| ## |
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 |
|
I |
62 |
19 |
8471 |
◊ |
G |
x,y,z |
1_555 |
72 |
18 |
8530 |
669.0 |
-1.8 |
0.512 |
15 |
5 |
0 |
0.215 |
2 |
|
K |
66 |
17 |
8640 |
◊ |
J |
x,y,z |
1_555 |
63 |
19 |
8696 |
657.4 |
-2.5 |
0.455 |
15 |
6 |
0 |
0.215 |
3 |
|
I |
69 |
18 |
8471 |
◊ |
H |
x,y,z |
1_555 |
61 |
19 |
8433 |
656.7 |
-1.9 |
0.532 |
15 |
5 |
0 |
0.215 |
4 |
|
L |
62 |
19 |
8633 |
◊ |
J |
x,y,z |
1_555 |
68 |
17 |
8696 |
656.1 |
-1.9 |
0.536 |
15 |
5 |
0 |
0.215 |
5 |
|
H |
68 |
18 |
8433 |
◊ |
G |
x,y,z |
1_555 |
61 |
19 |
8530 |
654.6 |
-2.9 |
0.408 |
15 |
4 |
0 |
0.215 |
6 |
|
E |
71 |
18 |
8508 |
◊ |
D |
x,y,z |
1_555 |
62 |
19 |
8444 |
652.6 |
-1.9 |
0.510 |
15 |
6 |
0 |
0.215 |
7 |
|
L |
64 |
16 |
8633 |
◊ |
K |
x,y,z |
1_555 |
64 |
19 |
8640 |
652.2 |
-1.5 |
0.582 |
14 |
4 |
0 |
0.215 |
8 |
|
F |
65 |
19 |
8535 |
◊ |
D |
x,y,z |
1_555 |
71 |
17 |
8444 |
638.0 |
-1.1 |
0.576 |
15 |
6 |
0 |
0.215 |
9 |
|
C |
64 |
19 |
8361 |
◊ |
A |
x,y,z |
1_555 |
69 |
17 |
8559 |
636.0 |
-1.4 |
0.585 |
15 |
6 |
0 |
0.215 |
10 |
|
C |
67 |
17 |
8361 |
◊ |
B |
x,y,z |
1_555 |
63 |
19 |
8535 |
635.2 |
-1.0 |
0.592 |
14 |
5 |
0 |
0.215 |
11 |
|
B |
67 |
16 |
8535 |
◊ |
A |
x,y,z |
1_555 |
63 |
19 |
8559 |
634.5 |
-1.2 |
0.587 |
14 |
4 |
0 |
0.215 |
12 |
|
F |
68 |
18 |
8535 |
◊ |
E |
x,y,z |
1_555 |
64 |
19 |
8508 |
632.9 |
-1.1 |
0.585 |
15 |
5 |
0 |
0.215 |
| Average: |
647.9 |
-1.7 |
0.538 |
15 |
5 |
0 |
0.215 |
| 2 |
13 |
|
K |
69 |
18 |
8640 |
◊ |
H |
x,y,z |
1_555 |
69 |
18 |
8433 |
648.3 |
-12.0 |
0.044 |
5 |
4 |
0 |
0.200 |
14 |
|
E |
68 |
17 |
8508 |
◊ |
C |
x,y,z |
1_555 |
66 |
18 |
8361 |
615.0 |
-10.2 |
0.071 |
6 |
3 |
0 |
0.200 |
15 |
|
J |
62 |
17 |
8696 |
◊ |
I |
x,y,z |
1_555 |
66 |
18 |
8471 |
610.0 |
-9.4 |
0.089 |
7 |
4 |
0 |
0.200 |
16 |
|
L |
61 |
17 |
8633 |
◊ |
G |
x,y,z |
1_555 |
67 |
18 |
8530 |
609.7 |
-10.0 |
0.072 |
5 |
3 |
0 |
0.200 |
17 |
|
F |
62 |
17 |
8535 |
◊ |
B |
x,y,z |
1_555 |
64 |
17 |
8535 |
587.0 |
-9.7 |
0.069 |
5 |
3 |
0 |
0.200 |
18 |
|
D |
61 |
17 |
8444 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
8559 |
563.4 |
-10.3 |
0.047 |
7 |
4 |
0 |
0.200 |
| Average: |
605.6 |
-10.3 |
0.065 |
6 |
4 |
0 |
0.200 |
| 3 |
19 |
|
D |
45 |
14 |
8444 |
◊ |
C |
-x+3,y-1/2,-z+1/2 |
3_845 |
42 |
13 |
8361 |
423.1 |
-4.1 |
0.280 |
3 |
2 |
0 |
0.012 |
| 4 |
20 |
|
H |
48 |
13 |
8433 |
◊ |
J |
x-1/2,-y+5/2,-z |
4_475 |
48 |
12 |
8696 |
408.2 |
0.4 |
0.663 |
1 |
1 |
0 |
0.000 |
| 5 |
21 |
|
B |
41 |
14 |
8535 |
◊ |
K |
x-1/2,-y+5/2,-z |
4_475 |
37 |
11 |
8640 |
366.4 |
-2.3 |
0.443 |
4 |
0 |
0 |
0.000 |
| 6 |
22 |
|
I |
45 |
14 |
8471 |
◊ |
B |
x,y,z |
1_555 |
41 |
11 |
8535 |
366.1 |
-3.2 |
0.380 |
0 |
1 |
0 |
0.000 |
| 7 |
23 |
|
G |
27 |
9 |
8530 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
31 |
8 |
8535 |
230.5 |
-2.2 |
0.382 |
1 |
0 |
0 |
0.000 |
| 8 |
24 |
|
D |
28 |
10 |
8444 |
◊ |
E |
-x+3,y-1/2,-z+1/2 |
3_845 |
28 |
9 |
8508 |
227.8 |
-0.5 |
0.599 |
1 |
1 |
0 |
0.000 |
| 9 |
25 |
|
I |
22 |
8 |
8471 |
◊ |
F |
x,y,z |
1_555 |
27 |
10 |
8535 |
209.8 |
-1.0 |
0.513 |
1 |
1 |
0 |
0.000 |
| 10 |
26 |
|
C |
21 |
5 |
8361 |
◊ |
K |
x-1/2,-y+5/2,-z |
4_475 |
23 |
4 |
8640 |
187.9 |
-1.2 |
0.492 |
1 |
1 |
0 |
0.000 |
| 11 |
27 |
|
E |
24 |
7 |
8508 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
8535 |
184.1 |
-3.7 |
0.186 |
0 |
0 |
0 |
0.040 |
28 |
|
F |
21 |
7 |
8535 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
8559 |
178.9 |
-3.9 |
0.135 |
0 |
0 |
0 |
0.040 |
29 |
|
K |
22 |
7 |
8640 |
◊ |
G |
x,y,z |
1_555 |
21 |
7 |
8530 |
170.2 |
-4.2 |
0.129 |
0 |
0 |
0 |
0.040 |
30 |
|
J |
21 |
7 |
8696 |
◊ |
H |
x,y,z |
1_555 |
21 |
7 |
8433 |
164.3 |
-4.3 |
0.118 |
0 |
0 |
0 |
0.040 |
31 |
|
D |
21 |
7 |
8444 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
8361 |
163.6 |
-4.2 |
0.097 |
0 |
0 |
0 |
0.040 |
32 |
|
L |
18 |
6 |
8633 |
◊ |
I |
x,y,z |
1_555 |
18 |
6 |
8471 |
153.2 |
-4.6 |
0.067 |
0 |
0 |
0 |
0.040 |
| Average: |
169.0 |
-4.1 |
0.122 |
0 |
0 |
0 |
0.040 |
| 12 |
33 |
|
A |
20 |
7 |
8559 |
◊ |
L |
x-1/2,-y+3/2,-z |
4_465 |
24 |
5 |
8633 |
169.8 |
-2.9 |
0.268 |
0 |
0 |
0 |
0.006 |
| 13 |
34 |
|
H |
21 |
8 |
8433 |
◊ |
E |
x-1/2,-y+5/2,-z |
4_475 |
20 |
5 |
8508 |
169.3 |
-0.9 |
0.494 |
0 |
0 |
0 |
0.000 |
| 14 |
35 |
|
[POP]I:201 |
9 |
1 |
261 |
◊ |
I |
x,y,z |
1_555 |
28 |
17 |
8471 |
162.8 |
0.9 |
0.729 |
8 |
0 |
0 |
0.024 |
36 |
|
[POP]C:201 |
9 |
1 |
259 |
◊ |
C |
x,y,z |
1_555 |
25 |
16 |
8361 |
154.5 |
1.2 |
0.709 |
8 |
0 |
0 |
0.024 |
| Average: |
158.7 |
1.1 |
0.719 |
8 |
0 |
0 |
0.024 |
| 15 |
37 |
|
[POP]D:201 |
9 |
1 |
260 |
◊ |
D |
x,y,z |
1_555 |
25 |
17 |
8444 |
160.1 |
0.8 |
0.702 |
7 |
0 |
0 |
0.021 |
| 16 |
38 |
|
[POP]L:201 |
9 |
1 |
260 |
◊ |
L |
x,y,z |
1_555 |
24 |
16 |
8633 |
158.2 |
-0.1 |
0.615 |
10 |
0 |
0 |
0.039 |
| 17 |
39 |
|
[POP]A:201 |
9 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
27 |
16 |
8559 |
157.6 |
1.5 |
0.748 |
8 |
0 |
0 |
0.018 |
| 18 |
40 |
|
[POP]E:201 |
9 |
1 |
258 |
f |
E |
x,y,z |
1_555 |
24 |
16 |
8508 |
157.5 |
1.9 |
0.722 |
6 |
0 |
0 |
0.009 |
| 19 |
41 |
|
[POP]J:201 |
9 |
1 |
260 |
◊ |
J |
x,y,z |
1_555 |
26 |
17 |
8696 |
157.4 |
0.9 |
0.693 |
8 |
0 |
0 |
0.024 |
| 20 |
42 |
|
[POP]G:201 |
9 |
1 |
257 |
◊ |
G |
x,y,z |
1_555 |
26 |
16 |
8530 |
157.3 |
-0.1 |
0.581 |
10 |
0 |
0 |
0.040 |
| 21 |
43 |
|
[POP]F:201 |
9 |
1 |
259 |
◊ |
F |
x,y,z |
1_555 |
22 |
16 |
8535 |
155.3 |
1.2 |
0.666 |
9 |
0 |
0 |
0.028 |
| 22 |
44 |
|
[POP]B:201 |
9 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
27 |
16 |
8535 |
151.0 |
0.3 |
0.625 |
7 |
0 |
0 |
0.029 |
| 23 |
45 |
|
[POP]H:201 |
9 |
1 |
258 |
◊ |
H |
x,y,z |
1_555 |
27 |
14 |
8433 |
150.8 |
0.5 |
0.633 |
8 |
0 |
0 |
0.034 |
| 24 |
46 |
|
[POP]K:201 |
9 |
1 |
258 |
◊ |
K |
x,y,z |
1_555 |
26 |
13 |
8640 |
147.5 |
-0.1 |
0.549 |
8 |
0 |
0 |
0.040 |
| 25 |
47 |
|
G |
7 |
3 |
8530 |
◊ |
A |
-x+5/2,-y+2,z-1/2 |
2_774 |
8 |
3 |
8559 |
64.8 |
-1.2 |
0.310 |
0 |
0 |
0 |
0.000 |
| 26 |
48 |
|
[CA]C:202 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8361 |
53.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.264 |
49 |
|
[CA]D:205 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8444 |
52.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.264 |
50 |
|
[CA]I:205 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
11 |
5 |
8471 |
52.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.264 |
51 |
|
[CA]L:204 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
11 |
7 |
8633 |
52.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.264 |
52 |
|
[CA]J:205 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
11 |
5 |
8696 |
50.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.264 |
53 |
|
[CA]K:202 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
11 |
7 |
8640 |
50.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.264 |
54 |
|
[CA]A:205 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8559 |
48.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.264 |
55 |
|
[CA]G:203 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
8530 |
47.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.264 |
56 |
|
[CA]F:204 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
8535 |
47.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.264 |
57 |
|
[CA]H:205 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
8433 |
45.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.264 |
58 |
|
[CA]B:205 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8535 |
44.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.264 |
59 |
|
[CA]E:203 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
8508 |
43.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.264 |
| Average: |
49.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.264 |
| 27 |
60 |
|
B |
7 |
2 |
8535 |
◊ |
L |
x-1/2,-y+3/2,-z |
4_465 |
6 |
2 |
8633 |
51.8 |
-0.5 |
0.406 |
0 |
0 |
0 |
0.001 |
| 28 |
61 |
|
[CA]G:205 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
8530 |
44.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.290 |
62 |
|
[CA]E:204 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
8508 |
44.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.290 |
63 |
|
[CA]B:202 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8535 |
44.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.290 |
64 |
|
[CA]L:205 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
8 |
5 |
8633 |
43.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.290 |
65 |
|
[CA]J:204 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
7 |
4 |
8696 |
43.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.290 |
66 |
|
[CA]I:203 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
6 |
4 |
8471 |
43.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.290 |
67 |
|
[CA]C:204 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
8361 |
43.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.290 |
68 |
|
[CA]D:204 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
8444 |
43.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.290 |
69 |
|
[CA]F:202 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
8535 |
43.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.290 |
70 |
|
[CA]H:204 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
6 |
4 |
8433 |
43.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.290 |
71 |
|
[CA]A:204 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
8559 |
43.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.290 |
72 |
|
[CA]K:203 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
6 |
5 |
8640 |
41.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.290 |
| Average: |
43.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.290 |
| 29 |
73 |
|
[CA]L:203 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
5 |
4 |
8633 |
43.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.249 |
74 |
|
[CA]C:203 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
8361 |
43.4 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.249 |
75 |
|
[CA]I:204 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
4 |
3 |
8471 |
43.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.249 |
76 |
|
[CA]D:203 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
8444 |
43.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.249 |
77 |
|
[CA]A:202 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
8559 |
43.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.249 |
78 |
|
[CA]B:204 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
8535 |
43.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.249 |
79 |
|
[CA]J:203 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
4 |
3 |
8696 |
43.0 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.249 |
80 |
|
[CA]G:204 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
4 |
3 |
8530 |
42.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.249 |
81 |
|
[CA]H:202 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
5 |
4 |
8433 |
39.3 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.249 |
| Average: |
42.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.249 |
| 30 |
82 |
|
[CA]L:202 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
7 |
6 |
8633 |
39.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.171 |
83 |
|
[CA]E:202 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
6 |
8508 |
38.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.171 |
84 |
|
[CA]I:202 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
7 |
6 |
8471 |
37.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.171 |
85 |
|
[CA]B:203 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
8535 |
37.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.171 |
86 |
|
[CA]D:202 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
7 |
8444 |
36.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.171 |
87 |
|
[CA]F:203 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
7 |
8535 |
36.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.171 |
88 |
|
[CA]C:205 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
6 |
8361 |
34.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.171 |
89 |
|
[CA]H:203 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
6 |
5 |
8433 |
34.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.171 |
90 |
|
[CA]A:203 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
8559 |
34.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.171 |
91 |
|
[CA]J:202 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
6 |
6 |
8696 |
33.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.171 |
92 |
|
[CA]G:202 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
6 |
5 |
8530 |
33.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.171 |
| Average: |
36.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.171 |
| 31 |
93 |
|
[CA]A:203 |
1 |
1 |
85 |
◊ |
[POP]A:201 |
x,y,z |
1_555 |
4 |
1 |
259 |
32.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.104 |
94 |
|
[CA]J:202 |
1 |
1 |
85 |
◊ |
[POP]J:201 |
x,y,z |
1_555 |
3 |
1 |
260 |
30.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.104 |
95 |
|
[CA]D:202 |
1 |
1 |
85 |
◊ |
[POP]D:201 |
x,y,z |
1_555 |
2 |
1 |
260 |
28.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
30.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.104 |
| 32 |
96 |
|
[CA]C:205 |
1 |
1 |
85 |
◊ |
[POP]C:201 |
x,y,z |
1_555 |
3 |
1 |
259 |
31.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.117 |
97 |
|
[CA]F:203 |
1 |
1 |
85 |
◊ |
[POP]F:201 |
x,y,z |
1_555 |
4 |
1 |
259 |
30.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.117 |
98 |
|
[CA]B:203 |
1 |
1 |
85 |
◊ |
[POP]B:201 |
x,y,z |
1_555 |
3 |
1 |
256 |
29.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.117 |
99 |
|
[CA]I:202 |
1 |
1 |
85 |
◊ |
[POP]I:201 |
x,y,z |
1_555 |
2 |
1 |
261 |
28.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
30.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.117 |
| 33 |
100 |
|
[CA]H:203 |
1 |
1 |
85 |
◊ |
[POP]H:201 |
x,y,z |
1_555 |
3 |
1 |
258 |
31.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.064 |
| 34 |
101 |
|
[CA]G:202 |
1 |
1 |
85 |
◊ |
[POP]G:201 |
x,y,z |
1_555 |
6 |
1 |
257 |
30.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.093 |
102 |
|
[CA]L:202 |
1 |
1 |
85 |
◊ |
[POP]L:201 |
x,y,z |
1_555 |
6 |
1 |
260 |
29.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
29.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.093 |
| 35 |
103 |
|
[CA]E:202 |
1 |
1 |
85 |
f |
[POP]E:201 |
x,y,z |
1_555 |
2 |
1 |
258 |
29.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.063 |
| 36 |
104 |
|
G |
2 |
2 |
8530 |
◊ |
D |
-x+5/2,-y+2,z-1/2 |
2_774 |
3 |
2 |
8444 |
19.9 |
0.2 |
0.604 |
0 |
0 |
0 |
0.000 |
| 37 |
105 |
|
[CA]H:202 |
1 |
1 |
85 |
◊ |
E |
x-1/2,-y+5/2,-z |
4_475 |
1 |
1 |
8508 |
17.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
106 |
|
[CA]G:204 |
1 |
1 |
85 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
8535 |
9.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
13.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
107 |
|
G |
3 |
1 |
8530 |
◊ |
E |
x-1/2,-y+5/2,-z |
4_475 |
3 |
1 |
8508 |
16.5 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
| 39 |
108 |
|
I |
3 |
1 |
8471 |
◊ |
L |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
8633 |
14.2 |
-0.2 |
0.487 |
0 |
0 |
0 |
0.000 |
| 40 |
109 |
|
[CA]J:205 |
1 |
1 |
85 |
◊ |
[POP]J:201 |
x,y,z |
1_555 |
1 |
1 |
260 |
13.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.023 |
110 |
|
[CA]I:203 |
1 |
1 |
85 |
◊ |
[POP]I:201 |
x,y,z |
1_555 |
3 |
1 |
261 |
4.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.023 |
111 |
|
[CA]C:204 |
1 |
1 |
85 |
◊ |
[POP]C:201 |
x,y,z |
1_555 |
1 |
1 |
259 |
4.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
7.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| 41 |
112 |
|
[CA]G:203 |
1 |
1 |
85 |
◊ |
[POP]G:201 |
x,y,z |
1_555 |
3 |
1 |
257 |
13.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
113 |
|
[CA]K:202 |
1 |
1 |
85 |
◊ |
[POP]K:201 |
x,y,z |
1_555 |
3 |
1 |
258 |
9.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
11.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| 42 |
114 |
|
[CA]A:205 |
1 |
1 |
85 |
◊ |
[POP]A:201 |
x,y,z |
1_555 |
1 |
1 |
259 |
11.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.021 |
| 43 |
115 |
|
[CA]K:203 |
1 |
1 |
85 |
◊ |
[POP]K:201 |
x,y,z |
1_555 |
1 |
1 |
258 |
11.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.027 |
116 |
|
[CA]H:204 |
1 |
1 |
85 |
◊ |
[POP]H:201 |
x,y,z |
1_555 |
1 |
1 |
258 |
7.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.027 |
117 |
|
[CA]B:205 |
1 |
1 |
85 |
◊ |
[POP]B:201 |
x,y,z |
1_555 |
2 |
1 |
256 |
3.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
7.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.027 |
| 44 |
118 |
|
[CA]A:204 |
1 |
1 |
85 |
◊ |
[POP]A:201 |
x,y,z |
1_555 |
1 |
1 |
259 |
9.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.022 |
119 |
|
[CA]D:204 |
1 |
1 |
85 |
◊ |
[POP]D:201 |
x,y,z |
1_555 |
2 |
1 |
260 |
4.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
6.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.022 |
| 45 |
120 |
|
[CA]B:202 |
1 |
1 |
85 |
◊ |
[POP]B:201 |
x,y,z |
1_555 |
1 |
1 |
256 |
9.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
121 |
|
[CA]L:205 |
1 |
1 |
85 |
◊ |
[POP]L:201 |
x,y,z |
1_555 |
2 |
1 |
260 |
6.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
122 |
|
[CA]G:205 |
1 |
1 |
85 |
◊ |
[POP]G:201 |
x,y,z |
1_555 |
1 |
1 |
257 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
6.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
| 46 |
123 |
|
F |
2 |
1 |
8535 |
◊ |
L |
x-1/2,-y+3/2,-z |
4_465 |
4 |
2 |
8633 |
7.0 |
-0.2 |
0.472 |
0 |
0 |
0 |
0.000 |
| 47 |
124 |
|
[CA]E:203 |
1 |
1 |
85 |
f |
[POP]E:201 |
x,y,z |
1_555 |
3 |
1 |
258 |
6.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 48 |
125 |
|
[CA]K:203 |
1 |
1 |
85 |
f |
[CA]K:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.026 |
| 49 |
126 |
|
[CA]H:205 |
1 |
1 |
85 |
◊ |
[POP]H:201 |
x,y,z |
1_555 |
2 |
1 |
258 |
6.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
127 |
|
[CA]J:204 |
1 |
1 |
85 |
◊ |
[POP]J:201 |
x,y,z |
1_555 |
1 |
1 |
260 |
6.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
6.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 50 |
128 |
|
[CA]E:204 |
1 |
1 |
85 |
f |
[POP]E:201 |
x,y,z |
1_555 |
1 |
1 |
258 |
5.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 51 |
129 |
|
[CA]C:202 |
1 |
1 |
85 |
◊ |
[POP]C:201 |
x,y,z |
1_555 |
1 |
1 |
259 |
4.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
130 |
|
[CA]I:205 |
1 |
1 |
85 |
◊ |
[POP]I:201 |
x,y,z |
1_555 |
3 |
1 |
261 |
3.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
3.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 52 |
131 |
|
[CA]G:203 |
1 |
1 |
85 |
f |
[CA]G:202 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 53 |
132 |
|
[CA]F:202 |
1 |
1 |
85 |
◊ |
[POP]F:201 |
x,y,z |
1_555 |
1 |
1 |
259 |
2.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 54 |
133 |
|
[CA]D:203 |
1 |
1 |
85 |
◊ |
E |
-x+3,y-1/2,-z+1/2 |
3_845 |
1 |
1 |
8508 |
1.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
134 |
|
[CA]A:205 |
1 |
1 |
85 |
f |
[CA]A:203 |
x,y,z |
1_555 |
1 |
1 |
85 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 56 |
135 |
|
A |
1 |
1 |
8559 |
◊ |
E |
-x+3,y-1/2,-z+1/2 |
3_845 |
1 |
1 |
8508 |
0.2 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|