| ## |
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 |
|
B |
96 |
34 |
18148 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
104 |
30 |
18226 |
934.0 |
-10.8 |
0.239 |
3 |
0 |
0 |
0.000 |
2 |
|
B |
99 |
26 |
18148 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
96 |
32 |
18226 |
855.5 |
-10.3 |
0.242 |
2 |
0 |
0 |
0.000 |
| Average: |
894.8 |
-10.5 |
0.240 |
3 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
64 |
18 |
18148 |
◊ |
A |
x,y,z |
1_555 |
66 |
18 |
18226 |
661.3 |
-8.0 |
0.224 |
6 |
4 |
0 |
0.044 |
| 3 |
4 |
|
B |
49 |
16 |
18148 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
46 |
15 |
18226 |
425.4 |
0.8 |
0.810 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[NAG]B:507 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
25 |
7 |
18148 |
162.3 |
3.8 |
0.429 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[NAG]A:508 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
24 |
7 |
18226 |
161.2 |
4.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[NAG]B:512 |
10 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
22 |
9 |
18148 |
139.6 |
4.6 |
0.580 |
0 |
0 |
0 |
0.000 |
8 |
|
[NAG]A:513 |
10 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
22 |
10 |
18226 |
136.4 |
4.5 |
0.594 |
0 |
0 |
0 |
0.000 |
| Average: |
138.0 |
4.6 |
0.587 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[GOL]B:519 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
18148 |
134.6 |
-0.1 |
0.654 |
1 |
0 |
0 |
0.002 |
| 8 |
10 |
|
[GOL]A:522 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
18226 |
128.1 |
-0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[GOL]A:518 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
18226 |
127.7 |
-1.0 |
0.455 |
1 |
0 |
0 |
0.006 |
| 10 |
12 |
|
[GOL]B:523 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
18148 |
127.4 |
-0.3 |
0.586 |
1 |
0 |
0 |
0.003 |
| 11 |
13 |
|
[GOL]B:522 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
18148 |
125.1 |
-0.5 |
0.570 |
1 |
0 |
0 |
0.004 |
| 12 |
14 |
|
[NAG]A:516 |
10 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
20 |
6 |
18226 |
125.0 |
3.9 |
0.522 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]B:515 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
20 |
6 |
18148 |
119.9 |
3.6 |
0.435 |
0 |
0 |
0 |
0.000 |
| Average: |
122.4 |
3.8 |
0.479 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[GOL]A:521 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
18226 |
124.9 |
-0.5 |
0.546 |
0 |
0 |
0 |
0.002 |
| 14 |
17 |
|
[GOL]A:523 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
18226 |
123.1 |
-1.1 |
0.505 |
0 |
0 |
0 |
0.004 |
| 15 |
18 |
|
[GOL]B:521 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
18148 |
122.6 |
1.6 |
0.738 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[GOL]A:520 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
18226 |
115.3 |
0.2 |
0.640 |
1 |
0 |
0 |
0.001 |
| 17 |
20 |
|
[GOL]B:518 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18148 |
114.6 |
-0.1 |
0.611 |
1 |
0 |
0 |
0.002 |
| 18 |
21 |
|
[GOL]B:520 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
18148 |
112.6 |
-0.3 |
0.619 |
3 |
0 |
0 |
0.006 |
| 19 |
22 |
|
[GOL]B:517 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
18148 |
106.6 |
1.0 |
0.759 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
B |
15 |
3 |
18148 |
f |
[GOL]A:519 |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
219 |
93.0 |
-1.4 |
0.405 |
0 |
0 |
0 |
0.006 |
| 21 |
24 |
|
[NAG]A:505 |
9 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
10 |
5 |
18226 |
85.0 |
2.6 |
0.420 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]B:505 |
9 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
11 |
5 |
18148 |
84.6 |
2.3 |
0.382 |
1 |
0 |
0 |
0.000 |
| Average: |
84.8 |
2.5 |
0.401 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[NAG]A:517 |
10 |
1 |
366 |
cf |
[NAG]A:516 |
x,y,z |
1_555 |
7 |
1 |
360 |
77.9 |
2.0 |
0.087 |
0 |
0 |
0 |
0.000 |
27 |
|
[NAG]B:516 |
9 |
1 |
364 |
cf |
[NAG]B:515 |
x,y,z |
1_555 |
6 |
1 |
361 |
73.3 |
2.0 |
0.124 |
0 |
0 |
0 |
0.000 |
| Average: |
75.6 |
2.0 |
0.105 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[NAG]B:506 |
10 |
1 |
347 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
6 |
1 |
359 |
71.9 |
1.4 |
0.098 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[NAG]B:513 |
9 |
1 |
363 |
cf |
[NAG]B:512 |
x,y,z |
1_555 |
6 |
1 |
359 |
71.7 |
1.8 |
0.094 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]A:514 |
9 |
1 |
361 |
cf |
[NAG]A:513 |
x,y,z |
1_555 |
6 |
1 |
358 |
70.2 |
1.6 |
0.091 |
0 |
0 |
0 |
0.000 |
| Average: |
71.0 |
1.7 |
0.093 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[NAG]A:507 |
11 |
1 |
352 |
cf |
[NAG]A:505 |
x,y,z |
1_555 |
6 |
1 |
361 |
71.4 |
1.7 |
0.081 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[NAG]A:509 |
8 |
1 |
358 |
cf |
[NAG]A:508 |
x,y,z |
1_555 |
6 |
1 |
363 |
66.0 |
1.3 |
0.104 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[FUC]A:515 |
5 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
18226 |
65.4 |
0.9 |
0.419 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[NAG]B:508 |
8 |
1 |
356 |
cf |
[NAG]B:507 |
x,y,z |
1_555 |
5 |
1 |
362 |
64.6 |
1.4 |
0.114 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[NAG]B:513 |
6 |
1 |
363 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
3 |
18226 |
62.2 |
1.7 |
0.442 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[BMA]B:509 |
6 |
1 |
292 |
cf |
[NAG]B:513 |
x,y,z |
1_555 |
7 |
1 |
363 |
61.2 |
1.2 |
0.084 |
0 |
0 |
0 |
0.000 |
37 |
|
[BMA]A:510 |
6 |
1 |
292 |
cf |
[NAG]A:514 |
x,y,z |
1_555 |
6 |
1 |
361 |
58.4 |
0.9 |
0.099 |
0 |
0 |
0 |
0.000 |
| Average: |
59.8 |
1.1 |
0.091 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[FUC]A:506 |
6 |
1 |
283 |
cf |
[NAG]A:505 |
x,y,z |
1_555 |
6 |
1 |
361 |
58.9 |
1.9 |
0.130 |
0 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[MAN]A:512 |
6 |
1 |
292 |
cf |
[BMA]A:510 |
x,y,z |
1_555 |
4 |
1 |
292 |
57.4 |
2.1 |
0.209 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[NAG]B:508 |
6 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
18148 |
57.3 |
1.4 |
0.376 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[MAN]B:511 |
6 |
1 |
293 |
cf |
[BMA]B:509 |
x,y,z |
1_555 |
5 |
1 |
292 |
57.3 |
2.4 |
0.221 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
[FUC]B:504 |
6 |
1 |
283 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
5 |
1 |
359 |
56.4 |
2.2 |
0.191 |
0 |
0 |
0 |
0.000 |
43 |
|
[FUC]A:515 |
6 |
1 |
278 |
cf |
[NAG]A:516 |
x,y,z |
1_555 |
5 |
1 |
360 |
54.0 |
1.1 |
0.145 |
0 |
0 |
0 |
0.000 |
| Average: |
55.2 |
1.7 |
0.168 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[MAN]B:510 |
6 |
1 |
291 |
cf |
[BMA]B:509 |
x,y,z |
1_555 |
5 |
1 |
292 |
56.3 |
1.7 |
0.203 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[MAN]B:510 |
5 |
1 |
291 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
2 |
18226 |
56.0 |
0.4 |
0.344 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
B |
6 |
2 |
18148 |
◊ |
[MAN]A:511 |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
1 |
289 |
54.8 |
-0.2 |
0.217 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[FUC]B:514 |
4 |
1 |
278 |
cf |
[NAG]B:515 |
x,y,z |
1_555 |
4 |
1 |
361 |
54.6 |
2.5 |
0.377 |
0 |
0 |
0 |
0.000 |
| 40 |
48 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
18226 |
53.2 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.231 |
49 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
18148 |
48.7 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.231 |
| Average: |
51.0 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.231 |
| 41 |
50 |
|
[MAN]A:511 |
4 |
1 |
289 |
cf |
[BMA]A:510 |
x,y,z |
1_555 |
5 |
1 |
292 |
52.2 |
1.6 |
0.282 |
0 |
0 |
0 |
0.000 |
| 42 |
51 |
|
[FUC]B:504 |
3 |
1 |
283 |
f |
[NAG]B:506 |
x,y,z |
1_555 |
7 |
1 |
347 |
52.1 |
1.5 |
0.229 |
0 |
0 |
0 |
0.000 |
| 43 |
52 |
|
[FUC]A:506 |
4 |
1 |
283 |
f |
[NAG]A:507 |
x,y,z |
1_555 |
7 |
1 |
352 |
51.3 |
2.2 |
0.213 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[MAN]A:512 |
6 |
1 |
292 |
f |
[NAG]A:514 |
x,y,z |
1_555 |
6 |
1 |
361 |
51.0 |
2.2 |
0.147 |
0 |
0 |
0 |
0.000 |
| 45 |
54 |
|
[FUC]B:514 |
4 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
18148 |
51.0 |
1.1 |
0.463 |
0 |
0 |
0 |
0.000 |
| 46 |
55 |
|
B |
8 |
4 |
18148 |
◊ |
[NAG]A:514 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
361 |
50.3 |
1.1 |
0.337 |
0 |
0 |
0 |
0.000 |
| 47 |
56 |
|
[MAN]B:511 |
6 |
1 |
293 |
f |
[NAG]B:513 |
x,y,z |
1_555 |
6 |
1 |
363 |
48.9 |
2.1 |
0.172 |
0 |
0 |
0 |
0.000 |
| 48 |
57 |
|
[NAG]A:509 |
5 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
18226 |
48.0 |
1.0 |
0.392 |
0 |
0 |
0 |
0.000 |
| 49 |
58 |
|
[MAN]B:511 |
5 |
1 |
293 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
3 |
18226 |
44.5 |
-0.4 |
0.181 |
0 |
0 |
0 |
0.000 |
| 50 |
59 |
|
[FUC]B:514 |
5 |
1 |
278 |
f |
[NAG]B:516 |
x,y,z |
1_555 |
5 |
1 |
364 |
43.2 |
2.1 |
0.234 |
0 |
0 |
0 |
0.000 |
| 51 |
60 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
18226 |
41.4 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.180 |
61 |
|
[ZN]A:524 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
18148 |
41.3 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.180 |
| Average: |
41.3 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.180 |
| 52 |
62 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
18148 |
40.3 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.238 |
63 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
18226 |
39.5 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.238 |
| Average: |
39.9 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.238 |
| 53 |
64 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
18148 |
40.2 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.243 |
65 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
18226 |
39.8 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.243 |
| Average: |
40.0 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.243 |
| 54 |
66 |
|
[GOL]A:519 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
18226 |
39.8 |
-0.3 |
0.572 |
0 |
0 |
0 |
0.000 |
| 55 |
67 |
|
[FUC]A:515 |
3 |
1 |
278 |
f |
[NAG]A:517 |
x,y,z |
1_555 |
5 |
1 |
366 |
39.0 |
2.1 |
0.283 |
0 |
0 |
0 |
0.000 |
| 56 |
68 |
|
[ZN]A:504 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
18148 |
35.7 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.129 |
69 |
|
[ZN]A:524 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
18226 |
34.2 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.129 |
| Average: |
34.9 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.129 |
| 57 |
70 |
|
B |
6 |
2 |
18148 |
◊ |
[BMA]A:510 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
292 |
35.5 |
0.7 |
0.465 |
0 |
0 |
0 |
0.000 |
| 58 |
71 |
|
B |
4 |
2 |
18148 |
◊ |
[MAN]A:512 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
292 |
35.1 |
-0.4 |
0.201 |
0 |
0 |
0 |
0.000 |
| 59 |
72 |
|
[FUC]A:506 |
3 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
18226 |
34.6 |
1.2 |
0.442 |
0 |
0 |
0 |
0.000 |
| 60 |
73 |
|
[GOL]B:522 |
2 |
1 |
217 |
f |
[GOL]B:521 |
x,y,z |
1_555 |
3 |
1 |
218 |
33.8 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
| 61 |
74 |
|
[NAG]A:517 |
4 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
18226 |
33.5 |
0.4 |
0.284 |
0 |
0 |
0 |
0.000 |
| 62 |
75 |
|
[GOL]B:520 |
4 |
1 |
218 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
18226 |
32.5 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
| 63 |
76 |
|
[BMA]B:509 |
3 |
1 |
292 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
2 |
18226 |
31.9 |
0.5 |
0.407 |
0 |
0 |
0 |
0.000 |
| 64 |
77 |
|
[NAG]B:507 |
3 |
1 |
362 |
◊ |
[MAN]A:511 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
289 |
28.4 |
1.0 |
0.224 |
0 |
0 |
0 |
0.000 |
| 65 |
78 |
|
[NAG]B:516 |
3 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
6 |
1 |
18148 |
26.9 |
0.2 |
0.339 |
0 |
0 |
0 |
0.000 |
| 66 |
79 |
|
[FUC]B:504 |
3 |
1 |
283 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
18148 |
26.0 |
0.7 |
0.408 |
0 |
0 |
0 |
0.000 |
| 67 |
80 |
|
[NAG]B:513 |
4 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
18148 |
24.0 |
0.6 |
0.349 |
0 |
0 |
0 |
0.000 |
81 |
|
[NAG]A:514 |
2 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
18226 |
14.9 |
0.4 |
0.417 |
0 |
0 |
0 |
0.000 |
| Average: |
19.5 |
0.5 |
0.383 |
0 |
0 |
0 |
0.000 |
| 68 |
82 |
|
[NAG]B:506 |
1 |
1 |
347 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
18226 |
19.4 |
1.0 |
0.834 |
0 |
0 |
0 |
0.000 |
| 69 |
83 |
|
[MAN]B:510 |
1 |
1 |
291 |
◊ |
[NAG]A:508 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
363 |
16.3 |
0.7 |
0.378 |
0 |
0 |
0 |
0.000 |
| 70 |
84 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.047 |
| 71 |
85 |
|
[FUC]B:504 |
2 |
1 |
283 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
18226 |
14.2 |
-0.1 |
0.399 |
0 |
0 |
0 |
0.000 |
| 72 |
86 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.045 |
| 73 |
87 |
|
[GOL]B:521 |
1 |
1 |
218 |
f |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| 74 |
88 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.033 |
| 75 |
89 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.029 |
| 76 |
90 |
|
B |
2 |
1 |
18148 |
◊ |
[NAG]A:513 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
358 |
7.9 |
-0.0 |
0.337 |
0 |
0 |
0 |
0.000 |
| 77 |
91 |
|
[MAN]B:510 |
2 |
1 |
291 |
f |
[NAG]B:513 |
x,y,z |
1_555 |
2 |
1 |
363 |
7.7 |
-0.4 |
0.187 |
0 |
0 |
0 |
0.002 |
| 78 |
92 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
[ZN]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 79 |
93 |
|
[MAN]A:511 |
2 |
1 |
289 |
f |
[NAG]A:514 |
x,y,z |
1_555 |
1 |
1 |
361 |
6.2 |
-0.2 |
0.194 |
0 |
0 |
0 |
0.000 |
| 80 |
94 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| 81 |
95 |
|
[GOL]B:522 |
1 |
1 |
217 |
f |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 82 |
96 |
|
[NAG]B:512 |
2 |
1 |
359 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
2 |
18226 |
2.9 |
0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
| 83 |
97 |
|
[GOL]B:517 |
1 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18226 |
2.5 |
-0.0 |
0.457 |
0 |
0 |
0 |
0.000 |
| 84 |
98 |
|
[GOL]B:521 |
1 |
1 |
218 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
99 |
|
[GOL]A:518 |
2 |
1 |
218 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
2.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
|