| ## |
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 |
236 |
72 |
15744 |
◊ |
C |
x,y,z |
1_555 |
226 |
61 |
15741 |
2368.3 |
-32.3 |
0.151 |
34 |
5 |
0 |
0.768 |
2 |
|
B |
242 |
73 |
15639 |
◊ |
A |
x,y,z |
1_555 |
220 |
60 |
15873 |
2366.5 |
-32.7 |
0.154 |
33 |
6 |
0 |
0.768 |
3 |
|
J |
244 |
75 |
15767 |
◊ |
I |
x,y,z |
1_555 |
221 |
60 |
15597 |
2364.6 |
-32.8 |
0.140 |
33 |
5 |
0 |
0.768 |
4 |
|
I |
240 |
73 |
15597 |
◊ |
H |
x,y,z |
1_555 |
221 |
59 |
15862 |
2363.0 |
-32.0 |
0.158 |
34 |
6 |
0 |
0.768 |
5 |
|
C |
240 |
72 |
15741 |
◊ |
B |
x,y,z |
1_555 |
223 |
60 |
15639 |
2362.2 |
-32.1 |
0.163 |
32 |
5 |
0 |
0.768 |
6 |
|
E |
220 |
60 |
15857 |
◊ |
A |
x,y,z |
1_555 |
241 |
72 |
15873 |
2359.1 |
-31.0 |
0.186 |
34 |
6 |
0 |
0.768 |
7 |
|
H |
242 |
73 |
15862 |
◊ |
G |
x,y,z |
1_555 |
223 |
61 |
15675 |
2358.5 |
-32.1 |
0.186 |
32 |
4 |
0 |
0.768 |
8 |
|
E |
237 |
73 |
15857 |
◊ |
D |
x,y,z |
1_555 |
220 |
61 |
15744 |
2355.3 |
-32.3 |
0.145 |
35 |
6 |
0 |
0.768 |
9 |
|
G |
242 |
73 |
15675 |
◊ |
F |
x,y,z |
1_555 |
216 |
59 |
15769 |
2352.1 |
-31.5 |
0.186 |
34 |
4 |
0 |
0.768 |
10 |
|
J |
222 |
60 |
15767 |
◊ |
F |
x,y,z |
1_555 |
236 |
71 |
15769 |
2349.9 |
-33.1 |
0.126 |
32 |
4 |
0 |
0.768 |
| Average: |
2360.0 |
-32.2 |
0.159 |
33 |
5 |
0 |
0.768 |
| 2 |
11 |
|
I |
79 |
15 |
15597 |
◊ |
B |
x,y,z |
1_555 |
79 |
15 |
15639 |
751.4 |
-9.3 |
0.388 |
14 |
0 |
0 |
0.413 |
12 |
|
G |
77 |
16 |
15675 |
◊ |
D |
x,y,z |
1_555 |
79 |
16 |
15744 |
731.8 |
-9.7 |
0.363 |
16 |
0 |
0 |
0.413 |
13 |
|
J |
76 |
15 |
15767 |
◊ |
A |
x,y,z |
1_555 |
80 |
16 |
15873 |
728.8 |
-10.2 |
0.321 |
15 |
0 |
0 |
0.413 |
14 |
|
F |
75 |
15 |
15769 |
◊ |
E |
x,y,z |
1_555 |
79 |
15 |
15857 |
726.3 |
-10.6 |
0.285 |
15 |
0 |
0 |
0.413 |
15 |
|
H |
79 |
15 |
15862 |
◊ |
C |
x,y,z |
1_555 |
77 |
15 |
15741 |
720.3 |
-10.2 |
0.324 |
14 |
0 |
0 |
0.413 |
| Average: |
731.7 |
-10.0 |
0.336 |
15 |
0 |
0 |
0.413 |
| 3 |
16 |
|
H |
43 |
13 |
15862 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
49 |
15 |
15639 |
442.9 |
-7.9 |
0.173 |
3 |
0 |
0 |
0.000 |
17 |
|
G |
35 |
13 |
15675 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
44 |
13 |
15741 |
395.6 |
-6.7 |
0.196 |
2 |
1 |
0 |
0.000 |
| Average: |
419.2 |
-7.3 |
0.185 |
3 |
1 |
0 |
0.000 |
| 4 |
18 |
|
E |
31 |
9 |
15857 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
41 |
13 |
15639 |
345.8 |
-1.6 |
0.635 |
2 |
0 |
0 |
0.000 |
19 |
|
A |
29 |
8 |
15873 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
40 |
13 |
15741 |
331.7 |
-1.7 |
0.581 |
2 |
0 |
0 |
0.000 |
| Average: |
338.8 |
-1.6 |
0.608 |
2 |
0 |
0 |
0.000 |
| 5 |
20 |
|
I |
33 |
12 |
15597 |
◊ |
C |
x,y,z |
1_555 |
36 |
14 |
15741 |
309.1 |
-4.1 |
0.395 |
0 |
0 |
0 |
0.028 |
21 |
|
J |
36 |
14 |
15767 |
◊ |
B |
x,y,z |
1_555 |
35 |
13 |
15639 |
306.4 |
-4.0 |
0.438 |
0 |
0 |
0 |
0.028 |
22 |
|
H |
38 |
14 |
15862 |
◊ |
D |
x,y,z |
1_555 |
34 |
13 |
15744 |
304.3 |
-4.1 |
0.410 |
0 |
0 |
0 |
0.028 |
23 |
|
F |
35 |
13 |
15769 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
15873 |
299.1 |
-4.0 |
0.404 |
0 |
0 |
0 |
0.028 |
24 |
|
G |
35 |
13 |
15675 |
◊ |
E |
x,y,z |
1_555 |
33 |
13 |
15857 |
295.7 |
-4.3 |
0.374 |
0 |
0 |
0 |
0.028 |
| Average: |
302.9 |
-4.1 |
0.404 |
0 |
0 |
0 |
0.028 |
| 6 |
25 |
|
J |
34 |
14 |
15767 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
32 |
11 |
15769 |
286.2 |
3.0 |
0.922 |
3 |
0 |
0 |
0.000 |
| 7 |
26 |
|
[SIA]H:407 |
16 |
1 |
439 |
f |
H |
x,y,z |
1_555 |
29 |
11 |
15862 |
225.9 |
-2.0 |
0.374 |
4 |
0 |
0 |
0.195 |
27 |
|
[SIA]I:406 |
16 |
1 |
442 |
f |
I |
x,y,z |
1_555 |
30 |
12 |
15597 |
222.1 |
-2.5 |
0.348 |
5 |
0 |
0 |
0.195 |
28 |
|
[SIA]J:408 |
15 |
1 |
443 |
f |
J |
x,y,z |
1_555 |
31 |
12 |
15767 |
220.5 |
-1.8 |
0.387 |
4 |
0 |
0 |
0.195 |
29 |
|
[SIA]E:408 |
16 |
1 |
439 |
f |
E |
x,y,z |
1_555 |
31 |
12 |
15857 |
220.2 |
-2.0 |
0.392 |
5 |
0 |
0 |
0.195 |
30 |
|
[SIA]B:410 |
16 |
1 |
451 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
15639 |
219.5 |
-1.9 |
0.420 |
4 |
0 |
0 |
0.195 |
31 |
|
[SIA]D:406 |
15 |
1 |
446 |
f |
D |
x,y,z |
1_555 |
30 |
12 |
15744 |
216.9 |
-2.0 |
0.391 |
4 |
0 |
0 |
0.195 |
32 |
|
[SIA]G:406 |
15 |
1 |
444 |
f |
G |
x,y,z |
1_555 |
30 |
12 |
15675 |
215.4 |
-1.9 |
0.392 |
4 |
0 |
0 |
0.195 |
33 |
|
[SIA]C:407 |
15 |
1 |
451 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
15741 |
214.1 |
-2.1 |
0.407 |
5 |
0 |
0 |
0.195 |
34 |
|
[SIA]A:409 |
16 |
1 |
445 |
f |
A |
x,y,z |
1_555 |
31 |
12 |
15873 |
213.7 |
-2.0 |
0.399 |
5 |
0 |
0 |
0.195 |
| Average: |
218.7 |
-2.0 |
0.390 |
4 |
0 |
0 |
0.195 |
| 8 |
35 |
|
H |
13 |
5 |
15862 |
◊ |
H |
-x,y,-z |
2_555 |
13 |
5 |
15862 |
156.4 |
-0.8 |
0.601 |
3 |
0 |
0 |
0.000 |
| 9 |
36 |
|
A |
15 |
4 |
15873 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
15 |
4 |
15873 |
132.9 |
-0.2 |
0.718 |
2 |
0 |
0 |
0.000 |
37 |
|
E |
16 |
4 |
15857 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
10 |
3 |
15639 |
107.7 |
-1.0 |
0.544 |
1 |
0 |
0 |
0.000 |
38 |
|
D |
13 |
4 |
15744 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
11 |
4 |
15741 |
103.3 |
-1.0 |
0.547 |
2 |
0 |
0 |
0.000 |
| Average: |
114.6 |
-0.8 |
0.603 |
2 |
0 |
0 |
0.000 |
| 10 |
39 |
|
[EDO]I:403 |
4 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
17 |
6 |
15597 |
113.4 |
2.5 |
0.436 |
3 |
0 |
0 |
0.000 |
40 |
|
[EDO]J:404 |
4 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
16 |
6 |
15767 |
108.2 |
2.6 |
0.453 |
3 |
0 |
0 |
0.000 |
| Average: |
110.8 |
2.5 |
0.445 |
3 |
0 |
0 |
0.000 |
| 11 |
41 |
|
[EDO]D:403 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
15744 |
113.0 |
2.6 |
0.452 |
3 |
0 |
0 |
0.000 |
| 12 |
42 |
|
[EDO]C:405 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
15741 |
111.6 |
2.6 |
0.463 |
3 |
0 |
0 |
0.000 |
| 13 |
43 |
|
[EDO]B:407 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
15639 |
111.6 |
2.5 |
0.445 |
3 |
0 |
0 |
0.000 |
| 14 |
44 |
|
[EDO]C:403 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
15741 |
106.4 |
4.0 |
0.743 |
4 |
0 |
0 |
0.000 |
| 15 |
45 |
|
[EDO]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15873 |
105.5 |
4.0 |
0.743 |
5 |
0 |
0 |
0.000 |
46 |
|
[EDO]E:403 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
15857 |
104.0 |
3.9 |
0.521 |
5 |
0 |
0 |
0.000 |
| Average: |
104.7 |
3.9 |
0.632 |
5 |
0 |
0 |
0.000 |
| 16 |
47 |
|
[EDO]J:403 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
15 |
7 |
15767 |
105.1 |
4.0 |
0.744 |
5 |
0 |
0 |
0.000 |
| 17 |
48 |
|
F |
14 |
4 |
15769 |
◊ |
F |
-x,y,-z |
2_555 |
14 |
4 |
15769 |
104.8 |
-0.3 |
0.692 |
4 |
0 |
0 |
0.000 |
| 18 |
49 |
|
[EDO]J:405 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
17 |
9 |
15767 |
104.2 |
3.1 |
0.696 |
4 |
0 |
0 |
0.000 |
| 19 |
50 |
|
[EDO]B:403 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
15639 |
104.0 |
4.0 |
0.755 |
4 |
0 |
0 |
0.000 |
| 20 |
51 |
|
[IPA]A:408 |
4 |
1 |
199 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
15873 |
104.0 |
3.7 |
0.496 |
1 |
0 |
0 |
0.000 |
52 |
|
[IPA]B:409 |
4 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
15639 |
100.7 |
3.3 |
0.455 |
0 |
0 |
0 |
0.000 |
53 |
|
[IPA]J:407 |
4 |
1 |
198 |
◊ |
J |
x,y,z |
1_555 |
17 |
7 |
15767 |
100.1 |
3.2 |
0.455 |
0 |
0 |
0 |
0.000 |
54 |
|
[IPA]D:405 |
4 |
1 |
199 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
15744 |
99.7 |
3.3 |
0.452 |
0 |
0 |
0 |
0.000 |
55 |
|
[IPA]I:405 |
4 |
1 |
197 |
◊ |
I |
x,y,z |
1_555 |
16 |
7 |
15597 |
98.8 |
3.2 |
0.449 |
0 |
0 |
0 |
0.000 |
| Average: |
100.6 |
3.4 |
0.461 |
0 |
0 |
0 |
0.000 |
| 21 |
56 |
|
[IPA]C:406 |
4 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
15741 |
100.7 |
3.3 |
0.449 |
0 |
0 |
0 |
0.000 |
57 |
|
[IPA]H:406 |
4 |
1 |
197 |
◊ |
H |
x,y,z |
1_555 |
17 |
7 |
15862 |
100.3 |
3.4 |
0.460 |
0 |
0 |
0 |
0.000 |
58 |
|
[IPA]E:407 |
4 |
1 |
198 |
◊ |
E |
x,y,z |
1_555 |
17 |
7 |
15857 |
99.8 |
3.3 |
0.456 |
0 |
0 |
0 |
0.000 |
| Average: |
100.3 |
3.3 |
0.455 |
0 |
0 |
0 |
0.000 |
| 22 |
59 |
|
[IPA]G:405 |
4 |
1 |
198 |
◊ |
G |
x,y,z |
1_555 |
17 |
7 |
15675 |
100.6 |
3.5 |
0.467 |
0 |
0 |
0 |
0.000 |
| 23 |
60 |
|
[IPA]F:404 |
4 |
1 |
197 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
15769 |
100.4 |
3.3 |
0.447 |
0 |
0 |
0 |
0.000 |
| 24 |
61 |
|
[EDO]G:404 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
16 |
8 |
15675 |
99.8 |
3.2 |
0.515 |
3 |
0 |
0 |
0.000 |
| 25 |
62 |
|
[EDO]F:403 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
15 |
8 |
15769 |
99.8 |
3.2 |
0.502 |
3 |
0 |
0 |
0.000 |
| 26 |
63 |
|
[EDO]E:406 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
15 |
7 |
15857 |
99.0 |
3.3 |
0.512 |
5 |
0 |
0 |
0.000 |
64 |
|
[EDO]B:405 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
15639 |
98.9 |
3.3 |
0.515 |
4 |
0 |
0 |
0.000 |
| Average: |
98.9 |
3.3 |
0.514 |
5 |
0 |
0 |
0.000 |
| 27 |
65 |
|
[EDO]A:405 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
15873 |
98.8 |
3.5 |
0.535 |
6 |
0 |
0 |
0.000 |
| 28 |
66 |
|
[EDO]H:405 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
14 |
7 |
15862 |
98.2 |
3.3 |
0.510 |
6 |
0 |
0 |
0.000 |
| 29 |
67 |
|
[EDO]E:405 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
14 |
7 |
15857 |
94.7 |
2.8 |
0.309 |
0 |
0 |
0 |
0.000 |
| 30 |
68 |
|
J |
8 |
5 |
15767 |
◊ |
F |
-x,y,-z |
2_555 |
10 |
4 |
15769 |
94.0 |
0.4 |
0.762 |
2 |
0 |
0 |
0.000 |
| 31 |
69 |
|
[EDO]D:404 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
15744 |
92.9 |
2.7 |
0.309 |
1 |
0 |
0 |
0.000 |
70 |
|
[EDO]J:406 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
13 |
7 |
15767 |
92.3 |
2.7 |
0.311 |
2 |
0 |
0 |
0.000 |
71 |
|
[EDO]G:403 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
15 |
7 |
15675 |
92.3 |
2.7 |
0.312 |
1 |
0 |
0 |
0.000 |
72 |
|
[EDO]I:404 |
4 |
1 |
183 |
◊ |
I |
x,y,z |
1_555 |
15 |
7 |
15597 |
91.9 |
2.8 |
0.309 |
1 |
0 |
0 |
0.000 |
| Average: |
92.4 |
2.7 |
0.310 |
1 |
0 |
0 |
0.000 |
| 32 |
73 |
|
[EDO]B:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
15639 |
92.4 |
3.5 |
0.337 |
5 |
0 |
0 |
0.000 |
| 33 |
74 |
|
[EDO]H:403 |
4 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
14 |
7 |
15862 |
91.6 |
2.6 |
0.309 |
1 |
0 |
0 |
0.000 |
| 34 |
75 |
|
[EDO]C:404 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
15741 |
91.4 |
3.5 |
0.335 |
5 |
0 |
0 |
0.000 |
| 35 |
76 |
|
[EDO]A:406 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
15873 |
89.9 |
2.1 |
0.300 |
0 |
0 |
0 |
0.000 |
| 36 |
77 |
|
[SIA]H:407 |
8 |
1 |
439 |
◊ |
I |
x,y,z |
1_555 |
13 |
5 |
15597 |
87.5 |
0.9 |
0.562 |
0 |
0 |
0 |
0.000 |
78 |
|
[SIA]G:406 |
8 |
1 |
444 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
15862 |
83.7 |
0.9 |
0.566 |
0 |
0 |
0 |
0.000 |
79 |
|
[SIA]A:409 |
8 |
1 |
445 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
15639 |
83.5 |
0.8 |
0.574 |
0 |
0 |
0 |
0.000 |
80 |
|
[SIA]B:410 |
8 |
1 |
451 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
15741 |
83.4 |
0.8 |
0.572 |
0 |
0 |
0 |
0.000 |
81 |
|
[SIA]I:406 |
8 |
1 |
442 |
◊ |
J |
x,y,z |
1_555 |
13 |
5 |
15767 |
82.8 |
0.9 |
0.564 |
0 |
0 |
0 |
0.000 |
82 |
|
[SIA]D:406 |
8 |
1 |
446 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
15857 |
82.8 |
0.7 |
0.549 |
0 |
0 |
0 |
0.000 |
83 |
|
[SIA]E:408 |
8 |
1 |
439 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
15873 |
82.4 |
0.8 |
0.559 |
0 |
0 |
0 |
0.000 |
84 |
|
[SIA]C:407 |
9 |
1 |
451 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
15744 |
81.9 |
0.8 |
0.564 |
0 |
0 |
0 |
0.000 |
85 |
|
[SIA]J:408 |
8 |
1 |
443 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
15769 |
78.5 |
0.8 |
0.542 |
0 |
0 |
0 |
0.000 |
| Average: |
82.9 |
0.8 |
0.561 |
0 |
0 |
0 |
0.000 |
| 37 |
86 |
|
[EDO]A:404 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
15873 |
80.3 |
2.4 |
0.305 |
2 |
0 |
0 |
0.000 |
| 38 |
87 |
|
[CL]J:402 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
15 |
7 |
15767 |
80.2 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.550 |
88 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
15744 |
80.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.550 |
89 |
|
[CL]I:402 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
15 |
7 |
15597 |
79.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.550 |
90 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
15741 |
79.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.550 |
91 |
|
[CL]E:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
15857 |
78.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.550 |
92 |
|
[CL]H:402 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
15 |
7 |
15862 |
77.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.550 |
93 |
|
[CL]G:402 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
15675 |
77.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.550 |
94 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15639 |
76.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.550 |
95 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15873 |
73.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.550 |
96 |
|
[CL]F:402 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
15769 |
71.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.550 |
| Average: |
77.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.550 |
| 39 |
97 |
|
E |
10 |
4 |
15857 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
15873 |
78.1 |
0.5 |
0.801 |
0 |
0 |
0 |
0.000 |
| 40 |
98 |
|
C |
8 |
3 |
15741 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
8 |
3 |
15741 |
78.1 |
0.6 |
0.808 |
5 |
0 |
0 |
0.000 |
99 |
|
D |
7 |
3 |
15744 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
8 |
3 |
15639 |
77.7 |
0.6 |
0.813 |
5 |
0 |
0 |
0.000 |
100 |
|
E |
7 |
3 |
15857 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
8 |
3 |
15873 |
76.7 |
0.0 |
0.704 |
2 |
0 |
0 |
0.000 |
| Average: |
77.5 |
0.4 |
0.775 |
4 |
0 |
0 |
0.000 |
| 41 |
101 |
|
[EDO]H:404 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
15862 |
75.9 |
2.9 |
0.335 |
2 |
0 |
0 |
0.000 |
| 42 |
102 |
|
[GAL]H:408 |
8 |
1 |
303 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
15597 |
75.7 |
-0.1 |
0.201 |
2 |
0 |
0 |
0.013 |
103 |
|
[GAL]D:407 |
7 |
1 |
303 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
15857 |
71.1 |
0.0 |
0.174 |
2 |
0 |
0 |
0.013 |
104 |
|
[GAL]B:411 |
6 |
1 |
305 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
15741 |
70.5 |
0.0 |
0.257 |
2 |
0 |
0 |
0.013 |
105 |
|
[GAL]A:410 |
6 |
1 |
303 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
15639 |
70.1 |
0.0 |
0.215 |
2 |
0 |
0 |
0.013 |
106 |
|
[GAL]E:409 |
6 |
1 |
304 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15873 |
70.0 |
0.0 |
0.233 |
2 |
0 |
0 |
0.013 |
107 |
|
[GAL]C:408 |
7 |
1 |
305 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
15744 |
69.9 |
0.1 |
0.181 |
2 |
0 |
0 |
0.013 |
108 |
|
[GAL]G:407 |
7 |
1 |
302 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
15862 |
67.5 |
-0.0 |
0.175 |
2 |
0 |
0 |
0.013 |
109 |
|
[GAL]I:408 |
7 |
1 |
293 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
15767 |
63.5 |
0.4 |
0.198 |
2 |
0 |
0 |
0.013 |
110 |
|
[GAL]J:410 |
7 |
1 |
290 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
15769 |
60.7 |
0.4 |
0.244 |
2 |
0 |
0 |
0.013 |
| Average: |
68.8 |
0.1 |
0.209 |
2 |
0 |
0 |
0.013 |
| 43 |
111 |
|
[EDO]A:407 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
15873 |
73.7 |
2.2 |
0.248 |
0 |
0 |
0 |
0.000 |
| 44 |
112 |
|
[EDO]E:404 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
15857 |
73.1 |
2.3 |
0.303 |
0 |
0 |
0 |
0.000 |
| 45 |
113 |
|
[EDO]B:406 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
15741 |
72.8 |
2.2 |
0.891 |
1 |
0 |
0 |
0.000 |
| 46 |
114 |
|
F |
8 |
3 |
15769 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
15639 |
70.4 |
-0.2 |
0.673 |
2 |
0 |
0 |
0.005 |
115 |
|
J |
7 |
3 |
15767 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
15741 |
60.9 |
0.2 |
0.743 |
2 |
0 |
0 |
0.005 |
116 |
|
G |
7 |
3 |
15675 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15873 |
58.1 |
-0.8 |
0.434 |
1 |
0 |
0 |
0.005 |
117 |
|
H |
5 |
2 |
15862 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
15857 |
43.5 |
-0.9 |
0.352 |
0 |
0 |
0 |
0.005 |
118 |
|
I |
5 |
2 |
15597 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
15744 |
37.0 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.005 |
| Average: |
54.0 |
-0.3 |
0.571 |
1 |
0 |
0 |
0.005 |
| 47 |
119 |
|
[EDO]B:408 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
15639 |
68.2 |
1.5 |
0.262 |
0 |
0 |
0 |
0.000 |
| 48 |
120 |
|
[GAL]B:411 |
7 |
1 |
305 |
cf |
[SIA]B:410 |
x,y,z |
1_555 |
8 |
1 |
451 |
65.2 |
1.8 |
0.332 |
0 |
0 |
0 |
0.000 |
121 |
|
[GAL]I:408 |
7 |
1 |
293 |
cf |
[SIA]I:406 |
x,y,z |
1_555 |
8 |
1 |
442 |
64.7 |
2.0 |
0.299 |
0 |
0 |
0 |
0.000 |
122 |
|
[GAL]E:409 |
7 |
1 |
304 |
cf |
[SIA]E:408 |
x,y,z |
1_555 |
8 |
1 |
439 |
64.6 |
1.9 |
0.333 |
0 |
0 |
0 |
0.000 |
123 |
|
[GAL]D:407 |
7 |
1 |
303 |
cf |
[SIA]D:406 |
x,y,z |
1_555 |
8 |
1 |
446 |
64.4 |
1.9 |
0.330 |
0 |
0 |
0 |
0.000 |
124 |
|
[GAL]C:408 |
7 |
1 |
305 |
cf |
[SIA]C:407 |
x,y,z |
1_555 |
8 |
1 |
451 |
64.4 |
1.9 |
0.324 |
0 |
0 |
0 |
0.000 |
125 |
|
[GAL]J:410 |
7 |
1 |
290 |
cf |
[SIA]J:408 |
x,y,z |
1_555 |
8 |
1 |
443 |
64.1 |
2.0 |
0.296 |
0 |
0 |
0 |
0.000 |
126 |
|
[GAL]A:410 |
7 |
1 |
303 |
cf |
[SIA]A:409 |
x,y,z |
1_555 |
8 |
1 |
445 |
63.8 |
1.9 |
0.322 |
0 |
0 |
0 |
0.000 |
127 |
|
[GAL]H:408 |
7 |
1 |
303 |
cf |
[SIA]H:407 |
x,y,z |
1_555 |
9 |
1 |
439 |
63.1 |
1.9 |
0.338 |
0 |
0 |
0 |
0.000 |
| Average: |
64.3 |
1.9 |
0.322 |
0 |
0 |
0 |
0.000 |
| 49 |
128 |
|
[GAL]G:407 |
8 |
1 |
302 |
cf |
[SIA]G:406 |
x,y,z |
1_555 |
8 |
1 |
444 |
65.1 |
2.1 |
0.311 |
0 |
0 |
0 |
0.000 |
| 50 |
129 |
|
[BGC]I:407 |
5 |
1 |
305 |
cf |
[GAL]I:408 |
x,y,z |
1_555 |
6 |
1 |
293 |
60.6 |
1.0 |
0.116 |
0 |
0 |
0 |
0.000 |
130 |
|
[BGC]J:409 |
5 |
1 |
305 |
cf |
[GAL]J:410 |
x,y,z |
1_555 |
6 |
1 |
290 |
58.6 |
0.9 |
0.131 |
0 |
0 |
0 |
0.000 |
| Average: |
59.6 |
0.9 |
0.123 |
0 |
0 |
0 |
0.000 |
| 51 |
131 |
|
[GAL]I:408 |
6 |
1 |
293 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
15597 |
60.2 |
0.0 |
0.232 |
0 |
0 |
0 |
0.000 |
132 |
|
[GAL]D:407 |
6 |
1 |
303 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
15744 |
59.4 |
0.1 |
0.240 |
0 |
0 |
0 |
0.000 |
133 |
|
[GAL]E:409 |
6 |
1 |
304 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
15857 |
59.1 |
0.0 |
0.237 |
0 |
0 |
0 |
0.000 |
134 |
|
[GAL]J:410 |
6 |
1 |
290 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
15767 |
54.9 |
0.0 |
0.233 |
0 |
0 |
0 |
0.000 |
135 |
|
[GAL]H:408 |
5 |
1 |
303 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
15862 |
54.0 |
-0.0 |
0.257 |
0 |
0 |
0 |
0.000 |
136 |
|
[GAL]C:408 |
6 |
1 |
305 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
15741 |
52.7 |
0.1 |
0.242 |
0 |
0 |
0 |
0.000 |
137 |
|
[GAL]A:410 |
6 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15873 |
52.7 |
0.1 |
0.243 |
0 |
0 |
0 |
0.000 |
138 |
|
[GAL]B:411 |
6 |
1 |
305 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15639 |
51.5 |
0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
139 |
|
[GAL]G:407 |
6 |
1 |
302 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
15675 |
45.5 |
0.1 |
0.264 |
0 |
0 |
0 |
0.000 |
| Average: |
54.4 |
0.1 |
0.246 |
0 |
0 |
0 |
0.000 |
| 52 |
140 |
|
G |
6 |
2 |
15675 |
◊ |
J |
x-1/2,y+1/2,z |
3_455 |
6 |
2 |
15767 |
57.4 |
0.8 |
0.686 |
1 |
1 |
0 |
0.000 |
141 |
|
H |
6 |
2 |
15862 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
5 |
2 |
15769 |
53.2 |
0.4 |
0.602 |
0 |
0 |
0 |
0.000 |
| Average: |
55.3 |
0.6 |
0.644 |
1 |
1 |
0 |
0.000 |
| 53 |
142 |
|
I |
9 |
5 |
15597 |
◊ |
G |
-x,y,-z |
2_555 |
8 |
3 |
15675 |
54.1 |
-0.3 |
0.640 |
0 |
0 |
0 |
0.000 |
| 54 |
143 |
|
[EDO]H:404 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
15675 |
51.0 |
0.9 |
0.580 |
0 |
0 |
0 |
0.000 |
| 55 |
144 |
|
I |
5 |
2 |
15597 |
◊ |
H |
-x,y,-z |
2_555 |
5 |
1 |
15862 |
48.5 |
-0.6 |
0.436 |
0 |
0 |
0 |
0.000 |
| 56 |
145 |
|
[EDO]B:406 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
15639 |
47.8 |
1.1 |
0.646 |
0 |
0 |
0 |
0.000 |
| 57 |
146 |
|
[BGC]I:407 |
5 |
1 |
305 |
◊ |
J |
x,y,z |
1_555 |
7 |
4 |
15767 |
47.1 |
-0.5 |
0.204 |
0 |
0 |
0 |
0.003 |
147 |
|
[BGC]J:409 |
5 |
1 |
305 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
15769 |
46.7 |
-0.5 |
0.214 |
0 |
0 |
0 |
0.003 |
| Average: |
46.9 |
-0.5 |
0.209 |
0 |
0 |
0 |
0.003 |
| 58 |
148 |
|
I |
5 |
1 |
15597 |
◊ |
I |
-x,y,-z |
2_555 |
5 |
1 |
15597 |
45.2 |
-1.4 |
0.227 |
0 |
0 |
0 |
0.000 |
| 59 |
149 |
|
[EDO]B:406 |
4 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
6 |
3 |
15597 |
43.7 |
1.0 |
0.714 |
0 |
0 |
0 |
0.000 |
| 60 |
150 |
|
I |
4 |
2 |
15597 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
15769 |
39.1 |
0.3 |
0.757 |
1 |
2 |
0 |
0.000 |
| 61 |
151 |
|
[EDO]E:404 |
2 |
1 |
184 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
15873 |
38.8 |
1.5 |
0.676 |
1 |
0 |
0 |
0.000 |
| 62 |
152 |
|
[EDO]H:404 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
15744 |
38.3 |
0.5 |
0.666 |
1 |
0 |
0 |
0.000 |
| 63 |
153 |
|
[EDO]E:406 |
3 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
15675 |
36.5 |
0.4 |
0.438 |
0 |
0 |
0 |
0.000 |
| 64 |
154 |
|
[EDO]H:405 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
15744 |
35.8 |
0.6 |
0.259 |
0 |
0 |
0 |
0.000 |
| 65 |
155 |
|
[EDO]B:405 |
3 |
1 |
183 |
f |
J |
x,y,z |
1_555 |
3 |
1 |
15767 |
35.5 |
0.4 |
0.443 |
0 |
0 |
0 |
0.000 |
156 |
|
[EDO]G:404 |
3 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
15857 |
34.4 |
0.5 |
0.532 |
0 |
0 |
0 |
0.000 |
| Average: |
35.0 |
0.4 |
0.487 |
0 |
0 |
0 |
0.000 |
| 66 |
157 |
|
[EDO]J:405 |
4 |
1 |
184 |
f |
[EDO]J:404 |
x,y,z |
1_555 |
4 |
1 |
185 |
35.4 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 67 |
158 |
|
[EDO]F:403 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
15873 |
34.7 |
0.4 |
0.439 |
0 |
0 |
0 |
0.000 |
| 68 |
159 |
|
E |
3 |
1 |
15857 |
f |
[EDO]B:404 |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
185 |
32.6 |
0.4 |
0.474 |
0 |
0 |
0 |
0.000 |
| 69 |
160 |
|
A |
3 |
1 |
15873 |
f |
[EDO]C:404 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
184 |
32.2 |
0.4 |
0.475 |
0 |
0 |
0 |
0.000 |
| 70 |
161 |
|
[CA]H:401 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
4 |
2 |
15597 |
31.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.264 |
162 |
|
[CA]J:401 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
15769 |
31.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.264 |
163 |
|
[CA]E:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
15873 |
31.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.264 |
164 |
|
[CA]C:401 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
15744 |
31.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.264 |
165 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
15741 |
31.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.264 |
166 |
|
[CA]I:401 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
4 |
2 |
15767 |
31.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.264 |
167 |
|
[CA]G:401 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
5 |
3 |
15862 |
30.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.264 |
168 |
|
[CA]D:401 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
15857 |
30.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.264 |
169 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
15639 |
30.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.264 |
170 |
|
[CA]F:401 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
4 |
2 |
15675 |
30.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.264 |
| Average: |
31.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.264 |
| 71 |
171 |
|
J |
6 |
3 |
15767 |
◊ |
G |
-x,y,-z |
2_555 |
5 |
4 |
15675 |
31.5 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
| 72 |
172 |
|
[CA]A:401 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15873 |
30.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.081 |
173 |
|
[CA]F:401 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
15769 |
30.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.081 |
174 |
|
[CA]D:401 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15744 |
30.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.081 |
175 |
|
[CA]I:401 |
1 |
1 |
85 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
15597 |
29.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.081 |
176 |
|
[CA]C:401 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
15741 |
29.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.081 |
177 |
|
[CA]J:401 |
1 |
1 |
85 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
15767 |
29.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.081 |
178 |
|
[CA]G:401 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
15675 |
29.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.081 |
179 |
|
[CA]H:401 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
15862 |
29.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.081 |
180 |
|
[CA]B:401 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15639 |
29.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.081 |
181 |
|
[CA]E:401 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
15857 |
28.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
29.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.081 |
| 73 |
182 |
|
[GAL]D:407 |
3 |
1 |
303 |
◊ |
[GAL]C:408 |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
305 |
29.0 |
1.5 |
0.354 |
0 |
0 |
0 |
0.000 |
183 |
|
[GAL]A:410 |
3 |
1 |
303 |
◊ |
[GAL]A:410 |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
303 |
26.4 |
1.4 |
0.334 |
0 |
0 |
0 |
0.000 |
184 |
|
[GAL]E:409 |
3 |
1 |
304 |
◊ |
[GAL]B:411 |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
305 |
26.0 |
1.4 |
0.354 |
0 |
0 |
0 |
0.000 |
| Average: |
27.1 |
1.5 |
0.347 |
0 |
0 |
0 |
0.000 |
| 74 |
185 |
|
[IPA]G:405 |
2 |
1 |
198 |
f |
[EDO]G:403 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.5 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 75 |
186 |
|
[IPA]A:408 |
3 |
1 |
199 |
f |
[EDO]A:407 |
x,y,z |
1_555 |
2 |
1 |
183 |
28.5 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 76 |
187 |
|
E |
3 |
1 |
15857 |
f |
[EDO]A:404 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
185 |
28.4 |
0.8 |
0.920 |
1 |
0 |
0 |
0.000 |
| 77 |
188 |
|
[EDO]A:405 |
2 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
15769 |
27.5 |
0.4 |
0.432 |
0 |
0 |
0 |
0.000 |
| 78 |
189 |
|
[IPA]H:406 |
2 |
1 |
197 |
f |
[EDO]H:403 |
x,y,z |
1_555 |
3 |
1 |
183 |
26.7 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 79 |
190 |
|
[IPA]I:405 |
3 |
1 |
197 |
f |
[EDO]I:404 |
x,y,z |
1_555 |
3 |
1 |
183 |
26.3 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
191 |
|
[IPA]J:407 |
3 |
1 |
198 |
f |
[EDO]J:406 |
x,y,z |
1_555 |
3 |
1 |
184 |
25.6 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
192 |
|
[IPA]D:405 |
3 |
1 |
199 |
f |
[EDO]D:404 |
x,y,z |
1_555 |
3 |
1 |
184 |
24.7 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| Average: |
25.5 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 80 |
193 |
|
[IPA]E:407 |
2 |
1 |
198 |
f |
[EDO]E:405 |
x,y,z |
1_555 |
2 |
1 |
183 |
25.1 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 81 |
194 |
|
I |
3 |
1 |
15597 |
◊ |
J |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
15767 |
23.8 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
| 82 |
195 |
|
[GAL]G:407 |
3 |
1 |
302 |
◊ |
I |
-x,y,-z |
2_555 |
2 |
2 |
15597 |
21.5 |
0.8 |
0.553 |
0 |
0 |
0 |
0.000 |
| 83 |
196 |
|
[BGC]I:407 |
4 |
1 |
305 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
15769 |
16.8 |
0.8 |
0.354 |
0 |
0 |
0 |
0.000 |
| 84 |
197 |
|
[GAL]B:411 |
2 |
1 |
305 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
15857 |
16.2 |
0.0 |
0.290 |
0 |
0 |
0 |
0.000 |
198 |
|
[GAL]C:408 |
2 |
1 |
305 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
15744 |
15.8 |
0.0 |
0.300 |
0 |
0 |
0 |
0.000 |
199 |
|
[GAL]D:407 |
2 |
1 |
303 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
15741 |
9.9 |
-0.0 |
0.327 |
0 |
0 |
0 |
0.000 |
200 |
|
[GAL]A:410 |
2 |
1 |
303 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
15873 |
9.4 |
-0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
201 |
|
[GAL]E:409 |
2 |
1 |
304 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
15639 |
7.4 |
-0.0 |
0.354 |
0 |
0 |
0 |
0.000 |
| Average: |
11.7 |
-0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
| 85 |
202 |
|
[IPA]D:405 |
1 |
1 |
199 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
15741 |
15.2 |
0.7 |
0.622 |
0 |
0 |
0 |
0.000 |
203 |
|
[IPA]B:409 |
1 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
15873 |
6.9 |
0.2 |
0.749 |
0 |
0 |
0 |
0.000 |
204 |
|
[IPA]J:407 |
1 |
1 |
198 |
f |
I |
x,y,z |
1_555 |
1 |
1 |
15597 |
5.3 |
0.3 |
0.899 |
0 |
0 |
0 |
0.000 |
| Average: |
9.1 |
0.4 |
0.757 |
0 |
0 |
0 |
0.000 |
| 86 |
205 |
|
[IPA]I:405 |
1 |
1 |
197 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
15862 |
14.5 |
0.7 |
0.641 |
0 |
0 |
0 |
0.000 |
| 87 |
206 |
|
[IPA]C:406 |
1 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
15639 |
14.3 |
0.7 |
0.632 |
0 |
0 |
0 |
0.000 |
207 |
|
[IPA]H:406 |
1 |
1 |
197 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
15675 |
13.5 |
0.6 |
0.632 |
0 |
0 |
0 |
0.000 |
208 |
|
[IPA]E:407 |
1 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
15744 |
5.3 |
0.3 |
0.899 |
0 |
0 |
0 |
0.000 |
| Average: |
11.0 |
0.5 |
0.721 |
0 |
0 |
0 |
0.000 |
| 88 |
209 |
|
[GAL]H:408 |
2 |
1 |
303 |
◊ |
H |
-x,y,-z |
2_555 |
2 |
1 |
15862 |
9.8 |
0.1 |
0.396 |
0 |
0 |
0 |
0.000 |
| 89 |
210 |
|
[EDO]E:404 |
1 |
1 |
184 |
◊ |
[EDO]A:404 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
185 |
9.3 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 90 |
211 |
|
[IPA]A:408 |
1 |
1 |
199 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
15857 |
6.7 |
0.3 |
0.877 |
0 |
0 |
0 |
0.000 |
| 91 |
212 |
|
[IPA]G:405 |
1 |
1 |
198 |
f |
F |
x,y,z |
1_555 |
2 |
2 |
15769 |
6.4 |
0.3 |
0.874 |
0 |
0 |
0 |
0.000 |
| 92 |
213 |
|
[GAL]G:407 |
1 |
1 |
302 |
◊ |
J |
-x,y,-z |
2_555 |
1 |
1 |
15767 |
3.6 |
0.2 |
0.352 |
0 |
0 |
0 |
0.000 |
| 93 |
214 |
|
[IPA]F:404 |
1 |
1 |
197 |
f |
J |
x,y,z |
1_555 |
2 |
1 |
15767 |
2.8 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
| 94 |
215 |
|
[BGC]I:407 |
1 |
1 |
305 |
f |
[SIA]I:406 |
x,y,z |
1_555 |
1 |
1 |
442 |
0.8 |
0.0 |
0.204 |
0 |
0 |
0 |
0.000 |
216 |
|
[BGC]J:409 |
1 |
1 |
305 |
f |
[SIA]J:408 |
x,y,z |
1_555 |
1 |
1 |
443 |
0.7 |
0.0 |
0.204 |
0 |
0 |
0 |
0.000 |
| Average: |
0.8 |
0.0 |
0.204 |
0 |
0 |
0 |
0.000 |
| 95 |
217 |
|
[GAL]A:410 |
1 |
1 |
303 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
15639 |
0.3 |
0.0 |
0.315 |
0 |
0 |
0 |
0.000 |
|