3 |
1.8 |
0.525 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[OKN]F:8 |
15 |
1 |
484 |
cf |
[GS]F:7 |
x,y,z |
1_555 |
15 |
1 |
501 |
126.4 |
1.4 |
0.603 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[GS]E:13 |
16 |
1 |
480 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
5483 |
124.6 |
0.3 |
0.482 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[GS]E:13 |
19 |
1 |
480 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
5149 |
124.1 |
-1.9 |
0.455 |
4 |
0 |
0 |
0.110 |
| 16 |
17 |
|
[AS]E:6 |
15 |
1 |
470 |
cf |
[OKT]E:5 |
x,y,z |
1_555 |
15 |
1 |
465 |
123.9 |
-0.1 |
0.437 |
1 |
0 |
0 |
0.010 |
18 |
|
[AS]F:6 |
15 |
1 |
489 |
cf |
[OKT]F:5 |
x,y,z |
1_555 |
17 |
1 |
469 |
118.9 |
0.7 |
0.585 |
1 |
0 |
0 |
0.010 |
| Average: |
121.4 |
0.3 |
0.511 |
1 |
0 |
0 |
0.010 |
| 17 |
19 |
|
[GS]E:14 |
16 |
1 |
478 |
cf |
[AS]E:15 |
x,y,z |
1_555 |
13 |
1 |
481 |
122.0 |
2.1 |
0.508 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[OKQ]F:4 |
16 |
1 |
475 |
cf |
[OKT]F:5 |
x,y,z |
1_555 |
15 |
1 |
469 |
121.8 |
0.9 |
0.576 |
1 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[OKT]F:2 |
12 |
1 |
464 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
5483 |
119.8 |
0.2 |
0.742 |
1 |
0 |
0 |
0.002 |
| 20 |
22 |
|
[GS]E:7 |
16 |
1 |
492 |
cf |
[AS]E:6 |
x,y,z |
1_555 |
16 |
1 |
470 |
115.2 |
2.6 |
0.511 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[OKN]E:8 |
16 |
1 |
465 |
cf |
[GS]E:7 |
x,y,z |
1_555 |
16 |
1 |
492 |
114.9 |
0.6 |
0.570 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[OKT]E:16 |
12 |
1 |
403 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
5149 |
114.2 |
-1.3 |
0.589 |
0 |
0 |
0 |
0.039 |
| 23 |
25 |
|
[OKQ]E:4 |
17 |
1 |
476 |
cf |
[RFJ]E:3 |
x,y,z |
1_555 |
16 |
1 |
511 |
113.2 |
2.0 |
0.664 |
1 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[GS]F:13 |
18 |
1 |
484 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
5316 |
112.1 |
0.5 |
0.457 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
D |
9 |
4 |
5316 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
5216 |
110.5 |
0.8 |
0.791 |
2 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[OKQ]F:4 |
15 |
1 |
475 |
cf |
[RFJ]F:3 |
x,y,z |
1_555 |
20 |
1 |
509 |
109.8 |
1.4 |
0.605 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[PST]E:12 |
13 |
1 |
456 |
cf |
[OKN]E:11 |
x,y,z |
1_555 |
14 |
1 |
459 |
109.3 |
1.6 |
0.713 |
0 |
0 |
0 |
0.000 |
30 |
|
[PST]F:12 |
16 |
1 |
484 |
cf |
[OKN]F:11 |
x,y,z |
1_555 |
14 |
1 |
477 |
102.6 |
1.4 |
0.719 |
0 |
0 |
0 |
0.000 |
| Average: |
106.0 |
1.5 |
0.716 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[OKT]E:17 |
10 |
1 |
491 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
5149 |
108.3 |
-3.1 |
0.397 |
1 |
0 |
0 |
0.106 |
| 29 |
32 |
|
A |
14 |
4 |
5149 |
x |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
9 |
3 |
5149 |
108.1 |
-1.6 |
0.446 |
1 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[OKQ]E:4 |
8 |
1 |
476 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
5216 |
106.7 |
-0.9 |
0.531 |
1 |
0 |
0 |
0.019 |
| 31 |
34 |
|
[OKQ]E:4 |
16 |
1 |
476 |
cf |
[OKT]E:5 |
x,y,z |
1_555 |
14 |
1 |
465 |
106.5 |
0.1 |
0.547 |
1 |
0 |
0 |
0.009 |
| 32 |
35 |
|
[OKQ]F:4 |
14 |
1 |
475 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
5483 |
105.4 |
-0.3 |
0.341 |
0 |
0 |
0 |
0.003 |
| 33 |
36 |
|
[RFJ]F:3 |
18 |
1 |
509 |
cf |
[OKT]F:2 |
x,y,z |
1_555 |
16 |
1 |
464 |
103.9 |
0.8 |
0.663 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[RFJ]E:3 |
11 |
1 |
511 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
5216 |
99.4 |
-1.8 |
0.511 |
0 |
0 |
0 |
0.025 |
| 35 |
38 |
|
[PST]E:10 |
10 |
1 |
451 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
5483 |
97.3 |
0.8 |
0.733 |
2 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[OKN]E:9 |
13 |
1 |
463 |
f |
[OKN]E:11 |
x,y,z |
1_555 |
15 |
1 |
459 |
97.1 |
2.2 |
0.731 |
0 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[OKN]E:8 |
9 |
1 |
465 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
13 |
4 |
5216 |
90.8 |
-0.8 |
0.567 |
2 |
0 |
0 |
0.022 |
| 38 |
41 |
|
[OKT]E:5 |
11 |
1 |
465 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
5216 |
90.8 |
-0.6 |
0.486 |
0 |
0 |
0 |
0.008 |
| 39 |
42 |
|
[PST]E:10 |
8 |
1 |
451 |
cf |
[OKN]E:11 |
x,y,z |
1_555 |
7 |
1 |
459 |
89.6 |
-1.3 |
0.459 |
0 |
0 |
0 |
0.040 |
| 40 |
43 |
|
[OKN]E:9 |
14 |
1 |
463 |
cf |
[OKN]E:8 |
x,y,z |
1_555 |
13 |
1 |
465 |
86.9 |
0.7 |
0.641 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[GS]E:13 |
13 |
1 |
480 |
cf |
[PST]E:12 |
x,y,z |
1_555 |
10 |
1 |
456 |
84.3 |
0.1 |
0.539 |
3 |
0 |
0 |
0.036 |
| 42 |
45 |
|
[OKT]E:16 |
9 |
1 |
403 |
cf |
[OKT]E:17 |
x,y,z |
1_555 |
8 |
1 |
491 |
80.6 |
-2.1 |
0.541 |
0 |
0 |
0 |
0.063 |
| 43 |
46 |
|
[OKN]F:11 |
8 |
1 |
477 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
5216 |
79.1 |
-2.6 |
0.381 |
1 |
0 |
0 |
0.060 |
| 44 |
47 |
|
[OKT]E:2 |
7 |
1 |
486 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
5483 |
76.5 |
-0.7 |
0.613 |
1 |
0 |
0 |
0.009 |
| 45 |
48 |
|
[PST]E:10 |
12 |
1 |
451 |
cf |
[OKN]E:9 |
x,y,z |
1_555 |
9 |
1 |
463 |
75.5 |
1.0 |
0.672 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
[GS]E:7 |
7 |
1 |
492 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
8 |
3 |
5216 |
75.1 |
0.9 |
0.655 |
1 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[OKT]E:16 |
7 |
1 |
403 |
cf |
[AS]E:15 |
x,y,z |
1_555 |
8 |
1 |
481 |
69.8 |
-0.8 |
0.498 |
0 |
0 |
0 |
0.024 |
| 48 |
51 |
|
[OKQ]F:1 |
6 |
1 |
422 |
cf |
[OKT]F:2 |
x,y,z |
1_555 |
11 |
1 |
464 |
67.8 |
-0.4 |
0.394 |
0 |
0 |
0 |
0.012 |
| 49 |
52 |
|
[PST]F:10 |
13 |
1 |
476 |
◊ |
[RFJ]E:3 |
x,y,z |
1_555 |
12 |
1 |
511 |
67.5 |
2.1 |
0.761 |
0 |
0 |
0 |
0.000 |
| 50 |
53 |
|
[PST]F:12 |
4 |
1 |
484 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
5216 |
67.3 |
-1.6 |
0.414 |
0 |
0 |
0 |
0.032 |
| 51 |
54 |
|
[AS]E:15 |
6 |
1 |
481 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
5216 |
66.9 |
-1.8 |
0.314 |
1 |
0 |
0 |
0.032 |
| 52 |
55 |
|
[PST]F:10 |
8 |
1 |
476 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
5216 |
66.5 |
-1.9 |
0.334 |
0 |
0 |
0 |
0.038 |
| 53 |
56 |
|
[PST]F:12 |
8 |
1 |
484 |
cf |
[GS]F:13 |
x,y,z |
1_555 |
8 |
1 |
484 |
65.1 |
-0.3 |
0.463 |
0 |
0 |
0 |
0.006 |
| 54 |
57 |
|
[OKN]E:8 |
8 |
1 |
465 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
11 |
4 |
5149 |
62.0 |
-1.7 |
0.440 |
0 |
0 |
0 |
0.051 |
| 55 |
58 |
|
C |
7 |
3 |
5483 |
◊ |
B |
-y-1/2,x-1/2,z+3/4 |
3_445 |
11 |
3 |
5216 |
60.8 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
| 56 |
59 |
|
[GS]F:7 |
9 |
1 |
501 |
f |
[OKT]E:5 |
x,y,z |
1_555 |
9 |
1 |
465 |
60.7 |
1.7 |
0.645 |
0 |
0 |
0 |
0.000 |
60 |
|
[GS]E:7 |
8 |
1 |
492 |
f |
[OKT]F:5 |
x,y,z |
1_555 |
10 |
1 |
469 |
52.2 |
1.5 |
0.647 |
0 |
0 |
0 |
0.000 |
| Average: |
56.4 |
1.6 |
0.646 |
0 |
0 |
0 |
0.000 |
| 57 |
61 |
|
[PST]F:10 |
6 |
1 |
476 |
cf |
[OKN]F:11 |
x,y,z |
1_555 |
5 |
1 |
477 |
57.4 |
0.5 |
0.597 |
0 |
0 |
0 |
0.000 |
| 58 |
62 |
|
[AS]F:6 |
10 |
1 |
489 |
f |
[AS]E:6 |
x,y,z |
1_555 |
9 |
1 |
470 |
56.8 |
2.6 |
0.556 |
0 |
0 |
0 |
0.000 |
| 59 |
63 |
|
[PST]F:10 |
5 |
1 |
476 |
◊ |
[OKN]F:8 |
x,y,z |
1_555 |
10 |
1 |
484 |
56.7 |
0.4 |
0.597 |
0 |
0 |
0 |
0.000 |
| 60 |
64 |
|
[GS]F:13 |
4 |
1 |
484 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
5483 |
55.1 |
-2.1 |
0.284 |
1 |
0 |
0 |
0.021 |
| 61 |
65 |
|
[RFJ]E:3 |
9 |
1 |
511 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
5316 |
54.7 |
-0.7 |
0.548 |
2 |
0 |
0 |
0.013 |
| 62 |
66 |
|
D |
8 |
1 |
5316 |
x |
D |
-y-1/2,x-1/2,z-1/4 |
3_444 |
8 |
3 |
5316 |
54.5 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
| 63 |
67 |
|
[GS]E:13 |
6 |
1 |
480 |
f |
[OKQ]F:1 |
x,y,z |
1_555 |
6 |
1 |
422 |
54.4 |
-0.8 |
0.314 |
0 |
0 |
0 |
0.023 |
| 64 |
68 |
|
[OKT]E:17 |
6 |
1 |
491 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
5216 |
54.0 |
-0.5 |
0.593 |
0 |
0 |
0 |
0.007 |
| 65 |
69 |
|
[GS]F:7 |
4 |
1 |
501 |
f |
[OKQ]E:4 |
x,y,z |
1_555 |
5 |
1 |
476 |
53.0 |
0.8 |
0.500 |
2 |
0 |
0 |
0.002 |
| 66 |
70 |
|
[RFJ]E:3 |
4 |
1 |
511 |
cf |
[OKT]E:2 |
x,y,z |
1_555 |
7 |
1 |
486 |
52.4 |
-0.9 |
0.447 |
0 |
0 |
0 |
0.026 |
| 67 |
71 |
|
[GS]E:7 |
4 |
1 |
492 |
f |
[OKQ]F:4 |
x,y,z |
1_555 |
5 |
1 |
475 |
52.3 |
0.8 |
0.492 |
2 |
0 |
0 |
0.002 |
| 68 |
72 |
|
[OKN]E:9 |
3 |
1 |
463 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
14 |
3 |
5149 |
52.3 |
-2.2 |
0.282 |
0 |
0 |
0 |
0.064 |
| 69 |
73 |
|
[OKT]E:16 |
3 |
1 |
403 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
5216 |
51.7 |
-1.2 |
0.493 |
1 |
0 |
0 |
0.024 |
| 70 |
74 |
|
[GS]E:13 |
5 |
1 |
480 |
cf |
[GS]E:14 |
x,y,z |
1_555 |
5 |
1 |
478 |
51.6 |
0.3 |
0.446 |
0 |
0 |
0 |
0.000 |
| 71 |
75 |
|
[PST]E:12 |
3 |
1 |
456 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
5483 |
50.9 |
-2.6 |
0.234 |
0 |
0 |
0 |
0.021 |
| 72 |
76 |
|
[OKN]F:8 |
4 |
1 |
484 |
f |
[RFJ]E:3 |
x,y,z |
1_555 |
4 |
1 |
511 |
49.2 |
0.9 |
0.599 |
3 |
0 |
0 |
0.014 |
| 73 |
77 |
|
[AS]E:6 |
4 |
1 |
470 |
f |
[OKT]F:5 |
x,y,z |
1_555 |
5 |
1 |
469 |
47.8 |
0.9 |
0.551 |
2 |
0 |
0 |
0.008 |
78 |
|
[AS]F:6 |
3 |
1 |
489 |
f |
[OKT]E:5 |
x,y,z |
1_555 |
5 |
1 |
465 |
44.6 |
0.7 |
0.557 |
2 |
0 |
0 |
0.008 |
| Average: |
46.2 |
0.8 |
0.554 |
2 |
0 |
0 |
0.008 |
| 74 |
79 |
|
[PST]F:12 |
6 |
1 |
484 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5483 |
47.4 |
-0.7 |
0.573 |
1 |
0 |
0 |
0.009 |
| 75 |
80 |
|
[OKN]E:8 |
4 |
1 |
465 |
f |
[RFJ]F:3 |
x,y,z |
1_555 |
4 |
1 |
509 |
45.6 |
0.7 |
0.588 |
2 |
0 |
0 |
0.005 |
| 76 |
81 |
|
[OKT]E:5 |
3 |
1 |
465 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
5149 |
45.4 |
-2.0 |
0.286 |
0 |
0 |
0 |
0.059 |
| 77 |
82 |
|
[PST]E:12 |
5 |
1 |
456 |
f |
[OKT]F:2 |
x,y,z |
1_555 |
11 |
1 |
464 |
44.7 |
0.8 |
0.646 |
0 |
0 |
0 |
0.000 |
| 78 |
83 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
5149 |
44.6 |
-5.1 |
0.967 |
1 |
0 |
0 |
0.165 |
| 79 |
84 |
|
[OKN]E:9 |
7 |
1 |
463 |
f |
[RFJ]F:3 |
x,y,z |
1_555 |
9 |
1 |
509 |
44.0 |
1.1 |
0.643 |
0 |
0 |
0 |
0.000 |
| 80 |
85 |
|
A |
9 |
8 |
5149 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
9 |
8 |
5149 |
43.7 |
-1.3 |
0.512 |
0 |
0 |
0 |
0.019 |
| 81 |
86 |
|
[OKN]E:9 |
8 |
1 |
463 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
6 |
2 |
5216 |
43.7 |
-0.2 |
0.600 |
0 |
0 |
0 |
0.002 |
| 82 |
87 |
|
[OKN]F:8 |
6 |
1 |
484 |
f |
[OKQ]E:4 |
x,y,z |
1_555 |
5 |
1 |
476 |
43.0 |
1.1 |
0.596 |
0 |
0 |
0 |
0.000 |
| 83 |
88 |
|
[OKQ]E:4 |
6 |
1 |
476 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
5149 |
42.8 |
-1.3 |
0.394 |
0 |
0 |
0 |
0.038 |
| 84 |
89 |
|
[PST]E:10 |
5 |
1 |
451 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
7 |
3 |
5216 |
41.0 |
-0.3 |
0.598 |
0 |
0 |
0 |
0.004 |
| 85 |
90 |
|
[OKT]E:2 |
4 |
1 |
486 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
5316 |
40.8 |
-0.5 |
0.578 |
2 |
0 |
0 |
0.012 |
| 86 |
91 |
|
[OKN]E:11 |
7 |
1 |
459 |
f |
[OKT]F:2 |
x,y,z |
1_555 |
7 |
1 |
464 |
40.2 |
0.6 |
0.617 |
1 |
0 |
0 |
0.000 |
| 87 |
92 |
|
[GS]E:14 |
3 |
1 |
478 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5483 |
39.2 |
-1.8 |
0.269 |
0 |
0 |
0 |
0.015 |
| 88 |
93 |
|
[OKN]E:11 |
8 |
1 |
459 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
5483 |
38.5 |
1.2 |
0.746 |
0 |
0 |
0 |
0.000 |
| 89 |
94 |
|
[PST]F:12 |
3 |
1 |
484 |
◊ |
[OKT]E:2 |
x,y,z |
1_555 |
4 |
1 |
486 |
38.5 |
-2.1 |
0.298 |
0 |
0 |
0 |
0.029 |
| 90 |
95 |
|
[OKQ]F:4 |
2 |
1 |
475 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
5316 |
37.7 |
-0.0 |
0.328 |
1 |
0 |
0 |
0.004 |
| 91 |
96 |
|
[OKQ]F:1 |
4 |
1 |
422 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
5149 |
35.7 |
0.3 |
0.393 |
0 |
0 |
0 |
0.000 |
| 92 |
97 |
|
[RFJ]F:3 |
4 |
1 |
509 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
5316 |
34.9 |
-1.5 |
0.367 |
0 |
0 |
0 |
0.012 |
| 93 |
98 |
|
[RFJ]E:3 |
3 |
1 |
511 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
5483 |
33.6 |
-0.9 |
0.439 |
0 |
0 |
0 |
0.007 |
| 94 |
99 |
|
[NA]E:101 |
1 |
1 |
125 |
f |
[GS]E:13 |
x,y,z |
1_555 |
7 |
1 |
480 |
31.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.106 |
| 95 |
100 |
|
[OKN]E:8 |
2 |
1 |
465 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
4 |
1 |
185 |
31.1 |
-4.1 |
0.591 |
1 |
0 |
0 |
0.136 |
| 96 |
101 |
|
D |
2 |
1 |
5316 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
7 |
3 |
5483 |
30.0 |
0.4 |
0.791 |
0 |
0 |
0 |
0.000 |
| 97 |
102 |
|
A |
3 |
1 |
5149 |
◊ |
[AS]E:15 |
-y-1/2,x-1/2,z-1/4 |
3_444 |
5 |
1 |
481 |
28.7 |
0.8 |
0.626 |
0 |
0 |
0 |
0.000 |
| 98 |
103 |
|
[NA]E:101 |
1 |
1 |
125 |
f |
[GS]E:14 |
x,y,z |
1_555 |
6 |
1 |
478 |
28.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.084 |
| 99 |
104 |
|
[OKN]E:8 |
5 |
1 |
465 |
f |
[OKQ]F:4 |
x,y,z |
1_555 |
5 |
1 |
475 |
27.6 |
0.6 |
0.522 |
0 |
0 |
0 |
0.000 |
| 100 |
105 |
|
[NA]E:101 |
1 |
1 |
125 |
f |
[OKQ]F:1 |
x,y,z |
1_555 |
4 |
1 |
422 |
27.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.065 |
| 101 |
106 |
|
[GS]E:7 |
5 |
1 |
492 |
f |
[RFJ]F:3 |
x,y,z |
1_555 |
5 |
1 |
509 |
26.8 |
0.6 |
0.520 |
0 |
0 |
0 |
0.000 |
| 102 |
107 |
|
[OKN]E:9 |
3 |
1 |
463 |
f |
[OKT]F:2 |
x,y,z |
1_555 |
3 |
1 |
464 |
26.4 |
-0.3 |
0.449 |
1 |
0 |
0 |
0.023 |
| 103 |
108 |
|
[NA]E:101 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
5149 |
26.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.092 |
| 104 |
109 |
|
D |
3 |
1 |
5316 |
◊ |
D |
-y,-x,-z+3/2 |
8_556 |
3 |
1 |
5316 |
26.1 |
-0.8 |
0.401 |
0 |
0 |
0 |
0.000 |
| 105 |
110 |
|
[OKN]E:11 |
4 |
1 |
459 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
5149 |
24.0 |
-0.5 |
0.345 |
0 |
0 |
0 |
0.014 |
| 106 |
111 |
|
[OKN]E:9 |
4 |
1 |
463 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5483 |
23.6 |
0.2 |
0.573 |
0 |
0 |
0 |
0.000 |
| 107 |
112 |
|
[PST]E:12 |
6 |
1 |
456 |
f |
[OKQ]F:1 |
x,y,z |
1_555 |
1 |
1 |
422 |
22.8 |
-0.9 |
0.343 |
0 |
0 |
0 |
0.026 |
| 108 |
113 |
|
[GS]F:13 |
4 |
1 |
484 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
5216 |
22.4 |
-0.0 |
0.366 |
0 |
0 |
0 |
0.000 |
| 109 |
114 |
|
[OKT]F:2 |
1 |
1 |
464 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
5149 |
21.7 |
-1.2 |
0.307 |
0 |
0 |
0 |
0.035 |
| 110 |
115 |
|
[GS]F:7 |
2 |
1 |
501 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
5216 |
20.9 |
-0.1 |
0.366 |
0 |
0 |
0 |
0.001 |
| 111 |
116 |
|
[GS]F:13 |
2 |
1 |
484 |
◊ |
D |
-y-1/2,x-1/2,z-1/4 |
3_444 |
2 |
1 |
5316 |
20.8 |
0.5 |
0.583 |
0 |
0 |
0 |
0.000 |
| 112 |
117 |
|
[AS]E:6 |
1 |
1 |
470 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
5149 |
20.3 |
-0.2 |
0.370 |
0 |
0 |
0 |
0.006 |
| 113 |
118 |
|
[GS]F:13 |
2 |
1 |
484 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
3 |
1 |
5483 |
20.1 |
0.5 |
0.547 |
0 |
0 |
0 |
0.000 |
| 114 |
119 |
|
[GS]E:7 |
3 |
1 |
492 |
◊ |
[GS]E:7 |
-y,-x,-z+1/2 |
8_555 |
3 |
1 |
492 |
19.3 |
-1.6 |
0.263 |
0 |
0 |
0 |
0.023 |
| 115 |
120 |
|
C |
2 |
1 |
5483 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
4 |
2 |
5216 |
18.5 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
| 116 |
121 |
|
[AS]E:6 |
2 |
1 |
470 |
f |
[OKQ]F:4 |
x,y,z |
1_555 |
3 |
1 |
475 |
17.5 |
0.3 |
0.400 |
0 |
0 |
0 |
0.000 |
| 117 |
122 |
|
[GS]E:7 |
1 |
1 |
492 |
◊ |
[AS]E:6 |
-y,-x,-z+1/2 |
8_555 |
3 |
1 |
470 |
16.8 |
-1.1 |
0.167 |
0 |
0 |
0 |
0.034 |
| 118 |
123 |
|
[OKN]F:11 |
4 |
1 |
477 |
◊ |
[OKT]E:2 |
x,y,z |
1_555 |
1 |
1 |
486 |
16.1 |
-0.6 |
0.332 |
0 |
0 |
0 |
0.009 |
| 119 |
124 |
|
[OKQ]F:1 |
1 |
1 |
422 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5216 |
15.7 |
-0.6 |
0.341 |
0 |
0 |
0 |
0.009 |
| 120 |
125 |
|
[OKN]E:11 |
1 |
1 |
459 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
3 |
1 |
5149 |
15.0 |
0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
| 121 |
126 |
|
[OKT]F:5 |
2 |
1 |
469 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
2 |
1 |
5216 |
14.5 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
| 122 |
127 |
|
[GS]E:13 |
1 |
1 |
480 |
f |
[OKT]F:2 |
x,y,z |
1_555 |
3 |
1 |
464 |
14.5 |
-1.0 |
0.232 |
0 |
0 |
0 |
0.031 |
| 123 |
128 |
|
[GS]F:13 |
1 |
1 |
484 |
◊ |
[OKT]E:2 |
x,y,z |
1_555 |
1 |
1 |
486 |
14.5 |
-1.2 |
0.185 |
0 |
0 |
0 |
0.017 |
| 124 |
129 |
|
[RFJ]F:3 |
1 |
1 |
509 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
3 |
1 |
185 |
13.7 |
-1.5 |
0.674 |
0 |
0 |
0 |
0.045 |
| 125 |
130 |
|
[OKQ]F:1 |
4 |
1 |
422 |
f |
[RFJ]E:3 |
x,y,z |
1_555 |
1 |
1 |
511 |
13.3 |
-0.7 |
0.259 |
0 |
0 |
0 |
0.020 |
| 126 |
131 |
|
[PST]E:12 |
4 |
1 |
456 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
2 |
1 |
185 |
13.0 |
-1.6 |
0.751 |
0 |
0 |
0 |
0.046 |
| 127 |
132 |
|
[GS]E:14 |
1 |
1 |
478 |
f |
[OKQ]F:1 |
x,y,z |
1_555 |
2 |
1 |
422 |
12.6 |
-0.3 |
0.276 |
0 |
0 |
0 |
0.010 |
| 128 |
133 |
|
[GS]E:7 |
3 |
1 |
492 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.3 |
-1.5 |
0.557 |
0 |
0 |
0 |
0.044 |
| 129 |
134 |
|
[OKT]F:2 |
2 |
1 |
464 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
1 |
1 |
185 |
11.9 |
-1.6 |
0.599 |
0 |
0 |
0 |
0.048 |
| 130 |
135 |
|
[OKN]F:8 |
3 |
1 |
484 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5216 |
11.3 |
0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
| 131 |
136 |
|
[OKN]E:9 |
2 |
1 |
463 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
3 |
1 |
185 |
11.0 |
-1.4 |
0.657 |
0 |
0 |
0 |
0.042 |
| 132 |
137 |
|
[OKN]E:8 |
1 |
1 |
465 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5483 |
8.4 |
-0.0 |
0.379 |
0 |
0 |
0 |
0.000 |
| 133 |
138 |
|
[OKN]F:11 |
1 |
1 |
477 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5483 |
7.8 |
0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| 134 |
139 |
|
[GS]E:7 |
2 |
1 |
492 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
3 |
2 |
5149 |
7.7 |
-0.3 |
0.416 |
0 |
0 |
0 |
0.009 |
| 135 |
140 |
|
[OKN]F:8 |
3 |
1 |
484 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
5316 |
7.4 |
-0.3 |
0.518 |
0 |
0 |
0 |
0.002 |
| 136 |
141 |
|
[PST]E:12 |
3 |
1 |
456 |
f |
[OKN]E:9 |
x,y,z |
1_555 |
2 |
1 |
463 |
7.3 |
0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
| 137 |
142 |
|
[GS]F:7 |
3 |
1 |
501 |
f |
[RFJ]E:3 |
x,y,z |
1_555 |
4 |
1 |
511 |
7.2 |
0.1 |
0.419 |
0 |
0 |
0 |
0.000 |
| 138 |
143 |
|
[OKN]E:8 |
1 |
1 |
465 |
f |
[OKT]F:2 |
x,y,z |
1_555 |
1 |
1 |
464 |
6.7 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.005 |
| 139 |
144 |
|
[GS]E:13 |
2 |
1 |
480 |
f |
[OKN]E:11 |
x,y,z |
1_555 |
2 |
1 |
459 |
6.2 |
-0.1 |
0.372 |
0 |
0 |
0 |
0.002 |
| 140 |
145 |
|
[AS]E:6 |
1 |
1 |
470 |
f |
[OKQ]E:4 |
x,y,z |
1_555 |
2 |
1 |
476 |
5.3 |
-0.3 |
0.247 |
0 |
0 |
0 |
0.009 |
| 141 |
146 |
|
[AS]F:6 |
1 |
1 |
489 |
f |
[OKQ]F:4 |
x,y,z |
1_555 |
1 |
1 |
475 |
5.2 |
0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
| 142 |
147 |
|
[AS]E:15 |
1 |
1 |
481 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5483 |
4.9 |
0.0 |
0.415 |
0 |
0 |
0 |
0.000 |
| 143 |
148 |
|
[OKT]F:5 |
1 |
1 |
469 |
f |
[OKT]E:5 |
x,y,z |
1_555 |
1 |
1 |
465 |
4.3 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.006 |
| 144 |
149 |
|
[NA]E:101 |
1 |
1 |
125 |
f |
[AS]E:15 |
x,y,z |
1_555 |
1 |
1 |
481 |
4.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| 145 |
150 |
|
[OKT]F:5 |
2 |
1 |
469 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5483 |
3.9 |
-0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
| 146 |
151 |
|
[GS]E:14 |
2 |
1 |
478 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
5216 |
3.6 |
-0.0 |
0.459 |
0 |
0 |
0 |
0.000 |
| 147 |
152 |
|
[NA]E:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
5216 |
3.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| 148 |
153 |
|
[AS]E:6 |
1 |
1 |
470 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.0 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.008 |
| 149 |
154 |
|
[RFJ]E:3 |
1 |
1 |
511 |
f |
[OKT]F:2 |
x,y,z |
1_555 |
1 |
1 |
464 |
2.9 |
-0.3 |
0.312 |
0 |
0 |
0 |
0.008 |
| 150 |
155 |
|
[GS]F:7 |
2 |
1 |
501 |
f |
[AS]E:6 |
x,y,z |
1_555 |
1 |
1 |
470 |
2.5 |
0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
156 |
|
[GS]E:7 |
1 |
1 |
492 |
f |
[AS]F:6 |
x,y,z |
1_555 |
1 |
1 |
489 |
0.3 |
0.0 |
0.372 |
0 |
0 |
0 |
0.000 |
| Average: |
1.4 |
0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
| 151 |
157 |
|
[PST]F:10 |
1 |
1 |
476 |
◊ |
[OKT]E:2 |
x,y,z |
1_555 |
1 |
1 |
486 |
2.5 |
-0.1 |
0.400 |
0 |
0 |
0 |
0.001 |
| 152 |
158 |
|
[NA]E:101 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5483 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 153 |
159 |
|
[OKT]F:5 |
1 |
1 |
469 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5316 |
1.9 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
| 154 |
160 |
|
D |
2 |
2 |
5316 |
◊ |
D |
y,x,-z+1 |
7_556 |
2 |
2 |
5316 |
1.8 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
| 155 |
161 |
|
[OKQ]F:1 |
2 |
1 |
422 |
f |
[OKT]E:2 |
x,y,z |
1_555 |
2 |
1 |
486 |
1.5 |
0.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| 156 |
162 |
|
[OKQ]E:4 |
1 |
1 |
476 |
f |
[OKT]F:2 |
x,y,z |
1_555 |
1 |
1 |
464 |
0.5 |
-0.0 |
0.381 |
0 |
0 |
0 |
0.001 |
| 157 |
163 |
|
[RFJ]F:3 |
1 |
1 |
509 |
f |
[OKT]F:5 |
x,y,z |
1_555 |
1 |
1 |
469 |
0.4 |
-0.0 |
0.398 |
0 |
0 |
0 |
0.000 |
| 158 |
164 |
|
[OKT]F:2 |
1 |
1 |
464 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5316 |
0.2 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
| 159 |
165 |
|
[OKN]E:8 |
1 |
1 |
465 |
f |
[AS]E:6 |
x,y,z |
1_555 |
1 |
1 |
470 |
0.2 |
0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
|