| ## |
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 |
47 |
16 |
5006 |
◊ |
G |
x,y,z |
1_555 |
49 |
16 |
4912 |
492.7 |
0.0 |
0.653 |
5 |
10 |
0 |
0.194 |
2 |
|
L |
41 |
15 |
5068 |
◊ |
L |
-x+1,-y,z |
2_655 |
40 |
15 |
5068 |
462.9 |
-1.8 |
0.513 |
4 |
8 |
0 |
0.194 |
3 |
|
K |
39 |
15 |
5038 |
◊ |
K |
-x+1,-y,z |
2_655 |
40 |
15 |
5038 |
393.1 |
-0.3 |
0.624 |
4 |
8 |
0 |
0.194 |
| Average: |
449.6 |
-0.7 |
0.597 |
4 |
9 |
0 |
0.194 |
| 2 |
4 |
|
J |
48 |
16 |
5035 |
◊ |
I |
x,y,z |
1_555 |
51 |
16 |
5119 |
449.7 |
0.4 |
0.673 |
4 |
9 |
0 |
0.117 |
| 3 |
5 |
|
G |
53 |
13 |
4912 |
◊ |
D |
-x+3/2,y-1/2,-z+2 |
3_647 |
42 |
14 |
5008 |
445.3 |
0.4 |
0.609 |
8 |
3 |
0 |
0.000 |
6 |
|
K |
51 |
13 |
5038 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
36 |
12 |
5161 |
397.5 |
0.1 |
0.616 |
4 |
3 |
0 |
0.000 |
| Average: |
421.4 |
0.3 |
0.612 |
6 |
3 |
0 |
0.000 |
| 4 |
7 |
|
C |
34 |
11 |
5092 |
◊ |
J |
x-1/2,-y+1/2,-z+1 |
4_456 |
49 |
14 |
5035 |
417.0 |
0.6 |
0.703 |
7 |
4 |
0 |
0.000 |
8 |
|
H |
51 |
15 |
5006 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
5167 |
412.8 |
0.1 |
0.621 |
5 |
4 |
0 |
0.000 |
9 |
|
L |
50 |
15 |
5068 |
◊ |
F |
x,y,z |
1_555 |
36 |
11 |
5016 |
395.5 |
-1.0 |
0.578 |
5 |
4 |
0 |
0.000 |
10 |
|
I |
49 |
14 |
5119 |
◊ |
E |
x,y,z |
1_555 |
33 |
10 |
4946 |
385.8 |
1.0 |
0.715 |
5 |
4 |
0 |
0.000 |
| Average: |
402.8 |
0.2 |
0.654 |
6 |
4 |
0 |
0.000 |
| 5 |
11 |
|
B |
37 |
9 |
5167 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
5161 |
392.8 |
-3.7 |
0.272 |
3 |
0 |
0 |
0.000 |
12 |
|
C |
50 |
15 |
5092 |
◊ |
A |
x,y,z |
1_555 |
35 |
9 |
5161 |
370.7 |
-3.6 |
0.282 |
3 |
0 |
0 |
0.000 |
13 |
|
C |
37 |
10 |
5092 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
5167 |
364.0 |
-3.4 |
0.284 |
4 |
1 |
0 |
0.000 |
14 |
|
F |
45 |
13 |
5016 |
◊ |
D |
x,y,z |
1_555 |
33 |
10 |
5008 |
361.2 |
-3.5 |
0.234 |
3 |
0 |
0 |
0.000 |
15 |
|
F |
34 |
9 |
5016 |
◊ |
E |
x,y,z |
1_555 |
41 |
10 |
4946 |
349.5 |
-4.2 |
0.198 |
3 |
0 |
0 |
0.000 |
16 |
|
E |
35 |
9 |
4946 |
◊ |
D |
x,y,z |
1_555 |
44 |
12 |
5008 |
344.7 |
-2.9 |
0.247 |
4 |
0 |
0 |
0.000 |
| Average: |
363.8 |
-3.6 |
0.253 |
3 |
0 |
0 |
0.000 |
| 6 |
17 |
|
D |
40 |
13 |
5008 |
◊ |
J |
x-1/2,-y+1/2,-z+2 |
4_457 |
42 |
13 |
5035 |
374.1 |
1.8 |
0.752 |
9 |
4 |
0 |
0.000 |
18 |
|
G |
41 |
12 |
4912 |
◊ |
F |
x,y,z |
1_555 |
37 |
13 |
5016 |
359.7 |
1.1 |
0.727 |
9 |
4 |
0 |
0.000 |
19 |
|
K |
38 |
12 |
5038 |
◊ |
C |
x,y,z |
1_555 |
37 |
12 |
5092 |
356.1 |
1.1 |
0.719 |
9 |
6 |
0 |
0.000 |
| Average: |
363.3 |
1.3 |
0.733 |
9 |
5 |
0 |
0.000 |
| 7 |
20 |
|
H |
26 |
8 |
5006 |
◊ |
H |
-x+2,-y,z |
2_755 |
26 |
8 |
5006 |
292.5 |
-0.2 |
0.581 |
4 |
10 |
0 |
0.000 |
| 8 |
21 |
|
J |
25 |
7 |
5035 |
◊ |
I |
-x+2,-y+1,z |
2_765 |
28 |
10 |
5119 |
238.0 |
-0.4 |
0.559 |
5 |
0 |
0 |
0.000 |
| 9 |
22 |
|
I |
23 |
8 |
5119 |
◊ |
A |
x,y,z |
1_555 |
27 |
6 |
5161 |
219.6 |
2.2 |
0.814 |
3 |
0 |
0 |
0.000 |
| 10 |
23 |
|
I |
21 |
4 |
5119 |
◊ |
I |
-x+2,-y+1,z |
2_765 |
22 |
4 |
5119 |
186.6 |
-0.3 |
0.567 |
0 |
2 |
0 |
0.000 |
| 11 |
24 |
|
G |
17 |
6 |
4912 |
◊ |
E |
x,y,z |
1_555 |
15 |
4 |
4946 |
135.3 |
0.5 |
0.631 |
1 |
0 |
0 |
0.000 |
25 |
|
K |
22 |
6 |
5038 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
5167 |
131.8 |
0.4 |
0.673 |
1 |
1 |
0 |
0.000 |
26 |
|
F |
10 |
2 |
5016 |
◊ |
J |
x-1/2,-y+1/2,-z+2 |
4_457 |
19 |
6 |
5035 |
124.0 |
0.0 |
0.615 |
2 |
1 |
0 |
0.000 |
| Average: |
130.4 |
0.3 |
0.640 |
1 |
1 |
0 |
0.000 |
| 12 |
27 |
|
L |
17 |
7 |
5068 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
5167 |
129.9 |
0.2 |
0.567 |
1 |
1 |
0 |
0.000 |
| 13 |
28 |
|
L |
15 |
4 |
5068 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
13 |
3 |
5008 |
122.0 |
1.2 |
0.751 |
3 |
2 |
0 |
0.000 |
29 |
|
H |
15 |
6 |
5006 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
3_646 |
12 |
4 |
5092 |
100.8 |
1.4 |
0.774 |
3 |
1 |
0 |
0.000 |
| Average: |
111.4 |
1.3 |
0.763 |
3 |
2 |
0 |
0.000 |
| 14 |
30 |
|
[EDO]A:706 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
5161 |
114.9 |
3.7 |
0.642 |
3 |
0 |
0 |
0.000 |
| 15 |
31 |
|
[EDO]F:701 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
20 |
9 |
5016 |
114.6 |
3.9 |
0.655 |
3 |
0 |
0 |
0.000 |
32 |
|
[EDO]I:708 |
4 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
19 |
9 |
5119 |
110.2 |
3.8 |
0.649 |
3 |
0 |
0 |
0.000 |
| Average: |
112.4 |
3.8 |
0.652 |
3 |
0 |
0 |
0.000 |
| 16 |
33 |
|
[EDO]C:703 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
5092 |
114.1 |
4.6 |
0.759 |
3 |
0 |
0 |
0.000 |
| 17 |
34 |
|
[EDO]B:702 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
5167 |
113.4 |
4.4 |
0.749 |
2 |
0 |
0 |
0.000 |
| 18 |
35 |
|
[EDO]E:705 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
21 |
10 |
4946 |
112.2 |
4.5 |
0.745 |
3 |
0 |
0 |
0.000 |
| 19 |
36 |
|
L |
9 |
4 |
5068 |
◊ |
K |
x,y,z |
1_555 |
11 |
5 |
5038 |
109.6 |
-1.3 |
0.318 |
0 |
0 |
0 |
0.000 |
| 20 |
37 |
|
[EDO]J:711 |
4 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
16 |
6 |
5035 |
104.6 |
3.0 |
0.423 |
0 |
0 |
0 |
0.000 |
| 21 |
38 |
|
[EDO]F:710 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
14 |
9 |
5016 |
100.2 |
3.7 |
0.537 |
3 |
0 |
0 |
0.000 |
| 22 |
39 |
|
[FMT]L:806 |
3 |
1 |
149 |
f |
L |
x,y,z |
1_555 |
17 |
6 |
5068 |
87.9 |
-0.3 |
0.379 |
2 |
0 |
0 |
0.100 |
| 23 |
40 |
|
[EDO]F:713 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
5016 |
86.0 |
1.9 |
0.237 |
1 |
0 |
0 |
0.000 |
| 24 |
41 |
|
[FMT]I:805 |
3 |
1 |
149 |
f |
I |
x,y,z |
1_555 |
12 |
6 |
5119 |
81.5 |
0.6 |
0.449 |
0 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[EDO]C:714 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
5092 |
80.8 |
1.6 |
0.180 |
1 |
0 |
0 |
0.000 |
| 26 |
43 |
|
[EDO]A:712 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
5092 |
75.0 |
1.8 |
0.229 |
1 |
0 |
0 |
0.000 |
| 27 |
44 |
|
[EDO]C:709 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
5167 |
73.2 |
1.7 |
0.225 |
2 |
0 |
0 |
0.000 |
| 28 |
45 |
|
[EDO]E:704 |
4 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
4946 |
68.1 |
2.4 |
0.305 |
1 |
0 |
0 |
0.000 |
| 29 |
46 |
|
[FMT]D:803 |
3 |
1 |
148 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
5008 |
67.4 |
0.4 |
0.665 |
0 |
0 |
0 |
0.000 |
| 30 |
47 |
|
[EDO]C:709 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
5092 |
65.7 |
2.1 |
0.857 |
1 |
0 |
0 |
0.000 |
| 31 |
48 |
|
[FMT]C:802 |
3 |
1 |
149 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
5092 |
65.2 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
| 32 |
49 |
|
[EDO]E:704 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
5008 |
65.1 |
1.7 |
0.259 |
1 |
0 |
0 |
0.000 |
| 33 |
50 |
|
[ACT]K:901 |
4 |
1 |
182 |
f |
K |
x,y,z |
1_555 |
8 |
5 |
5038 |
64.3 |
-0.2 |
0.693 |
0 |
0 |
0 |
0.100 |
| 34 |
51 |
|
[EDO]A:712 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
5161 |
63.6 |
2.1 |
0.841 |
1 |
0 |
0 |
0.000 |
| 35 |
52 |
|
[FMT]I:801 |
3 |
1 |
149 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
5119 |
58.7 |
1.3 |
0.780 |
2 |
0 |
0 |
0.000 |
| 36 |
53 |
|
H |
6 |
3 |
5006 |
◊ |
G |
-x+2,-y,z |
2_755 |
8 |
3 |
4912 |
55.1 |
0.1 |
0.646 |
2 |
0 |
0 |
0.000 |
54 |
|
L |
5 |
3 |
5068 |
◊ |
K |
-x+1,-y,z |
2_655 |
3 |
1 |
5038 |
23.7 |
0.3 |
0.715 |
0 |
0 |
0 |
0.000 |
| Average: |
39.4 |
0.2 |
0.681 |
1 |
0 |
0 |
0.000 |
| 37 |
55 |
|
[FMT]B:804 |
3 |
1 |
149 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
5092 |
54.4 |
0.7 |
0.727 |
1 |
0 |
0 |
0.000 |
| 38 |
56 |
|
[ACT]K:901 |
3 |
1 |
182 |
◊ |
K |
-x+1,-y,z |
2_655 |
11 |
4 |
5038 |
52.9 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
| 39 |
57 |
|
[FMT]B:804 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
5167 |
49.5 |
-0.0 |
0.429 |
0 |
0 |
0 |
0.000 |
| 40 |
58 |
|
I |
3 |
1 |
5119 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
5167 |
49.2 |
0.6 |
0.584 |
1 |
0 |
0 |
0.000 |
| 41 |
59 |
|
[FMT]C:802 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
5167 |
46.0 |
-0.2 |
0.388 |
0 |
0 |
0 |
0.000 |
| 42 |
60 |
|
[EDO]F:713 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
5008 |
45.7 |
1.1 |
0.765 |
1 |
0 |
0 |
0.000 |
| 43 |
61 |
|
[ACT]D:902 |
1 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
5016 |
43.3 |
-0.7 |
0.396 |
0 |
0 |
0 |
0.000 |
| 44 |
62 |
|
[ACT]A:904 |
1 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
5092 |
42.2 |
-0.7 |
0.401 |
0 |
0 |
0 |
0.000 |
| 45 |
63 |
|
[MG]J:604 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
5119 |
38.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
1.000 |
64 |
|
[MG]I:606 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
5035 |
37.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
1.000 |
65 |
|
[MG]H:601 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
6 |
3 |
4912 |
37.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
1.000 |
66 |
|
[MG]G:603 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
5006 |
35.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
37.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
1.000 |
| 46 |
67 |
|
C |
3 |
1 |
5092 |
◊ |
I |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
5119 |
37.7 |
0.0 |
0.629 |
1 |
1 |
0 |
0.000 |
| 47 |
68 |
|
G |
4 |
1 |
4912 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
5167 |
37.1 |
0.3 |
0.662 |
1 |
1 |
0 |
0.000 |
69 |
|
L |
2 |
1 |
5068 |
◊ |
F |
-x+1,-y,z |
2_655 |
2 |
1 |
5016 |
29.3 |
0.5 |
0.823 |
1 |
0 |
0 |
0.000 |
| Average: |
33.2 |
0.4 |
0.742 |
1 |
1 |
0 |
0.000 |
| 48 |
70 |
|
[ACT]E:903 |
1 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
5016 |
34.9 |
-0.6 |
0.383 |
0 |
0 |
0 |
0.000 |
| 49 |
71 |
|
[MG]H:601 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
5006 |
33.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.396 |
72 |
|
[MG]J:604 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
5035 |
32.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.396 |
73 |
|
[MG]I:606 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
5119 |
32.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.396 |
74 |
|
[MG]G:603 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
4912 |
31.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.396 |
| Average: |
32.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.396 |
| 50 |
75 |
|
[ACT]K:901 |
2 |
1 |
182 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
5068 |
30.9 |
0.8 |
0.792 |
0 |
0 |
0 |
0.000 |
| 51 |
76 |
|
[MG]H:602 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
5006 |
29.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.318 |
77 |
|
[MG]H:602 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
4912 |
29.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.318 |
78 |
|
[MG]I:605 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
5035 |
29.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.318 |
79 |
|
[MG]I:605 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
5119 |
28.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.318 |
| Average: |
29.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.318 |
| 52 |
80 |
|
[ACT]D:902 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
5008 |
29.1 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
| 53 |
81 |
|
[ACT]A:904 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
5161 |
28.8 |
0.4 |
0.676 |
0 |
0 |
0 |
0.000 |
| 54 |
82 |
|
[ACT]E:903 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
4946 |
28.7 |
0.4 |
0.724 |
0 |
0 |
0 |
0.000 |
| 55 |
83 |
|
[ACT]A:904 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
5167 |
28.7 |
0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
| 56 |
84 |
|
[FMT]I:805 |
3 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5161 |
26.3 |
1.1 |
0.499 |
1 |
0 |
0 |
0.000 |
| 57 |
85 |
|
[ACT]D:902 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
4946 |
26.2 |
0.3 |
0.669 |
0 |
0 |
0 |
0.000 |
| 58 |
86 |
|
[ACT]E:903 |
4 |
1 |
184 |
f |
[ACT]D:902 |
x,y,z |
1_555 |
4 |
1 |
185 |
25.6 |
-0.4 |
0.719 |
0 |
0 |
0 |
0.000 |
| 59 |
87 |
|
[ACT]E:903 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
5008 |
25.5 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
| 60 |
88 |
|
H |
2 |
2 |
5006 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
3_646 |
5 |
3 |
5161 |
25.2 |
1.2 |
0.833 |
1 |
2 |
0 |
0.000 |
| 61 |
89 |
|
[FMT]B:804 |
2 |
1 |
149 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
5038 |
23.6 |
0.2 |
0.662 |
0 |
0 |
0 |
0.000 |
| 62 |
90 |
|
[FMT]C:802 |
3 |
1 |
149 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
5038 |
21.5 |
-0.1 |
0.430 |
0 |
0 |
0 |
0.000 |
| 63 |
91 |
|
[EDO]F:713 |
2 |
1 |
186 |
f |
[ACT]E:903 |
x,y,z |
1_555 |
1 |
1 |
184 |
16.2 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 64 |
92 |
|
[EDO]E:704 |
1 |
1 |
182 |
f |
[ACT]D:902 |
x,y,z |
1_555 |
3 |
1 |
185 |
16.1 |
0.3 |
0.829 |
0 |
0 |
0 |
0.000 |
| 65 |
93 |
|
[FMT]I:801 |
2 |
1 |
149 |
f |
J |
x,y,z |
1_555 |
3 |
2 |
5035 |
16.0 |
0.2 |
0.573 |
0 |
0 |
0 |
0.000 |
| 66 |
94 |
|
[MG]G:603 |
1 |
1 |
98 |
◊ |
H |
-x+2,-y,z |
2_755 |
3 |
2 |
5006 |
14.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 67 |
95 |
|
[MG]I:606 |
1 |
1 |
98 |
◊ |
[MG]I:605 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| 68 |
96 |
|
[MG]H:602 |
1 |
1 |
98 |
◊ |
[MG]H:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.073 |
| 69 |
97 |
|
[MG]J:604 |
1 |
1 |
98 |
◊ |
[MG]I:605 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.087 |
| 70 |
98 |
|
[MG]H:602 |
1 |
1 |
98 |
◊ |
[MG]G:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.057 |
| 71 |
99 |
|
[FMT]D:803 |
1 |
1 |
148 |
f |
J |
x-1/2,-y+1/2,-z+2 |
4_457 |
1 |
1 |
5035 |
5.7 |
0.0 |
0.410 |
0 |
0 |
0 |
0.000 |
| 72 |
100 |
|
[EDO]F:713 |
1 |
1 |
186 |
f |
[ACT]D:902 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.1 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
| 73 |
101 |
|
H |
1 |
1 |
5006 |
◊ |
D |
-x+3/2,y-1/2,-z+2 |
3_647 |
1 |
1 |
5008 |
3.2 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
| 74 |
102 |
|
L |
1 |
1 |
5068 |
◊ |
I |
x-1/2,-y+1/2,-z+2 |
4_457 |
1 |
1 |
5119 |
3.0 |
0.1 |
0.728 |
0 |
0 |
0 |
0.000 |
| 75 |
103 |
|
[MG]I:606 |
1 |
1 |
98 |
◊ |
I |
-x+2,-y+1,z |
2_765 |
1 |
1 |
5119 |
2.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
104 |
|
[MG]I:605 |
1 |
1 |
98 |
◊ |
I |
-x+2,-y+1,z |
2_765 |
1 |
1 |
5119 |
1.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 76 |
105 |
|
[EDO]C:714 |
1 |
1 |
185 |
f |
J |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
5035 |
1.7 |
0.1 |
0.837 |
0 |
0 |
0 |
0.000 |
|