## |
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 |
|
[34S]G:203 |
39 |
1 |
797 |
f |
G |
x,y,z |
1_555 |
72 |
25 |
9635 |
556.0 |
-5.7 |
0.426 |
6 |
0 |
0 |
0.032 |
2 |
|
[34S]B:203 |
39 |
1 |
792 |
f |
B |
x,y,z |
1_555 |
71 |
25 |
9441 |
549.9 |
-6.6 |
0.365 |
6 |
0 |
0 |
0.032 |
3 |
|
[34S]A:203 |
39 |
1 |
778 |
f |
A |
x,y,z |
1_555 |
67 |
24 |
9544 |
544.1 |
-6.1 |
0.378 |
6 |
0 |
0 |
0.032 |
4 |
|
[34S]H:202 |
39 |
1 |
771 |
f |
H |
x,y,z |
1_555 |
68 |
23 |
9680 |
528.2 |
-7.1 |
0.303 |
5 |
0 |
0 |
0.032 |
5 |
|
[34S]E:203 |
39 |
1 |
789 |
f |
E |
x,y,z |
1_555 |
73 |
25 |
9552 |
406.3 |
-5.0 |
0.351 |
7 |
0 |
0 |
0.032 |
6 |
|
[34S]F:203 |
39 |
1 |
775 |
f |
F |
x,y,z |
1_555 |
64 |
23 |
9637 |
387.7 |
-3.8 |
0.366 |
5 |
0 |
0 |
0.032 |
Average: |
495.4 |
-5.7 |
0.365 |
6 |
0 |
0 |
0.032 |
2 |
7 |
|
[34R]D:203 |
39 |
1 |
794 |
f |
D |
x,y,z |
1_555 |
64 |
22 |
9586 |
547.9 |
-5.7 |
0.345 |
6 |
0 |
0 |
0.030 |
8 |
|
[34R]C:203 |
39 |
1 |
791 |
f |
C |
x,y,z |
1_555 |
69 |
24 |
9608 |
519.2 |
-6.3 |
0.282 |
5 |
0 |
0 |
0.030 |
9 |
|
[34R]F:204 |
39 |
1 |
785 |
f |
F |
x,y,z |
1_555 |
65 |
22 |
9637 |
424.3 |
-3.4 |
0.439 |
6 |
0 |
0 |
0.030 |
10 |
|
[34R]E:204 |
39 |
1 |
787 |
f |
E |
x,y,z |
1_555 |
68 |
24 |
9552 |
409.0 |
-5.6 |
0.329 |
5 |
0 |
0 |
0.030 |
Average: |
475.1 |
-5.3 |
0.349 |
6 |
0 |
0 |
0.030 |
3 |
11 |
|
G |
49 |
16 |
9635 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
34 |
6 |
9680 |
440.2 |
-1.9 |
0.372 |
3 |
0 |
0 |
0.000 |
12 |
|
F |
32 |
6 |
9637 |
◊ |
B |
x,y,z |
1_555 |
53 |
16 |
9441 |
422.5 |
-2.4 |
0.348 |
5 |
0 |
0 |
0.000 |
13 |
|
D |
52 |
15 |
9586 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
33 |
5 |
9552 |
421.9 |
-1.5 |
0.505 |
4 |
0 |
0 |
0.000 |
14 |
|
G |
32 |
5 |
9635 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
44 |
15 |
9608 |
411.8 |
-1.7 |
0.326 |
5 |
0 |
0 |
0.000 |
15 |
|
F |
45 |
16 |
9637 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
29 |
6 |
9544 |
391.2 |
-2.4 |
0.270 |
4 |
0 |
0 |
0.000 |
16 |
|
E |
46 |
15 |
9552 |
◊ |
B |
x,y,z |
1_555 |
26 |
5 |
9441 |
379.8 |
-4.3 |
0.144 |
5 |
0 |
0 |
0.000 |
Average: |
411.2 |
-2.4 |
0.328 |
4 |
0 |
0 |
0.000 |
4 |
17 |
|
A |
47 |
10 |
9544 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
47 |
12 |
9552 |
414.7 |
-0.6 |
0.608 |
1 |
1 |
0 |
0.000 |
18 |
|
H |
48 |
12 |
9680 |
◊ |
B |
x,y,z |
1_555 |
47 |
10 |
9441 |
400.2 |
-0.4 |
0.654 |
5 |
1 |
0 |
0.000 |
19 |
|
D |
48 |
9 |
9586 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
47 |
12 |
9608 |
397.8 |
-1.1 |
0.571 |
3 |
1 |
0 |
0.000 |
20 |
|
C |
45 |
10 |
9608 |
◊ |
A |
x,y,z |
1_555 |
43 |
10 |
9544 |
378.4 |
-1.8 |
0.473 |
4 |
1 |
0 |
0.000 |
21 |
|
G |
43 |
12 |
9635 |
◊ |
F |
x,y,z |
1_555 |
46 |
10 |
9637 |
371.5 |
-1.9 |
0.494 |
4 |
0 |
0 |
0.000 |
22 |
|
E |
49 |
10 |
9552 |
◊ |
D |
x,y,z |
1_555 |
43 |
11 |
9586 |
371.0 |
-1.4 |
0.548 |
2 |
0 |
0 |
0.000 |
23 |
|
G |
48 |
10 |
9635 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
10 |
9637 |
347.6 |
-3.0 |
0.385 |
3 |
0 |
0 |
0.000 |
24 |
|
B |
40 |
11 |
9441 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
43 |
8 |
9680 |
339.1 |
-2.8 |
0.432 |
1 |
0 |
0 |
0.000 |
Average: |
377.5 |
-1.6 |
0.521 |
3 |
1 |
0 |
0.000 |
5 |
25 |
|
A |
48 |
15 |
9544 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
34 |
5 |
9608 |
411.0 |
-2.9 |
0.368 |
3 |
0 |
0 |
0.000 |
26 |
|
D |
27 |
5 |
9586 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
41 |
13 |
9680 |
386.4 |
-3.1 |
0.207 |
5 |
0 |
0 |
0.000 |
Average: |
398.7 |
-3.0 |
0.288 |
4 |
0 |
0 |
0.000 |
6 |
27 |
|
[34R]E:204 |
37 |
1 |
787 |
f |
[34S]E:203 |
x,y,z |
1_555 |
39 |
1 |
789 |
281.3 |
-2.4 |
0.731 |
0 |
0 |
0 |
0.006 |
28 |
|
[34R]F:204 |
35 |
1 |
785 |
f |
[34S]F:203 |
x,y,z |
1_555 |
37 |
1 |
775 |
274.3 |
-1.9 |
0.705 |
0 |
0 |
0 |
0.006 |
Average: |
277.8 |
-2.2 |
0.718 |
0 |
0 |
0 |
0.006 |
7 |
29 |
|
C |
28 |
8 |
9608 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
27 |
8 |
9552 |
280.4 |
-2.3 |
0.375 |
3 |
0 |
0 |
0.000 |
30 |
|
H |
27 |
8 |
9680 |
◊ |
F |
x,y,z |
1_555 |
31 |
8 |
9637 |
275.2 |
-3.5 |
0.265 |
2 |
0 |
0 |
0.000 |
31 |
|
G |
30 |
8 |
9635 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
30 |
8 |
9544 |
258.8 |
-3.2 |
0.300 |
2 |
0 |
0 |
0.000 |
32 |
|
D |
30 |
8 |
9586 |
◊ |
B |
x,y,z |
1_555 |
31 |
7 |
9441 |
248.9 |
-3.1 |
0.314 |
2 |
0 |
0 |
0.000 |
Average: |
265.8 |
-3.0 |
0.314 |
2 |
0 |
0 |
0.000 |
8 |
33 |
|
F |
31 |
11 |
9637 |
◊ |
H |
x-1,y,z |
1_455 |
25 |
10 |
9680 |
215.4 |
3.9 |
0.912 |
1 |
0 |
0 |
0.000 |
9 |
34 |
|
B |
26 |
11 |
9441 |
◊ |
A |
x,y,z |
1_555 |
25 |
12 |
9544 |
195.9 |
2.6 |
0.871 |
2 |
1 |
0 |
0.000 |
10 |
35 |
|
A |
23 |
5 |
9544 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
5 |
9680 |
168.1 |
-0.5 |
0.584 |
2 |
0 |
0 |
0.000 |
11 |
36 |
|
E |
20 |
5 |
9552 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
23 |
7 |
9586 |
166.8 |
-1.2 |
0.428 |
1 |
0 |
0 |
0.000 |
37 |
|
C |
21 |
6 |
9608 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
9441 |
149.8 |
-0.2 |
0.560 |
2 |
0 |
0 |
0.000 |
Average: |
158.3 |
-0.7 |
0.494 |
2 |
0 |
0 |
0.000 |
12 |
38 |
|
H |
15 |
5 |
9680 |
x |
C |
x,y,z |
1_555 |
13 |
5 |
9608 |
139.7 |
-1.1 |
0.364 |
0 |
0 |
0 |
0.000 |
39 |
|
D |
8 |
4 |
9586 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
9586 |
67.5 |
0.3 |
0.679 |
1 |
0 |
0 |
0.000 |
Average: |
103.6 |
-0.4 |
0.521 |
1 |
0 |
0 |
0.000 |
13 |
40 |
|
H |
9 |
4 |
9680 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
9552 |
134.1 |
-0.9 |
0.246 |
2 |
0 |
0 |
0.000 |
41 |
|
F |
15 |
5 |
9637 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
9552 |
117.9 |
-1.4 |
0.102 |
1 |
0 |
0 |
0.000 |
42 |
|
G |
12 |
5 |
9635 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
9441 |
95.7 |
-2.3 |
0.126 |
0 |
0 |
0 |
0.000 |
Average: |
115.9 |
-1.5 |
0.158 |
1 |
0 |
0 |
0.000 |
14 |
43 |
|
C |
16 |
5 |
9608 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
18 |
6 |
9544 |
133.2 |
-0.1 |
0.581 |
1 |
0 |
0 |
0.000 |
15 |
44 |
|
G |
12 |
6 |
9635 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
9441 |
125.3 |
-1.8 |
0.155 |
1 |
0 |
0 |
0.000 |
16 |
45 |
|
G |
17 |
6 |
9635 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
4 |
9544 |
102.2 |
-0.8 |
0.493 |
1 |
0 |
0 |
0.000 |
17 |
46 |
|
A |
16 |
5 |
9544 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
5 |
9544 |
101.3 |
-0.6 |
0.477 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
5 |
2 |
9608 |
x |
F |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
9637 |
36.8 |
0.2 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
69.0 |
-0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
18 |
48 |
|
G |
7 |
2 |
9635 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
3 |
9680 |
81.6 |
-0.2 |
0.592 |
1 |
0 |
0 |
0.000 |
49 |
|
G |
7 |
4 |
9635 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
9552 |
50.1 |
-0.2 |
0.564 |
0 |
0 |
0 |
0.000 |
Average: |
65.8 |
-0.2 |
0.578 |
1 |
0 |
0 |
0.000 |
19 |
50 |
|
F |
9 |
3 |
9637 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
9 |
3 |
9586 |
80.1 |
0.5 |
0.701 |
1 |
0 |
0 |
0.000 |
51 |
|
F |
8 |
4 |
9637 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
9441 |
55.5 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
Average: |
67.8 |
0.2 |
0.666 |
1 |
0 |
0 |
0.000 |
20 |
52 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
9544 |
78.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.042 |
53 |
|
[CL]C:202 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
9608 |
76.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.042 |
54 |
|
[CL]F:202 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
9637 |
76.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.042 |
55 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
9586 |
74.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.042 |
56 |
|
[CL]G:202 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
9635 |
73.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.042 |
57 |
|
[CL]E:202 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
9552 |
73.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.042 |
58 |
|
[CL]H:203 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
9680 |
72.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.042 |
59 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9441 |
71.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
74.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.042 |
21 |
60 |
|
C |
6 |
2 |
9608 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
9680 |
73.5 |
1.1 |
0.583 |
0 |
0 |
0 |
0.000 |
22 |
61 |
|
G |
4 |
3 |
9635 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
9586 |
44.1 |
1.0 |
0.842 |
0 |
0 |
0 |
0.000 |
23 |
62 |
|
[CA]G:201 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
9635 |
39.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.030 |
63 |
|
[CA]D:201 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
9586 |
39.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.030 |
64 |
|
[CA]C:201 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
9608 |
39.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.030 |
65 |
|
[CA]A:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9544 |
39.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.030 |
66 |
|
[CA]E:201 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
9552 |
39.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.030 |
67 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9441 |
38.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.030 |
68 |
|
[CA]H:201 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
9680 |
38.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.030 |
69 |
|
[CA]F:201 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
9637 |
38.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
39.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.030 |
24 |
70 |
|
F |
2 |
1 |
9637 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9544 |
34.1 |
1.1 |
0.896 |
3 |
3 |
0 |
0.000 |
25 |
71 |
|
F |
3 |
1 |
9637 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
9608 |
33.3 |
-0.4 |
0.341 |
0 |
0 |
0 |
0.000 |
26 |
72 |
|
B |
6 |
2 |
9441 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
9586 |
32.9 |
-0.1 |
0.543 |
0 |
0 |
0 |
0.000 |
73 |
|
F |
4 |
2 |
9637 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
9552 |
17.2 |
0.2 |
0.578 |
0 |
0 |
0 |
0.000 |
Average: |
25.1 |
0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
27 |
74 |
|
C |
6 |
5 |
9608 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
5 |
9552 |
29.4 |
1.1 |
0.821 |
0 |
0 |
0 |
0.000 |
75 |
|
G |
4 |
2 |
9635 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
9586 |
16.8 |
0.3 |
0.736 |
0 |
0 |
0 |
0.000 |
Average: |
23.1 |
0.7 |
0.778 |
0 |
0 |
0 |
0.000 |
28 |
76 |
|
[CA]F:201 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
9635 |
27.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
|
[CA]B:201 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
9680 |
26.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[CA]C:201 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9544 |
26.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
|
[CA]E:201 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9586 |
25.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
80 |
|
[CA]A:201 |
1 |
1 |
85 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
9552 |
25.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
|
[CA]D:201 |
1 |
1 |
85 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
9608 |
23.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
|
[CA]G:201 |
1 |
1 |
85 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
9637 |
23.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
|
B |
3 |
1 |
9441 |
◊ |
[CA]H:201 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
85 |
23.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
25.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
84 |
|
B |
2 |
1 |
9441 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
9608 |
23.6 |
0.9 |
0.875 |
0 |
0 |
0 |
0.000 |
30 |
85 |
|
[CL]G:202 |
1 |
1 |
125 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
9680 |
11.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
|
G |
2 |
1 |
9635 |
◊ |
[CL]C:202 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
125 |
10.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
87 |
|
[CL]E:202 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9441 |
9.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
88 |
|
[CL]D:202 |
1 |
1 |
125 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
9552 |
9.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
|
[CL]A:202 |
1 |
1 |
125 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
9608 |
8.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
90 |
|
D |
1 |
1 |
9586 |
◊ |
[CL]H:203 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
7.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
91 |
|
[CL]F:202 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
9544 |
6.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
92 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
9637 |
6.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
93 |
|
[34R]C:203 |
2 |
1 |
791 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
9680 |
10.0 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
32 |
94 |
|
H |
1 |
1 |
9680 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
9586 |
5.8 |
0.3 |
0.826 |
0 |
0 |
0 |
0.000 |
33 |
95 |
|
H |
1 |
1 |
9680 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
9552 |
1.4 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
|