| ## |
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 |
301 |
83 |
21830 |
◊ |
C |
x,y,z |
1_555 |
302 |
83 |
22351 |
2877.4 |
-16.4 |
0.127 |
22 |
14 |
0 |
0.719 |
2 |
|
B |
299 |
84 |
22507 |
◊ |
A |
x,y,z |
1_555 |
302 |
83 |
22292 |
2873.2 |
-14.0 |
0.189 |
21 |
16 |
0 |
0.719 |
3 |
|
F |
298 |
84 |
22477 |
◊ |
E |
x,y,z |
1_555 |
298 |
83 |
22468 |
2865.5 |
-16.4 |
0.113 |
26 |
17 |
0 |
0.719 |
4 |
|
H |
292 |
84 |
22436 |
◊ |
G |
x,y,z |
1_555 |
303 |
85 |
22062 |
2835.2 |
-15.4 |
0.182 |
29 |
17 |
0 |
0.719 |
| Average: |
2862.8 |
-15.5 |
0.153 |
25 |
16 |
0 |
0.719 |
| 2 |
5 |
|
F |
50 |
15 |
22477 |
◊ |
H |
x-1,y,z+1 |
1_456 |
50 |
14 |
22436 |
446.2 |
1.2 |
0.653 |
1 |
0 |
0 |
0.000 |
6 |
|
F |
49 |
15 |
22477 |
◊ |
H |
x-1,y,z |
1_455 |
53 |
17 |
22436 |
421.7 |
1.0 |
0.645 |
1 |
0 |
0 |
0.000 |
7 |
|
B |
51 |
16 |
22507 |
◊ |
D |
x,y,z-1 |
1_554 |
48 |
11 |
21830 |
420.1 |
-1.5 |
0.410 |
0 |
0 |
0 |
0.000 |
8 |
|
D |
48 |
17 |
21830 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
22507 |
406.6 |
-0.3 |
0.533 |
1 |
0 |
0 |
0.000 |
| Average: |
423.6 |
0.1 |
0.560 |
1 |
0 |
0 |
0.000 |
| 3 |
9 |
|
G |
42 |
11 |
22062 |
◊ |
E |
x,y,z-1 |
1_554 |
47 |
12 |
22468 |
386.2 |
-1.5 |
0.393 |
2 |
0 |
0 |
0.000 |
10 |
|
A |
39 |
12 |
22292 |
◊ |
C |
x-1,y,z |
1_455 |
46 |
12 |
22351 |
385.5 |
-1.4 |
0.363 |
2 |
0 |
0 |
0.000 |
11 |
|
G |
44 |
13 |
22062 |
◊ |
E |
x,y,z |
1_555 |
38 |
11 |
22468 |
383.0 |
-1.4 |
0.380 |
2 |
0 |
0 |
0.000 |
12 |
|
A |
41 |
10 |
22292 |
◊ |
C |
x-1,y,z-1 |
1_454 |
40 |
11 |
22351 |
376.5 |
-1.4 |
0.384 |
0 |
0 |
0 |
0.000 |
| Average: |
382.8 |
-1.4 |
0.380 |
2 |
0 |
0 |
0.000 |
| 4 |
13 |
|
G |
39 |
10 |
22062 |
◊ |
D |
x,y,z |
1_555 |
33 |
8 |
21830 |
325.8 |
-2.8 |
0.275 |
2 |
0 |
0 |
0.000 |
14 |
|
C |
34 |
9 |
22351 |
◊ |
H |
x,y-1,z |
1_545 |
28 |
8 |
22436 |
293.4 |
-4.5 |
0.115 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
28 |
8 |
22292 |
◊ |
F |
x,y,z-1 |
1_554 |
33 |
8 |
22477 |
273.6 |
-2.9 |
0.231 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
32 |
8 |
22507 |
◊ |
E |
x,y-1,z-1 |
1_544 |
29 |
8 |
22468 |
262.1 |
-3.4 |
0.189 |
0 |
0 |
0 |
0.000 |
| Average: |
288.7 |
-3.4 |
0.203 |
1 |
0 |
0 |
0.000 |
| 5 |
17 |
|
[AF2]A:501 |
20 |
1 |
480 |
◊ |
A |
x,y,z |
1_555 |
41 |
18 |
22292 |
279.9 |
-0.4 |
0.261 |
1 |
0 |
0 |
0.000 |
18 |
|
[AF2]C:501 |
20 |
1 |
480 |
◊ |
C |
x,y,z |
1_555 |
43 |
18 |
22351 |
278.4 |
2.3 |
0.525 |
2 |
0 |
0 |
0.000 |
19 |
|
[AF2]E:501 |
21 |
1 |
474 |
◊ |
E |
x,y,z |
1_555 |
40 |
19 |
22468 |
276.9 |
2.2 |
0.518 |
1 |
0 |
0 |
0.000 |
20 |
|
[AF2]G:501 |
20 |
1 |
480 |
◊ |
G |
x,y,z |
1_555 |
40 |
17 |
22062 |
274.5 |
1.7 |
0.514 |
2 |
0 |
0 |
0.000 |
21 |
|
[AF2]D:503 |
20 |
1 |
483 |
◊ |
D |
x,y,z |
1_555 |
44 |
19 |
21830 |
270.5 |
2.6 |
0.570 |
0 |
0 |
0 |
0.000 |
22 |
|
[AF2]B:503 |
20 |
1 |
480 |
◊ |
B |
x,y,z |
1_555 |
41 |
18 |
22507 |
270.4 |
2.8 |
0.565 |
1 |
0 |
0 |
0.000 |
23 |
|
[AF2]H:503 |
20 |
1 |
477 |
◊ |
H |
x,y,z |
1_555 |
39 |
18 |
22436 |
267.8 |
2.0 |
0.511 |
1 |
0 |
0 |
0.000 |
24 |
|
[AF2]F:503 |
19 |
1 |
479 |
◊ |
F |
x,y,z |
1_555 |
42 |
18 |
22477 |
265.1 |
2.4 |
0.535 |
1 |
0 |
0 |
0.000 |
| Average: |
273.0 |
1.9 |
0.500 |
1 |
0 |
0 |
0.000 |
| 6 |
25 |
|
[AF2]H:502 |
19 |
1 |
471 |
◊ |
H |
x,y,z |
1_555 |
33 |
14 |
22436 |
212.9 |
3.9 |
0.507 |
1 |
0 |
0 |
0.000 |
26 |
|
[AF2]A:503 |
20 |
1 |
467 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
22292 |
211.9 |
3.7 |
0.495 |
1 |
0 |
0 |
0.000 |
27 |
|
[AF2]D:502 |
18 |
1 |
467 |
◊ |
D |
x,y,z |
1_555 |
33 |
14 |
21830 |
211.4 |
4.0 |
0.516 |
1 |
0 |
0 |
0.000 |
28 |
|
[AF2]F:502 |
20 |
1 |
473 |
◊ |
F |
x,y,z |
1_555 |
32 |
14 |
22477 |
210.4 |
3.8 |
0.480 |
1 |
0 |
0 |
0.000 |
29 |
|
[AF2]E:503 |
19 |
1 |
466 |
◊ |
E |
x,y,z |
1_555 |
34 |
14 |
22468 |
210.3 |
3.7 |
0.501 |
1 |
0 |
0 |
0.000 |
30 |
|
[AF2]G:503 |
20 |
1 |
468 |
◊ |
G |
x,y,z |
1_555 |
32 |
13 |
22062 |
208.2 |
3.8 |
0.493 |
2 |
0 |
0 |
0.000 |
31 |
|
[AF2]C:503 |
20 |
1 |
468 |
◊ |
C |
x,y,z |
1_555 |
34 |
14 |
22351 |
207.7 |
3.8 |
0.495 |
1 |
0 |
0 |
0.000 |
32 |
|
[AF2]B:502 |
16 |
1 |
471 |
◊ |
B |
x,y,z |
1_555 |
31 |
13 |
22507 |
204.8 |
3.9 |
0.523 |
1 |
0 |
0 |
0.000 |
| Average: |
209.7 |
3.8 |
0.501 |
1 |
0 |
0 |
0.000 |
| 7 |
33 |
|
[AF2]G:502 |
19 |
1 |
487 |
◊ |
G |
x,y,z |
1_555 |
21 |
7 |
22062 |
169.4 |
-0.0 |
0.309 |
1 |
0 |
0 |
0.000 |
34 |
|
[AF2]C:502 |
19 |
1 |
485 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
22351 |
168.3 |
-0.2 |
0.307 |
1 |
0 |
0 |
0.000 |
35 |
|
[AF2]E:502 |
18 |
1 |
486 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
22468 |
166.1 |
0.3 |
0.350 |
1 |
0 |
0 |
0.000 |
36 |
|
[AF2]A:502 |
18 |
1 |
488 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
22292 |
163.4 |
0.3 |
0.384 |
1 |
0 |
0 |
0.000 |
37 |
|
[AF2]H:501 |
18 |
1 |
483 |
◊ |
H |
x,y,z |
1_555 |
23 |
7 |
22436 |
160.8 |
0.0 |
0.338 |
1 |
0 |
0 |
0.000 |
38 |
|
[AF2]B:501 |
19 |
1 |
486 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
22507 |
160.4 |
0.2 |
0.320 |
1 |
0 |
0 |
0.000 |
39 |
|
[AF2]D:501 |
18 |
1 |
486 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
21830 |
159.7 |
0.1 |
0.329 |
1 |
0 |
0 |
0.000 |
40 |
|
[AF2]F:501 |
19 |
1 |
485 |
◊ |
F |
x,y,z |
1_555 |
22 |
7 |
22477 |
158.8 |
0.1 |
0.306 |
1 |
0 |
0 |
0.000 |
| Average: |
163.4 |
0.1 |
0.330 |
1 |
0 |
0 |
0.000 |
| 8 |
41 |
|
F |
17 |
5 |
22477 |
◊ |
G |
x-1,y,z |
1_455 |
18 |
5 |
22062 |
161.5 |
-0.1 |
0.558 |
1 |
1 |
0 |
0.000 |
42 |
|
E |
18 |
5 |
22468 |
◊ |
H |
x-1,y,z+1 |
1_456 |
19 |
5 |
22436 |
155.0 |
-0.2 |
0.518 |
0 |
3 |
0 |
0.000 |
43 |
|
A |
18 |
5 |
22292 |
◊ |
D |
x,y,z-1 |
1_554 |
17 |
5 |
21830 |
146.9 |
0.1 |
0.562 |
0 |
2 |
0 |
0.000 |
44 |
|
C |
16 |
5 |
22351 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
22507 |
127.5 |
-0.0 |
0.557 |
0 |
2 |
0 |
0.000 |
| Average: |
147.7 |
-0.1 |
0.549 |
0 |
2 |
0 |
0.000 |
| 9 |
45 |
|
[AF2]D:501 |
15 |
1 |
486 |
◊ |
C |
x,y,z |
1_555 |
21 |
9 |
22351 |
139.5 |
-1.3 |
0.261 |
0 |
0 |
0 |
0.000 |
46 |
|
[AF2]F:501 |
14 |
1 |
485 |
◊ |
E |
x,y,z |
1_555 |
21 |
9 |
22468 |
138.2 |
-1.5 |
0.255 |
0 |
0 |
0 |
0.000 |
47 |
|
[AF2]H:501 |
15 |
1 |
483 |
◊ |
G |
x,y,z |
1_555 |
20 |
8 |
22062 |
137.4 |
-1.2 |
0.293 |
0 |
0 |
0 |
0.000 |
48 |
|
[AF2]B:501 |
14 |
1 |
486 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
22292 |
135.8 |
-1.5 |
0.220 |
0 |
0 |
0 |
0.000 |
49 |
|
[AF2]A:502 |
14 |
1 |
488 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
22507 |
127.1 |
-1.0 |
0.315 |
0 |
0 |
0 |
0.000 |
50 |
|
[AF2]G:502 |
14 |
1 |
487 |
◊ |
H |
x,y,z |
1_555 |
22 |
9 |
22436 |
124.7 |
-1.2 |
0.306 |
0 |
0 |
0 |
0.000 |
51 |
|
[AF2]E:502 |
13 |
1 |
486 |
◊ |
F |
x,y,z |
1_555 |
21 |
9 |
22477 |
122.6 |
-1.3 |
0.315 |
0 |
0 |
0 |
0.000 |
52 |
|
[AF2]C:502 |
13 |
1 |
485 |
◊ |
D |
x,y,z |
1_555 |
21 |
10 |
21830 |
118.5 |
-1.2 |
0.312 |
0 |
0 |
0 |
0.000 |
| Average: |
130.5 |
-1.3 |
0.285 |
0 |
0 |
0 |
0.000 |
| 10 |
53 |
|
H |
17 |
6 |
22436 |
◊ |
E |
x,y,z |
1_555 |
12 |
3 |
22468 |
139.0 |
-0.0 |
0.537 |
1 |
1 |
0 |
0.000 |
54 |
|
G |
11 |
3 |
22062 |
◊ |
F |
x,y,z-1 |
1_554 |
15 |
6 |
22477 |
122.8 |
0.2 |
0.533 |
0 |
2 |
0 |
0.000 |
55 |
|
B |
14 |
5 |
22507 |
◊ |
C |
x-1,y,z-1 |
1_454 |
11 |
2 |
22351 |
115.8 |
0.4 |
0.540 |
0 |
2 |
0 |
0.000 |
56 |
|
A |
10 |
2 |
22292 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
5 |
21830 |
113.3 |
0.3 |
0.566 |
2 |
2 |
0 |
0.000 |
| Average: |
122.7 |
0.2 |
0.544 |
1 |
2 |
0 |
0.000 |
| 11 |
57 |
|
E |
14 |
4 |
22468 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
22507 |
112.6 |
-0.6 |
0.412 |
0 |
0 |
0 |
0.000 |
58 |
|
A |
10 |
3 |
22292 |
◊ |
F |
x,y-1,z |
1_545 |
6 |
3 |
22477 |
90.6 |
-0.5 |
0.406 |
0 |
0 |
0 |
0.000 |
59 |
|
H |
7 |
4 |
22436 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
3 |
22351 |
57.8 |
-0.5 |
0.423 |
0 |
0 |
0 |
0.000 |
60 |
|
D |
7 |
3 |
21830 |
◊ |
G |
x,y-1,z+1 |
1_546 |
10 |
4 |
22062 |
55.9 |
0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
| Average: |
79.2 |
-0.4 |
0.434 |
0 |
0 |
0 |
0.000 |
| 12 |
61 |
|
A |
13 |
3 |
22292 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
4 |
22507 |
96.4 |
-0.7 |
0.353 |
0 |
0 |
0 |
0.000 |
62 |
|
H |
7 |
3 |
22436 |
◊ |
G |
x,y,z-1 |
1_554 |
11 |
2 |
22062 |
59.9 |
-1.4 |
0.141 |
0 |
0 |
0 |
0.000 |
63 |
|
F |
3 |
1 |
22477 |
◊ |
E |
x,y,z-1 |
1_554 |
9 |
2 |
22468 |
38.8 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
| Average: |
65.0 |
-0.7 |
0.366 |
0 |
0 |
0 |
0.000 |
| 13 |
64 |
|
E |
9 |
3 |
22468 |
◊ |
F |
x,y,z-1 |
1_554 |
7 |
3 |
22477 |
94.4 |
-0.4 |
0.453 |
0 |
0 |
0 |
0.000 |
65 |
|
B |
14 |
6 |
22507 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
4 |
22292 |
88.1 |
0.7 |
0.680 |
1 |
0 |
0 |
0.000 |
66 |
|
D |
4 |
2 |
21830 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
22351 |
44.0 |
0.4 |
0.708 |
0 |
0 |
0 |
0.000 |
67 |
|
G |
6 |
3 |
22062 |
◊ |
H |
x,y,z-1 |
1_554 |
4 |
2 |
22436 |
36.4 |
0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
| Average: |
65.7 |
0.2 |
0.604 |
0 |
0 |
0 |
0.000 |
| 14 |
68 |
|
[AF2]B:502 |
10 |
1 |
471 |
cf |
[AF2]B:501 |
x,y,z |
1_555 |
11 |
1 |
486 |
92.4 |
0.9 |
0.375 |
0 |
0 |
0 |
0.000 |
69 |
|
[AF2]C:503 |
10 |
1 |
468 |
cf |
[AF2]C:502 |
x,y,z |
1_555 |
11 |
1 |
485 |
92.1 |
0.9 |
0.388 |
0 |
0 |
0 |
0.000 |
70 |
|
[AF2]E:503 |
10 |
1 |
466 |
cf |
[AF2]E:502 |
x,y,z |
1_555 |
11 |
1 |
486 |
91.6 |
1.1 |
0.413 |
0 |
0 |
0 |
0.000 |
71 |
|
[AF2]A:503 |
10 |
1 |
467 |
cf |
[AF2]A:502 |
x,y,z |
1_555 |
11 |
1 |
488 |
91.5 |
0.7 |
0.368 |
0 |
0 |
0 |
0.000 |
72 |
|
[AF2]G:503 |
10 |
1 |
468 |
cf |
[AF2]G:502 |
x,y,z |
1_555 |
10 |
1 |
487 |
90.7 |
0.8 |
0.372 |
0 |
0 |
0 |
0.000 |
73 |
|
[AF2]F:502 |
10 |
1 |
473 |
cf |
[AF2]F:501 |
x,y,z |
1_555 |
11 |
1 |
485 |
90.5 |
1.0 |
0.395 |
0 |
0 |
0 |
0.000 |
74 |
|
[AF2]H:502 |
10 |
1 |
471 |
cf |
[AF2]H:501 |
x,y,z |
1_555 |
11 |
1 |
483 |
88.3 |
1.0 |
0.392 |
0 |
0 |
0 |
0.000 |
75 |
|
[AF2]D:502 |
10 |
1 |
467 |
cf |
[AF2]D:501 |
x,y,z |
1_555 |
11 |
1 |
486 |
88.2 |
1.0 |
0.397 |
0 |
0 |
0 |
0.000 |
| Average: |
90.7 |
0.9 |
0.387 |
0 |
0 |
0 |
0.000 |
| 15 |
76 |
|
[SO4]G:504 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
22062 |
72.8 |
-7.8 |
0.914 |
3 |
0 |
0 |
0.213 |
| 16 |
77 |
|
[SO4]C:504 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
22351 |
72.7 |
-8.7 |
0.805 |
1 |
0 |
0 |
0.224 |
| 17 |
78 |
|
[SO4]B:504 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
22292 |
71.9 |
-8.3 |
0.869 |
1 |
0 |
0 |
0.219 |
| 18 |
79 |
|
[AF2]F:503 |
6 |
1 |
479 |
cf |
[AF2]E:502 |
x,y,z |
1_555 |
9 |
1 |
486 |
69.0 |
0.8 |
0.414 |
0 |
0 |
0 |
0.000 |
80 |
|
[AF2]B:503 |
6 |
1 |
480 |
cf |
[AF2]A:502 |
x,y,z |
1_555 |
9 |
1 |
488 |
67.3 |
0.7 |
0.389 |
0 |
0 |
0 |
0.000 |
81 |
|
[AF2]H:503 |
6 |
1 |
477 |
cf |
[AF2]G:502 |
x,y,z |
1_555 |
8 |
1 |
487 |
64.7 |
0.9 |
0.419 |
0 |
0 |
0 |
0.000 |
82 |
|
[AF2]D:501 |
8 |
1 |
486 |
cf |
[AF2]C:501 |
x,y,z |
1_555 |
6 |
1 |
480 |
64.6 |
0.7 |
0.409 |
0 |
0 |
0 |
0.000 |
83 |
|
[AF2]H:501 |
8 |
1 |
483 |
cf |
[AF2]G:501 |
x,y,z |
1_555 |
7 |
1 |
480 |
64.6 |
0.7 |
0.420 |
0 |
0 |
0 |
0.000 |
84 |
|
[AF2]B:501 |
9 |
1 |
486 |
cf |
[AF2]A:501 |
x,y,z |
1_555 |
6 |
1 |
480 |
64.6 |
0.7 |
0.396 |
0 |
0 |
0 |
0.000 |
85 |
|
[AF2]D:503 |
6 |
1 |
483 |
cf |
[AF2]C:502 |
x,y,z |
1_555 |
9 |
1 |
485 |
63.9 |
0.8 |
0.415 |
0 |
0 |
0 |
0.000 |
86 |
|
[AF2]F:501 |
9 |
1 |
485 |
cf |
[AF2]E:501 |
x,y,z |
1_555 |
6 |
1 |
474 |
62.6 |
0.8 |
0.415 |
0 |
0 |
0 |
0.000 |
| Average: |
65.2 |
0.8 |
0.410 |
0 |
0 |
0 |
0.000 |
| 19 |
87 |
|
[SO4]F:504 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
22468 |
67.8 |
-6.6 |
0.937 |
2 |
0 |
0 |
0.174 |
| 20 |
88 |
|
[SO4]F:504 |
5 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
11 |
6 |
22477 |
65.5 |
-6.7 |
0.953 |
1 |
0 |
0 |
0.165 |
| 21 |
89 |
|
[SO4]B:504 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
22507 |
65.4 |
-7.1 |
0.961 |
1 |
0 |
0 |
0.187 |
| 22 |
90 |
|
D |
7 |
2 |
21830 |
◊ |
H |
x,y-1,z |
1_545 |
6 |
2 |
22436 |
64.5 |
0.8 |
0.728 |
0 |
4 |
0 |
0.000 |
91 |
|
H |
6 |
1 |
22436 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
21830 |
62.2 |
0.6 |
0.559 |
0 |
1 |
0 |
0.000 |
92 |
|
A |
4 |
2 |
22292 |
◊ |
E |
x,y-1,z-1 |
1_544 |
4 |
3 |
22468 |
42.8 |
0.8 |
0.714 |
0 |
0 |
0 |
0.000 |
93 |
|
A |
7 |
3 |
22292 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
2 |
22468 |
31.1 |
0.5 |
0.710 |
0 |
1 |
0 |
0.000 |
| Average: |
50.2 |
0.7 |
0.678 |
0 |
2 |
0 |
0.000 |
| 23 |
94 |
|
[SO4]G:504 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
22436 |
56.1 |
-5.3 |
0.955 |
0 |
0 |
0 |
0.124 |
| 24 |
95 |
|
[SO4]C:504 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
21830 |
53.0 |
-5.1 |
0.951 |
0 |
0 |
0 |
0.124 |
| 25 |
96 |
|
[AF2]A:503 |
5 |
1 |
467 |
cf |
[AF2]A:501 |
x,y,z |
1_555 |
4 |
1 |
480 |
52.3 |
-0.0 |
0.363 |
0 |
0 |
0 |
0.003 |
97 |
|
[AF2]C:503 |
5 |
1 |
468 |
cf |
[AF2]C:501 |
x,y,z |
1_555 |
4 |
1 |
480 |
52.3 |
-0.0 |
0.361 |
0 |
0 |
0 |
0.003 |
98 |
|
[AF2]G:503 |
5 |
1 |
468 |
cf |
[AF2]G:501 |
x,y,z |
1_555 |
4 |
1 |
480 |
52.0 |
-0.0 |
0.362 |
0 |
0 |
0 |
0.003 |
99 |
|
[AF2]B:503 |
4 |
1 |
480 |
cf |
[AF2]B:502 |
x,y,z |
1_555 |
5 |
1 |
471 |
51.6 |
-0.0 |
0.357 |
0 |
0 |
0 |
0.003 |
100 |
|
[AF2]H:503 |
4 |
1 |
477 |
cf |
[AF2]H:502 |
x,y,z |
1_555 |
4 |
1 |
471 |
51.6 |
-0.0 |
0.360 |
0 |
0 |
0 |
0.003 |
101 |
|
[AF2]F:503 |
4 |
1 |
479 |
cf |
[AF2]F:502 |
x,y,z |
1_555 |
4 |
1 |
473 |
51.5 |
-0.0 |
0.360 |
0 |
0 |
0 |
0.003 |
102 |
|
[AF2]D:503 |
4 |
1 |
483 |
cf |
[AF2]D:502 |
x,y,z |
1_555 |
4 |
1 |
467 |
51.4 |
-0.1 |
0.357 |
0 |
0 |
0 |
0.003 |
103 |
|
[AF2]E:503 |
5 |
1 |
466 |
cf |
[AF2]E:501 |
x,y,z |
1_555 |
4 |
1 |
474 |
50.8 |
0.1 |
0.375 |
0 |
0 |
0 |
0.003 |
| Average: |
51.7 |
-0.0 |
0.362 |
0 |
0 |
0 |
0.003 |
| 26 |
104 |
|
C |
8 |
3 |
22351 |
◊ |
G |
x,y-1,z |
1_545 |
4 |
1 |
22062 |
49.1 |
1.5 |
0.829 |
0 |
2 |
0 |
0.000 |
105 |
|
B |
4 |
2 |
22507 |
◊ |
F |
x,y,z-1 |
1_554 |
7 |
3 |
22477 |
45.1 |
0.6 |
0.458 |
0 |
0 |
0 |
0.000 |
106 |
|
G |
7 |
3 |
22062 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22351 |
43.8 |
0.6 |
0.497 |
0 |
0 |
0 |
0.000 |
107 |
|
B |
11 |
3 |
22507 |
◊ |
F |
x,y-1,z-1 |
1_544 |
4 |
2 |
22477 |
39.7 |
1.2 |
0.661 |
0 |
0 |
0 |
0.000 |
| Average: |
44.4 |
1.0 |
0.611 |
0 |
1 |
0 |
0.000 |
| 27 |
108 |
|
[AF2]H:503 |
5 |
1 |
477 |
f |
[AF2]G:503 |
x,y,z |
1_555 |
2 |
1 |
468 |
23.7 |
-0.5 |
0.283 |
0 |
0 |
0 |
0.024 |
109 |
|
[AF2]B:503 |
4 |
1 |
480 |
f |
[AF2]A:503 |
x,y,z |
1_555 |
2 |
1 |
467 |
23.6 |
-0.4 |
0.292 |
0 |
0 |
0 |
0.024 |
110 |
|
[AF2]B:502 |
2 |
1 |
471 |
f |
[AF2]A:501 |
x,y,z |
1_555 |
5 |
1 |
480 |
23.6 |
-0.5 |
0.282 |
0 |
0 |
0 |
0.024 |
111 |
|
[AF2]D:503 |
5 |
1 |
483 |
f |
[AF2]C:503 |
x,y,z |
1_555 |
2 |
1 |
468 |
22.6 |
-0.5 |
0.284 |
0 |
0 |
0 |
0.024 |
112 |
|
[AF2]F:503 |
5 |
1 |
479 |
f |
[AF2]E:503 |
x,y,z |
1_555 |
2 |
1 |
466 |
22.5 |
-0.4 |
0.290 |
0 |
0 |
0 |
0.024 |
113 |
|
[AF2]F:502 |
2 |
1 |
473 |
f |
[AF2]E:501 |
x,y,z |
1_555 |
5 |
1 |
474 |
22.4 |
-0.6 |
0.283 |
0 |
0 |
0 |
0.024 |
114 |
|
[AF2]H:502 |
2 |
1 |
471 |
f |
[AF2]G:501 |
x,y,z |
1_555 |
5 |
1 |
480 |
22.4 |
-0.5 |
0.292 |
0 |
0 |
0 |
0.024 |
115 |
|
[AF2]D:502 |
2 |
1 |
467 |
f |
[AF2]C:501 |
x,y,z |
1_555 |
5 |
1 |
480 |
22.1 |
-0.5 |
0.288 |
0 |
0 |
0 |
0.024 |
| Average: |
22.8 |
-0.5 |
0.287 |
0 |
0 |
0 |
0.024 |
| 28 |
116 |
|
[AF2]D:503 |
3 |
1 |
483 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
22351 |
14.2 |
-0.3 |
0.410 |
0 |
0 |
0 |
0.000 |
117 |
|
[AF2]F:503 |
3 |
1 |
479 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
22468 |
13.7 |
-0.2 |
0.422 |
0 |
0 |
0 |
0.000 |
118 |
|
[AF2]B:503 |
3 |
1 |
480 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
22292 |
13.0 |
-0.3 |
0.416 |
0 |
0 |
0 |
0.000 |
119 |
|
[AF2]G:501 |
3 |
1 |
480 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
22436 |
12.1 |
-0.3 |
0.411 |
0 |
0 |
0 |
0.000 |
120 |
|
[AF2]E:501 |
2 |
1 |
474 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
22477 |
10.7 |
-0.3 |
0.376 |
0 |
0 |
0 |
0.000 |
121 |
|
[AF2]H:503 |
2 |
1 |
477 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
22062 |
10.2 |
-0.2 |
0.366 |
0 |
0 |
0 |
0.000 |
122 |
|
[AF2]C:501 |
2 |
1 |
480 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
21830 |
10.1 |
-0.2 |
0.376 |
0 |
0 |
0 |
0.000 |
123 |
|
[AF2]A:501 |
2 |
1 |
480 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
22507 |
9.3 |
-0.3 |
0.371 |
0 |
0 |
0 |
0.000 |
| Average: |
11.7 |
-0.2 |
0.393 |
0 |
0 |
0 |
0.000 |
| 29 |
124 |
|
[AF2]B:501 |
3 |
1 |
486 |
◊ |
C |
x-1,y,z-1 |
1_454 |
3 |
2 |
22351 |
11.1 |
0.2 |
0.472 |
0 |
0 |
0 |
0.000 |
125 |
|
A |
3 |
2 |
22292 |
◊ |
[AF2]D:501 |
x-1,y,z |
1_455 |
3 |
1 |
486 |
10.5 |
0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
126 |
|
[AF2]H:501 |
3 |
1 |
483 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
22468 |
10.2 |
0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
127 |
|
G |
3 |
2 |
22062 |
◊ |
[AF2]F:501 |
x,y,z-1 |
1_554 |
3 |
1 |
485 |
10.0 |
0.0 |
0.409 |
0 |
0 |
0 |
0.000 |
| Average: |
10.4 |
0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
| 30 |
128 |
|
[AF2]F:501 |
1 |
1 |
485 |
f |
[AF2]E:503 |
x,y,z |
1_555 |
2 |
1 |
466 |
6.4 |
-0.3 |
0.216 |
0 |
0 |
0 |
0.011 |
129 |
|
[AF2]D:501 |
1 |
1 |
486 |
f |
[AF2]C:503 |
x,y,z |
1_555 |
2 |
1 |
468 |
6.1 |
-0.3 |
0.213 |
0 |
0 |
0 |
0.011 |
130 |
|
[AF2]B:501 |
1 |
1 |
486 |
f |
[AF2]A:503 |
x,y,z |
1_555 |
2 |
1 |
467 |
6.1 |
-0.3 |
0.216 |
0 |
0 |
0 |
0.011 |
131 |
|
[AF2]B:502 |
2 |
1 |
471 |
f |
[AF2]A:502 |
x,y,z |
1_555 |
1 |
1 |
488 |
5.5 |
-0.2 |
0.223 |
0 |
0 |
0 |
0.011 |
132 |
|
[AF2]H:501 |
1 |
1 |
483 |
f |
[AF2]G:503 |
x,y,z |
1_555 |
2 |
1 |
468 |
4.7 |
-0.2 |
0.272 |
0 |
0 |
0 |
0.011 |
133 |
|
[AF2]D:502 |
2 |
1 |
467 |
f |
[AF2]C:502 |
x,y,z |
1_555 |
1 |
1 |
485 |
4.5 |
-0.2 |
0.281 |
0 |
0 |
0 |
0.011 |
134 |
|
[AF2]H:502 |
2 |
1 |
471 |
f |
[AF2]G:502 |
x,y,z |
1_555 |
1 |
1 |
487 |
4.2 |
-0.1 |
0.281 |
0 |
0 |
0 |
0.011 |
135 |
|
[AF2]F:502 |
2 |
1 |
473 |
f |
[AF2]E:502 |
x,y,z |
1_555 |
1 |
1 |
486 |
3.6 |
-0.2 |
0.275 |
0 |
0 |
0 |
0.011 |
| Average: |
5.2 |
-0.2 |
0.247 |
0 |
0 |
0 |
0.011 |
| 31 |
136 |
|
F |
2 |
1 |
22477 |
f |
[AF2]G:502 |
x-1,y,z |
1_455 |
2 |
1 |
487 |
6.2 |
-0.0 |
0.382 |
0 |
0 |
0 |
0.000 |
137 |
|
[AF2]C:502 |
2 |
1 |
485 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
22507 |
5.3 |
-0.0 |
0.400 |
0 |
0 |
0 |
0.000 |
138 |
|
[AF2]A:502 |
3 |
1 |
488 |
f |
D |
x,y,z-1 |
1_554 |
3 |
2 |
21830 |
2.6 |
0.1 |
0.464 |
0 |
0 |
0 |
0.000 |
139 |
|
[AF2]E:502 |
1 |
1 |
486 |
f |
H |
x-1,y,z+1 |
1_456 |
1 |
1 |
22436 |
0.4 |
0.0 |
0.438 |
0 |
0 |
0 |
0.000 |
| Average: |
3.6 |
-0.0 |
0.421 |
0 |
0 |
0 |
0.001 |
| 32 |
140 |
|
[AF2]F:502 |
1 |
1 |
473 |
f |
[AF2]E:503 |
x,y,z |
1_555 |
1 |
1 |
466 |
1.5 |
0.1 |
0.364 |
0 |
0 |
0 |
0.000 |
141 |
|
[AF2]B:502 |
1 |
1 |
471 |
f |
[AF2]A:503 |
x,y,z |
1_555 |
1 |
1 |
467 |
1.0 |
0.1 |
0.348 |
0 |
0 |
0 |
0.000 |
142 |
|
[AF2]H:502 |
1 |
1 |
471 |
f |
[AF2]G:503 |
x,y,z |
1_555 |
1 |
1 |
468 |
0.8 |
0.1 |
0.333 |
0 |
0 |
0 |
0.000 |
143 |
|
[AF2]D:502 |
1 |
1 |
467 |
f |
[AF2]C:503 |
x,y,z |
1_555 |
1 |
1 |
468 |
0.2 |
0.0 |
0.348 |
0 |
0 |
0 |
0.000 |
| Average: |
0.9 |
0.1 |
0.348 |
0 |
0 |
0 |
0.000 |
|