| ## |
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 |
|
A |
49 |
12 |
6708 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
46 |
14 |
6708 |
368.4 |
0.5 |
0.483 |
4 |
2 |
0 |
0.000 |
| 2 |
2 |
|
A |
31 |
10 |
6708 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
10 |
6708 |
275.2 |
-1.2 |
0.300 |
3 |
2 |
0 |
0.000 |
| 3 |
3 |
|
A |
26 |
11 |
6708 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
24 |
6 |
6708 |
221.2 |
-0.1 |
0.392 |
2 |
3 |
0 |
0.000 |
| 4 |
4 |
|
[PDC]A:302 |
12 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
6708 |
116.4 |
3.3 |
0.347 |
1 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[PDC]A:504 |
12 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
6708 |
97.9 |
2.7 |
0.219 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[PDC]A:604 |
12 |
1 |
306 |
f |
A |
x,y-1,z |
1_545 |
19 |
7 |
6708 |
83.1 |
2.8 |
0.314 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[PDC]A:702 |
12 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
6708 |
80.7 |
3.1 |
0.282 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[PDC]A:304 |
12 |
1 |
302 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
3 |
6708 |
79.4 |
2.5 |
0.265 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
A |
15 |
5 |
6708 |
◊ |
[PDC]A:303 |
x-1/2,y+1/2,z |
3_455 |
11 |
1 |
307 |
77.9 |
1.6 |
0.213 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
A |
10 |
4 |
6708 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
10 |
4 |
6708 |
76.9 |
-0.2 |
0.435 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[PDC]A:303 |
11 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
6708 |
71.8 |
1.4 |
0.169 |
3 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[PDC]A:402 |
12 |
1 |
312 |
f |
[PDC]A:402 |
-x+1,y,-z |
2_655 |
12 |
1 |
312 |
71.2 |
2.3 |
0.062 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6708 |
70.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.062 |
| 14 |
14 |
|
[PDC]A:602 |
9 |
1 |
308 |
f |
A |
x,y-1,z |
1_545 |
13 |
6 |
6708 |
69.7 |
1.9 |
0.326 |
4 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[PDC]A:404 |
12 |
1 |
308 |
f |
[PDC]A:403 |
-x+1,y,-z |
2_655 |
12 |
1 |
308 |
67.6 |
2.4 |
0.076 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[PDC]A:602 |
8 |
1 |
308 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
18 |
5 |
6708 |
65.4 |
1.2 |
0.255 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
A |
9 |
2 |
6708 |
◊ |
[PDC]A:304 |
x-1/2,y+1/2,z |
3_455 |
7 |
1 |
302 |
63.5 |
1.5 |
0.351 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
A |
8 |
3 |
6708 |
◊ |
[PDC]A:503 |
x,y-1,z |
1_545 |
11 |
1 |
305 |
59.7 |
1.4 |
0.124 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[PDC]A:503 |
7 |
1 |
305 |
fx |
[EU]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
58.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
|
[PDC]A:702 |
7 |
1 |
304 |
fx |
[EU]A:205 |
x,y,z |
1_555 |
1 |
1 |
216 |
58.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
|
[PDC]A:504 |
7 |
1 |
307 |
fx |
[EU]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
55.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
|
[PDC]A:502 |
7 |
1 |
303 |
fx |
[EU]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
53.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[PDC]A:304 |
7 |
1 |
302 |
fx |
[EU]A:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
49.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[PDC]A:302 |
7 |
1 |
306 |
fx |
[EU]A:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
48.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[PDC]A:303 |
7 |
1 |
307 |
fx |
[EU]A:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
47.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[PDC]A:602 |
7 |
1 |
308 |
fx |
[EU]A:204 |
x,y,z |
1_555 |
1 |
1 |
216 |
46.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[PDC]A:402 |
7 |
1 |
312 |
fx |
[EU]A:202 |
x,y,z |
1_555 |
1 |
1 |
216 |
45.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[PDC]A:603 |
7 |
1 |
308 |
fx |
[EU]A:204 |
x,y,z |
1_555 |
1 |
1 |
216 |
45.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[PDC]A:403 |
7 |
1 |
308 |
fx |
[EU]A:202 |
x,y,z |
1_555 |
1 |
1 |
216 |
44.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[PDC]A:404 |
7 |
1 |
308 |
fx |
[EU]A:202 |
x,y,z |
1_555 |
1 |
1 |
216 |
44.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[PDC]A:604 |
7 |
1 |
306 |
fx |
[EU]A:204 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
49.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
A |
12 |
3 |
6708 |
◊ |
[PDC]A:502 |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
1 |
303 |
56.6 |
1.2 |
0.191 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[EU]A:201 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6708 |
53.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 22 |
34 |
|
[PDC]A:502 |
5 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6708 |
50.2 |
1.2 |
0.284 |
4 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[PDC]A:504 |
7 |
1 |
307 |
f |
[PDC]A:503 |
x,y,z |
1_555 |
7 |
1 |
305 |
49.8 |
0.4 |
0.023 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
A |
8 |
4 |
6708 |
x |
A |
x,y-1,z |
1_545 |
10 |
4 |
6708 |
48.4 |
1.5 |
0.773 |
0 |
0 |
0 |
0.000 |
| 25 |
37 |
|
[PDC]A:603 |
6 |
1 |
308 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
5 |
3 |
6708 |
48.0 |
1.0 |
0.312 |
1 |
0 |
0 |
0.000 |
| 26 |
38 |
|
A |
8 |
4 |
6708 |
◊ |
[PDC]A:502 |
x,y-1,z |
1_545 |
5 |
1 |
303 |
47.6 |
1.0 |
0.351 |
3 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[PDC]A:604 |
6 |
1 |
306 |
cf |
[PDC]A:702 |
x,y-1,z |
1_545 |
8 |
1 |
304 |
46.7 |
1.5 |
0.082 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[PDC]A:503 |
7 |
1 |
305 |
f |
[PDC]A:502 |
x,y,z |
1_555 |
7 |
1 |
303 |
46.1 |
0.7 |
0.032 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
[PDC]A:604 |
9 |
1 |
306 |
f |
[EU]A:205 |
x,y-1,z |
1_545 |
1 |
1 |
216 |
45.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[PDC]A:603 |
7 |
1 |
308 |
f |
[EU]A:205 |
x,y-1,z |
1_545 |
1 |
1 |
216 |
29.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
37.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
43 |
|
[PDC]A:402 |
12 |
1 |
312 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
6708 |
45.1 |
0.9 |
0.119 |
1 |
0 |
0 |
0.000 |
| 31 |
44 |
|
[PDC]A:402 |
12 |
1 |
312 |
◊ |
A |
-x+1,y,-z |
2_655 |
11 |
3 |
6708 |
44.8 |
1.1 |
0.149 |
1 |
0 |
0 |
0.000 |
| 32 |
45 |
|
[PDC]A:403 |
12 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
6708 |
43.7 |
0.8 |
0.103 |
2 |
0 |
0 |
0.000 |
46 |
|
[PDC]A:404 |
12 |
1 |
308 |
◊ |
A |
-x+1,y,-z |
2_655 |
10 |
3 |
6708 |
43.2 |
0.8 |
0.100 |
2 |
0 |
0 |
0.000 |
| Average: |
43.5 |
0.8 |
0.101 |
2 |
0 |
0 |
0.000 |
| 33 |
47 |
|
[PDC]A:504 |
7 |
1 |
307 |
f |
[PDC]A:502 |
x,y,z |
1_555 |
7 |
1 |
303 |
43.4 |
-0.4 |
0.012 |
0 |
0 |
0 |
0.000 |
48 |
|
[PDC]A:304 |
7 |
1 |
302 |
f |
[PDC]A:302 |
x,y,z |
1_555 |
7 |
1 |
306 |
38.4 |
-0.3 |
0.012 |
0 |
0 |
0 |
0.000 |
| Average: |
40.9 |
-0.4 |
0.012 |
0 |
0 |
0 |
0.000 |
| 34 |
49 |
|
[PDC]A:603 |
5 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
6708 |
43.0 |
0.6 |
0.272 |
1 |
0 |
0 |
0.000 |
| 35 |
50 |
|
[PDC]A:404 |
7 |
1 |
308 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
13 |
4 |
6708 |
40.4 |
0.6 |
0.261 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
10 |
2 |
6708 |
◊ |
[PDC]A:403 |
x-1/2,y+1/2,z |
3_455 |
7 |
1 |
308 |
39.2 |
0.6 |
0.253 |
0 |
0 |
0 |
0.000 |
| Average: |
39.8 |
0.6 |
0.257 |
0 |
0 |
0 |
0.000 |
| 36 |
52 |
|
A |
6 |
2 |
6708 |
◊ |
[PDC]A:503 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
305 |
40.3 |
1.2 |
0.459 |
1 |
0 |
0 |
0.000 |
| 37 |
53 |
|
[PDC]A:302 |
6 |
1 |
306 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
6708 |
40.1 |
0.7 |
0.190 |
2 |
0 |
0 |
0.000 |
| 38 |
54 |
|
[PDC]A:603 |
7 |
1 |
308 |
f |
[PDC]A:602 |
x,y,z |
1_555 |
8 |
1 |
308 |
39.8 |
0.3 |
0.023 |
0 |
0 |
0 |
0.000 |
| 39 |
55 |
|
[PDC]A:303 |
7 |
1 |
307 |
f |
[PDC]A:302 |
x,y,z |
1_555 |
7 |
1 |
306 |
39.7 |
0.3 |
0.027 |
0 |
0 |
0 |
0.000 |
| 40 |
56 |
|
[PDC]A:304 |
7 |
1 |
302 |
f |
[PDC]A:303 |
x,y,z |
1_555 |
7 |
1 |
307 |
38.5 |
0.5 |
0.034 |
0 |
0 |
0 |
0.000 |
| 41 |
57 |
|
[PDC]A:604 |
7 |
1 |
306 |
f |
[PDC]A:603 |
x,y,z |
1_555 |
7 |
1 |
308 |
38.1 |
0.7 |
0.042 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
[EU]A:204 |
1 |
1 |
216 |
f |
A |
x,y-1,z |
1_545 |
10 |
4 |
6708 |
37.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.011 |
59 |
|
[EU]A:205 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6708 |
19.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
28.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| 43 |
60 |
|
[PDC]A:604 |
8 |
1 |
306 |
f |
[PDC]A:602 |
x,y,z |
1_555 |
7 |
1 |
308 |
35.7 |
-0.3 |
0.010 |
0 |
0 |
0 |
0.000 |
| 44 |
61 |
|
[EU]A:202 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
6708 |
32.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
62 |
|
[PDC]A:304 |
3 |
1 |
302 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
6708 |
32.1 |
0.9 |
0.260 |
2 |
0 |
0 |
0.000 |
| 46 |
63 |
|
[EU]A:203 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6708 |
28.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 47 |
64 |
|
[PDC]A:403 |
7 |
1 |
308 |
f |
[PDC]A:403 |
-x+1,y,-z |
2_655 |
7 |
1 |
308 |
26.8 |
0.5 |
0.045 |
0 |
0 |
0 |
0.000 |
65 |
|
[PDC]A:404 |
7 |
1 |
308 |
f |
[PDC]A:403 |
x,y,z |
1_555 |
7 |
1 |
308 |
26.3 |
0.5 |
0.042 |
0 |
0 |
0 |
0.000 |
66 |
|
[PDC]A:404 |
7 |
1 |
308 |
f |
[PDC]A:404 |
-x+1,y,-z |
2_655 |
7 |
1 |
308 |
26.0 |
0.5 |
0.039 |
0 |
0 |
0 |
0.000 |
| Average: |
26.4 |
0.5 |
0.042 |
0 |
0 |
0 |
0.000 |
| 48 |
67 |
|
[PDC]A:503 |
4 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
6708 |
26.7 |
0.5 |
0.265 |
1 |
0 |
0 |
0.000 |
| 49 |
68 |
|
[PDC]A:403 |
7 |
1 |
308 |
f |
[PDC]A:402 |
-x+1,y,-z |
2_655 |
7 |
1 |
312 |
26.6 |
0.1 |
0.023 |
0 |
0 |
0 |
0.000 |
69 |
|
[PDC]A:404 |
7 |
1 |
308 |
f |
[PDC]A:402 |
x,y,z |
1_555 |
7 |
1 |
312 |
26.3 |
0.1 |
0.022 |
0 |
0 |
0 |
0.000 |
| Average: |
26.4 |
0.1 |
0.022 |
0 |
0 |
0 |
0.000 |
| 50 |
70 |
|
[PDC]A:403 |
7 |
1 |
308 |
f |
[PDC]A:402 |
x,y,z |
1_555 |
7 |
1 |
312 |
26.5 |
-0.2 |
0.013 |
0 |
0 |
0 |
0.000 |
71 |
|
[PDC]A:404 |
7 |
1 |
308 |
f |
[PDC]A:402 |
-x+1,y,-z |
2_655 |
7 |
1 |
312 |
26.2 |
-0.2 |
0.014 |
0 |
0 |
0 |
0.000 |
| Average: |
26.3 |
-0.2 |
0.013 |
0 |
0 |
0 |
0.000 |
| 51 |
72 |
|
[EU]A:201 |
1 |
1 |
216 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
6708 |
26.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
73 |
|
A |
4 |
1 |
6708 |
◊ |
[EU]A:203 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
216 |
25.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
74 |
|
[PDC]A:504 |
3 |
1 |
307 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
5 |
3 |
6708 |
24.7 |
0.8 |
0.404 |
0 |
0 |
0 |
0.000 |
| 54 |
75 |
|
[PDC]A:604 |
6 |
1 |
306 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
6708 |
24.1 |
0.6 |
0.173 |
1 |
0 |
0 |
0.000 |
| 55 |
76 |
|
[PDC]A:603 |
3 |
1 |
308 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
6708 |
24.0 |
1.0 |
0.499 |
0 |
0 |
0 |
0.000 |
| 56 |
77 |
|
[EU]A:204 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
6708 |
23.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 57 |
78 |
|
[EU]A:204 |
1 |
1 |
216 |
f |
[EU]A:205 |
x,y-1,z |
1_545 |
1 |
1 |
216 |
21.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 58 |
79 |
|
[EU]A:204 |
1 |
1 |
216 |
f |
[PDC]A:702 |
x,y-1,z |
1_545 |
3 |
1 |
304 |
19.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
80 |
|
A |
7 |
3 |
6708 |
◊ |
[EU]A:201 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
216 |
19.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
81 |
|
[PDC]A:603 |
3 |
1 |
308 |
f |
A |
x,y-1,z |
1_545 |
3 |
1 |
6708 |
19.2 |
0.4 |
0.261 |
1 |
0 |
0 |
0.000 |
| 61 |
82 |
|
A |
5 |
2 |
6708 |
◊ |
[EU]A:205 |
x,y-1,z |
1_545 |
1 |
1 |
216 |
19.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 62 |
83 |
|
A |
4 |
2 |
6708 |
◊ |
[EU]A:203 |
x,y-1,z |
1_545 |
1 |
1 |
216 |
18.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 63 |
84 |
|
A |
3 |
1 |
6708 |
◊ |
[PDC]A:702 |
x,y-1,z |
1_545 |
3 |
1 |
304 |
18.2 |
0.7 |
0.299 |
0 |
0 |
0 |
0.000 |
| 64 |
85 |
|
[PDC]A:603 |
7 |
1 |
308 |
f |
[PDC]A:702 |
x,y-1,z |
1_545 |
3 |
1 |
304 |
17.9 |
0.6 |
0.071 |
0 |
0 |
0 |
0.000 |
| 65 |
86 |
|
A |
9 |
5 |
6708 |
◊ |
[PDC]A:404 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
308 |
17.1 |
0.3 |
0.303 |
0 |
0 |
0 |
0.000 |
87 |
|
[PDC]A:403 |
3 |
1 |
308 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
8 |
4 |
6708 |
16.3 |
0.3 |
0.303 |
0 |
0 |
0 |
0.000 |
| Average: |
16.7 |
0.3 |
0.303 |
0 |
0 |
0 |
0.000 |
| 66 |
88 |
|
[PDC]A:602 |
3 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6708 |
13.9 |
0.0 |
0.207 |
0 |
0 |
0 |
0.000 |
| 67 |
89 |
|
[EU]A:204 |
1 |
1 |
216 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
3 |
3 |
6708 |
13.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 68 |
90 |
|
A |
2 |
1 |
6708 |
◊ |
[PDC]A:504 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
307 |
13.7 |
0.7 |
0.405 |
0 |
0 |
0 |
0.000 |
| 69 |
91 |
|
A |
1 |
1 |
6708 |
◊ |
[EU]A:205 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
10.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 70 |
92 |
|
[PDC]A:702 |
4 |
1 |
304 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
6708 |
10.6 |
0.4 |
0.257 |
0 |
0 |
0 |
0.000 |
| 71 |
93 |
|
[PDC]A:602 |
2 |
1 |
308 |
f |
[PDC]A:702 |
x,y-1,z |
1_545 |
3 |
1 |
304 |
8.6 |
-0.0 |
0.101 |
0 |
0 |
0 |
0.000 |
| 72 |
94 |
|
A |
3 |
2 |
6708 |
x |
[EU]A:202 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
216 |
7.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 73 |
95 |
|
[PDC]A:404 |
2 |
1 |
308 |
◊ |
[PDC]A:303 |
-x+1,y,-z |
2_655 |
3 |
1 |
307 |
7.3 |
0.3 |
0.174 |
0 |
0 |
0 |
0.000 |
96 |
|
[PDC]A:403 |
2 |
1 |
308 |
◊ |
[PDC]A:303 |
x,y,z |
1_555 |
3 |
1 |
307 |
7.0 |
0.3 |
0.181 |
0 |
0 |
0 |
0.000 |
| Average: |
7.2 |
0.3 |
0.178 |
0 |
0 |
0 |
0.000 |
| 74 |
97 |
|
[PDC]A:303 |
2 |
1 |
307 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
6708 |
7.2 |
0.1 |
0.310 |
0 |
0 |
0 |
0.000 |
| 75 |
98 |
|
[PDC]A:302 |
2 |
1 |
306 |
◊ |
[EU]A:205 |
x,y-1,z |
1_545 |
1 |
1 |
216 |
7.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 76 |
99 |
|
[PDC]A:604 |
3 |
1 |
306 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
6708 |
5.3 |
0.1 |
0.284 |
0 |
0 |
0 |
0.000 |
| 77 |
100 |
|
[PDC]A:602 |
1 |
1 |
308 |
f |
[EU]A:205 |
x,y-1,z |
1_545 |
1 |
1 |
216 |
5.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 78 |
101 |
|
[PDC]A:603 |
2 |
1 |
308 |
◊ |
[PDC]A:402 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
312 |
4.5 |
0.2 |
0.204 |
0 |
0 |
0 |
0.000 |
| 79 |
102 |
|
A |
1 |
1 |
6708 |
◊ |
[PDC]A:504 |
x,y-1,z |
1_545 |
1 |
1 |
307 |
3.6 |
-0.1 |
0.158 |
0 |
0 |
0 |
0.000 |
| 80 |
103 |
|
[PDC]A:603 |
2 |
1 |
308 |
◊ |
[PDC]A:402 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
312 |
3.4 |
0.2 |
0.204 |
0 |
0 |
0 |
0.000 |
| 81 |
104 |
|
[PDC]A:402 |
2 |
1 |
312 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
6708 |
2.3 |
0.0 |
0.285 |
0 |
0 |
0 |
0.000 |
| 82 |
105 |
|
A |
3 |
2 |
6708 |
◊ |
[PDC]A:402 |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
312 |
1.8 |
0.0 |
0.287 |
0 |
0 |
0 |
0.000 |
| 83 |
106 |
|
[PDC]A:404 |
1 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6708 |
1.6 |
0.1 |
0.364 |
0 |
0 |
0 |
0.000 |
107 |
|
[PDC]A:403 |
1 |
1 |
308 |
◊ |
A |
-x+1,y,-z |
2_655 |
1 |
1 |
6708 |
1.5 |
0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
| Average: |
1.6 |
0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
| 84 |
108 |
|
A |
1 |
1 |
6708 |
◊ |
[PDC]A:302 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
306 |
1.5 |
-0.1 |
0.256 |
0 |
0 |
0 |
0.000 |
| 85 |
109 |
|
[PDC]A:302 |
2 |
1 |
306 |
◊ |
[PDC]A:702 |
x,y-1,z |
1_545 |
1 |
1 |
304 |
1.4 |
0.0 |
0.152 |
0 |
0 |
0 |
0.000 |
| 86 |
110 |
|
A |
1 |
1 |
6708 |
◊ |
[PDC]A:503 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
305 |
0.5 |
0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
|