| ## |
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 |
|
X |
235 |
66 |
12572 |
◊ |
A |
x,y,z |
1_555 |
235 |
67 |
12493 |
2240.3 |
-51.9 |
0.205 |
10 |
0 |
0 |
1.000 |
| 2 |
2 |
|
X |
51 |
19 |
12572 |
x |
X |
-x,y-1/2,-z+1 |
2_546 |
48 |
17 |
12572 |
480.4 |
-11.8 |
0.177 |
0 |
0 |
0 |
0.000 |
3 |
|
A |
50 |
17 |
12493 |
x |
A |
-x,y-1/2,-z |
2_545 |
42 |
15 |
12493 |
457.4 |
-10.5 |
0.309 |
0 |
0 |
0 |
0.000 |
| Average: |
468.9 |
-11.1 |
0.243 |
0 |
0 |
0 |
0.000 |
| 3 |
4 |
|
[RET]X:317 |
19 |
1 |
543 |
cf |
X |
x,y,z |
1_555 |
58 |
19 |
12572 |
349.0 |
-1.6 |
0.690 |
0 |
0 |
0 |
0.292 |
5 |
|
[RET]A:818 |
19 |
1 |
540 |
cf |
A |
x,y,z |
1_555 |
57 |
19 |
12493 |
347.6 |
-1.7 |
0.704 |
0 |
0 |
0 |
0.292 |
| Average: |
348.3 |
-1.6 |
0.697 |
0 |
0 |
0 |
0.292 |
| 4 |
6 |
|
[OLC]X:303 |
23 |
1 |
642 |
f |
X |
-x,y-1/2,-z+1 |
2_546 |
43 |
12 |
12572 |
316.4 |
0.4 |
0.539 |
1 |
0 |
0 |
0.003 |
| 5 |
7 |
|
[LFA]A:805 |
15 |
1 |
502 |
f |
A |
x,y,z |
1_555 |
45 |
13 |
12493 |
274.2 |
-1.9 |
0.456 |
0 |
0 |
0 |
0.337 |
8 |
|
[LFA]X:305 |
16 |
1 |
530 |
f |
X |
x,y,z |
1_555 |
48 |
13 |
12572 |
254.1 |
-1.9 |
0.378 |
0 |
0 |
0 |
0.337 |
| Average: |
264.1 |
-1.9 |
0.417 |
0 |
0 |
0 |
0.337 |
| 6 |
9 |
|
[OLA]A:803 |
19 |
1 |
567 |
f |
A |
x,y,z |
1_555 |
40 |
11 |
12493 |
261.3 |
0.3 |
0.375 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
X |
28 |
8 |
12572 |
x |
X |
x-1,y,z |
1_455 |
28 |
13 |
12572 |
244.2 |
-3.8 |
0.723 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[LFA]X:309 |
17 |
1 |
543 |
f |
X |
x,y,z |
1_555 |
36 |
12 |
12572 |
241.6 |
-0.3 |
0.388 |
0 |
0 |
0 |
0.030 |
| 9 |
12 |
|
A |
20 |
9 |
12493 |
x |
A |
x-1,y,z |
1_455 |
29 |
9 |
12493 |
238.2 |
-3.0 |
0.786 |
3 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[LFA]X:315 |
17 |
1 |
534 |
◊ |
X |
x,y,z |
1_555 |
40 |
9 |
12572 |
229.7 |
1.3 |
0.424 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
X |
19 |
7 |
12572 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
9 |
12493 |
215.5 |
-1.0 |
0.892 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[OLC]X:302 |
18 |
1 |
637 |
◊ |
X |
x,y,z |
1_555 |
24 |
10 |
12572 |
198.7 |
0.3 |
0.429 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[LFA]A:808 |
16 |
1 |
588 |
◊ |
A |
x,y,z |
1_555 |
27 |
6 |
12493 |
191.2 |
1.5 |
0.477 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[LFA]A:806 |
12 |
1 |
509 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
12493 |
181.9 |
0.2 |
0.235 |
0 |
0 |
0 |
0.000 |
18 |
|
[LFA]X:307 |
11 |
1 |
487 |
f |
X |
x,y,z |
1_555 |
22 |
9 |
12572 |
179.2 |
0.6 |
0.231 |
0 |
0 |
0 |
0.000 |
| Average: |
180.6 |
0.4 |
0.233 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[LFA]A:812 |
13 |
1 |
453 |
f |
A |
x,y,z |
1_555 |
33 |
9 |
12493 |
181.0 |
2.5 |
0.295 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[LFA]X:306 |
12 |
1 |
481 |
◊ |
X |
x,y,z |
1_555 |
28 |
6 |
12572 |
175.9 |
2.1 |
0.336 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[LFA]X:310 |
8 |
1 |
322 |
f |
X |
x,y,z |
1_555 |
27 |
10 |
12572 |
173.5 |
5.2 |
0.051 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
A |
16 |
6 |
12493 |
◊ |
X |
x-1,y,z |
1_455 |
20 |
7 |
12572 |
171.9 |
-2.6 |
0.650 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[OLA]A:802 |
16 |
1 |
501 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
12493 |
162.9 |
1.2 |
0.170 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[LFA]A:811 |
11 |
1 |
390 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
12493 |
161.7 |
3.1 |
0.162 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[OLC]A:804 |
15 |
1 |
474 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
12493 |
160.4 |
1.2 |
0.281 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[LFA]A:816 |
8 |
1 |
315 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
12493 |
153.3 |
4.3 |
0.036 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[OLC]A:804 |
16 |
1 |
474 |
f |
A |
-x,y-1/2,-z |
2_545 |
21 |
6 |
12493 |
153.1 |
-0.3 |
0.207 |
3 |
0 |
0 |
0.149 |
| 24 |
28 |
|
[LFA]A:810 |
7 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
12493 |
152.3 |
4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[LFA]A:806 |
13 |
1 |
509 |
◊ |
X |
x,y,z |
1_555 |
13 |
6 |
12572 |
145.1 |
0.3 |
0.118 |
0 |
0 |
0 |
0.000 |
30 |
|
[LFA]X:307 |
13 |
1 |
487 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
12493 |
135.1 |
0.6 |
0.107 |
0 |
0 |
0 |
0.000 |
| Average: |
140.1 |
0.4 |
0.113 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[LFA]A:807 |
10 |
1 |
377 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
12493 |
143.2 |
-1.8 |
0.483 |
0 |
0 |
0 |
0.158 |
| 27 |
32 |
|
[LFA]X:301 |
12 |
1 |
428 |
f |
X |
-x,y-1/2,-z+1 |
2_546 |
20 |
7 |
12572 |
140.7 |
-2.4 |
0.402 |
0 |
0 |
0 |
0.217 |
| 28 |
33 |
|
[LFA]X:313 |
10 |
1 |
371 |
◊ |
X |
x,y,z |
1_555 |
23 |
7 |
12572 |
139.3 |
3.9 |
0.754 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[OLC]X:303 |
15 |
1 |
642 |
◊ |
X |
x,y,z |
1_555 |
15 |
5 |
12572 |
134.6 |
2.2 |
0.544 |
1 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[LFA]A:813 |
12 |
1 |
503 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
12493 |
130.2 |
1.3 |
0.256 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[LFA]X:308 |
14 |
1 |
482 |
f |
X |
x,y,z |
1_555 |
11 |
5 |
12572 |
123.9 |
1.0 |
0.120 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[LFA]A:815 |
7 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
12493 |
123.0 |
3.3 |
0.636 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[LFA]A:814 |
11 |
1 |
403 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12493 |
122.5 |
1.9 |
0.063 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[LFA]X:312 |
10 |
1 |
377 |
◊ |
X |
x,y,z |
1_555 |
12 |
4 |
12572 |
121.2 |
2.7 |
0.459 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[LFA]X:301 |
12 |
1 |
428 |
◊ |
X |
x,y,z |
1_555 |
22 |
7 |
12572 |
120.2 |
0.0 |
0.695 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[LFA]X:308 |
12 |
1 |
482 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
12493 |
118.1 |
0.4 |
0.110 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[LFA]A:809 |
10 |
1 |
460 |
◊ |
X |
x,y,z |
1_555 |
11 |
4 |
12572 |
112.6 |
0.7 |
0.119 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[OLA]A:803 |
11 |
1 |
567 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
15 |
5 |
12493 |
112.4 |
2.2 |
0.549 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[LFA]A:809 |
10 |
1 |
460 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12493 |
106.0 |
1.0 |
0.120 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[LFA]A:812 |
9 |
1 |
453 |
◊ |
[LFA]A:811 |
x,y,z |
1_555 |
7 |
1 |
390 |
102.4 |
5.0 |
0.079 |
0 |
0 |
0 |
0.000 |
| 41 |
46 |
|
[OLA]A:803 |
12 |
1 |
567 |
◊ |
[LFA]A:814 |
-x,y-1/2,-z |
2_545 |
8 |
1 |
403 |
102.2 |
3.1 |
0.046 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[OLA]A:802 |
11 |
1 |
501 |
◊ |
[OLC]A:804 |
x,y,z |
1_555 |
13 |
1 |
474 |
102.1 |
2.8 |
0.081 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[LFA]X:301 |
11 |
1 |
428 |
◊ |
[OLC]X:302 |
-x,y-1/2,-z+1 |
2_546 |
11 |
1 |
637 |
100.4 |
2.7 |
0.509 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[LFA]X:314 |
7 |
1 |
295 |
◊ |
X |
x,y,z |
1_555 |
17 |
4 |
12572 |
98.9 |
2.8 |
0.811 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
A |
8 |
3 |
12493 |
◊ |
[LFA]A:814 |
-x,y-1/2,-z |
2_545 |
11 |
1 |
403 |
95.1 |
1.2 |
0.031 |
0 |
0 |
0 |
0.000 |
| 46 |
51 |
|
[LFA]X:312 |
8 |
1 |
377 |
◊ |
[OLC]X:303 |
x,y,z |
1_555 |
12 |
1 |
642 |
94.9 |
4.2 |
0.577 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[LFA]X:316 |
6 |
1 |
350 |
◊ |
[LFA]X:306 |
x,y,z |
1_555 |
9 |
1 |
481 |
93.6 |
3.4 |
0.183 |
0 |
0 |
0 |
0.000 |
| 48 |
53 |
|
[LFA]X:312 |
9 |
1 |
377 |
◊ |
X |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
12572 |
92.1 |
1.7 |
0.402 |
0 |
0 |
0 |
0.000 |
| 49 |
54 |
|
[LFA]A:812 |
8 |
1 |
453 |
f |
[LFA]A:807 |
x,y,z |
1_555 |
6 |
1 |
377 |
86.7 |
2.4 |
0.254 |
0 |
0 |
0 |
0.000 |
| 50 |
55 |
|
[LFA]X:307 |
10 |
1 |
487 |
f |
[LFA]A:817 |
x,y,z |
1_555 |
6 |
1 |
296 |
83.5 |
4.3 |
0.244 |
0 |
0 |
0 |
0.000 |
| 51 |
56 |
|
[SO4]X:304 |
5 |
1 |
182 |
f |
X |
x,y,z |
1_555 |
8 |
3 |
12572 |
81.0 |
-9.5 |
0.987 |
3 |
0 |
0 |
0.975 |
| 52 |
57 |
|
[LFA]X:311 |
8 |
1 |
349 |
◊ |
[OLC]X:302 |
-x,y-1/2,-z+1 |
2_546 |
11 |
1 |
637 |
79.1 |
3.6 |
0.560 |
0 |
0 |
0 |
0.000 |
| 53 |
58 |
|
[LFA]X:311 |
6 |
1 |
349 |
◊ |
X |
x,y,z |
1_555 |
9 |
4 |
12572 |
77.0 |
2.2 |
0.728 |
0 |
0 |
0 |
0.000 |
| 54 |
59 |
|
[LFA]X:315 |
8 |
1 |
534 |
f |
[OLC]X:302 |
x,y,z |
1_555 |
6 |
1 |
637 |
74.8 |
-0.1 |
0.173 |
0 |
0 |
0 |
0.013 |
| 55 |
60 |
|
[LFA]A:813 |
11 |
1 |
503 |
◊ |
[LFA]A:806 |
x,y,z |
1_555 |
8 |
1 |
509 |
74.8 |
3.6 |
0.151 |
0 |
0 |
0 |
0.000 |
| 56 |
61 |
|
[LFA]X:316 |
7 |
1 |
350 |
f |
X |
x,y,z |
1_555 |
13 |
5 |
12572 |
72.3 |
1.8 |
0.820 |
0 |
0 |
0 |
0.000 |
| 57 |
62 |
|
[OLA]A:802 |
7 |
1 |
501 |
f |
[LFA]A:807 |
x,y,z |
1_555 |
6 |
1 |
377 |
72.2 |
0.4 |
0.149 |
0 |
0 |
0 |
0.000 |
| 58 |
63 |
|
[LFA]X:308 |
9 |
1 |
482 |
◊ |
[LFA]A:815 |
x,y,z |
1_555 |
5 |
1 |
299 |
71.9 |
4.6 |
0.374 |
0 |
0 |
0 |
0.000 |
| 59 |
64 |
|
[LFA]A:817 |
6 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12493 |
70.1 |
1.9 |
0.559 |
0 |
0 |
0 |
0.000 |
| 60 |
65 |
|
X |
9 |
4 |
12572 |
f |
[OLC]X:302 |
-x,y-1/2,-z+1 |
2_546 |
9 |
1 |
637 |
69.0 |
0.8 |
0.552 |
1 |
0 |
0 |
0.000 |
| 61 |
66 |
|
[LFA]A:816 |
5 |
1 |
315 |
◊ |
[LFA]A:809 |
x,y,z |
1_555 |
6 |
1 |
460 |
66.6 |
4.4 |
0.406 |
0 |
0 |
0 |
0.000 |
| 62 |
67 |
|
[LFA]X:310 |
7 |
1 |
322 |
f |
[LFA]X:309 |
x,y,z |
1_555 |
7 |
1 |
543 |
66.5 |
2.5 |
0.488 |
0 |
0 |
0 |
0.000 |
| 63 |
68 |
|
[LFA]X:316 |
7 |
1 |
350 |
f |
[LFA]X:305 |
x,y,z |
1_555 |
10 |
1 |
530 |
65.2 |
2.5 |
0.484 |
0 |
0 |
0 |
0.000 |
| 64 |
69 |
|
[OLA]A:802 |
7 |
1 |
501 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
8 |
5 |
12493 |
64.8 |
1.8 |
0.437 |
1 |
0 |
0 |
0.000 |
| 65 |
70 |
|
[LFA]X:315 |
7 |
1 |
534 |
f |
[LFA]X:314 |
x,y,z |
1_555 |
5 |
1 |
295 |
63.1 |
2.1 |
0.353 |
0 |
0 |
0 |
0.000 |
| 66 |
71 |
|
[LFA]X:311 |
8 |
1 |
349 |
f |
[LFA]X:301 |
x,y,z |
1_555 |
6 |
1 |
428 |
62.4 |
2.1 |
0.691 |
0 |
0 |
0 |
0.000 |
| 67 |
72 |
|
[GOL]A:801 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12493 |
58.3 |
-0.5 |
0.660 |
1 |
0 |
0 |
0.087 |
| 68 |
73 |
|
X |
11 |
4 |
12572 |
◊ |
[LFA]X:316 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
350 |
58.3 |
1.7 |
0.306 |
0 |
0 |
0 |
0.000 |
| 69 |
74 |
|
[LFA]X:308 |
6 |
1 |
482 |
f |
[LFA]X:309 |
x,y,z |
1_555 |
4 |
1 |
543 |
49.4 |
0.8 |
0.146 |
0 |
0 |
0 |
0.000 |
| 70 |
75 |
|
[LFA]X:315 |
4 |
1 |
534 |
f |
[LFA]X:313 |
x,y,z |
1_555 |
4 |
1 |
371 |
48.7 |
3.2 |
0.749 |
0 |
0 |
0 |
0.000 |
| 71 |
76 |
|
[LFA]X:314 |
7 |
1 |
295 |
f |
[LFA]X:313 |
x,y,z |
1_555 |
4 |
1 |
371 |
47.9 |
3.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 72 |
77 |
|
[LFA]X:313 |
6 |
1 |
371 |
◊ |
[LFA]X:316 |
-x,y-1/2,-z+1 |
2_546 |
6 |
1 |
350 |
47.8 |
3.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 73 |
78 |
|
[LFA]X:306 |
6 |
1 |
481 |
◊ |
[LFA]X:305 |
x,y,z |
1_555 |
6 |
1 |
530 |
46.9 |
-0.2 |
0.109 |
0 |
0 |
0 |
0.000 |
| 74 |
79 |
|
[GOL]A:801 |
2 |
1 |
219 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
8 |
6 |
12493 |
45.6 |
0.3 |
0.751 |
1 |
0 |
0 |
0.000 |
| 75 |
80 |
|
[LFA]A:817 |
5 |
1 |
296 |
◊ |
[LFA]A:808 |
x,y,z |
1_555 |
6 |
1 |
588 |
45.1 |
1.4 |
0.450 |
0 |
0 |
0 |
0.000 |
| 76 |
81 |
|
[OLA]A:802 |
4 |
1 |
501 |
f |
[GOL]A:801 |
x,y,z |
1_555 |
2 |
1 |
219 |
44.3 |
0.0 |
0.215 |
0 |
0 |
0 |
0.000 |
| 77 |
82 |
|
[LFA]A:808 |
6 |
1 |
588 |
◊ |
[LFA]A:805 |
x,y,z |
1_555 |
4 |
1 |
502 |
43.9 |
0.6 |
0.275 |
0 |
0 |
0 |
0.000 |
| 78 |
83 |
|
[RET]A:818 |
2 |
1 |
540 |
f |
[LFA]A:805 |
x,y,z |
1_555 |
5 |
1 |
502 |
43.4 |
0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
84 |
|
[RET]X:317 |
2 |
1 |
543 |
f |
[LFA]X:305 |
x,y,z |
1_555 |
5 |
1 |
530 |
40.8 |
0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
| Average: |
42.1 |
0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
| 79 |
85 |
|
X |
3 |
2 |
12572 |
◊ |
[LFA]X:305 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
530 |
35.5 |
0.5 |
0.352 |
0 |
0 |
0 |
0.000 |
86 |
|
[LFA]A:805 |
3 |
1 |
502 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
12493 |
32.9 |
0.5 |
0.335 |
0 |
0 |
0 |
0.000 |
| Average: |
34.2 |
0.5 |
0.344 |
0 |
0 |
0 |
0.000 |
| 80 |
87 |
|
[LFA]A:813 |
4 |
1 |
503 |
f |
X |
x,y,z |
1_555 |
3 |
1 |
12572 |
35.1 |
0.7 |
0.301 |
0 |
0 |
0 |
0.000 |
| 81 |
88 |
|
[OLA]A:803 |
3 |
1 |
567 |
◊ |
[LFA]A:808 |
x,y,z |
1_555 |
5 |
1 |
588 |
32.0 |
0.5 |
0.217 |
0 |
0 |
0 |
0.000 |
| 82 |
89 |
|
[LFA]X:307 |
3 |
1 |
487 |
◊ |
[LFA]A:808 |
x,y,z |
1_555 |
5 |
1 |
588 |
31.3 |
0.6 |
0.220 |
0 |
0 |
0 |
0.000 |
| 83 |
90 |
|
[LFA]A:816 |
2 |
1 |
315 |
◊ |
[LFA]A:806 |
x,y,z |
1_555 |
2 |
1 |
509 |
31.2 |
0.6 |
0.359 |
0 |
0 |
0 |
0.000 |
| 84 |
91 |
|
[LFA]A:805 |
2 |
1 |
502 |
◊ |
[LFA]A:811 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
390 |
30.9 |
1.2 |
0.327 |
0 |
0 |
0 |
0.000 |
| 85 |
92 |
|
X |
4 |
1 |
12572 |
f |
[LFA]X:306 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
481 |
28.1 |
-0.9 |
0.183 |
0 |
0 |
0 |
0.080 |
| 86 |
93 |
|
[LFA]X:313 |
2 |
1 |
371 |
◊ |
[LFA]X:305 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
530 |
27.8 |
1.8 |
0.755 |
0 |
0 |
0 |
0.000 |
| 87 |
94 |
|
[LFA]X:306 |
3 |
1 |
481 |
◊ |
[LFA]A:806 |
x,y,z |
1_555 |
2 |
1 |
509 |
27.1 |
1.8 |
0.372 |
0 |
0 |
0 |
0.000 |
| 88 |
95 |
|
[LFA]X:313 |
3 |
1 |
371 |
◊ |
[LFA]X:306 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
481 |
25.0 |
0.4 |
0.303 |
0 |
0 |
0 |
0.000 |
| 89 |
96 |
|
[OLC]X:303 |
3 |
1 |
642 |
◊ |
[LFA]X:306 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
481 |
25.0 |
-0.1 |
0.187 |
0 |
0 |
0 |
0.000 |
| 90 |
97 |
|
[LFA]A:808 |
2 |
1 |
588 |
f |
[LFA]A:814 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
403 |
24.7 |
0.4 |
0.251 |
0 |
0 |
0 |
0.000 |
| 91 |
98 |
|
[LFA]A:808 |
1 |
1 |
588 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
12493 |
21.8 |
0.5 |
0.489 |
0 |
0 |
0 |
0.000 |
| 92 |
99 |
|
[LFA]X:312 |
1 |
1 |
377 |
◊ |
[LFA]X:306 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
481 |
19.5 |
0.4 |
0.307 |
0 |
0 |
0 |
0.000 |
| 93 |
100 |
|
[OLA]A:803 |
2 |
1 |
567 |
f |
[LFA]A:815 |
x,y,z |
1_555 |
2 |
1 |
299 |
18.9 |
0.4 |
0.390 |
0 |
0 |
0 |
0.000 |
| 94 |
101 |
|
[LFA]A:814 |
2 |
1 |
403 |
f |
[LFA]A:811 |
x,y,z |
1_555 |
2 |
1 |
390 |
18.3 |
0.5 |
0.157 |
0 |
0 |
0 |
0.000 |
| 95 |
102 |
|
[LFA]A:808 |
2 |
1 |
588 |
f |
[LFA]A:811 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
390 |
18.0 |
1.2 |
0.309 |
0 |
0 |
0 |
0.000 |
| 96 |
103 |
|
[LFA]A:816 |
1 |
1 |
315 |
f |
X |
x,y,z |
1_555 |
1 |
1 |
12572 |
16.2 |
0.3 |
0.439 |
0 |
0 |
0 |
0.000 |
| 97 |
104 |
|
[LFA]A:809 |
2 |
1 |
460 |
f |
[LFA]A:806 |
x,y,z |
1_555 |
2 |
1 |
509 |
15.9 |
0.3 |
0.216 |
0 |
0 |
0 |
0.000 |
| 98 |
105 |
|
[LFA]X:308 |
1 |
1 |
482 |
f |
[LFA]A:817 |
x,y,z |
1_555 |
1 |
1 |
296 |
14.8 |
1.0 |
0.535 |
0 |
0 |
0 |
0.000 |
| 99 |
106 |
|
[LFA]X:313 |
3 |
1 |
371 |
f |
[LFA]X:312 |
x,y,z |
1_555 |
2 |
1 |
377 |
13.3 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 100 |
107 |
|
X |
2 |
1 |
12572 |
x |
X |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
12572 |
9.6 |
0.4 |
0.897 |
0 |
0 |
0 |
0.000 |
| 101 |
108 |
|
[LFA]X:308 |
1 |
1 |
482 |
f |
[LFA]X:307 |
x,y,z |
1_555 |
1 |
1 |
487 |
8.9 |
0.2 |
0.286 |
0 |
0 |
0 |
0.000 |
| 102 |
109 |
|
[LFA]X:307 |
1 |
1 |
487 |
f |
[LFA]X:309 |
x,y,z |
1_555 |
1 |
1 |
543 |
7.4 |
-0.2 |
0.389 |
0 |
0 |
0 |
0.021 |
| 103 |
110 |
|
A |
2 |
1 |
12493 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12493 |
6.6 |
-0.2 |
0.456 |
0 |
0 |
0 |
0.000 |
| 104 |
111 |
|
[LFA]A:815 |
2 |
1 |
299 |
◊ |
[LFA]A:814 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
403 |
5.8 |
0.4 |
0.396 |
0 |
0 |
0 |
0.000 |
| 105 |
112 |
|
[LFA]X:309 |
1 |
1 |
543 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12493 |
5.4 |
-0.2 |
0.443 |
0 |
0 |
0 |
0.015 |
| 106 |
113 |
|
[SO4]X:304 |
1 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12493 |
1.2 |
-0.1 |
0.906 |
0 |
0 |
0 |
0.011 |
|