| ## |
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 |
229 |
66 |
17441 |
◊ |
A |
x,y,z |
1_555 |
252 |
63 |
18274 |
2316.2 |
-25.6 |
0.083 |
40 |
10 |
0 |
0.260 |
2 |
|
D |
244 |
60 |
17265 |
◊ |
A |
x,y,z |
1_555 |
226 |
65 |
18274 |
2294.3 |
-25.6 |
0.071 |
37 |
12 |
0 |
0.260 |
3 |
|
C |
229 |
64 |
17315 |
◊ |
B |
x,y,z |
1_555 |
249 |
62 |
17441 |
2281.1 |
-26.9 |
0.065 |
39 |
9 |
0 |
0.260 |
4 |
|
F |
250 |
60 |
17364 |
◊ |
E |
x,y,z |
1_555 |
229 |
66 |
17388 |
2278.2 |
-28.0 |
0.051 |
36 |
7 |
0 |
0.260 |
5 |
|
H |
226 |
64 |
17253 |
◊ |
E |
x,y,z |
1_555 |
245 |
58 |
17388 |
2274.3 |
-26.3 |
0.062 |
37 |
9 |
0 |
0.260 |
6 |
|
H |
245 |
60 |
17253 |
◊ |
G |
x,y,z |
1_555 |
230 |
66 |
17129 |
2274.0 |
-25.7 |
0.069 |
36 |
7 |
0 |
0.260 |
7 |
|
G |
247 |
61 |
17129 |
◊ |
F |
x,y,z |
1_555 |
226 |
65 |
17364 |
2264.5 |
-26.1 |
0.074 |
34 |
7 |
0 |
0.260 |
8 |
|
D |
225 |
66 |
17265 |
◊ |
C |
x,y,z |
1_555 |
243 |
61 |
17315 |
2255.5 |
-26.2 |
0.063 |
37 |
9 |
0 |
0.260 |
| Average: |
2279.8 |
-26.3 |
0.067 |
37 |
9 |
0 |
0.260 |
| 2 |
9 |
|
E |
51 |
17 |
17388 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
41 |
13 |
17129 |
403.8 |
2.7 |
0.845 |
7 |
4 |
0 |
0.000 |
| 3 |
10 |
|
B |
47 |
13 |
17441 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
48 |
18 |
17364 |
385.3 |
1.0 |
0.785 |
5 |
0 |
0 |
0.000 |
| 4 |
11 |
|
[8L1]H:503 |
32 |
1 |
700 |
◊ |
H |
x,y,z |
1_555 |
45 |
17 |
17253 |
334.1 |
-2.6 |
0.282 |
5 |
0 |
0 |
0.015 |
12 |
|
[8L1]D:504 |
32 |
1 |
699 |
◊ |
D |
x,y,z |
1_555 |
44 |
16 |
17265 |
328.3 |
-3.0 |
0.265 |
5 |
0 |
0 |
0.015 |
13 |
|
[8L1]C:501 |
32 |
1 |
703 |
◊ |
C |
x,y,z |
1_555 |
42 |
15 |
17315 |
326.4 |
-2.7 |
0.272 |
5 |
0 |
0 |
0.015 |
14 |
|
[8L1]G:503 |
31 |
1 |
702 |
◊ |
G |
x,y,z |
1_555 |
44 |
16 |
17129 |
324.0 |
-3.0 |
0.286 |
5 |
0 |
0 |
0.015 |
| Average: |
328.2 |
-2.8 |
0.276 |
5 |
0 |
0 |
0.015 |
| 5 |
15 |
|
C |
41 |
15 |
17315 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
9 |
18274 |
329.5 |
-1.7 |
0.482 |
3 |
0 |
0 |
0.000 |
| 6 |
16 |
|
[8L1]E:502 |
30 |
1 |
703 |
◊ |
E |
x,y,z |
1_555 |
45 |
16 |
17388 |
327.1 |
-3.4 |
0.287 |
4 |
0 |
0 |
0.015 |
17 |
|
[8L1]F:503 |
32 |
1 |
702 |
◊ |
F |
x,y,z |
1_555 |
40 |
15 |
17364 |
325.5 |
-2.5 |
0.397 |
4 |
0 |
0 |
0.015 |
18 |
|
[8L1]D:501 |
30 |
1 |
704 |
◊ |
A |
x,y,z |
1_555 |
40 |
14 |
18274 |
313.9 |
-3.6 |
0.290 |
3 |
0 |
0 |
0.015 |
19 |
|
[8L1]B:501 |
31 |
1 |
703 |
◊ |
B |
x,y,z |
1_555 |
41 |
16 |
17441 |
313.3 |
-3.7 |
0.268 |
4 |
0 |
0 |
0.015 |
| Average: |
320.0 |
-3.3 |
0.310 |
4 |
0 |
0 |
0.015 |
| 7 |
20 |
|
[IMP]F:502 |
22 |
1 |
495 |
f |
F |
x,y,z |
1_555 |
48 |
25 |
17364 |
312.4 |
-6.2 |
0.406 |
11 |
0 |
0 |
0.063 |
21 |
|
[IMP]C:500 |
22 |
1 |
497 |
f |
C |
x,y,z |
1_555 |
47 |
24 |
17315 |
311.1 |
-5.8 |
0.414 |
11 |
0 |
0 |
0.063 |
22 |
|
[IMP]B:500 |
22 |
1 |
496 |
f |
B |
x,y,z |
1_555 |
49 |
25 |
17441 |
310.0 |
-6.0 |
0.403 |
10 |
0 |
0 |
0.063 |
23 |
|
[IMP]E:501 |
22 |
1 |
493 |
f |
E |
x,y,z |
1_555 |
49 |
24 |
17388 |
309.0 |
-5.9 |
0.408 |
11 |
0 |
0 |
0.063 |
24 |
|
[IMP]G:502 |
22 |
1 |
495 |
f |
G |
x,y,z |
1_555 |
48 |
24 |
17129 |
309.0 |
-5.9 |
0.391 |
10 |
0 |
0 |
0.063 |
25 |
|
[IMP]A:501 |
22 |
1 |
494 |
f |
A |
x,y,z |
1_555 |
48 |
25 |
18274 |
308.5 |
-5.9 |
0.415 |
10 |
0 |
0 |
0.063 |
26 |
|
[IMP]D:503 |
22 |
1 |
496 |
f |
D |
x,y,z |
1_555 |
50 |
23 |
17265 |
307.6 |
-5.7 |
0.409 |
10 |
0 |
0 |
0.063 |
27 |
|
[IMP]H:502 |
22 |
1 |
498 |
f |
H |
x,y,z |
1_555 |
48 |
25 |
17253 |
307.2 |
-5.9 |
0.397 |
9 |
0 |
0 |
0.063 |
| Average: |
309.3 |
-5.9 |
0.405 |
10 |
0 |
0 |
0.063 |
| 8 |
28 |
|
H |
26 |
5 |
17253 |
◊ |
D |
x,y,z |
1_555 |
30 |
9 |
17265 |
261.2 |
0.8 |
0.736 |
1 |
0 |
0 |
0.000 |
29 |
|
E |
31 |
9 |
17388 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
18274 |
246.2 |
-0.7 |
0.589 |
1 |
0 |
0 |
0.000 |
| Average: |
253.7 |
0.0 |
0.663 |
1 |
0 |
0 |
0.000 |
| 9 |
30 |
|
H |
30 |
9 |
17253 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
18274 |
243.7 |
-1.5 |
0.462 |
1 |
0 |
0 |
0.000 |
| 10 |
31 |
|
[8L1]D:501 |
17 |
1 |
704 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
17265 |
169.9 |
-5.5 |
0.258 |
1 |
0 |
0 |
0.018 |
32 |
|
[8L1]B:501 |
18 |
1 |
703 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
18274 |
162.3 |
-5.5 |
0.261 |
1 |
0 |
0 |
0.018 |
33 |
|
[8L1]F:503 |
18 |
1 |
702 |
f |
G |
x,y,z |
1_555 |
22 |
7 |
17129 |
162.1 |
-5.6 |
0.250 |
1 |
0 |
0 |
0.018 |
34 |
|
[8L1]E:502 |
19 |
1 |
703 |
f |
F |
x,y,z |
1_555 |
23 |
7 |
17364 |
162.1 |
-5.4 |
0.266 |
1 |
0 |
0 |
0.018 |
| Average: |
164.1 |
-5.5 |
0.259 |
1 |
0 |
0 |
0.018 |
| 11 |
35 |
|
[8L1]G:503 |
20 |
1 |
702 |
f |
H |
x,y,z |
1_555 |
23 |
7 |
17253 |
161.1 |
-5.7 |
0.259 |
1 |
0 |
0 |
0.019 |
36 |
|
[8L1]C:501 |
16 |
1 |
703 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
17441 |
157.2 |
-6.0 |
0.238 |
1 |
0 |
0 |
0.019 |
37 |
|
[8L1]D:504 |
19 |
1 |
699 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
17315 |
154.8 |
-5.7 |
0.246 |
1 |
0 |
0 |
0.019 |
38 |
|
[8L1]H:503 |
15 |
1 |
700 |
f |
E |
x,y,z |
1_555 |
22 |
7 |
17388 |
154.7 |
-5.9 |
0.237 |
1 |
0 |
0 |
0.019 |
| Average: |
157.0 |
-5.8 |
0.245 |
1 |
0 |
0 |
0.019 |
| 12 |
39 |
|
G |
12 |
3 |
17129 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
17265 |
137.5 |
0.4 |
0.696 |
2 |
0 |
0 |
0.000 |
40 |
|
E |
16 |
4 |
17388 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
17441 |
130.1 |
0.5 |
0.715 |
2 |
0 |
0 |
0.000 |
| Average: |
133.8 |
0.5 |
0.706 |
2 |
0 |
0 |
0.000 |
| 13 |
41 |
|
[IPA]G:504 |
4 |
1 |
197 |
f |
G |
x,y,z |
1_555 |
16 |
8 |
17129 |
120.6 |
5.0 |
0.543 |
1 |
0 |
0 |
0.000 |
| 14 |
42 |
|
E |
11 |
2 |
17388 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
3 |
17253 |
119.0 |
-1.9 |
0.301 |
0 |
0 |
0 |
0.000 |
| 15 |
43 |
|
[EDO]E:503 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
17388 |
114.4 |
3.9 |
0.528 |
2 |
0 |
0 |
0.000 |
| 16 |
44 |
|
[EDO]D:505 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
17265 |
113.5 |
3.9 |
0.517 |
2 |
0 |
0 |
0.000 |
| 17 |
45 |
|
[EDO]F:504 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
17 |
9 |
17364 |
112.1 |
4.0 |
0.543 |
2 |
0 |
0 |
0.000 |
| 18 |
46 |
|
D |
9 |
4 |
17265 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
14 |
7 |
17129 |
110.5 |
1.3 |
0.810 |
3 |
4 |
0 |
0.000 |
| 19 |
47 |
|
[EDO]E:504 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
16 |
6 |
17388 |
109.9 |
3.5 |
0.477 |
5 |
0 |
0 |
0.000 |
| 20 |
48 |
|
[EDO]F:505 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
17 |
6 |
17364 |
108.3 |
3.8 |
0.682 |
4 |
0 |
0 |
0.000 |
| 21 |
49 |
|
[K]E:505 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
17253 |
87.6 |
-60.7 |
0.000 |
0 |
0 |
0 |
0.361 |
50 |
|
[K]F:501 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
17388 |
87.5 |
-60.4 |
0.000 |
0 |
0 |
0 |
0.361 |
51 |
|
[K]B:502 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
17315 |
87.5 |
-60.3 |
0.000 |
0 |
0 |
0 |
0.361 |
52 |
|
[K]H:501 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
17 |
8 |
17129 |
87.3 |
-60.4 |
0.000 |
0 |
0 |
0 |
0.361 |
53 |
|
[K]D:502 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
18274 |
87.3 |
-60.5 |
0.000 |
0 |
0 |
0 |
0.361 |
54 |
|
[K]A:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
17441 |
87.0 |
-60.1 |
0.000 |
0 |
0 |
0 |
0.361 |
55 |
|
[K]C:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
17265 |
86.7 |
-60.0 |
0.000 |
0 |
0 |
0 |
0.361 |
56 |
|
[K]G:501 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
17364 |
86.6 |
-59.8 |
0.000 |
0 |
0 |
0 |
0.361 |
| Average: |
87.2 |
-60.3 |
0.000 |
0 |
0 |
0 |
0.361 |
| 22 |
57 |
|
[K]C:502 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
17315 |
75.0 |
-47.0 |
0.000 |
0 |
0 |
0 |
0.278 |
58 |
|
[K]G:501 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
12 |
5 |
17129 |
74.9 |
-46.9 |
0.000 |
0 |
0 |
0 |
0.278 |
59 |
|
[K]H:501 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
17253 |
74.7 |
-46.4 |
0.000 |
0 |
0 |
0 |
0.278 |
60 |
|
[K]D:502 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
17265 |
74.5 |
-46.3 |
0.000 |
0 |
0 |
0 |
0.278 |
61 |
|
[K]A:502 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
18274 |
74.5 |
-47.0 |
0.000 |
0 |
0 |
0 |
0.278 |
62 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
17441 |
74.4 |
-46.6 |
0.000 |
0 |
0 |
0 |
0.278 |
63 |
|
[K]F:501 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
17364 |
74.2 |
-46.6 |
0.000 |
0 |
0 |
0 |
0.278 |
64 |
|
[K]E:505 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
17388 |
73.7 |
-46.3 |
0.000 |
0 |
0 |
0 |
0.278 |
| Average: |
74.5 |
-46.6 |
0.000 |
0 |
0 |
0 |
0.278 |
| 23 |
65 |
|
A |
11 |
5 |
18274 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
17265 |
74.6 |
-0.4 |
0.455 |
0 |
0 |
0 |
0.000 |
| 24 |
66 |
|
[8L1]D:504 |
8 |
1 |
699 |
◊ |
[IMP]D:503 |
x,y,z |
1_555 |
13 |
1 |
496 |
59.8 |
2.9 |
0.719 |
0 |
0 |
0 |
0.000 |
67 |
|
[8L1]H:503 |
7 |
1 |
700 |
◊ |
[IMP]H:502 |
x,y,z |
1_555 |
12 |
1 |
498 |
59.5 |
3.0 |
0.735 |
0 |
0 |
0 |
0.000 |
68 |
|
[8L1]C:501 |
8 |
1 |
703 |
◊ |
[IMP]C:500 |
x,y,z |
1_555 |
12 |
1 |
497 |
57.9 |
2.8 |
0.708 |
0 |
0 |
0 |
0.000 |
| Average: |
59.1 |
2.9 |
0.721 |
0 |
0 |
0 |
0.000 |
| 25 |
69 |
|
[8L1]G:503 |
8 |
1 |
702 |
◊ |
[IMP]G:502 |
x,y,z |
1_555 |
13 |
1 |
495 |
59.0 |
2.8 |
0.714 |
0 |
0 |
0 |
0.000 |
70 |
|
[8L1]F:503 |
8 |
1 |
702 |
◊ |
[IMP]F:502 |
x,y,z |
1_555 |
11 |
1 |
495 |
58.6 |
2.8 |
0.721 |
0 |
0 |
0 |
0.000 |
71 |
|
[8L1]B:501 |
7 |
1 |
703 |
◊ |
[IMP]B:500 |
x,y,z |
1_555 |
11 |
1 |
496 |
58.4 |
2.8 |
0.727 |
0 |
0 |
0 |
0.000 |
72 |
|
[8L1]E:502 |
8 |
1 |
703 |
◊ |
[IMP]E:501 |
x,y,z |
1_555 |
12 |
1 |
493 |
57.3 |
2.7 |
0.717 |
0 |
0 |
0 |
0.000 |
73 |
|
[8L1]D:501 |
7 |
1 |
704 |
◊ |
[IMP]A:501 |
x,y,z |
1_555 |
11 |
1 |
494 |
55.8 |
2.8 |
0.722 |
0 |
0 |
0 |
0.000 |
| Average: |
57.8 |
2.8 |
0.720 |
0 |
0 |
0 |
0.000 |
| 26 |
74 |
|
F |
7 |
3 |
17364 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
17315 |
55.4 |
-0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
| 27 |
75 |
|
C |
9 |
6 |
17315 |
◊ |
H |
x-1,y,z |
1_455 |
7 |
5 |
17253 |
55.2 |
1.8 |
0.884 |
0 |
0 |
0 |
0.000 |
| 28 |
76 |
|
B |
10 |
8 |
17441 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
4 |
17315 |
48.2 |
0.2 |
0.642 |
0 |
0 |
0 |
0.000 |
| 29 |
77 |
|
A |
2 |
1 |
18274 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
17129 |
39.1 |
0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
| 30 |
78 |
|
B |
3 |
2 |
17441 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
1 |
17265 |
31.5 |
0.8 |
0.834 |
1 |
1 |
0 |
0.000 |
| 31 |
79 |
|
E |
5 |
3 |
17388 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
17364 |
23.5 |
-0.2 |
0.566 |
0 |
0 |
0 |
0.000 |
| 32 |
80 |
|
[IMP]H:502 |
2 |
1 |
498 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
17388 |
12.9 |
-0.9 |
0.381 |
0 |
0 |
0 |
0.005 |
81 |
|
[IMP]B:500 |
2 |
1 |
496 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
18274 |
12.6 |
-0.8 |
0.410 |
0 |
0 |
0 |
0.005 |
82 |
|
[IMP]A:501 |
2 |
1 |
494 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17265 |
12.1 |
-0.8 |
0.417 |
0 |
0 |
0 |
0.005 |
83 |
|
[IMP]E:501 |
2 |
1 |
493 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
17364 |
12.1 |
-0.8 |
0.386 |
0 |
0 |
0 |
0.005 |
84 |
|
[IMP]D:503 |
2 |
1 |
496 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
17315 |
11.6 |
-0.8 |
0.407 |
0 |
0 |
0 |
0.005 |
85 |
|
[IMP]F:502 |
2 |
1 |
495 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
17129 |
11.4 |
-0.8 |
0.404 |
0 |
0 |
0 |
0.005 |
86 |
|
[IMP]G:502 |
2 |
1 |
495 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
17253 |
11.1 |
-0.8 |
0.386 |
0 |
0 |
0 |
0.005 |
87 |
|
[IMP]C:500 |
2 |
1 |
497 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17441 |
10.3 |
-0.7 |
0.389 |
0 |
0 |
0 |
0.005 |
| Average: |
11.8 |
-0.8 |
0.397 |
0 |
0 |
0 |
0.005 |
| 33 |
88 |
|
E |
2 |
1 |
17388 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17265 |
9.0 |
0.4 |
0.808 |
0 |
0 |
0 |
0.000 |
| 34 |
89 |
|
[EDO]E:504 |
1 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
17253 |
8.7 |
-0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
| 35 |
90 |
|
[EDO]F:505 |
2 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
17388 |
6.0 |
0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
| 36 |
91 |
|
B |
2 |
1 |
17441 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
18274 |
4.2 |
0.2 |
0.784 |
0 |
0 |
0 |
0.000 |
| 37 |
92 |
|
[K]G:501 |
1 |
1 |
216 |
f |
[IMP]F:502 |
x,y,z |
1_555 |
1 |
1 |
495 |
2.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
93 |
|
[K]D:502 |
1 |
1 |
216 |
f |
[IMP]A:501 |
x,y,z |
1_555 |
1 |
1 |
494 |
2.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
94 |
|
[K]H:501 |
1 |
1 |
216 |
f |
[IMP]G:502 |
x,y,z |
1_555 |
1 |
1 |
495 |
2.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
95 |
|
[K]B:502 |
1 |
1 |
216 |
f |
[IMP]C:500 |
x,y,z |
1_555 |
1 |
1 |
497 |
2.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
96 |
|
[K]E:505 |
1 |
1 |
216 |
f |
[IMP]H:502 |
x,y,z |
1_555 |
1 |
1 |
498 |
2.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
97 |
|
[K]A:502 |
1 |
1 |
216 |
f |
[IMP]B:500 |
x,y,z |
1_555 |
1 |
1 |
496 |
1.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
98 |
|
[K]F:501 |
1 |
1 |
216 |
f |
[IMP]E:501 |
x,y,z |
1_555 |
1 |
1 |
493 |
1.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
99 |
|
[K]C:502 |
1 |
1 |
216 |
f |
[IMP]D:503 |
x,y,z |
1_555 |
1 |
1 |
496 |
1.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
2.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
| 38 |
100 |
|
F |
1 |
1 |
17364 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
17253 |
0.5 |
0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
|