| ## |
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 |
45 |
16 |
10028 |
◊ |
B |
x,y,z |
1_555 |
56 |
18 |
10016 |
467.3 |
-7.8 |
0.063 |
0 |
0 |
0 |
0.000 |
2 |
|
G |
48 |
16 |
10016 |
◊ |
F |
x,y,z |
1_555 |
48 |
16 |
10040 |
443.1 |
-7.8 |
0.055 |
3 |
0 |
0 |
0.000 |
3 |
|
J |
45 |
17 |
10013 |
◊ |
I |
x,y,z |
1_555 |
52 |
19 |
10023 |
441.3 |
-7.8 |
0.054 |
1 |
0 |
0 |
0.000 |
4 |
|
B |
47 |
17 |
10016 |
◊ |
A |
x,y,z |
1_555 |
53 |
18 |
10013 |
437.0 |
-7.7 |
0.065 |
1 |
0 |
0 |
0.000 |
5 |
|
H |
46 |
16 |
10026 |
◊ |
G |
x,y,z |
1_555 |
52 |
17 |
10016 |
436.2 |
-7.7 |
0.060 |
2 |
0 |
0 |
0.000 |
6 |
|
L |
49 |
17 |
10014 |
◊ |
I |
x,y,z |
1_555 |
46 |
16 |
10023 |
435.7 |
-7.7 |
0.058 |
2 |
0 |
0 |
0.000 |
7 |
|
D |
46 |
16 |
10026 |
◊ |
A |
x,y,z |
1_555 |
45 |
16 |
10013 |
432.4 |
-7.7 |
0.053 |
3 |
0 |
0 |
0.000 |
8 |
|
P |
48 |
16 |
10016 |
◊ |
O |
x,y,z |
1_555 |
48 |
16 |
10021 |
432.1 |
-7.8 |
0.056 |
3 |
0 |
0 |
0.000 |
9 |
|
P |
47 |
16 |
10016 |
◊ |
M |
x,y,z |
1_555 |
44 |
16 |
10021 |
427.8 |
-7.6 |
0.052 |
2 |
0 |
0 |
0.000 |
10 |
|
F |
42 |
14 |
10040 |
◊ |
E |
x,y,z |
1_555 |
41 |
15 |
10024 |
427.2 |
-7.5 |
0.045 |
2 |
0 |
0 |
0.000 |
11 |
|
D |
44 |
16 |
10026 |
◊ |
C |
x,y,z |
1_555 |
45 |
16 |
10028 |
427.0 |
-7.8 |
0.047 |
2 |
0 |
0 |
0.000 |
12 |
|
N |
44 |
14 |
10034 |
◊ |
M |
x,y,z |
1_555 |
44 |
16 |
10021 |
425.7 |
-7.8 |
0.045 |
2 |
0 |
0 |
0.000 |
13 |
|
H |
48 |
16 |
10026 |
◊ |
E |
x,y,z |
1_555 |
42 |
16 |
10024 |
424.1 |
-7.7 |
0.048 |
1 |
0 |
0 |
0.000 |
14 |
|
L |
44 |
17 |
10014 |
◊ |
K |
x,y,z |
1_555 |
46 |
17 |
10021 |
423.9 |
-7.8 |
0.047 |
2 |
0 |
0 |
0.000 |
| Average: |
434.3 |
-7.7 |
0.054 |
2 |
0 |
0 |
0.000 |
| 2 |
15 |
|
K |
55 |
16 |
10021 |
◊ |
G |
x,y,z |
1_555 |
57 |
16 |
10016 |
466.0 |
-2.8 |
0.441 |
4 |
0 |
0 |
0.000 |
16 |
|
O |
53 |
15 |
10021 |
◊ |
C |
x-1,y,z |
1_455 |
53 |
15 |
10028 |
464.4 |
-2.6 |
0.457 |
8 |
0 |
0 |
0.000 |
| Average: |
465.2 |
-2.7 |
0.449 |
6 |
0 |
0 |
0.000 |
| 3 |
17 |
|
I |
55 |
20 |
10023 |
◊ |
C |
x-1,y,z |
1_455 |
47 |
17 |
10028 |
461.7 |
-0.2 |
0.656 |
2 |
5 |
0 |
0.000 |
18 |
|
M |
43 |
15 |
10021 |
◊ |
G |
x,y,z |
1_555 |
36 |
13 |
10016 |
350.9 |
1.6 |
0.799 |
4 |
6 |
0 |
0.000 |
| Average: |
406.3 |
0.7 |
0.728 |
3 |
6 |
0 |
0.000 |
| 4 |
19 |
|
K |
44 |
16 |
10021 |
◊ |
J |
x,y,z |
1_555 |
53 |
19 |
10013 |
440.2 |
-7.8 |
0.057 |
2 |
0 |
0 |
0.000 |
20 |
|
O |
44 |
14 |
10021 |
◊ |
N |
x,y,z |
1_555 |
45 |
17 |
10034 |
431.8 |
-7.7 |
0.049 |
3 |
0 |
0 |
0.000 |
| Average: |
436.0 |
-7.7 |
0.053 |
3 |
0 |
0 |
0.000 |
| 5 |
21 |
|
N |
39 |
12 |
10034 |
◊ |
J |
x,y,z |
1_555 |
39 |
12 |
10013 |
365.2 |
1.2 |
0.771 |
8 |
2 |
0 |
0.000 |
22 |
|
F |
41 |
12 |
10040 |
◊ |
B |
x,y,z |
1_555 |
42 |
12 |
10016 |
359.3 |
1.2 |
0.774 |
9 |
2 |
0 |
0.000 |
23 |
|
E |
40 |
11 |
10024 |
◊ |
C |
x,y,z |
1_555 |
40 |
12 |
10028 |
355.9 |
1.2 |
0.772 |
7 |
2 |
0 |
0.000 |
24 |
|
G |
40 |
12 |
10016 |
◊ |
A |
x,y,z |
1_555 |
40 |
12 |
10013 |
344.1 |
1.0 |
0.756 |
7 |
2 |
0 |
0.000 |
25 |
|
M |
39 |
11 |
10021 |
◊ |
K |
x,y,z |
1_555 |
40 |
12 |
10021 |
337.8 |
0.6 |
0.723 |
6 |
2 |
0 |
0.000 |
26 |
|
H |
40 |
11 |
10026 |
◊ |
D |
x,y,z |
1_555 |
39 |
11 |
10026 |
333.3 |
1.0 |
0.761 |
7 |
2 |
0 |
0.000 |
27 |
|
P |
37 |
11 |
10016 |
◊ |
L |
x,y,z |
1_555 |
36 |
10 |
10014 |
322.7 |
1.1 |
0.769 |
6 |
2 |
0 |
0.000 |
28 |
|
O |
39 |
12 |
10021 |
◊ |
I |
x,y,z |
1_555 |
36 |
11 |
10023 |
319.3 |
0.7 |
0.731 |
6 |
2 |
0 |
0.000 |
| Average: |
342.2 |
1.0 |
0.757 |
7 |
2 |
0 |
0.000 |
| 6 |
29 |
|
N |
44 |
17 |
10034 |
◊ |
P |
x,y-1,z |
1_545 |
43 |
16 |
10016 |
360.5 |
0.1 |
0.684 |
4 |
3 |
0 |
0.000 |
30 |
|
F |
41 |
16 |
10040 |
◊ |
H |
x,y-1,z |
1_545 |
42 |
15 |
10026 |
339.6 |
0.5 |
0.710 |
4 |
3 |
0 |
0.000 |
31 |
|
B |
41 |
16 |
10016 |
◊ |
D |
x,y-1,z |
1_545 |
33 |
11 |
10026 |
302.1 |
1.7 |
0.807 |
4 |
2 |
0 |
0.000 |
32 |
|
O |
34 |
14 |
10021 |
◊ |
E |
x-1,y,z |
1_455 |
40 |
15 |
10024 |
297.2 |
-0.3 |
0.631 |
2 |
2 |
0 |
0.000 |
33 |
|
J |
43 |
16 |
10013 |
◊ |
L |
x,y-1,z |
1_545 |
34 |
13 |
10014 |
296.8 |
0.5 |
0.714 |
3 |
2 |
0 |
0.000 |
| Average: |
319.2 |
0.5 |
0.709 |
3 |
2 |
0 |
0.000 |
| 7 |
34 |
|
K |
43 |
16 |
10021 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
10013 |
341.4 |
-0.5 |
0.622 |
4 |
0 |
0 |
0.000 |
| 8 |
35 |
|
O |
36 |
9 |
10021 |
◊ |
M |
-x-1,y-1/2,-z |
2_445 |
38 |
11 |
10021 |
328.5 |
0.6 |
0.716 |
4 |
0 |
0 |
0.000 |
| 9 |
36 |
|
N |
38 |
11 |
10034 |
◊ |
L |
x,y-1,z |
1_545 |
38 |
11 |
10014 |
325.6 |
-2.3 |
0.414 |
2 |
0 |
0 |
0.000 |
37 |
|
F |
26 |
8 |
10040 |
◊ |
D |
x,y-1,z |
1_545 |
28 |
9 |
10026 |
227.5 |
-1.3 |
0.484 |
4 |
0 |
0 |
0.000 |
| Average: |
276.6 |
-1.8 |
0.449 |
3 |
0 |
0 |
0.000 |
| 10 |
38 |
|
N |
32 |
12 |
10034 |
◊ |
P |
-x-1,y-1/2,-z |
2_445 |
34 |
11 |
10016 |
325.1 |
0.5 |
0.688 |
1 |
0 |
0 |
0.000 |
| 11 |
39 |
|
J |
33 |
12 |
10013 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
44 |
14 |
10013 |
313.1 |
-1.8 |
0.441 |
1 |
2 |
0 |
0.019 |
| 12 |
40 |
|
F |
30 |
10 |
10040 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
24 |
8 |
10026 |
272.8 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
| 13 |
41 |
|
N |
29 |
10 |
10034 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
40 |
12 |
10024 |
269.3 |
-2.1 |
0.373 |
0 |
0 |
0 |
0.016 |
42 |
|
F |
29 |
9 |
10040 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
35 |
9 |
10021 |
247.2 |
-1.9 |
0.374 |
0 |
0 |
0 |
0.016 |
| Average: |
258.3 |
-2.0 |
0.374 |
0 |
0 |
0 |
0.016 |
| 14 |
43 |
|
G |
30 |
8 |
10016 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
29 |
10 |
10024 |
261.3 |
0.8 |
0.703 |
2 |
0 |
0 |
0.000 |
| 15 |
44 |
|
N |
25 |
7 |
10034 |
◊ |
G |
x,y,z |
1_555 |
32 |
11 |
10016 |
261.0 |
1.0 |
0.727 |
4 |
0 |
0 |
0.000 |
45 |
|
J |
23 |
7 |
10013 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
9 |
10028 |
206.9 |
1.3 |
0.720 |
3 |
0 |
0 |
0.000 |
| Average: |
233.9 |
1.2 |
0.724 |
4 |
0 |
0 |
0.000 |
| 16 |
46 |
|
B |
28 |
10 |
10016 |
◊ |
I |
-x-1,y-1/2,-z-1 |
2_444 |
33 |
11 |
10023 |
220.7 |
-1.6 |
0.407 |
1 |
2 |
0 |
0.017 |
| 17 |
47 |
|
M |
28 |
9 |
10021 |
◊ |
H |
x,y,z |
1_555 |
22 |
7 |
10026 |
218.1 |
-0.9 |
0.479 |
0 |
0 |
0 |
0.000 |
| 18 |
48 |
|
[PBZ]G:707 |
10 |
1 |
309 |
◊ |
G |
x,y,z |
1_555 |
38 |
15 |
10016 |
207.8 |
5.0 |
0.467 |
5 |
0 |
0 |
0.000 |
| 19 |
49 |
|
[PBZ]L:712 |
10 |
1 |
306 |
◊ |
L |
x,y,z |
1_555 |
38 |
17 |
10014 |
207.0 |
4.9 |
0.430 |
4 |
0 |
0 |
0.000 |
| 20 |
50 |
|
[PBZ]N:714 |
10 |
1 |
304 |
◊ |
N |
x,y,z |
1_555 |
39 |
17 |
10034 |
206.8 |
5.0 |
0.499 |
4 |
0 |
0 |
0.000 |
| 21 |
51 |
|
[PBZ]I:709 |
10 |
1 |
307 |
◊ |
I |
x,y,z |
1_555 |
39 |
17 |
10023 |
206.5 |
5.0 |
0.473 |
5 |
0 |
0 |
0.000 |
52 |
|
[PBZ]P:716 |
10 |
1 |
307 |
◊ |
P |
x,y,z |
1_555 |
38 |
15 |
10016 |
205.6 |
5.0 |
0.479 |
4 |
0 |
0 |
0.000 |
| Average: |
206.0 |
5.0 |
0.476 |
5 |
0 |
0 |
0.000 |
| 22 |
53 |
|
J |
26 |
7 |
10013 |
◊ |
K |
-x-1,y-1/2,-z-1 |
2_444 |
25 |
10 |
10021 |
206.4 |
-2.1 |
0.356 |
1 |
0 |
0 |
0.000 |
| 23 |
54 |
|
[PBZ]C:703 |
10 |
1 |
295 |
◊ |
C |
x,y,z |
1_555 |
38 |
18 |
10028 |
206.3 |
4.6 |
0.470 |
4 |
0 |
0 |
0.000 |
| 24 |
55 |
|
[PBZ]K:711 |
10 |
1 |
302 |
◊ |
K |
x,y,z |
1_555 |
38 |
16 |
10021 |
205.6 |
4.8 |
0.439 |
5 |
0 |
0 |
0.000 |
| 25 |
56 |
|
[PBZ]M:713 |
10 |
1 |
300 |
◊ |
M |
x,y,z |
1_555 |
40 |
17 |
10021 |
205.4 |
4.9 |
0.513 |
4 |
0 |
0 |
0.000 |
57 |
|
[PBZ]D:704 |
10 |
1 |
303 |
◊ |
D |
x,y,z |
1_555 |
38 |
16 |
10026 |
202.5 |
4.9 |
0.491 |
3 |
0 |
0 |
0.000 |
| Average: |
203.9 |
4.9 |
0.502 |
4 |
0 |
0 |
0.000 |
| 26 |
58 |
|
[PBZ]E:705 |
10 |
1 |
304 |
◊ |
E |
x,y,z |
1_555 |
39 |
17 |
10024 |
204.8 |
4.7 |
0.400 |
4 |
0 |
0 |
0.000 |
| 27 |
59 |
|
[PBZ]A:701 |
10 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
39 |
16 |
10013 |
204.8 |
5.0 |
0.394 |
4 |
0 |
0 |
0.000 |
| 28 |
60 |
|
C |
23 |
6 |
10028 |
◊ |
D |
x,y-1,z |
1_545 |
24 |
7 |
10026 |
204.5 |
0.0 |
0.635 |
3 |
0 |
0 |
0.000 |
61 |
|
F |
13 |
4 |
10040 |
◊ |
E |
x,y-1,z |
1_545 |
18 |
6 |
10024 |
113.8 |
0.6 |
0.692 |
1 |
0 |
0 |
0.000 |
| Average: |
159.1 |
0.3 |
0.663 |
2 |
0 |
0 |
0.000 |
| 29 |
62 |
|
[PBZ]H:708 |
10 |
1 |
304 |
◊ |
H |
x,y,z |
1_555 |
36 |
16 |
10026 |
203.0 |
4.9 |
0.463 |
4 |
0 |
0 |
0.000 |
| 30 |
63 |
|
[PBZ]O:715 |
10 |
1 |
300 |
◊ |
O |
x,y,z |
1_555 |
40 |
17 |
10021 |
202.7 |
4.7 |
0.451 |
4 |
0 |
0 |
0.000 |
| 31 |
64 |
|
[PBZ]B:702 |
10 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
36 |
15 |
10016 |
201.9 |
4.7 |
0.440 |
5 |
0 |
0 |
0.000 |
| 32 |
65 |
|
[PBZ]J:710 |
10 |
1 |
298 |
◊ |
J |
x,y,z |
1_555 |
34 |
16 |
10013 |
201.5 |
4.8 |
0.449 |
4 |
0 |
0 |
0.000 |
| 33 |
66 |
|
[PBZ]F:706 |
10 |
1 |
293 |
◊ |
F |
x,y,z |
1_555 |
38 |
16 |
10040 |
201.4 |
4.8 |
0.463 |
5 |
0 |
0 |
0.000 |
| 34 |
67 |
|
K |
23 |
7 |
10021 |
◊ |
L |
x,y-1,z |
1_545 |
24 |
9 |
10014 |
184.5 |
0.3 |
0.653 |
2 |
0 |
0 |
0.000 |
68 |
|
N |
22 |
9 |
10034 |
◊ |
M |
x,y-1,z |
1_545 |
22 |
7 |
10021 |
164.1 |
0.5 |
0.676 |
3 |
0 |
0 |
0.000 |
69 |
|
O |
13 |
7 |
10021 |
◊ |
F |
x-1,y,z |
1_455 |
20 |
6 |
10040 |
103.3 |
0.6 |
0.658 |
2 |
0 |
0 |
0.000 |
| Average: |
150.6 |
0.5 |
0.662 |
2 |
0 |
0 |
0.000 |
| 35 |
70 |
|
B |
25 |
6 |
10016 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
19 |
6 |
10028 |
177.2 |
-1.3 |
0.435 |
0 |
0 |
0 |
0.000 |
| 36 |
71 |
|
C |
25 |
10 |
10028 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
24 |
9 |
10013 |
176.5 |
0.6 |
0.715 |
1 |
0 |
0 |
0.000 |
| 37 |
72 |
|
I |
17 |
6 |
10023 |
◊ |
D |
x-1,y,z |
1_455 |
22 |
5 |
10026 |
142.6 |
-0.3 |
0.583 |
0 |
0 |
0 |
0.000 |
| 38 |
73 |
|
E |
17 |
5 |
10024 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
25 |
9 |
10026 |
132.5 |
-1.1 |
0.470 |
0 |
0 |
0 |
0.000 |
| 39 |
74 |
|
M |
13 |
8 |
10021 |
◊ |
L |
x,y,z |
1_555 |
13 |
8 |
10014 |
124.0 |
2.7 |
0.919 |
0 |
0 |
0 |
0.000 |
75 |
|
O |
13 |
8 |
10021 |
◊ |
J |
x,y,z |
1_555 |
13 |
8 |
10013 |
119.6 |
2.7 |
0.920 |
0 |
0 |
0 |
0.000 |
76 |
|
F |
11 |
7 |
10040 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
10028 |
112.2 |
3.1 |
0.946 |
0 |
0 |
0 |
0.000 |
77 |
|
G |
12 |
7 |
10016 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
10016 |
103.7 |
2.3 |
0.907 |
0 |
0 |
0 |
0.000 |
78 |
|
E |
11 |
7 |
10024 |
◊ |
D |
x,y,z |
1_555 |
11 |
7 |
10026 |
102.8 |
2.3 |
0.912 |
0 |
0 |
0 |
0.000 |
79 |
|
N |
9 |
7 |
10034 |
◊ |
K |
x,y,z |
1_555 |
9 |
7 |
10021 |
94.9 |
2.8 |
0.945 |
0 |
0 |
0 |
0.000 |
80 |
|
H |
10 |
7 |
10026 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
10013 |
85.5 |
2.5 |
0.929 |
0 |
0 |
0 |
0.000 |
81 |
|
P |
9 |
7 |
10016 |
◊ |
I |
x,y,z |
1_555 |
8 |
7 |
10023 |
69.0 |
2.2 |
0.923 |
0 |
0 |
0 |
0.000 |
| Average: |
101.5 |
2.6 |
0.925 |
0 |
0 |
0 |
0.000 |
| 40 |
82 |
|
J |
19 |
7 |
10013 |
◊ |
I |
x,y-1,z |
1_545 |
13 |
5 |
10023 |
121.3 |
-0.5 |
0.555 |
0 |
0 |
0 |
0.000 |
83 |
|
B |
16 |
7 |
10016 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
5 |
10013 |
87.6 |
-0.6 |
0.513 |
0 |
0 |
0 |
0.000 |
84 |
|
O |
11 |
4 |
10021 |
◊ |
P |
x,y-1,z |
1_545 |
13 |
6 |
10016 |
81.2 |
-0.4 |
0.542 |
0 |
0 |
0 |
0.000 |
85 |
|
P |
10 |
4 |
10016 |
◊ |
E |
x-1,y,z |
1_455 |
11 |
6 |
10024 |
50.0 |
-0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
86 |
|
G |
7 |
3 |
10016 |
◊ |
H |
x,y-1,z |
1_545 |
11 |
5 |
10026 |
46.4 |
-0.3 |
0.538 |
0 |
0 |
0 |
0.000 |
| Average: |
77.3 |
-0.4 |
0.543 |
0 |
0 |
0 |
0.000 |
| 41 |
87 |
|
K |
13 |
5 |
10021 |
◊ |
I |
-x-1,y-1/2,-z-1 |
2_444 |
10 |
5 |
10023 |
82.7 |
0.8 |
0.753 |
1 |
0 |
0 |
0.000 |
| 42 |
88 |
|
N |
12 |
3 |
10034 |
◊ |
O |
-x-1,y-1/2,-z |
2_445 |
6 |
3 |
10021 |
77.7 |
-0.2 |
0.475 |
1 |
0 |
0 |
0.000 |
| 43 |
89 |
|
B |
10 |
5 |
10016 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
8 |
4 |
10026 |
72.4 |
0.6 |
0.529 |
0 |
0 |
0 |
0.000 |
| 44 |
90 |
|
[CO]M:4 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
10 |
6 |
10021 |
62.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.073 |
91 |
|
[CO]E:2 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
10 |
6 |
10024 |
62.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.073 |
92 |
|
[CO]A:1 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
10013 |
57.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.073 |
93 |
|
[CO]I:3 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
10 |
5 |
10023 |
56.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
59.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.073 |
| 45 |
94 |
|
F |
6 |
2 |
10040 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
7 |
2 |
10016 |
51.6 |
0.2 |
0.593 |
1 |
0 |
0 |
0.000 |
| 46 |
95 |
|
B |
3 |
1 |
10016 |
cf |
[CO]I:3 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
44.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.121 |
96 |
|
J |
5 |
2 |
10013 |
f |
[CO]A:1 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
40.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.121 |
97 |
|
N |
3 |
1 |
10034 |
f |
[CO]E:2 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
27.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.121 |
98 |
|
F |
3 |
1 |
10040 |
f |
[CO]M:4 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
23.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
34.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.121 |
| 47 |
99 |
|
[PBZ]B:702 |
3 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
10013 |
39.4 |
0.5 |
0.175 |
0 |
0 |
0 |
0.000 |
| 48 |
100 |
|
M |
7 |
3 |
10021 |
◊ |
P |
-x-1,y-1/2,-z |
2_445 |
8 |
4 |
10016 |
39.2 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
| 49 |
101 |
|
[PBZ]J:710 |
4 |
1 |
298 |
f |
I |
x,y,z |
1_555 |
4 |
3 |
10023 |
33.0 |
0.7 |
0.107 |
0 |
0 |
0 |
0.000 |
| 50 |
102 |
|
[PBZ]K:711 |
3 |
1 |
302 |
f |
J |
x,y,z |
1_555 |
6 |
2 |
10013 |
30.0 |
0.7 |
0.179 |
0 |
0 |
0 |
0.000 |
| 51 |
103 |
|
[PBZ]C:703 |
3 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
10016 |
26.3 |
0.6 |
0.180 |
0 |
0 |
0 |
0.000 |
| 52 |
104 |
|
K |
3 |
2 |
10021 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10016 |
25.1 |
0.3 |
0.581 |
0 |
0 |
0 |
0.000 |
| 53 |
105 |
|
[PBZ]E:705 |
3 |
1 |
304 |
f |
H |
x,y,z |
1_555 |
4 |
2 |
10026 |
24.1 |
0.6 |
0.086 |
0 |
0 |
0 |
0.000 |
| 54 |
106 |
|
[PBZ]A:701 |
3 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
10026 |
23.7 |
0.4 |
0.028 |
0 |
0 |
0 |
0.000 |
| 55 |
107 |
|
[PBZ]F:706 |
3 |
1 |
293 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
10024 |
23.7 |
0.4 |
0.029 |
0 |
0 |
0 |
0.000 |
| 56 |
108 |
|
[PBZ]I:709 |
3 |
1 |
307 |
f |
L |
x,y,z |
1_555 |
3 |
2 |
10014 |
22.1 |
0.6 |
0.144 |
0 |
0 |
0 |
0.000 |
109 |
|
[PBZ]P:716 |
3 |
1 |
307 |
f |
O |
x,y,z |
1_555 |
2 |
2 |
10021 |
21.6 |
0.4 |
0.134 |
0 |
0 |
0 |
0.000 |
| Average: |
21.8 |
0.5 |
0.139 |
0 |
0 |
0 |
0.000 |
| 57 |
110 |
|
[PBZ]G:707 |
3 |
1 |
309 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
10040 |
21.1 |
0.4 |
0.060 |
0 |
0 |
0 |
0.000 |
| 58 |
111 |
|
[PBZ]D:704 |
3 |
1 |
303 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
10028 |
20.8 |
0.5 |
0.187 |
0 |
0 |
0 |
0.000 |
112 |
|
[PBZ]M:713 |
3 |
1 |
300 |
f |
P |
x,y,z |
1_555 |
1 |
1 |
10016 |
17.1 |
0.5 |
0.107 |
0 |
0 |
0 |
0.000 |
| Average: |
19.0 |
0.5 |
0.147 |
0 |
0 |
0 |
0.000 |
| 59 |
113 |
|
[PBZ]L:712 |
3 |
1 |
306 |
f |
K |
x,y,z |
1_555 |
2 |
1 |
10021 |
16.4 |
0.4 |
0.075 |
0 |
0 |
0 |
0.000 |
| 60 |
114 |
|
[PBZ]N:714 |
3 |
1 |
304 |
f |
M |
x,y,z |
1_555 |
1 |
1 |
10021 |
15.1 |
0.4 |
0.106 |
0 |
0 |
0 |
0.000 |
| 61 |
115 |
|
[PBZ]H:708 |
3 |
1 |
304 |
f |
G |
x,y,z |
1_555 |
1 |
1 |
10016 |
14.9 |
0.4 |
0.128 |
0 |
0 |
0 |
0.000 |
| 62 |
116 |
|
L |
4 |
1 |
10014 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10013 |
13.0 |
0.2 |
0.696 |
0 |
0 |
0 |
0.000 |
| 63 |
117 |
|
[PBZ]O:715 |
3 |
1 |
300 |
f |
N |
x,y,z |
1_555 |
1 |
1 |
10034 |
10.3 |
0.3 |
0.135 |
0 |
0 |
0 |
0.000 |
| 64 |
118 |
|
A |
1 |
1 |
10013 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
10026 |
4.5 |
0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
| 65 |
119 |
|
J |
1 |
1 |
10013 |
◊ |
L |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
10014 |
2.3 |
0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
| 66 |
120 |
|
O |
1 |
1 |
10021 |
◊ |
P |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
10016 |
1.0 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
|