| ## |
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 |
|
C |
176 |
44 |
17611 |
◊ |
B |
x,y,z |
1_555 |
178 |
45 |
17984 |
1786.6 |
-38.5 |
0.055 |
7 |
1 |
0 |
0.268 |
2 |
|
D |
171 |
44 |
17876 |
◊ |
A |
x,y,z |
1_555 |
170 |
43 |
17772 |
1729.6 |
-38.3 |
0.024 |
9 |
3 |
0 |
0.268 |
| Average: |
1758.1 |
-38.4 |
0.039 |
8 |
2 |
0 |
0.268 |
| 2 |
3 |
|
[58A]B:309 |
59 |
1 |
1369 |
f |
B |
x,y,z |
1_555 |
102 |
37 |
17984 |
790.2 |
-12.7 |
0.707 |
4 |
0 |
0 |
0.208 |
4 |
|
[58A]D:315 |
58 |
1 |
1364 |
cf |
D |
x,y,z |
1_555 |
102 |
37 |
17876 |
776.6 |
-12.3 |
0.746 |
4 |
0 |
0 |
0.208 |
5 |
|
[58A]A:311 |
60 |
1 |
1354 |
cf |
A |
x,y,z |
1_555 |
95 |
34 |
17772 |
737.6 |
-11.2 |
0.727 |
4 |
0 |
0 |
0.208 |
6 |
|
[58A]C:310 |
57 |
1 |
1365 |
cf |
C |
x,y,z |
1_555 |
96 |
34 |
17611 |
726.7 |
-10.7 |
0.798 |
4 |
0 |
0 |
0.208 |
| Average: |
757.8 |
-11.7 |
0.745 |
4 |
0 |
0 |
0.208 |
| 3 |
7 |
|
B |
70 |
24 |
17984 |
◊ |
A |
x-1,y,z |
1_455 |
64 |
20 |
17772 |
632.9 |
-0.5 |
0.974 |
10 |
3 |
0 |
0.000 |
| 4 |
8 |
|
B |
51 |
13 |
17984 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
17772 |
451.4 |
-9.4 |
0.315 |
2 |
0 |
0 |
0.078 |
| 5 |
9 |
|
D |
48 |
18 |
17876 |
◊ |
C |
x,y,z-1 |
1_554 |
52 |
17 |
17611 |
438.9 |
-0.4 |
0.960 |
4 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
44 |
16 |
17984 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
34 |
15 |
17611 |
293.4 |
2.2 |
0.987 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
24 |
7 |
17876 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
30 |
8 |
17772 |
242.9 |
-4.5 |
0.406 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
D |
27 |
9 |
17876 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
29 |
10 |
17772 |
220.8 |
-2.2 |
0.734 |
3 |
0 |
0 |
0.000 |
| 9 |
13 |
|
B |
17 |
6 |
17984 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
9 |
17611 |
188.8 |
-2.2 |
0.619 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
C |
27 |
10 |
17611 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
27 |
8 |
17984 |
182.1 |
-1.9 |
0.711 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
D |
19 |
4 |
17876 |
x |
D |
-x-1,y-1/2,-z-1 |
2_444 |
18 |
8 |
17876 |
175.0 |
-5.4 |
0.105 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[8K6]B:301 |
7 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
17984 |
168.3 |
-4.9 |
0.741 |
0 |
0 |
0 |
0.037 |
| 13 |
17 |
|
[8K6]D:306 |
7 |
1 |
287 |
f |
D |
x,y,z |
1_555 |
26 |
11 |
17876 |
168.1 |
-4.6 |
0.784 |
0 |
0 |
0 |
0.025 |
| 14 |
18 |
|
[8K6]A:305 |
7 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
17772 |
167.0 |
-5.0 |
0.694 |
0 |
0 |
0 |
0.037 |
| 15 |
19 |
|
[8K6]C:307 |
7 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
17611 |
163.2 |
-4.8 |
0.674 |
0 |
0 |
0 |
0.031 |
| 16 |
20 |
|
[8K6]A:303 |
7 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17772 |
130.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.032 |
| 17 |
21 |
|
C |
16 |
6 |
17611 |
x |
C |
-x,y-1/2,-z |
2_545 |
13 |
7 |
17611 |
129.8 |
-3.6 |
0.230 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[8K6]D:308 |
7 |
1 |
291 |
f |
D |
x,y,z |
1_555 |
21 |
6 |
17876 |
129.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 19 |
23 |
|
A |
12 |
4 |
17772 |
x |
A |
x-1,y,z |
1_455 |
13 |
4 |
17772 |
125.3 |
-2.1 |
0.431 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
11 |
5 |
17984 |
x |
B |
x-1,y,z |
1_455 |
8 |
3 |
17984 |
80.9 |
-1.0 |
0.460 |
0 |
0 |
0 |
0.000 |
| Average: |
103.1 |
-1.5 |
0.446 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
A |
16 |
7 |
17772 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
26 |
14 |
17876 |
124.5 |
2.3 |
0.970 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[8K6]A:307 |
7 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
17772 |
117.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.028 |
| 22 |
27 |
|
[8K6]D:302 |
7 |
1 |
292 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
17876 |
113.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 23 |
28 |
|
[8K6]B:306 |
7 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
17984 |
113.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.026 |
| 24 |
29 |
|
[8K6]B:306 |
7 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
20 |
4 |
17772 |
112.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| 25 |
30 |
|
[8K6]D:307 |
7 |
1 |
286 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
17876 |
112.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 26 |
31 |
|
[8K6]C:302 |
7 |
1 |
285 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
17611 |
112.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.022 |
| 27 |
32 |
|
[8K6]D:301 |
7 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
17876 |
106.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.016 |
| 28 |
33 |
|
[8K6]C:303 |
7 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
17611 |
105.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 29 |
34 |
|
C |
13 |
4 |
17611 |
f |
[8K6]C:305 |
-x,y-1/2,-z |
2_545 |
7 |
1 |
293 |
104.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 30 |
35 |
|
[8K6]B:302 |
7 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17984 |
103.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.045 |
36 |
|
[8K6]A:301 |
6 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17772 |
98.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
100.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 31 |
37 |
|
[8K6]C:304 |
7 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
17611 |
102.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 32 |
38 |
|
[8K6]A:306 |
7 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17772 |
101.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| 33 |
39 |
|
[8K6]A:303 |
7 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
17876 |
100.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| 34 |
40 |
|
D |
10 |
5 |
17876 |
f |
[8K6]D:311 |
-x-1,y-1/2,-z-1 |
2_444 |
7 |
1 |
291 |
99.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 35 |
41 |
|
[8K6]B:304 |
7 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17984 |
98.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| 36 |
42 |
|
[8K6]D:303 |
7 |
1 |
288 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
17876 |
97.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| 37 |
43 |
|
[8K6]D:312 |
7 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
17876 |
96.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.017 |
| 38 |
44 |
|
[8K6]D:309 |
6 |
1 |
292 |
f |
A |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
4 |
17772 |
92.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 39 |
45 |
|
[8K6]C:306 |
7 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
17611 |
92.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[8K6]D:311 |
6 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
17876 |
91.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[8K6]A:302 |
7 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
17772 |
90.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.020 |
| 42 |
48 |
|
C |
11 |
4 |
17611 |
f |
[8K6]C:306 |
-x,y-1/2,-z |
2_545 |
7 |
1 |
291 |
88.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.018 |
| 43 |
49 |
|
[8K6]B:303 |
7 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
17984 |
87.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 44 |
50 |
|
C |
6 |
3 |
17611 |
f |
[8K6]C:301 |
-x,y-1/2,-z |
2_545 |
7 |
1 |
287 |
82.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 45 |
51 |
|
[8K6]D:305 |
7 |
1 |
291 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
17876 |
77.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 46 |
52 |
|
[8K6]A:304 |
7 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
17772 |
76.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.019 |
| 47 |
53 |
|
[8K6]D:312 |
7 |
1 |
294 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
4 |
17772 |
75.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 48 |
54 |
|
[8K6]B:302 |
7 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
17611 |
65.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
55 |
|
[8K6]A:301 |
6 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
17876 |
57.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
61.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.014 |
| 49 |
56 |
|
[8K6]D:304 |
4 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
17876 |
64.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 50 |
57 |
|
D |
6 |
3 |
17876 |
◊ |
[8K6]D:307 |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
286 |
64.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
58 |
|
[8K6]C:305 |
4 |
1 |
293 |
◊ |
[8K6]C:304 |
x,y,z |
1_555 |
7 |
1 |
292 |
57.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
59 |
|
D |
6 |
2 |
17876 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
2 |
17772 |
56.9 |
-1.1 |
0.434 |
0 |
0 |
0 |
0.000 |
| 53 |
60 |
|
[8K6]D:309 |
7 |
1 |
292 |
◊ |
[8K6]D:302 |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
1 |
292 |
53.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 54 |
61 |
|
[8K6]C:302 |
4 |
1 |
285 |
◊ |
[8K6]C:301 |
x,y,z |
1_555 |
4 |
1 |
287 |
53.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
62 |
|
[8K6]C:304 |
7 |
1 |
292 |
f |
[8K6]C:303 |
x,y,z |
1_555 |
7 |
1 |
292 |
51.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 56 |
63 |
|
[8K6]C:301 |
7 |
1 |
287 |
◊ |
C |
x,y,z |
1_555 |
8 |
1 |
17611 |
50.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 57 |
64 |
|
[8K6]D:309 |
6 |
1 |
292 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17876 |
50.0 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 58 |
65 |
|
[8K6]A:308 |
5 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17772 |
49.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.012 |
| 59 |
66 |
|
A |
7 |
2 |
17772 |
◊ |
[8K6]D:304 |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
280 |
49.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
67 |
|
[8K6]A:302 |
7 |
1 |
292 |
f |
[8K6]A:301 |
x,y,z |
1_555 |
7 |
1 |
291 |
48.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 61 |
68 |
|
D |
4 |
2 |
17876 |
◊ |
[8K6]D:304 |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
280 |
46.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 62 |
69 |
|
[8K6]A:308 |
7 |
1 |
290 |
f |
[8K6]A:306 |
x,y,z |
1_555 |
6 |
1 |
290 |
46.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| 63 |
70 |
|
[8K6]C:303 |
5 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17984 |
46.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 64 |
71 |
|
[8K6]C:303 |
6 |
1 |
292 |
◊ |
[8K6]B:303 |
x,y,z |
1_555 |
5 |
1 |
290 |
45.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 65 |
72 |
|
[8K6]A:308 |
7 |
1 |
290 |
f |
[8K6]A:307 |
x,y,z |
1_555 |
6 |
1 |
291 |
45.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 66 |
73 |
|
[8K6]A:305 |
5 |
1 |
290 |
f |
[8K6]A:304 |
x,y,z |
1_555 |
6 |
1 |
291 |
44.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 67 |
74 |
|
[58A]B:309 |
5 |
1 |
1369 |
◊ |
[58A]A:311 |
x,y,z |
1_555 |
7 |
1 |
1354 |
43.5 |
-1.4 |
0.590 |
0 |
0 |
0 |
0.011 |
| 68 |
75 |
|
[8K6]B:305 |
3 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
17984 |
42.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 69 |
76 |
|
[58A]A:311 |
5 |
1 |
1354 |
f |
[MG]A:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
42.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.067 |
77 |
|
[58A]B:309 |
7 |
1 |
1369 |
f |
[MG]B:308 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.067 |
78 |
|
[58A]D:315 |
6 |
1 |
1364 |
f |
[MG]D:314 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.067 |
79 |
|
[58A]C:310 |
5 |
1 |
1365 |
f |
[MG]C:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
36.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.067 |
| 70 |
80 |
|
[8K6]D:303 |
5 |
1 |
288 |
◊ |
[8K6]A:301 |
x,y,z |
1_555 |
4 |
1 |
291 |
39.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| 71 |
81 |
|
[8K6]C:305 |
3 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17611 |
38.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 72 |
82 |
|
[8K6]D:309 |
4 |
1 |
292 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
2 |
17876 |
38.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 73 |
83 |
|
C |
3 |
1 |
17611 |
◊ |
[8K6]C:302 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
285 |
38.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 74 |
84 |
|
[8K6]C:307 |
2 |
1 |
290 |
◊ |
[8K6]C:306 |
x,y,z |
1_555 |
4 |
1 |
291 |
37.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 75 |
85 |
|
[8K6]D:310 |
3 |
1 |
293 |
◊ |
[8K6]D:309 |
x,y,z |
1_555 |
3 |
1 |
292 |
36.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 76 |
86 |
|
[MG]A:309 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17772 |
34.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.081 |
87 |
|
[MG]B:307 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
17984 |
34.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
88 |
|
[MG]D:313 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
17876 |
34.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
89 |
|
[MG]C:308 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
17611 |
34.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
34.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.081 |
| 77 |
90 |
|
[8K6]D:311 |
4 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
17772 |
34.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 78 |
91 |
|
[8K6]D:307 |
2 |
1 |
286 |
f |
[8K6]D:306 |
x,y,z |
1_555 |
2 |
1 |
287 |
34.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
| 79 |
92 |
|
[8K6]D:310 |
5 |
1 |
293 |
◊ |
[8K6]D:301 |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
290 |
33.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 80 |
93 |
|
[8K6]B:305 |
2 |
1 |
293 |
f |
[8K6]B:301 |
x,y,z |
1_555 |
4 |
1 |
290 |
32.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| 81 |
94 |
|
[58A]A:311 |
4 |
1 |
1354 |
f |
[MG]A:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.044 |
95 |
|
[58A]C:310 |
6 |
1 |
1365 |
f |
[MG]C:308 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.044 |
96 |
|
[58A]B:309 |
5 |
1 |
1369 |
f |
[MG]B:307 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.044 |
97 |
|
[58A]D:315 |
5 |
1 |
1364 |
f |
[MG]D:313 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
30.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| 82 |
98 |
|
[58A]D:315 |
3 |
1 |
1364 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
17772 |
30.7 |
-1.0 |
0.353 |
0 |
0 |
0 |
0.000 |
| 83 |
99 |
|
[8K6]D:302 |
2 |
1 |
292 |
f |
[8K6]D:301 |
x,y,z |
1_555 |
3 |
1 |
290 |
30.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
| 84 |
100 |
|
[MG]B:308 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
17984 |
30.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.062 |
101 |
|
[MG]C:309 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
17611 |
29.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.062 |
102 |
|
[MG]D:314 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
17876 |
29.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
29.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.062 |
| 85 |
103 |
|
B |
3 |
1 |
17984 |
◊ |
[8K6]C:306 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
291 |
29.8 |
-0.5 |
0.860 |
0 |
0 |
0 |
0.000 |
| 86 |
104 |
|
[8K6]D:307 |
2 |
1 |
286 |
f |
[8K6]D:304 |
x,y,z |
1_555 |
2 |
1 |
280 |
29.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 87 |
105 |
|
[8K6]D:303 |
2 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17772 |
28.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 88 |
106 |
|
C |
4 |
2 |
17611 |
◊ |
[8K6]C:307 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
290 |
28.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 89 |
107 |
|
[8K6]D:311 |
5 |
1 |
291 |
◊ |
[8K6]A:303 |
x,y,z |
1_555 |
3 |
1 |
290 |
27.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 90 |
108 |
|
[8K6]D:310 |
3 |
1 |
293 |
◊ |
[8K6]D:302 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
292 |
26.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 91 |
109 |
|
[8K6]D:302 |
2 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17772 |
25.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| 92 |
110 |
|
[8K6]D:308 |
2 |
1 |
291 |
f |
[8K6]D:305 |
x,y,z |
1_555 |
2 |
1 |
291 |
19.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 93 |
111 |
|
C |
3 |
1 |
17611 |
◊ |
[8K6]B:303 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
290 |
18.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 94 |
112 |
|
[8K6]D:312 |
1 |
1 |
294 |
◊ |
[8K6]A:306 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
290 |
17.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 95 |
113 |
|
D |
1 |
1 |
17876 |
x |
D |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
17876 |
16.6 |
-0.5 |
0.309 |
0 |
0 |
0 |
0.000 |
| 96 |
114 |
|
[MG]A:310 |
1 |
1 |
98 |
f |
[MG]A:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| 97 |
115 |
|
[MG]B:308 |
1 |
1 |
98 |
f |
[MG]B:307 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 98 |
116 |
|
[MG]D:314 |
1 |
1 |
98 |
f |
[MG]D:313 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 99 |
117 |
|
[MG]C:309 |
1 |
1 |
98 |
f |
[MG]C:308 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 100 |
118 |
|
[8K6]B:303 |
2 |
1 |
290 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17611 |
9.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 101 |
119 |
|
[8K6]D:312 |
2 |
1 |
294 |
◊ |
[8K6]A:308 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
290 |
9.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 102 |
120 |
|
[8K6]D:310 |
2 |
1 |
293 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
3 |
17772 |
6.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 103 |
121 |
|
[58A]A:311 |
1 |
1 |
1354 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17984 |
4.8 |
-0.2 |
0.485 |
0 |
0 |
0 |
0.001 |
| 104 |
122 |
|
[58A]B:309 |
1 |
1 |
1369 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17772 |
3.9 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
| 105 |
123 |
|
C |
1 |
1 |
17611 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
2 |
17984 |
3.9 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| 106 |
124 |
|
[8K6]D:310 |
1 |
1 |
293 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
17876 |
2.0 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 107 |
125 |
|
C |
1 |
1 |
17611 |
◊ |
[8K6]B:304 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
289 |
1.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 108 |
126 |
|
D |
1 |
1 |
17876 |
◊ |
[8K6]D:302 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
292 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|