## |
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 |
131 |
42 |
8651 |
◊ |
A |
x,y,z |
1_555 |
132 |
42 |
8645 |
1419.1 |
-24.4 |
0.015 |
18 |
8 |
0 |
0.498 |
2 |
|
C |
133 |
43 |
8682 |
◊ |
B |
x,y,z |
1_555 |
131 |
41 |
8547 |
1409.9 |
-24.0 |
0.017 |
19 |
8 |
0 |
0.498 |
Average: |
1414.5 |
-24.2 |
0.016 |
19 |
8 |
0 |
0.498 |
2 |
3 |
|
D |
49 |
12 |
8651 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
48 |
13 |
8645 |
433.4 |
0.5 |
0.824 |
8 |
0 |
0 |
0.000 |
4 |
|
B |
50 |
13 |
8547 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
46 |
12 |
8682 |
419.2 |
0.8 |
0.841 |
7 |
0 |
0 |
0.000 |
Average: |
426.3 |
0.6 |
0.832 |
8 |
0 |
0 |
0.000 |
3 |
5 |
|
D |
36 |
13 |
8651 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
8547 |
328.1 |
-4.1 |
0.317 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
23 |
8 |
8645 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
3 |
8682 |
186.3 |
-1.3 |
0.476 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
21 |
8 |
8645 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
9 |
8547 |
171.1 |
-0.7 |
0.621 |
6 |
4 |
0 |
0.000 |
6 |
8 |
|
[NAG]D:182 |
14 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
8645 |
156.3 |
5.6 |
0.534 |
5 |
0 |
0 |
0.000 |
9 |
|
[NAG]A:182 |
13 |
1 |
361 |
◊ |
D |
x,y,z |
1_555 |
26 |
10 |
8651 |
153.3 |
5.4 |
0.526 |
4 |
0 |
0 |
0.000 |
10 |
|
[NAG]B:182 |
13 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
23 |
9 |
8682 |
152.0 |
5.5 |
0.555 |
5 |
0 |
0 |
0.000 |
11 |
|
[NAG]C:182 |
12 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
8547 |
149.3 |
5.3 |
0.586 |
4 |
0 |
0 |
0.000 |
Average: |
152.7 |
5.4 |
0.550 |
5 |
0 |
0 |
0.000 |
7 |
12 |
|
C |
21 |
7 |
8682 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
7 |
8547 |
155.3 |
-1.4 |
0.517 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
18 |
7 |
8645 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
16 |
4 |
8651 |
135.2 |
-0.7 |
0.598 |
0 |
0 |
0 |
0.000 |
Average: |
145.3 |
-1.1 |
0.558 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
[NAG]D:181 |
10 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
8645 |
134.4 |
2.2 |
0.353 |
1 |
0 |
0 |
0.000 |
15 |
|
[NAG]C:181 |
9 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
8547 |
131.9 |
2.3 |
0.404 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:181 |
9 |
1 |
361 |
◊ |
D |
x,y,z |
1_555 |
16 |
8 |
8651 |
131.3 |
2.3 |
0.392 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]B:181 |
9 |
1 |
358 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
8682 |
129.8 |
2.0 |
0.369 |
1 |
0 |
0 |
0.000 |
Average: |
131.8 |
2.2 |
0.380 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
A |
12 |
4 |
8645 |
◊ |
C |
x-1,y,z+1 |
1_456 |
16 |
5 |
8682 |
127.7 |
1.7 |
0.864 |
3 |
1 |
0 |
0.000 |
10 |
19 |
|
[NAG]D:181 |
7 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
13 |
4 |
8651 |
98.8 |
3.2 |
0.600 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:181 |
7 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
13 |
4 |
8645 |
94.9 |
3.2 |
0.591 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]B:181 |
7 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
8547 |
94.6 |
3.2 |
0.601 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]C:181 |
7 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
13 |
4 |
8682 |
92.5 |
3.1 |
0.586 |
0 |
0 |
0 |
0.000 |
Average: |
95.2 |
3.1 |
0.594 |
0 |
0 |
0 |
0.000 |
11 |
23 |
|
[BMA]D:183 |
8 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
8645 |
94.6 |
1.6 |
0.359 |
0 |
0 |
0 |
0.000 |
24 |
|
[BMA]B:183 |
8 |
1 |
290 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
8682 |
92.4 |
1.5 |
0.342 |
0 |
0 |
0 |
0.000 |
25 |
|
[BMA]A:183 |
8 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
8651 |
87.4 |
1.7 |
0.344 |
0 |
0 |
0 |
0.000 |
Average: |
91.5 |
1.6 |
0.348 |
0 |
0 |
0 |
0.000 |
12 |
26 |
|
[MAN]A:185 |
7 |
1 |
292 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
8651 |
94.2 |
1.5 |
0.363 |
4 |
0 |
0 |
0.018 |
27 |
|
[MAN]C:185 |
8 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
8547 |
92.7 |
1.3 |
0.325 |
5 |
0 |
0 |
0.018 |
28 |
|
[MAN]D:185 |
8 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8645 |
90.2 |
1.5 |
0.306 |
3 |
0 |
0 |
0.018 |
29 |
|
[MAN]B:185 |
8 |
1 |
292 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
8682 |
89.6 |
1.4 |
0.369 |
4 |
0 |
0 |
0.018 |
Average: |
91.7 |
1.4 |
0.341 |
4 |
0 |
0 |
0.018 |
13 |
30 |
|
C |
6 |
3 |
8682 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
6 |
8645 |
92.4 |
2.6 |
0.931 |
1 |
2 |
0 |
0.000 |
14 |
31 |
|
[MAN]C:184 |
9 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
8547 |
90.6 |
1.1 |
0.295 |
2 |
0 |
0 |
0.000 |
32 |
|
[MAN]D:184 |
8 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
8645 |
87.8 |
1.1 |
0.315 |
1 |
0 |
0 |
0.000 |
33 |
|
[MAN]A:184 |
8 |
1 |
289 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
8651 |
86.8 |
1.2 |
0.322 |
2 |
0 |
0 |
0.000 |
34 |
|
[MAN]B:184 |
9 |
1 |
290 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
8682 |
83.9 |
1.3 |
0.312 |
1 |
0 |
0 |
0.000 |
Average: |
87.3 |
1.2 |
0.311 |
2 |
0 |
0 |
0.000 |
15 |
35 |
|
[BMA]C:183 |
8 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
8547 |
86.3 |
1.7 |
0.387 |
0 |
0 |
0 |
0.000 |
16 |
36 |
|
B |
14 |
4 |
8547 |
◊ |
[MAN]A:186 |
x,y,z-1 |
1_554 |
5 |
1 |
292 |
83.3 |
0.7 |
0.408 |
0 |
0 |
0 |
0.000 |
17 |
37 |
|
A |
9 |
2 |
8645 |
◊ |
[MAN]B:185 |
x-1,y,z+1 |
1_456 |
6 |
1 |
292 |
77.9 |
1.1 |
0.420 |
0 |
0 |
0 |
0.000 |
18 |
38 |
|
[MAN]A:186 |
6 |
1 |
292 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
8651 |
74.7 |
2.0 |
0.494 |
0 |
0 |
0 |
0.000 |
39 |
|
[MAN]B:186 |
6 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
8682 |
72.7 |
2.1 |
0.501 |
0 |
0 |
0 |
0.000 |
Average: |
73.7 |
2.1 |
0.498 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
[MAN]C:186 |
5 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
8547 |
74.2 |
2.1 |
0.589 |
0 |
0 |
0 |
0.000 |
20 |
41 |
|
[MAN]D:186 |
7 |
1 |
294 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
8651 |
72.4 |
0.2 |
0.205 |
0 |
0 |
0 |
0.000 |
21 |
42 |
|
[MAN]D:186 |
6 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
8645 |
70.4 |
2.0 |
0.492 |
0 |
0 |
0 |
0.000 |
22 |
43 |
|
[NAG]B:182 |
10 |
1 |
361 |
cf |
[NAG]B:181 |
x,y,z |
1_555 |
6 |
1 |
358 |
65.2 |
1.3 |
0.082 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]D:182 |
10 |
1 |
360 |
cf |
[NAG]D:181 |
x,y,z |
1_555 |
6 |
1 |
362 |
64.8 |
1.1 |
0.076 |
0 |
0 |
0 |
0.000 |
45 |
|
[NAG]C:182 |
10 |
1 |
360 |
cf |
[NAG]C:181 |
x,y,z |
1_555 |
6 |
1 |
358 |
64.6 |
1.1 |
0.070 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]A:182 |
10 |
1 |
361 |
cf |
[NAG]A:181 |
x,y,z |
1_555 |
6 |
1 |
361 |
63.8 |
1.2 |
0.068 |
0 |
0 |
0 |
0.000 |
Average: |
64.6 |
1.2 |
0.074 |
0 |
0 |
0 |
0.000 |
23 |
47 |
|
[MAN]D:186 |
7 |
1 |
294 |
cf |
[MAN]D:184 |
x,y,z |
1_555 |
6 |
1 |
291 |
63.0 |
1.8 |
0.162 |
1 |
0 |
0 |
0.000 |
24 |
48 |
|
[BMA]A:183 |
7 |
1 |
290 |
cf |
[NAG]A:182 |
x,y,z |
1_555 |
6 |
1 |
361 |
61.3 |
1.0 |
0.092 |
0 |
0 |
0 |
0.000 |
49 |
|
[BMA]D:183 |
7 |
1 |
291 |
cf |
[NAG]D:182 |
x,y,z |
1_555 |
6 |
1 |
360 |
61.2 |
1.1 |
0.106 |
0 |
0 |
0 |
0.000 |
50 |
|
[BMA]B:183 |
6 |
1 |
290 |
cf |
[NAG]B:182 |
x,y,z |
1_555 |
6 |
1 |
361 |
61.1 |
1.1 |
0.125 |
0 |
0 |
0 |
0.000 |
51 |
|
[BMA]C:183 |
6 |
1 |
288 |
cf |
[NAG]C:182 |
x,y,z |
1_555 |
5 |
1 |
360 |
61.0 |
1.1 |
0.130 |
0 |
0 |
0 |
0.000 |
Average: |
61.1 |
1.1 |
0.113 |
0 |
0 |
0 |
0.000 |
25 |
52 |
|
[MAN]C:186 |
8 |
1 |
295 |
cf |
[MAN]C:184 |
x,y,z |
1_555 |
6 |
1 |
291 |
59.1 |
2.2 |
0.161 |
0 |
0 |
0 |
0.000 |
26 |
53 |
|
[MAN]C:184 |
7 |
1 |
291 |
cf |
[BMA]C:183 |
x,y,z |
1_555 |
4 |
1 |
288 |
58.6 |
1.9 |
0.253 |
0 |
0 |
0 |
0.000 |
54 |
|
[MAN]A:184 |
5 |
1 |
289 |
cf |
[BMA]A:183 |
x,y,z |
1_555 |
5 |
1 |
290 |
58.2 |
2.0 |
0.221 |
0 |
0 |
0 |
0.000 |
55 |
|
[MAN]D:184 |
5 |
1 |
291 |
cf |
[BMA]D:183 |
x,y,z |
1_555 |
4 |
1 |
291 |
57.3 |
2.0 |
0.297 |
0 |
0 |
0 |
0.000 |
Average: |
58.0 |
2.0 |
0.257 |
0 |
0 |
0 |
0.000 |
27 |
56 |
|
[MAN]A:186 |
8 |
1 |
292 |
cf |
[MAN]A:184 |
x,y,z |
1_555 |
5 |
1 |
289 |
57.8 |
2.1 |
0.184 |
0 |
0 |
0 |
0.000 |
57 |
|
[MAN]B:186 |
6 |
1 |
293 |
cf |
[MAN]B:184 |
x,y,z |
1_555 |
4 |
1 |
290 |
53.5 |
1.9 |
0.257 |
0 |
0 |
0 |
0.000 |
Average: |
55.7 |
2.0 |
0.220 |
0 |
0 |
0 |
0.000 |
28 |
58 |
|
[MAN]B:184 |
6 |
1 |
290 |
cf |
[BMA]B:183 |
x,y,z |
1_555 |
5 |
1 |
290 |
56.1 |
2.0 |
0.249 |
0 |
0 |
0 |
0.000 |
29 |
59 |
|
[MAN]A:185 |
6 |
1 |
292 |
cf |
[MAN]A:184 |
x,y,z |
1_555 |
6 |
1 |
289 |
54.9 |
2.3 |
0.221 |
0 |
0 |
0 |
0.000 |
60 |
|
[MAN]C:185 |
5 |
1 |
293 |
cf |
[MAN]C:184 |
x,y,z |
1_555 |
6 |
1 |
291 |
54.3 |
2.3 |
0.290 |
0 |
0 |
0 |
0.000 |
61 |
|
[MAN]B:185 |
6 |
1 |
292 |
cf |
[MAN]B:184 |
x,y,z |
1_555 |
6 |
1 |
290 |
53.8 |
2.2 |
0.249 |
0 |
0 |
0 |
0.000 |
62 |
|
[MAN]D:185 |
6 |
1 |
289 |
cf |
[MAN]D:184 |
x,y,z |
1_555 |
5 |
1 |
291 |
53.1 |
2.3 |
0.277 |
0 |
0 |
0 |
0.000 |
Average: |
54.0 |
2.3 |
0.259 |
0 |
0 |
0 |
0.000 |
30 |
63 |
|
A |
8 |
3 |
8645 |
◊ |
[MAN]B:186 |
x-1,y,z+1 |
1_456 |
5 |
1 |
293 |
52.1 |
0.0 |
0.224 |
1 |
0 |
0 |
0.000 |
31 |
64 |
|
[ZN]D:180 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
8651 |
50.3 |
-38.1 |
0.000 |
0 |
0 |
0 |
1.000 |
65 |
|
[ZN]C:180 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
8682 |
50.0 |
-38.2 |
0.000 |
0 |
0 |
0 |
1.000 |
66 |
|
[ZN]B:180 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
8547 |
49.7 |
-39.2 |
0.000 |
0 |
0 |
0 |
1.000 |
67 |
|
[ZN]A:180 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
8645 |
49.5 |
-38.4 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
49.9 |
-38.5 |
0.000 |
0 |
0 |
0 |
1.000 |
32 |
68 |
|
C |
3 |
2 |
8682 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
1 |
8651 |
42.0 |
-0.6 |
0.367 |
0 |
0 |
0 |
0.000 |
33 |
69 |
|
C |
5 |
3 |
8682 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
8651 |
34.5 |
-0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
34 |
70 |
|
A |
4 |
1 |
8645 |
◊ |
[MAN]B:184 |
x-1,y,z+1 |
1_456 |
4 |
1 |
290 |
31.6 |
0.3 |
0.287 |
0 |
0 |
0 |
0.000 |
35 |
71 |
|
C |
6 |
3 |
8682 |
◊ |
[MAN]A:186 |
x,y,z-1 |
1_554 |
4 |
1 |
292 |
22.9 |
0.6 |
0.328 |
0 |
0 |
0 |
0.000 |
36 |
72 |
|
B |
3 |
1 |
8547 |
◊ |
[MAN]A:185 |
x,y,z-1 |
1_554 |
3 |
1 |
292 |
22.1 |
0.9 |
0.505 |
0 |
0 |
0 |
0.000 |
37 |
73 |
|
[NAG]B:181 |
6 |
1 |
358 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
8651 |
18.6 |
0.4 |
0.273 |
0 |
0 |
0 |
0.000 |
38 |
74 |
|
[MAN]B:185 |
4 |
1 |
292 |
f |
[BMA]B:183 |
x,y,z |
1_555 |
2 |
1 |
290 |
14.2 |
0.2 |
0.193 |
0 |
0 |
0 |
0.000 |
75 |
|
[MAN]D:185 |
5 |
1 |
289 |
f |
[BMA]D:183 |
x,y,z |
1_555 |
1 |
1 |
291 |
4.7 |
0.1 |
0.110 |
0 |
0 |
0 |
0.000 |
Average: |
9.5 |
0.2 |
0.151 |
0 |
0 |
0 |
0.000 |
39 |
76 |
|
[NAG]B:182 |
1 |
1 |
361 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
8651 |
13.4 |
0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
40 |
77 |
|
[MAN]A:185 |
4 |
1 |
292 |
f |
[BMA]A:183 |
x,y,z |
1_555 |
2 |
1 |
290 |
13.3 |
0.2 |
0.167 |
0 |
0 |
0 |
0.000 |
78 |
|
[MAN]C:185 |
4 |
1 |
293 |
f |
[BMA]C:183 |
x,y,z |
1_555 |
2 |
1 |
288 |
9.4 |
0.2 |
0.173 |
0 |
0 |
0 |
0.000 |
Average: |
11.4 |
0.2 |
0.170 |
0 |
0 |
0 |
0.000 |
41 |
79 |
|
B |
1 |
1 |
8547 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
8651 |
10.1 |
0.2 |
0.847 |
0 |
0 |
0 |
0.000 |
42 |
80 |
|
[NAG]C:181 |
1 |
1 |
358 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
8645 |
9.3 |
0.3 |
0.471 |
0 |
0 |
0 |
0.000 |
43 |
81 |
|
A |
2 |
1 |
8645 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
8651 |
8.4 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
44 |
82 |
|
[MAN]A:185 |
1 |
1 |
292 |
f |
[NAG]A:182 |
x,y,z |
1_555 |
2 |
1 |
361 |
7.0 |
0.2 |
0.193 |
0 |
0 |
0 |
0.000 |
83 |
|
[MAN]C:185 |
1 |
1 |
293 |
f |
[NAG]C:182 |
x,y,z |
1_555 |
2 |
1 |
360 |
5.8 |
0.2 |
0.193 |
0 |
0 |
0 |
0.000 |
84 |
|
[MAN]B:185 |
1 |
1 |
292 |
f |
[NAG]B:182 |
x,y,z |
1_555 |
2 |
1 |
361 |
4.7 |
0.1 |
0.193 |
0 |
0 |
0 |
0.000 |
Average: |
5.8 |
0.2 |
0.193 |
0 |
0 |
0 |
0.000 |
45 |
85 |
|
[MAN]A:184 |
1 |
1 |
289 |
f |
[NAG]A:182 |
x,y,z |
1_555 |
1 |
1 |
361 |
5.5 |
0.2 |
0.161 |
0 |
0 |
0 |
0.000 |
86 |
|
[MAN]C:184 |
1 |
1 |
291 |
f |
[NAG]C:182 |
x,y,z |
1_555 |
1 |
1 |
360 |
5.5 |
0.2 |
0.161 |
0 |
0 |
0 |
0.000 |
87 |
|
[MAN]D:184 |
1 |
1 |
291 |
f |
[NAG]D:182 |
x,y,z |
1_555 |
1 |
1 |
360 |
4.3 |
0.2 |
0.161 |
0 |
0 |
0 |
0.000 |
88 |
|
[MAN]B:184 |
1 |
1 |
290 |
f |
[NAG]B:182 |
x,y,z |
1_555 |
1 |
1 |
361 |
4.2 |
0.2 |
0.161 |
0 |
0 |
0 |
0.000 |
Average: |
4.9 |
0.2 |
0.161 |
0 |
0 |
0 |
0.000 |
46 |
89 |
|
B |
3 |
2 |
8547 |
◊ |
[MAN]A:184 |
x,y,z-1 |
1_554 |
2 |
1 |
289 |
5.3 |
0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
47 |
90 |
|
[MAN]D:186 |
1 |
1 |
294 |
f |
[MAN]D:185 |
x,y,z |
1_555 |
1 |
1 |
289 |
1.3 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
48 |
91 |
|
C |
1 |
1 |
8682 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
8682 |
0.9 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
|