| ## |
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 |
247 |
68 |
27454 |
◊ |
C |
x,y,z |
1_555 |
248 |
69 |
27456 |
2374.9 |
-24.4 |
0.038 |
20 |
5 |
0 |
0.258 |
2 |
|
B |
246 |
67 |
27442 |
◊ |
A |
x,y,z |
1_555 |
243 |
68 |
27452 |
2321.0 |
-23.9 |
0.040 |
18 |
3 |
0 |
0.258 |
| Average: |
2347.9 |
-24.1 |
0.039 |
19 |
4 |
0 |
0.258 |
| 2 |
3 |
|
A |
47 |
15 |
27452 |
◊ |
C |
x,y,z-1 |
1_554 |
47 |
17 |
27456 |
421.4 |
-2.4 |
0.430 |
1 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
52 |
17 |
27452 |
◊ |
D |
x-1,y,z-1 |
1_454 |
63 |
20 |
27454 |
420.3 |
-4.0 |
0.314 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
C |
44 |
16 |
27456 |
◊ |
D |
x-1,y,z |
1_455 |
46 |
16 |
27454 |
372.9 |
-0.9 |
0.564 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
40 |
13 |
27452 |
◊ |
B |
x-1,y,z |
1_455 |
39 |
13 |
27442 |
366.0 |
-0.7 |
0.575 |
1 |
0 |
0 |
0.000 |
| Average: |
369.5 |
-0.8 |
0.570 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
D |
27 |
8 |
27454 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
27442 |
250.3 |
-4.3 |
0.134 |
0 |
0 |
0 |
0.000 |
8 |
|
C |
24 |
7 |
27456 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
27452 |
211.1 |
-3.4 |
0.183 |
0 |
0 |
0 |
0.000 |
| Average: |
230.7 |
-3.9 |
0.159 |
0 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[NAG]D:4757 |
11 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
19 |
8 |
27454 |
159.0 |
4.0 |
0.484 |
1 |
0 |
0 |
0.000 |
10 |
|
[NAG]C:3757 |
11 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
18 |
8 |
27456 |
158.8 |
4.0 |
0.473 |
1 |
0 |
0 |
0.000 |
11 |
|
[NAG]B:2757 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
19 |
8 |
27442 |
158.4 |
4.0 |
0.485 |
1 |
0 |
0 |
0.000 |
12 |
|
[NAG]A:1757 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
27452 |
158.0 |
3.9 |
0.485 |
1 |
0 |
0 |
0.000 |
| Average: |
158.5 |
4.0 |
0.482 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[NAG]B:2760 |
10 |
1 |
350 |
cf |
B |
x,y,z |
1_555 |
17 |
5 |
27442 |
121.3 |
2.7 |
0.381 |
0 |
0 |
0 |
0.000 |
14 |
|
[NAG]C:3760 |
10 |
1 |
350 |
cf |
C |
x,y,z |
1_555 |
18 |
5 |
27456 |
120.2 |
2.7 |
0.393 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]D:4760 |
10 |
1 |
348 |
cf |
D |
x,y,z |
1_555 |
18 |
5 |
27454 |
120.1 |
2.7 |
0.395 |
0 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:1760 |
10 |
1 |
349 |
cf |
A |
x,y,z |
1_555 |
18 |
5 |
27452 |
119.8 |
2.6 |
0.376 |
0 |
0 |
0 |
0.000 |
| Average: |
120.4 |
2.7 |
0.386 |
0 |
0 |
0 |
0.000 |
| 8 |
17 |
|
C |
12 |
4 |
27456 |
◊ |
B |
x-1,y,z+1 |
1_456 |
14 |
6 |
27442 |
117.3 |
-1.8 |
0.258 |
0 |
0 |
0 |
0.000 |
| 9 |
18 |
|
[NAG]A:1758 |
9 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
27452 |
116.1 |
3.2 |
0.444 |
2 |
0 |
0 |
0.000 |
19 |
|
[NAG]C:3758 |
9 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
19 |
8 |
27456 |
115.7 |
3.1 |
0.433 |
2 |
0 |
0 |
0.000 |
20 |
|
[NAG]B:2758 |
9 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
19 |
8 |
27442 |
115.6 |
3.1 |
0.417 |
2 |
0 |
0 |
0.000 |
21 |
|
[NAG]D:4758 |
9 |
1 |
358 |
cf |
D |
x,y,z |
1_555 |
19 |
8 |
27454 |
115.3 |
3.1 |
0.417 |
2 |
0 |
0 |
0.000 |
| Average: |
115.7 |
3.1 |
0.428 |
2 |
0 |
0 |
0.000 |
| 10 |
22 |
|
[NAG]B:2759 |
11 |
1 |
353 |
cf |
B |
x,y,z |
1_555 |
17 |
6 |
27442 |
111.5 |
3.1 |
0.348 |
0 |
0 |
0 |
0.000 |
23 |
|
[NAG]A:1759 |
10 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
27452 |
111.2 |
3.2 |
0.377 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]D:4759 |
11 |
1 |
354 |
cf |
D |
x,y,z |
1_555 |
16 |
6 |
27454 |
111.1 |
3.2 |
0.321 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]C:3759 |
9 |
1 |
352 |
cf |
C |
x,y,z |
1_555 |
16 |
6 |
27456 |
110.5 |
3.1 |
0.421 |
0 |
0 |
0 |
0.000 |
| Average: |
111.1 |
3.2 |
0.367 |
0 |
0 |
0 |
0.000 |
| 11 |
26 |
|
B |
10 |
5 |
27442 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
12 |
4 |
27452 |
107.8 |
-0.5 |
0.442 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
9 |
3 |
27442 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
3 |
27452 |
95.5 |
1.5 |
0.827 |
0 |
0 |
0 |
0.000 |
| Average: |
101.7 |
0.5 |
0.635 |
0 |
0 |
0 |
0.000 |
| 12 |
28 |
|
[NAG]D:4755 |
8 |
1 |
352 |
cf |
D |
x,y,z |
1_555 |
13 |
5 |
27454 |
106.6 |
2.4 |
0.421 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]B:2755 |
8 |
1 |
351 |
cf |
B |
x,y,z |
1_555 |
14 |
6 |
27442 |
105.5 |
2.4 |
0.420 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]C:3755 |
8 |
1 |
350 |
cf |
C |
x,y,z |
1_555 |
13 |
5 |
27456 |
104.4 |
2.4 |
0.430 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]A:1755 |
8 |
1 |
349 |
cf |
A |
x,y,z |
1_555 |
13 |
5 |
27452 |
104.2 |
2.4 |
0.428 |
0 |
0 |
0 |
0.000 |
| Average: |
105.2 |
2.4 |
0.425 |
0 |
0 |
0 |
0.000 |
| 13 |
32 |
|
[NAG]B:2754 |
11 |
1 |
354 |
cf |
B |
x,y,z |
1_555 |
15 |
5 |
27442 |
103.4 |
2.9 |
0.312 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]A:1754 |
12 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
15 |
5 |
27452 |
103.3 |
2.9 |
0.268 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]C:3754 |
11 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
15 |
5 |
27456 |
102.7 |
2.9 |
0.320 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]D:4754 |
11 |
1 |
358 |
cf |
D |
x,y,z |
1_555 |
15 |
5 |
27454 |
101.7 |
2.9 |
0.306 |
0 |
0 |
0 |
0.000 |
| Average: |
102.8 |
2.9 |
0.302 |
0 |
0 |
0 |
0.000 |
| 14 |
36 |
|
C |
11 |
4 |
27456 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
27454 |
91.6 |
-0.2 |
0.519 |
0 |
1 |
0 |
0.000 |
37 |
|
C |
10 |
3 |
27456 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
11 |
6 |
27454 |
87.5 |
-0.3 |
0.528 |
0 |
0 |
0 |
0.000 |
| Average: |
89.6 |
-0.2 |
0.523 |
0 |
1 |
0 |
0.000 |
| 15 |
38 |
|
[NAG]C:3762 |
9 |
1 |
357 |
cf |
[NAG]C:3755 |
x,y,z |
1_555 |
9 |
1 |
350 |
88.0 |
2.6 |
0.111 |
1 |
0 |
0 |
0.000 |
39 |
|
[NAG]D:4762 |
8 |
1 |
358 |
cf |
[NAG]D:4755 |
x,y,z |
1_555 |
10 |
1 |
352 |
87.8 |
2.6 |
0.100 |
1 |
0 |
0 |
0.000 |
40 |
|
[NAG]B:2762 |
9 |
1 |
359 |
cf |
[NAG]B:2755 |
x,y,z |
1_555 |
9 |
1 |
351 |
87.8 |
2.6 |
0.114 |
1 |
0 |
0 |
0.000 |
41 |
|
[NAG]A:1762 |
9 |
1 |
356 |
cf |
[NAG]A:1755 |
x,y,z |
1_555 |
10 |
1 |
349 |
87.3 |
2.5 |
0.087 |
1 |
0 |
0 |
0.000 |
| Average: |
87.7 |
2.6 |
0.103 |
1 |
0 |
0 |
0.000 |
| 16 |
42 |
|
[NAG]C:3764 |
6 |
1 |
351 |
◊ |
[NDG]D:4763 |
-x,y-1/2,-z+1 |
2_546 |
9 |
1 |
363 |
79.5 |
2.4 |
0.079 |
0 |
0 |
0 |
0.000 |
| 17 |
43 |
|
[NDG]C:3761 |
9 |
1 |
361 |
cf |
[NAG]C:3754 |
x,y,z |
1_555 |
8 |
1 |
358 |
77.8 |
2.5 |
0.062 |
0 |
0 |
0 |
0.000 |
44 |
|
[NDG]A:1761 |
9 |
1 |
360 |
cf |
[NAG]A:1754 |
x,y,z |
1_555 |
9 |
1 |
357 |
77.4 |
2.4 |
0.048 |
0 |
0 |
0 |
0.000 |
45 |
|
[NDG]D:4761 |
9 |
1 |
360 |
cf |
[NAG]D:4754 |
x,y,z |
1_555 |
8 |
1 |
358 |
77.1 |
2.4 |
0.063 |
0 |
0 |
0 |
0.000 |
46 |
|
[NDG]B:2761 |
9 |
1 |
359 |
cf |
[NAG]B:2754 |
x,y,z |
1_555 |
8 |
1 |
354 |
75.8 |
2.4 |
0.058 |
0 |
0 |
0 |
0.000 |
| Average: |
77.0 |
2.4 |
0.058 |
0 |
0 |
0 |
0.000 |
| 18 |
47 |
|
[NDG]D:4763 |
9 |
1 |
363 |
cf |
[NDG]D:4756 |
x,y,z |
1_555 |
7 |
1 |
354 |
76.3 |
2.1 |
0.044 |
1 |
0 |
0 |
0.000 |
48 |
|
[NDG]B:2763 |
9 |
1 |
361 |
cf |
[NDG]B:2756 |
x,y,z |
1_555 |
8 |
1 |
355 |
76.1 |
2.1 |
0.043 |
1 |
0 |
0 |
0.000 |
49 |
|
[NDG]A:1763 |
9 |
1 |
361 |
cf |
[NDG]A:1756 |
x,y,z |
1_555 |
8 |
1 |
354 |
75.3 |
2.1 |
0.043 |
1 |
0 |
0 |
0.000 |
50 |
|
[NDG]C:3763 |
9 |
1 |
361 |
cf |
[NDG]C:3756 |
x,y,z |
1_555 |
8 |
1 |
354 |
75.1 |
2.1 |
0.041 |
1 |
0 |
0 |
0.000 |
| Average: |
75.7 |
2.1 |
0.043 |
1 |
0 |
0 |
0.000 |
| 19 |
51 |
|
B |
11 |
6 |
27442 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
27454 |
70.6 |
0.6 |
0.730 |
1 |
1 |
0 |
0.000 |
52 |
|
B |
8 |
3 |
27442 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
27454 |
55.5 |
0.8 |
0.769 |
0 |
1 |
0 |
0.000 |
| Average: |
63.1 |
0.7 |
0.749 |
1 |
1 |
0 |
0.000 |
| 20 |
53 |
|
[NAG]D:4765 |
9 |
1 |
362 |
cf |
[NAG]D:4758 |
x,y,z |
1_555 |
6 |
1 |
358 |
69.8 |
1.6 |
0.075 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]B:2765 |
9 |
1 |
361 |
cf |
[NAG]B:2758 |
x,y,z |
1_555 |
7 |
1 |
357 |
69.4 |
1.6 |
0.065 |
0 |
0 |
0 |
0.000 |
55 |
|
[NAG]C:3765 |
9 |
1 |
360 |
cf |
[NAG]C:3758 |
x,y,z |
1_555 |
6 |
1 |
359 |
69.3 |
1.7 |
0.079 |
0 |
0 |
0 |
0.000 |
56 |
|
[NAG]A:1765 |
9 |
1 |
361 |
cf |
[NAG]A:1758 |
x,y,z |
1_555 |
7 |
1 |
359 |
69.0 |
1.6 |
0.069 |
0 |
0 |
0 |
0.000 |
| Average: |
69.4 |
1.6 |
0.072 |
0 |
0 |
0 |
0.000 |
| 21 |
57 |
|
[NAG]A:1764 |
8 |
1 |
351 |
cf |
[NAG]A:1757 |
x,y,z |
1_555 |
5 |
1 |
359 |
68.9 |
1.1 |
0.090 |
0 |
0 |
0 |
0.000 |
58 |
|
[NAG]C:3764 |
8 |
1 |
351 |
cf |
[NAG]C:3757 |
x,y,z |
1_555 |
5 |
1 |
360 |
68.6 |
1.2 |
0.098 |
0 |
0 |
0 |
0.000 |
59 |
|
[NAG]B:2764 |
8 |
1 |
350 |
cf |
[NAG]B:2757 |
x,y,z |
1_555 |
5 |
1 |
361 |
67.8 |
1.1 |
0.090 |
0 |
0 |
0 |
0.000 |
60 |
|
[NAG]D:4764 |
9 |
1 |
351 |
cf |
[NAG]D:4757 |
x,y,z |
1_555 |
5 |
1 |
361 |
67.2 |
1.1 |
0.085 |
0 |
0 |
0 |
0.000 |
| Average: |
68.1 |
1.1 |
0.091 |
0 |
0 |
0 |
0.000 |
| 22 |
61 |
|
[NDG]A:1756 |
9 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
7 |
2 |
27452 |
67.0 |
2.1 |
0.256 |
0 |
0 |
0 |
0.000 |
62 |
|
[NDG]B:2756 |
9 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
27442 |
67.0 |
2.1 |
0.262 |
0 |
0 |
0 |
0.000 |
63 |
|
[NDG]D:4756 |
9 |
1 |
354 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
27454 |
66.9 |
2.1 |
0.258 |
0 |
0 |
0 |
0.000 |
64 |
|
[NDG]C:3756 |
9 |
1 |
354 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
27456 |
66.7 |
2.1 |
0.257 |
0 |
0 |
0 |
0.000 |
| Average: |
66.9 |
2.1 |
0.258 |
0 |
0 |
0 |
0.000 |
| 23 |
65 |
|
[NAG]B:2764 |
6 |
1 |
350 |
c |
[NDG]A:1763 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
361 |
55.9 |
3.0 |
0.268 |
0 |
0 |
0 |
0.000 |
66 |
|
[NDG]C:3763 |
2 |
1 |
361 |
◊ |
[NAG]D:4764 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
351 |
37.9 |
2.2 |
0.609 |
0 |
0 |
0 |
0.000 |
| Average: |
46.9 |
2.6 |
0.439 |
0 |
0 |
0 |
0.000 |
| 24 |
67 |
|
C |
3 |
1 |
27456 |
◊ |
[NAG]D:4762 |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
358 |
54.1 |
-0.5 |
0.026 |
0 |
0 |
0 |
0.000 |
| 25 |
68 |
|
[ZN]D:4752 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
27454 |
49.6 |
-33.5 |
0.000 |
0 |
0 |
0 |
1.000 |
69 |
|
[ZN]C:3752 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
27456 |
49.3 |
-32.8 |
0.000 |
0 |
0 |
0 |
1.000 |
70 |
|
[ZN]B:2752 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
27442 |
49.2 |
-33.4 |
0.000 |
0 |
0 |
0 |
1.000 |
71 |
|
[ZN]A:1752 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
27452 |
48.7 |
-33.4 |
0.000 |
0 |
0 |
0 |
1.000 |
72 |
|
[ZN]C:3751 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
27456 |
45.2 |
-32.8 |
0.000 |
0 |
0 |
0 |
1.000 |
73 |
|
[ZN]D:4751 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
27454 |
45.0 |
-32.6 |
0.000 |
0 |
0 |
0 |
1.000 |
74 |
|
[ZN]B:2751 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
27442 |
45.0 |
-32.5 |
0.000 |
0 |
0 |
0 |
1.000 |
75 |
|
[ZN]A:1751 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
27452 |
44.8 |
-32.4 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
47.1 |
-32.9 |
0.000 |
0 |
0 |
0 |
1.000 |
| 26 |
76 |
|
[NDG]D:4761 |
3 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
27454 |
47.7 |
1.0 |
0.447 |
0 |
0 |
0 |
0.000 |
77 |
|
[NDG]B:2761 |
3 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
27442 |
47.3 |
1.0 |
0.440 |
0 |
0 |
0 |
0.000 |
78 |
|
[NDG]A:1761 |
3 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
27452 |
47.3 |
1.0 |
0.442 |
0 |
0 |
0 |
0.000 |
79 |
|
[NDG]C:3761 |
3 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
27456 |
46.5 |
1.0 |
0.435 |
0 |
0 |
0 |
0.000 |
| Average: |
47.2 |
1.0 |
0.441 |
0 |
0 |
0 |
0.000 |
| 27 |
80 |
|
[NAG]A:1764 |
4 |
1 |
351 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
27452 |
42.6 |
0.7 |
0.373 |
0 |
0 |
0 |
0.000 |
81 |
|
[NAG]C:3764 |
4 |
1 |
351 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
27456 |
41.8 |
0.7 |
0.373 |
0 |
0 |
0 |
0.000 |
82 |
|
[NAG]B:2764 |
4 |
1 |
350 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
27442 |
41.4 |
0.7 |
0.374 |
0 |
0 |
0 |
0.000 |
83 |
|
[NAG]D:4764 |
4 |
1 |
351 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
27454 |
41.2 |
0.7 |
0.384 |
0 |
0 |
0 |
0.000 |
| Average: |
41.8 |
0.7 |
0.376 |
0 |
0 |
0 |
0.000 |
| 28 |
84 |
|
C |
8 |
4 |
27456 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
27442 |
38.0 |
-0.8 |
0.357 |
0 |
0 |
0 |
0.000 |
| 29 |
85 |
|
[NAG]A:1759 |
3 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
27442 |
36.3 |
-0.1 |
0.248 |
0 |
0 |
0 |
0.001 |
86 |
|
[NAG]C:3759 |
3 |
1 |
352 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
27454 |
32.3 |
-0.1 |
0.268 |
0 |
0 |
0 |
0.001 |
87 |
|
[NAG]D:4759 |
3 |
1 |
354 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
27456 |
28.6 |
-0.0 |
0.282 |
0 |
0 |
0 |
0.001 |
88 |
|
[NAG]B:2759 |
3 |
1 |
353 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
27452 |
27.1 |
-0.0 |
0.289 |
0 |
0 |
0 |
0.001 |
| Average: |
31.1 |
-0.1 |
0.272 |
0 |
0 |
0 |
0.001 |
| 30 |
89 |
|
[NAG]A:1765 |
6 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
27452 |
36.1 |
1.2 |
0.312 |
0 |
0 |
0 |
0.000 |
90 |
|
[NAG]D:4765 |
6 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
27454 |
35.5 |
1.2 |
0.304 |
0 |
0 |
0 |
0.000 |
91 |
|
[NAG]C:3765 |
6 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
27456 |
35.2 |
1.2 |
0.312 |
0 |
0 |
0 |
0.000 |
92 |
|
[NAG]B:2765 |
6 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
27442 |
35.2 |
1.2 |
0.312 |
0 |
0 |
0 |
0.000 |
| Average: |
35.5 |
1.2 |
0.310 |
0 |
0 |
0 |
0.000 |
| 31 |
93 |
|
B |
6 |
3 |
27442 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
3 |
27454 |
31.9 |
1.5 |
0.898 |
0 |
0 |
0 |
0.000 |
| 32 |
94 |
|
[NAG]B:2762 |
3 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
27442 |
27.9 |
0.6 |
0.437 |
0 |
0 |
0 |
0.000 |
95 |
|
[NAG]D:4762 |
3 |
1 |
358 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
27454 |
27.8 |
0.6 |
0.438 |
0 |
0 |
0 |
0.000 |
96 |
|
[NAG]C:3762 |
3 |
1 |
357 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
27456 |
27.4 |
0.6 |
0.438 |
0 |
0 |
0 |
0.000 |
97 |
|
[NAG]A:1762 |
3 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
27452 |
27.1 |
0.6 |
0.434 |
0 |
0 |
0 |
0.000 |
| Average: |
27.6 |
0.6 |
0.437 |
0 |
0 |
0 |
0.000 |
| 33 |
98 |
|
[NDG]B:2763 |
3 |
1 |
361 |
◊ |
[NAG]A:1764 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
351 |
26.6 |
1.3 |
0.225 |
0 |
0 |
0 |
0.000 |
| 34 |
99 |
|
[NDG]C:3763 |
5 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
27456 |
19.9 |
0.1 |
0.129 |
0 |
0 |
0 |
0.000 |
100 |
|
[NDG]D:4763 |
5 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
27454 |
19.6 |
0.1 |
0.128 |
0 |
0 |
0 |
0.000 |
101 |
|
[NDG]A:1763 |
5 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
27452 |
19.5 |
0.1 |
0.134 |
0 |
0 |
0 |
0.000 |
102 |
|
[NDG]B:2763 |
5 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
27442 |
19.2 |
0.1 |
0.132 |
0 |
0 |
0 |
0.000 |
| Average: |
19.5 |
0.1 |
0.131 |
0 |
0 |
0 |
0.000 |
| 35 |
103 |
|
[ZN]A:1752 |
1 |
1 |
98 |
f |
[ZN]A:1751 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.4 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.113 |
| 36 |
104 |
|
[ZN]B:2752 |
1 |
1 |
98 |
f |
[ZN]B:2751 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.3 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.112 |
| 37 |
105 |
|
[ZN]D:4752 |
1 |
1 |
98 |
f |
[ZN]D:4751 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.3 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.111 |
| 38 |
106 |
|
[ZN]C:3752 |
1 |
1 |
98 |
f |
[ZN]C:3751 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.110 |
| 39 |
107 |
|
B |
1 |
1 |
27442 |
◊ |
[NAG]D:4754 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
358 |
15.2 |
0.4 |
0.426 |
0 |
0 |
0 |
0.000 |
| 40 |
108 |
|
C |
3 |
2 |
27456 |
◊ |
[NAG]D:4755 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
352 |
13.4 |
-0.2 |
0.198 |
0 |
0 |
0 |
0.000 |
| 41 |
109 |
|
B |
2 |
1 |
27442 |
◊ |
[NDG]A:1761 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
360 |
10.5 |
0.2 |
0.394 |
0 |
0 |
0 |
0.000 |
110 |
|
[NDG]C:3761 |
1 |
1 |
361 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
27454 |
2.7 |
0.0 |
0.209 |
0 |
0 |
0 |
0.000 |
| Average: |
6.6 |
0.1 |
0.302 |
0 |
0 |
0 |
0.000 |
| 42 |
111 |
|
[NDG]B:2763 |
2 |
1 |
361 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
27452 |
9.3 |
0.5 |
0.347 |
0 |
0 |
0 |
0.000 |
| 43 |
112 |
|
D |
2 |
1 |
27454 |
◊ |
[NDG]D:4756 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
354 |
6.1 |
-0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
113 |
|
[NDG]B:2756 |
1 |
1 |
355 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
27442 |
4.1 |
-0.0 |
0.154 |
0 |
0 |
0 |
0.000 |
| Average: |
5.1 |
-0.0 |
0.164 |
0 |
0 |
0 |
0.000 |
| 44 |
114 |
|
[NAG]B:2764 |
1 |
1 |
350 |
◊ |
[NDG]A:1756 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
354 |
4.4 |
0.0 |
0.124 |
0 |
0 |
0 |
0.000 |
| 45 |
115 |
|
C |
2 |
1 |
27456 |
◊ |
[NDG]D:4763 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
363 |
3.3 |
0.1 |
0.338 |
0 |
0 |
0 |
0.000 |
| 46 |
116 |
|
[NAG]C:3764 |
1 |
1 |
351 |
◊ |
[NDG]D:4756 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
354 |
0.6 |
-0.0 |
0.101 |
0 |
0 |
0 |
0.000 |
|