## |
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 |
|
H |
75 |
17 |
3241 |
◊ |
F |
x,y,z |
1_555 |
77 |
18 |
3271 |
714.3 |
-10.0 |
0.803 |
6 |
0 |
0 |
1.000 |
2 |
|
D |
74 |
18 |
3290 |
◊ |
B |
x,y,z |
1_555 |
71 |
18 |
3207 |
707.2 |
-10.1 |
0.732 |
7 |
1 |
0 |
1.000 |
3 |
|
L |
75 |
18 |
3287 |
◊ |
J |
x,y,z |
1_555 |
71 |
18 |
3111 |
681.1 |
-9.6 |
0.770 |
6 |
0 |
0 |
1.000 |
Average: |
700.9 |
-9.9 |
0.768 |
6 |
0 |
0 |
1.000 |
2 |
4 |
|
J |
62 |
17 |
3111 |
◊ |
I |
x,y,z |
1_555 |
60 |
14 |
2183 |
629.8 |
-12.3 |
0.354 |
7 |
1 |
2 |
0.997 |
5 |
|
B |
65 |
16 |
3207 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
2151 |
623.6 |
-11.7 |
0.354 |
9 |
1 |
2 |
0.997 |
6 |
|
L |
60 |
18 |
3287 |
◊ |
K |
x,y,z |
1_555 |
54 |
14 |
2103 |
590.6 |
-12.0 |
0.354 |
3 |
2 |
2 |
0.997 |
7 |
|
F |
66 |
17 |
3271 |
◊ |
E |
x,y,z |
1_555 |
55 |
12 |
2134 |
587.2 |
-11.8 |
0.359 |
8 |
0 |
2 |
0.997 |
8 |
|
D |
54 |
16 |
3290 |
◊ |
C |
x,y,z |
1_555 |
56 |
13 |
2093 |
575.6 |
-11.1 |
0.438 |
5 |
2 |
2 |
0.997 |
9 |
|
H |
56 |
18 |
3241 |
◊ |
G |
x,y,z |
1_555 |
50 |
13 |
2055 |
566.6 |
-11.4 |
0.284 |
5 |
1 |
2 |
0.997 |
Average: |
595.6 |
-11.7 |
0.357 |
6 |
1 |
2 |
0.997 |
3 |
10 |
|
E |
30 |
8 |
2134 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
25 |
5 |
3241 |
253.8 |
-1.5 |
0.804 |
3 |
0 |
0 |
0.000 |
4 |
11 |
|
B |
24 |
5 |
3207 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
27 |
8 |
2093 |
253.3 |
-1.6 |
0.788 |
4 |
0 |
0 |
0.000 |
5 |
12 |
|
J |
16 |
4 |
3111 |
◊ |
G |
x,y,z-1 |
1_554 |
25 |
7 |
2055 |
165.5 |
-1.5 |
0.637 |
0 |
0 |
0 |
0.000 |
6 |
13 |
|
I |
22 |
6 |
2183 |
◊ |
G |
x,y,z-1 |
1_554 |
18 |
5 |
2055 |
165.1 |
-0.6 |
0.810 |
1 |
1 |
0 |
0.000 |
7 |
14 |
|
F |
19 |
3 |
3271 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
2151 |
159.6 |
-2.9 |
0.566 |
1 |
0 |
0 |
0.072 |
15 |
|
D |
18 |
3 |
3290 |
◊ |
G |
x,y,z |
1_555 |
17 |
6 |
2055 |
151.3 |
-3.2 |
0.484 |
0 |
0 |
0 |
0.072 |
16 |
|
H |
17 |
3 |
3241 |
◊ |
K |
x,y,z |
1_555 |
18 |
7 |
2103 |
150.1 |
-2.9 |
0.536 |
1 |
0 |
0 |
0.072 |
17 |
|
J |
16 |
3 |
3111 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
2134 |
142.6 |
-3.0 |
0.461 |
1 |
0 |
0 |
0.072 |
18 |
|
B |
18 |
3 |
3207 |
◊ |
I |
x,y,z |
1_555 |
17 |
6 |
2183 |
139.6 |
-2.7 |
0.536 |
1 |
0 |
0 |
0.072 |
19 |
|
L |
17 |
3 |
3287 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
2093 |
133.0 |
-3.4 |
0.486 |
0 |
0 |
0 |
0.072 |
Average: |
146.0 |
-3.0 |
0.512 |
1 |
0 |
0 |
0.072 |
8 |
20 |
|
J |
17 |
6 |
3111 |
◊ |
F |
x,y,z |
1_555 |
21 |
5 |
3271 |
151.0 |
-3.2 |
0.465 |
0 |
0 |
0 |
0.090 |
21 |
|
L |
13 |
5 |
3287 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
3290 |
136.7 |
-2.4 |
0.443 |
0 |
0 |
0 |
0.090 |
22 |
|
H |
15 |
4 |
3241 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
3290 |
109.2 |
-2.1 |
0.477 |
0 |
0 |
0 |
0.090 |
23 |
|
L |
15 |
4 |
3287 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
3241 |
103.1 |
-2.7 |
0.409 |
0 |
0 |
0 |
0.090 |
24 |
|
J |
14 |
5 |
3111 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
3207 |
101.2 |
-1.8 |
0.540 |
0 |
0 |
0 |
0.090 |
25 |
|
F |
12 |
5 |
3271 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
3207 |
98.5 |
-2.0 |
0.511 |
0 |
0 |
0 |
0.090 |
Average: |
116.6 |
-2.4 |
0.474 |
0 |
0 |
0 |
0.090 |
9 |
26 |
|
E |
13 |
4 |
2134 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
13 |
4 |
3287 |
103.5 |
1.1 |
0.918 |
2 |
0 |
0 |
0.000 |
10 |
27 |
|
J |
12 |
5 |
3111 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
3290 |
101.2 |
-2.7 |
0.431 |
0 |
0 |
0 |
0.050 |
28 |
|
L |
14 |
4 |
3287 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
3271 |
93.2 |
-2.8 |
0.389 |
0 |
0 |
0 |
0.050 |
29 |
|
H |
12 |
4 |
3241 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
3207 |
92.9 |
-2.4 |
0.445 |
0 |
0 |
0 |
0.050 |
Average: |
95.8 |
-2.6 |
0.422 |
0 |
0 |
0 |
0.050 |
11 |
30 |
|
E |
13 |
4 |
2134 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
8 |
3 |
2103 |
83.9 |
-0.5 |
0.658 |
1 |
0 |
0 |
0.000 |
12 |
31 |
|
F |
8 |
2 |
3271 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
8 |
3 |
2103 |
82.1 |
-1.0 |
0.627 |
1 |
0 |
0 |
0.000 |
13 |
32 |
|
F |
10 |
3 |
3271 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
9 |
4 |
3287 |
81.7 |
0.9 |
0.887 |
0 |
0 |
0 |
0.000 |
14 |
33 |
|
[RCO]C:22 |
7 |
1 |
251 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
2093 |
81.7 |
1.4 |
0.070 |
2 |
0 |
0 |
0.000 |
15 |
34 |
|
[RCO]G:22 |
8 |
1 |
249 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
2055 |
75.3 |
1.4 |
0.793 |
2 |
0 |
0 |
0.000 |
35 |
|
[RCO]K:22 |
7 |
1 |
246 |
◊ |
K |
x,y,z |
1_555 |
13 |
6 |
2103 |
74.5 |
1.4 |
0.063 |
2 |
0 |
0 |
0.000 |
36 |
|
[RCO]E:22 |
7 |
1 |
248 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
2134 |
74.3 |
1.4 |
0.060 |
2 |
0 |
0 |
0.000 |
37 |
|
[RCO]A:22 |
7 |
1 |
246 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
2151 |
74.2 |
1.4 |
0.062 |
2 |
0 |
0 |
0.000 |
38 |
|
[RCO]I:22 |
7 |
1 |
246 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
2183 |
73.3 |
1.3 |
0.059 |
2 |
0 |
0 |
0.000 |
Average: |
74.3 |
1.4 |
0.207 |
2 |
0 |
0 |
0.000 |
16 |
39 |
|
A |
10 |
4 |
2151 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
9 |
2 |
2093 |
74.7 |
-1.5 |
0.537 |
0 |
0 |
0 |
0.000 |
17 |
40 |
|
J |
9 |
3 |
3111 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
2093 |
74.3 |
0.6 |
0.862 |
0 |
0 |
0 |
0.000 |
18 |
41 |
|
[RCO]C:22 |
8 |
1 |
251 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
3290 |
74.2 |
1.1 |
0.029 |
0 |
0 |
0 |
0.000 |
42 |
|
[RCO]G:22 |
8 |
1 |
249 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
3241 |
72.8 |
1.2 |
0.042 |
0 |
0 |
0 |
0.000 |
43 |
|
[RCO]A:22 |
8 |
1 |
246 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
3207 |
72.8 |
1.2 |
0.032 |
0 |
0 |
0 |
0.000 |
44 |
|
[RCO]E:22 |
8 |
1 |
248 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
3271 |
71.4 |
1.1 |
0.038 |
0 |
0 |
0 |
0.000 |
45 |
|
[RCO]K:22 |
7 |
1 |
246 |
◊ |
L |
x,y,z |
1_555 |
12 |
4 |
3287 |
71.0 |
1.0 |
0.081 |
0 |
0 |
0 |
0.000 |
46 |
|
[RCO]I:22 |
8 |
1 |
246 |
◊ |
J |
x,y,z |
1_555 |
11 |
4 |
3111 |
70.1 |
1.1 |
0.034 |
0 |
0 |
0 |
0.000 |
Average: |
72.1 |
1.1 |
0.043 |
0 |
0 |
0 |
0.000 |
19 |
47 |
|
L |
7 |
2 |
3287 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
2134 |
71.2 |
-2.0 |
0.215 |
0 |
0 |
0 |
0.031 |
48 |
|
H |
8 |
2 |
3241 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
2151 |
62.9 |
-1.6 |
0.299 |
0 |
0 |
0 |
0.031 |
49 |
|
D |
9 |
2 |
3290 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
2183 |
59.2 |
-1.5 |
0.320 |
0 |
0 |
0 |
0.031 |
50 |
|
B |
9 |
2 |
3207 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
2055 |
59.1 |
-1.6 |
0.317 |
0 |
0 |
0 |
0.031 |
51 |
|
F |
10 |
3 |
3271 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
2103 |
57.6 |
-1.6 |
0.343 |
0 |
0 |
0 |
0.031 |
52 |
|
J |
10 |
2 |
3111 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
2093 |
57.5 |
-1.5 |
0.350 |
0 |
0 |
0 |
0.031 |
Average: |
61.3 |
-1.7 |
0.308 |
0 |
0 |
0 |
0.031 |
20 |
53 |
|
F |
7 |
1 |
3271 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
2183 |
70.3 |
-0.9 |
0.572 |
0 |
0 |
0 |
0.000 |
21 |
54 |
|
I |
7 |
3 |
2183 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
10 |
3 |
2093 |
70.3 |
-0.4 |
0.651 |
1 |
0 |
0 |
0.000 |
22 |
55 |
|
[RCO]I:22 |
8 |
1 |
246 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
3207 |
66.5 |
0.8 |
0.630 |
0 |
0 |
0 |
0.000 |
56 |
|
[RCO]K:22 |
8 |
1 |
246 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
3241 |
66.0 |
0.8 |
0.632 |
0 |
0 |
0 |
0.000 |
57 |
|
[RCO]A:22 |
8 |
1 |
246 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
3271 |
65.5 |
0.8 |
0.638 |
1 |
0 |
0 |
0.000 |
58 |
|
[RCO]G:22 |
8 |
1 |
249 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
3290 |
60.9 |
0.8 |
0.663 |
0 |
0 |
0 |
0.000 |
59 |
|
[RCO]C:22 |
8 |
1 |
251 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
3287 |
59.5 |
0.8 |
0.646 |
1 |
0 |
0 |
0.000 |
Average: |
63.7 |
0.8 |
0.642 |
0 |
0 |
0 |
0.000 |
23 |
60 |
|
J |
8 |
2 |
3111 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
8 |
1 |
3290 |
66.4 |
0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
24 |
61 |
|
[RCO]E:22 |
8 |
1 |
248 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
3111 |
62.6 |
0.8 |
0.690 |
1 |
0 |
0 |
0.000 |
25 |
62 |
|
L |
3 |
1 |
3287 |
◊ |
G |
x,y,z-1 |
1_554 |
6 |
3 |
2055 |
55.9 |
-0.5 |
0.352 |
0 |
0 |
0 |
0.000 |
26 |
63 |
|
D |
5 |
3 |
3290 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
2151 |
54.5 |
0.2 |
0.668 |
0 |
0 |
0 |
0.001 |
64 |
|
L |
7 |
3 |
3287 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
2183 |
53.2 |
0.4 |
0.799 |
0 |
0 |
0 |
0.001 |
65 |
|
H |
5 |
3 |
3241 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
2134 |
51.5 |
0.1 |
0.679 |
0 |
0 |
0 |
0.001 |
66 |
|
F |
6 |
3 |
3271 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
2055 |
34.5 |
0.3 |
0.819 |
1 |
0 |
0 |
0.001 |
67 |
|
B |
2 |
2 |
3207 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2093 |
23.4 |
0.1 |
0.635 |
0 |
0 |
0 |
0.001 |
68 |
|
J |
4 |
2 |
3111 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
2103 |
20.4 |
0.5 |
0.866 |
0 |
0 |
0 |
0.001 |
Average: |
39.6 |
0.3 |
0.744 |
0 |
0 |
0 |
0.001 |
27 |
69 |
|
E |
8 |
1 |
2134 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
7 |
3 |
2055 |
53.5 |
-0.6 |
0.630 |
0 |
0 |
0 |
0.000 |
28 |
70 |
|
H |
5 |
4 |
3241 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
4 |
2 |
3287 |
51.7 |
-1.0 |
0.486 |
0 |
0 |
0 |
0.000 |
29 |
71 |
|
J |
6 |
2 |
3111 |
◊ |
H |
x,y,z-1 |
1_554 |
4 |
1 |
3241 |
47.0 |
1.4 |
0.915 |
0 |
0 |
0 |
0.000 |
30 |
72 |
|
F |
6 |
3 |
3271 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
8 |
2 |
2093 |
46.9 |
0.3 |
0.820 |
1 |
0 |
0 |
0.000 |
31 |
73 |
|
[CL]L:1002 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
3287 |
35.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.153 |
74 |
|
[CL]J:1002 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
3271 |
34.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.153 |
75 |
|
[CL]L:1002 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
3290 |
34.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.153 |
76 |
|
[CL]L:1002 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
3241 |
33.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.153 |
77 |
|
[CL]J:1002 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
3207 |
33.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.153 |
78 |
|
[CL]J:1002 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
3111 |
33.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.153 |
Average: |
34.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.153 |
32 |
79 |
|
I |
3 |
1 |
2183 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2093 |
31.2 |
-1.0 |
0.269 |
0 |
0 |
0 |
0.008 |
80 |
|
K |
5 |
2 |
2103 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
2134 |
30.9 |
-0.9 |
0.377 |
0 |
0 |
0 |
0.008 |
81 |
|
G |
4 |
2 |
2055 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
2151 |
27.6 |
-0.8 |
0.429 |
0 |
0 |
0 |
0.008 |
Average: |
29.9 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.008 |
33 |
82 |
|
F |
1 |
1 |
3271 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
3290 |
27.1 |
0.6 |
0.893 |
0 |
0 |
0 |
0.000 |
34 |
83 |
|
[ZN]L:1001 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
3287 |
26.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.405 |
84 |
|
[ZN]J:1001 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
3271 |
26.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.405 |
85 |
|
[ZN]L:1001 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
3290 |
26.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.405 |
86 |
|
[ZN]L:1001 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
3241 |
25.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.405 |
87 |
|
[ZN]J:1001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
3207 |
25.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.405 |
88 |
|
[ZN]J:1001 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
3111 |
24.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.405 |
Average: |
25.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.405 |
35 |
89 |
|
H |
2 |
1 |
3241 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
4 |
1 |
2103 |
23.2 |
-0.5 |
0.466 |
0 |
0 |
0 |
0.000 |
36 |
90 |
|
[RCO]G:22 |
3 |
1 |
249 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
3207 |
21.8 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.100 |
91 |
|
[RCO]I:22 |
3 |
1 |
246 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
3290 |
20.6 |
-0.1 |
0.582 |
0 |
0 |
0 |
0.100 |
92 |
|
[RCO]E:22 |
1 |
1 |
248 |
f |
L |
x,y,z |
1_555 |
1 |
1 |
3287 |
20.0 |
-0.1 |
0.449 |
0 |
0 |
0 |
0.100 |
93 |
|
[RCO]K:22 |
3 |
1 |
246 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
3271 |
19.0 |
-0.1 |
0.612 |
0 |
0 |
0 |
0.100 |
94 |
|
[RCO]A:22 |
1 |
1 |
246 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
3241 |
14.0 |
-0.1 |
0.738 |
0 |
0 |
0 |
0.100 |
Average: |
19.1 |
-0.1 |
0.592 |
0 |
0 |
0 |
0.100 |
37 |
95 |
|
[RCO]C:22 |
2 |
1 |
251 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
3111 |
20.4 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.100 |
38 |
96 |
|
[CL]L:1002 |
1 |
1 |
125 |
f |
[ZN]L:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.100 |
39 |
97 |
|
[CL]J:1002 |
1 |
1 |
125 |
f |
[ZN]J:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.100 |
40 |
98 |
|
E |
4 |
2 |
2134 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
5 |
3 |
3290 |
15.8 |
-0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
41 |
99 |
|
F |
2 |
1 |
3271 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
3290 |
10.8 |
0.2 |
0.797 |
0 |
0 |
0 |
0.000 |
42 |
100 |
|
A |
3 |
1 |
2151 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
3290 |
6.2 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
43 |
101 |
|
I |
2 |
1 |
2183 |
◊ |
H |
x,y,z-1 |
1_554 |
1 |
1 |
3241 |
4.4 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
|