## |
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 |
78 |
17 |
2906 |
◊ |
B |
x,y,z |
1_555 |
75 |
18 |
2911 |
719.2 |
-8.2 |
0.872 |
14 |
0 |
0 |
0.971 |
2 |
|
H |
70 |
17 |
2978 |
◊ |
F |
x,y,z |
1_555 |
73 |
18 |
2830 |
635.6 |
-7.9 |
0.824 |
12 |
0 |
0 |
0.971 |
3 |
|
L |
69 |
18 |
2914 |
◊ |
J |
x,y,z |
1_555 |
64 |
17 |
2810 |
601.1 |
-8.7 |
0.810 |
12 |
0 |
0 |
0.971 |
Average: |
652.0 |
-8.3 |
0.835 |
13 |
0 |
0 |
0.971 |
2 |
4 |
|
F |
55 |
16 |
2830 |
◊ |
E |
x,y,z |
1_555 |
59 |
13 |
2141 |
563.9 |
-10.0 |
0.444 |
9 |
1 |
2 |
0.327 |
3 |
5 |
|
H |
60 |
16 |
2978 |
◊ |
G |
x,y,z |
1_555 |
55 |
14 |
2052 |
549.2 |
-13.0 |
0.284 |
3 |
0 |
2 |
0.941 |
6 |
|
J |
58 |
16 |
2810 |
◊ |
I |
x,y,z |
1_555 |
54 |
13 |
2099 |
540.0 |
-12.7 |
0.287 |
6 |
0 |
2 |
0.941 |
7 |
|
L |
57 |
17 |
2914 |
◊ |
K |
x,y,z |
1_555 |
48 |
14 |
2076 |
529.2 |
-10.8 |
0.336 |
6 |
2 |
2 |
0.941 |
8 |
|
B |
58 |
17 |
2911 |
◊ |
A |
x,y,z |
1_555 |
48 |
11 |
1930 |
508.5 |
-10.7 |
0.411 |
7 |
1 |
2 |
0.941 |
9 |
|
D |
48 |
16 |
2906 |
◊ |
C |
x,y,z |
1_555 |
45 |
10 |
2098 |
476.2 |
-11.7 |
0.259 |
7 |
0 |
2 |
0.941 |
Average: |
520.6 |
-11.8 |
0.316 |
6 |
1 |
2 |
0.941 |
4 |
10 |
|
H |
25 |
5 |
2978 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
32 |
8 |
2141 |
257.8 |
-1.3 |
0.790 |
3 |
0 |
0 |
0.031 |
5 |
11 |
|
C |
29 |
7 |
2098 |
◊ |
B |
-x,y-1/2,-z+3 |
2_548 |
25 |
6 |
2911 |
249.0 |
-1.9 |
0.807 |
4 |
0 |
0 |
0.000 |
6 |
12 |
|
I |
21 |
6 |
2099 |
◊ |
G |
x-1,y,z |
1_455 |
19 |
6 |
2052 |
187.5 |
-0.3 |
0.852 |
2 |
2 |
0 |
0.000 |
7 |
13 |
|
L |
20 |
6 |
2914 |
◊ |
D |
x,y,z |
1_555 |
22 |
5 |
2906 |
154.2 |
-3.9 |
0.432 |
0 |
0 |
0 |
0.103 |
14 |
|
L |
15 |
4 |
2914 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
2978 |
119.5 |
-2.8 |
0.371 |
0 |
0 |
0 |
0.103 |
15 |
|
F |
14 |
6 |
2830 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
2911 |
102.2 |
-2.8 |
0.408 |
0 |
0 |
0 |
0.103 |
Average: |
125.3 |
-3.2 |
0.404 |
0 |
0 |
0 |
0.103 |
8 |
16 |
|
J |
19 |
6 |
2810 |
◊ |
F |
x,y,z |
1_555 |
22 |
5 |
2830 |
144.0 |
-3.8 |
0.418 |
0 |
0 |
0 |
0.079 |
17 |
|
H |
15 |
4 |
2978 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
2906 |
106.8 |
-2.8 |
0.388 |
0 |
0 |
0 |
0.079 |
18 |
|
J |
15 |
4 |
2810 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
2911 |
100.6 |
-2.9 |
0.349 |
0 |
0 |
0 |
0.079 |
Average: |
117.1 |
-3.2 |
0.385 |
0 |
0 |
0 |
0.079 |
9 |
19 |
|
J |
15 |
3 |
2810 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
2141 |
142.4 |
-2.2 |
0.585 |
2 |
0 |
0 |
0.044 |
20 |
|
L |
15 |
3 |
2914 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
2098 |
137.3 |
-2.1 |
0.616 |
2 |
0 |
0 |
0.044 |
21 |
|
B |
18 |
4 |
2911 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
2099 |
136.8 |
-2.3 |
0.589 |
1 |
0 |
0 |
0.044 |
22 |
|
H |
17 |
3 |
2978 |
◊ |
K |
x,y,z |
1_555 |
16 |
5 |
2076 |
132.3 |
-2.3 |
0.555 |
1 |
0 |
0 |
0.044 |
23 |
|
D |
17 |
3 |
2906 |
◊ |
G |
x,y,z |
1_555 |
16 |
6 |
2052 |
132.2 |
-2.4 |
0.580 |
0 |
0 |
0 |
0.044 |
24 |
|
F |
14 |
3 |
2830 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
1930 |
121.9 |
-2.8 |
0.566 |
0 |
0 |
0 |
0.044 |
Average: |
133.8 |
-2.4 |
0.582 |
1 |
0 |
0 |
0.044 |
10 |
25 |
|
J |
12 |
5 |
2810 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
2906 |
127.9 |
-3.2 |
0.317 |
0 |
0 |
0 |
0.064 |
26 |
|
H |
15 |
5 |
2978 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
2911 |
119.8 |
-3.0 |
0.405 |
0 |
0 |
0 |
0.064 |
27 |
|
L |
7 |
4 |
2914 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
2830 |
112.0 |
-3.6 |
0.113 |
0 |
0 |
0 |
0.064 |
Average: |
119.9 |
-3.3 |
0.278 |
0 |
0 |
0 |
0.064 |
11 |
28 |
|
J |
10 |
2 |
2810 |
◊ |
G |
x-1,y,z |
1_455 |
13 |
4 |
2052 |
102.4 |
-1.1 |
0.559 |
0 |
0 |
0 |
0.000 |
12 |
29 |
|
K |
9 |
3 |
2076 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
14 |
4 |
2141 |
87.8 |
-0.3 |
0.746 |
1 |
0 |
0 |
0.004 |
13 |
30 |
|
C |
10 |
3 |
2098 |
◊ |
I |
-x,y-1/2,-z+3 |
2_548 |
6 |
3 |
2099 |
84.5 |
-0.2 |
0.693 |
1 |
0 |
0 |
0.000 |
14 |
31 |
|
[ACN]L:101 |
4 |
1 |
197 |
◊ |
L |
x,y,z |
1_555 |
13 |
4 |
2914 |
82.2 |
2.2 |
0.352 |
2 |
0 |
0 |
0.000 |
15 |
32 |
|
D |
8 |
2 |
2906 |
◊ |
I |
x,y,z |
1_555 |
6 |
4 |
2099 |
81.6 |
-2.3 |
0.270 |
0 |
0 |
0 |
0.079 |
33 |
|
J |
8 |
2 |
2810 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
2098 |
80.8 |
-2.2 |
0.295 |
0 |
0 |
0 |
0.079 |
34 |
|
F |
8 |
2 |
2830 |
◊ |
K |
x,y,z |
1_555 |
5 |
3 |
2076 |
78.4 |
-2.1 |
0.275 |
0 |
0 |
0 |
0.079 |
35 |
|
H |
8 |
2 |
2978 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
1930 |
71.2 |
-2.1 |
0.283 |
0 |
0 |
0 |
0.079 |
36 |
|
L |
8 |
2 |
2914 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
2141 |
70.5 |
-2.0 |
0.329 |
0 |
0 |
0 |
0.079 |
37 |
|
B |
8 |
2 |
2911 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
2052 |
61.0 |
-1.7 |
0.277 |
0 |
0 |
0 |
0.079 |
Average: |
73.9 |
-2.0 |
0.288 |
0 |
0 |
0 |
0.079 |
16 |
38 |
|
L |
11 |
3 |
2914 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
11 |
4 |
2141 |
76.3 |
0.6 |
0.885 |
0 |
0 |
0 |
0.000 |
17 |
39 |
|
C |
8 |
1 |
2098 |
◊ |
A |
-x,y-1/2,-z+3 |
2_548 |
8 |
4 |
1930 |
76.3 |
-1.8 |
0.454 |
0 |
0 |
0 |
0.000 |
18 |
40 |
|
[IPH]E:101 |
6 |
1 |
236 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
2141 |
72.1 |
1.5 |
0.025 |
2 |
0 |
0 |
0.000 |
41 |
|
[IPH]G:101 |
6 |
1 |
234 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
2052 |
69.9 |
1.7 |
0.024 |
2 |
0 |
0 |
0.000 |
42 |
|
[IPH]K:101 |
6 |
1 |
235 |
◊ |
K |
x,y,z |
1_555 |
12 |
5 |
2076 |
68.8 |
1.6 |
0.025 |
2 |
0 |
0 |
0.000 |
Average: |
70.3 |
1.6 |
0.025 |
2 |
0 |
0 |
0.000 |
19 |
43 |
|
K |
9 |
3 |
2076 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
8 |
3 |
2830 |
70.3 |
-1.2 |
0.522 |
0 |
0 |
0 |
0.000 |
20 |
44 |
|
[IPH]C:101 |
7 |
1 |
234 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
2098 |
70.2 |
1.6 |
0.007 |
2 |
0 |
0 |
0.000 |
45 |
|
[IPH]A:101 |
6 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
1930 |
69.9 |
1.7 |
0.027 |
2 |
0 |
0 |
0.000 |
46 |
|
[IPH]I:101 |
7 |
1 |
236 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
2099 |
69.4 |
1.6 |
0.007 |
2 |
0 |
0 |
0.000 |
Average: |
69.8 |
1.6 |
0.014 |
2 |
0 |
0 |
0.000 |
21 |
47 |
|
L |
7 |
2 |
2914 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
6 |
1 |
2830 |
69.7 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
22 |
48 |
|
[IPH]G:101 |
7 |
1 |
234 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
2978 |
67.6 |
1.4 |
0.013 |
0 |
0 |
0 |
0.000 |
49 |
|
[IPH]K:101 |
7 |
1 |
235 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
2914 |
67.1 |
1.3 |
0.010 |
0 |
0 |
0 |
0.000 |
Average: |
67.4 |
1.4 |
0.011 |
0 |
0 |
0 |
0.000 |
23 |
50 |
|
[IPH]A:101 |
7 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
2911 |
67.6 |
1.4 |
0.010 |
0 |
0 |
0 |
0.000 |
51 |
|
[IPH]I:101 |
7 |
1 |
236 |
◊ |
J |
x,y,z |
1_555 |
11 |
4 |
2810 |
66.7 |
1.3 |
0.009 |
0 |
0 |
0 |
0.000 |
52 |
|
[IPH]C:101 |
7 |
1 |
234 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
2906 |
66.0 |
1.3 |
0.010 |
0 |
0 |
0 |
0.000 |
Average: |
66.8 |
1.3 |
0.010 |
0 |
0 |
0 |
0.000 |
24 |
53 |
|
D |
7 |
1 |
2906 |
◊ |
J |
-x,y-1/2,-z+3 |
2_548 |
9 |
2 |
2810 |
67.5 |
0.1 |
0.805 |
0 |
0 |
0 |
0.000 |
25 |
54 |
|
[IPH]E:101 |
7 |
1 |
236 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
2830 |
67.0 |
1.4 |
0.015 |
0 |
0 |
0 |
0.000 |
26 |
55 |
|
G |
7 |
3 |
2052 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
8 |
1 |
2141 |
64.1 |
-1.3 |
0.498 |
0 |
0 |
0 |
0.000 |
27 |
56 |
|
[IPH]A:101 |
7 |
1 |
235 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
2830 |
62.4 |
0.8 |
0.625 |
0 |
0 |
0 |
0.000 |
57 |
|
[IPH]I:101 |
7 |
1 |
236 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
2911 |
62.4 |
0.8 |
0.001 |
0 |
0 |
0 |
0.000 |
58 |
|
[IPH]C:101 |
7 |
1 |
234 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
2914 |
56.8 |
0.7 |
0.611 |
0 |
0 |
0 |
0.000 |
Average: |
60.5 |
0.8 |
0.412 |
0 |
0 |
0 |
0.000 |
28 |
59 |
|
[IPH]G:101 |
7 |
1 |
234 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
2906 |
61.4 |
0.8 |
0.520 |
0 |
0 |
0 |
0.000 |
60 |
|
[IPH]K:101 |
7 |
1 |
235 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
2978 |
60.3 |
0.9 |
0.001 |
0 |
0 |
0 |
0.000 |
Average: |
60.9 |
0.8 |
0.260 |
0 |
0 |
0 |
0.000 |
29 |
61 |
|
[IPH]E:101 |
7 |
1 |
236 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
2810 |
57.1 |
0.6 |
0.599 |
0 |
0 |
0 |
0.000 |
30 |
62 |
|
L |
7 |
3 |
2914 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
2099 |
53.7 |
0.4 |
0.806 |
1 |
0 |
0 |
0.002 |
63 |
|
H |
8 |
3 |
2978 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2141 |
50.5 |
0.3 |
0.796 |
1 |
0 |
0 |
0.002 |
64 |
|
B |
3 |
1 |
2911 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2098 |
36.6 |
-0.7 |
0.445 |
0 |
0 |
0 |
0.002 |
65 |
|
D |
4 |
2 |
2906 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
1930 |
36.6 |
0.1 |
0.682 |
0 |
0 |
0 |
0.002 |
66 |
|
F |
4 |
3 |
2830 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
2052 |
29.3 |
-0.3 |
0.604 |
0 |
0 |
0 |
0.002 |
67 |
|
J |
4 |
3 |
2810 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
2076 |
16.8 |
0.4 |
0.836 |
0 |
0 |
0 |
0.002 |
Average: |
37.3 |
0.0 |
0.695 |
0 |
0 |
0 |
0.002 |
31 |
68 |
|
C |
6 |
2 |
2098 |
◊ |
J |
-x,y-1/2,-z+3 |
2_548 |
8 |
3 |
2810 |
52.4 |
1.1 |
0.917 |
1 |
0 |
0 |
0.000 |
32 |
69 |
|
D |
5 |
2 |
2906 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
7 |
2 |
2141 |
51.4 |
0.4 |
0.811 |
1 |
0 |
0 |
0.000 |
33 |
70 |
|
[NA]K:102 |
1 |
1 |
125 |
f |
E |
-x,y-1/2,-z+2 |
2_547 |
7 |
4 |
2141 |
50.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.096 |
34 |
71 |
|
L |
3 |
1 |
2914 |
◊ |
G |
x-1,y,z |
1_455 |
10 |
3 |
2052 |
49.8 |
-0.6 |
0.411 |
0 |
0 |
0 |
0.000 |
35 |
72 |
|
C |
10 |
5 |
2098 |
f |
[NA]I:102 |
-x,y-1/2,-z+3 |
2_548 |
1 |
1 |
125 |
47.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.100 |
73 |
|
[NA]E:102 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
2141 |
42.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.100 |
36 |
74 |
|
[NA]J:101 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
3 |
2810 |
45.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.269 |
37 |
75 |
|
[NA]F:101 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
2830 |
43.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.366 |
38 |
76 |
|
[GOL]J:102 |
5 |
1 |
219 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
2810 |
40.5 |
0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
39 |
77 |
|
G |
4 |
2 |
2052 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
1930 |
38.8 |
-0.9 |
0.484 |
0 |
0 |
0 |
0.018 |
78 |
|
I |
3 |
1 |
2099 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2098 |
34.1 |
-1.1 |
0.301 |
0 |
0 |
0 |
0.018 |
79 |
|
K |
3 |
1 |
2076 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2141 |
25.6 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.018 |
Average: |
32.8 |
-0.9 |
0.381 |
0 |
0 |
0 |
0.018 |
40 |
80 |
|
[NA]K:102 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
6 |
2 |
2076 |
36.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.021 |
41 |
81 |
|
C |
9 |
4 |
2098 |
◊ |
[NA]F:102 |
-x,y-1/2,-z+3 |
2_548 |
1 |
1 |
125 |
35.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.059 |
42 |
82 |
|
[ACN]L:101 |
4 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
2098 |
35.4 |
1.0 |
0.285 |
0 |
0 |
0 |
0.000 |
43 |
83 |
|
K |
6 |
1 |
2076 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
2 |
1 |
2978 |
34.8 |
-0.8 |
0.353 |
0 |
0 |
0 |
0.000 |
44 |
84 |
|
[CL]H:101 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
2978 |
34.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.189 |
85 |
|
[CL]H:101 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
2906 |
34.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.189 |
86 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
2911 |
33.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.189 |
87 |
|
[CL]H:101 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
2914 |
33.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.189 |
88 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
2830 |
32.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.189 |
89 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
2810 |
32.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.189 |
Average: |
33.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.189 |
45 |
90 |
|
[GOL]J:102 |
4 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
2830 |
32.9 |
-0.5 |
0.552 |
0 |
0 |
0 |
0.006 |
46 |
91 |
|
K |
3 |
1 |
2076 |
◊ |
G |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
2052 |
31.5 |
0.7 |
0.860 |
1 |
0 |
0 |
0.000 |
47 |
92 |
|
D |
2 |
1 |
2906 |
f |
[NA]F:102 |
-x,y-1/2,-z+3 |
2_548 |
1 |
1 |
125 |
29.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.161 |
48 |
93 |
|
[NA]F:102 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
2830 |
28.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
94 |
|
[NA]F:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
2911 |
16.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
95 |
|
[NA]F:102 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
2810 |
15.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
20.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
96 |
|
L |
4 |
1 |
2914 |
◊ |
[NA]E:102 |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
125 |
28.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.034 |
97 |
|
[NA]I:102 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
2810 |
19.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
23.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.034 |
50 |
98 |
|
[GOL]J:102 |
4 |
1 |
219 |
f |
[NA]J:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.130 |
51 |
99 |
|
[ZN]D:101 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
2914 |
26.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.495 |
100 |
|
[ZN]D:101 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
2906 |
25.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.495 |
101 |
|
[ZN]D:101 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
2978 |
25.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.495 |
102 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
2810 |
24.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.495 |
103 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
2911 |
23.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.495 |
104 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
2830 |
22.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.495 |
Average: |
24.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.495 |
52 |
105 |
|
C |
4 |
2 |
2098 |
◊ |
F |
-x,y-1/2,-z+3 |
2_548 |
5 |
3 |
2830 |
26.1 |
-0.3 |
0.637 |
0 |
0 |
0 |
0.000 |
53 |
106 |
|
[GOL]J:102 |
3 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
2911 |
25.0 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
54 |
107 |
|
[GOL]J:102 |
4 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
2906 |
24.6 |
0.3 |
0.729 |
0 |
0 |
0 |
0.000 |
55 |
108 |
|
[GOL]J:102 |
2 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
2978 |
23.1 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.000 |
56 |
109 |
|
[NA]I:102 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
2099 |
22.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
110 |
|
K |
3 |
2 |
2076 |
◊ |
[NA]E:102 |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
125 |
20.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
21.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
57 |
111 |
|
[NA]K:102 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
2978 |
22.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.027 |
58 |
112 |
|
[GOL]J:102 |
3 |
1 |
219 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
2914 |
21.5 |
-0.1 |
0.583 |
0 |
0 |
0 |
0.007 |
59 |
113 |
|
D |
2 |
1 |
2906 |
◊ |
F |
-x,y-1/2,-z+3 |
2_548 |
1 |
1 |
2830 |
20.0 |
0.5 |
0.872 |
0 |
0 |
0 |
0.000 |
60 |
114 |
|
[GOL]J:102 |
2 |
1 |
219 |
◊ |
[NA]F:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.025 |
61 |
115 |
|
[IPH]C:101 |
3 |
1 |
234 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
2810 |
19.6 |
0.2 |
0.422 |
0 |
0 |
0 |
0.000 |
62 |
116 |
|
[NA]F:101 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
2914 |
18.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.029 |
63 |
117 |
|
D |
1 |
1 |
2906 |
◊ |
F |
-x,y-1/2,-z+2 |
2_547 |
2 |
1 |
2830 |
18.8 |
0.5 |
0.869 |
0 |
0 |
0 |
0.000 |
64 |
118 |
|
[ACN]L:101 |
4 |
1 |
197 |
f |
E |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
2141 |
18.6 |
0.6 |
0.252 |
0 |
0 |
0 |
0.000 |
65 |
119 |
|
[NA]F:101 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
2810 |
18.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.022 |
66 |
120 |
|
[IPH]K:101 |
2 |
1 |
235 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
2830 |
18.4 |
0.2 |
0.068 |
0 |
0 |
0 |
0.000 |
121 |
|
[IPH]G:101 |
2 |
1 |
234 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
2911 |
17.4 |
0.2 |
0.614 |
0 |
0 |
0 |
0.000 |
Average: |
17.9 |
0.2 |
0.341 |
0 |
0 |
0 |
0.000 |
67 |
122 |
|
[IPH]I:101 |
2 |
1 |
236 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
2906 |
18.3 |
0.2 |
0.085 |
0 |
0 |
0 |
0.000 |
123 |
|
[IPH]A:101 |
3 |
1 |
235 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
2978 |
16.8 |
0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
Average: |
17.6 |
0.2 |
0.272 |
0 |
0 |
0 |
0.000 |
68 |
124 |
|
[CL]H:101 |
1 |
1 |
125 |
f |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.141 |
69 |
125 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.105 |
70 |
126 |
|
D |
1 |
1 |
2906 |
◊ |
[NA]I:102 |
-x,y-1/2,-z+3 |
2_548 |
1 |
1 |
125 |
17.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.019 |
127 |
|
[NA]E:102 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
2830 |
14.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
16.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.019 |
71 |
128 |
|
[NA]J:101 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
2830 |
16.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.025 |
72 |
129 |
|
[IPH]E:101 |
2 |
1 |
236 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
2914 |
16.8 |
0.2 |
0.441 |
0 |
0 |
0 |
0.000 |
73 |
130 |
|
[NA]J:101 |
1 |
1 |
125 |
◊ |
[NA]F:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.029 |
74 |
131 |
|
L |
1 |
1 |
2914 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
2 |
1 |
2978 |
12.0 |
-0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
75 |
132 |
|
I |
2 |
1 |
2099 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
2978 |
8.6 |
0.1 |
0.754 |
0 |
0 |
0 |
0.000 |
76 |
133 |
|
H |
4 |
2 |
2978 |
◊ |
[NA]E:102 |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
125 |
8.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.010 |
134 |
|
[NA]I:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2911 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
4.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
77 |
135 |
|
[NA]J:101 |
1 |
1 |
125 |
◊ |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.025 |
78 |
136 |
|
[NA]I:102 |
1 |
1 |
125 |
◊ |
[NA]F:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
79 |
137 |
|
[NA]J:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
2911 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
80 |
138 |
|
[NA]F:101 |
1 |
1 |
125 |
f |
[IPH]E:101 |
x,y,z |
1_555 |
1 |
1 |
236 |
1.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.008 |
81 |
139 |
|
[GOL]J:102 |
1 |
1 |
219 |
◊ |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
82 |
140 |
|
J |
1 |
1 |
2810 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
2978 |
1.1 |
0.0 |
0.682 |
0 |
0 |
0 |
0.000 |
83 |
141 |
|
[NA]J:101 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
2914 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
|