## |
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 |
|
L |
219 |
64 |
11325 |
◊ |
H |
x,y,z |
1_555 |
200 |
55 |
11919 |
1950.3 |
-24.8 |
0.049 |
20 |
0 |
0 |
1.000 |
2 |
|
K |
219 |
64 |
11297 |
◊ |
J |
x,y,z |
1_555 |
203 |
57 |
11899 |
1901.0 |
-20.8 |
0.108 |
20 |
5 |
0 |
1.000 |
Average: |
1925.7 |
-22.8 |
0.078 |
20 |
3 |
0 |
1.000 |
2 |
3 |
|
D |
176 |
48 |
18621 |
◊ |
C |
x,y,z |
1_555 |
184 |
48 |
18845 |
1769.3 |
-24.5 |
0.008 |
15 |
2 |
1 |
0.694 |
3 |
4 |
|
B |
174 |
45 |
18834 |
◊ |
A |
x,y,z |
1_555 |
170 |
42 |
18822 |
1639.4 |
-25.5 |
0.003 |
13 |
2 |
1 |
0.960 |
4 |
5 |
|
J |
71 |
21 |
11899 |
◊ |
C |
x,y,z |
1_555 |
82 |
21 |
18845 |
703.0 |
-1.0 |
0.689 |
20 |
1 |
0 |
0.000 |
6 |
|
H |
72 |
20 |
11919 |
◊ |
A |
x,y,z |
1_555 |
84 |
21 |
18822 |
699.4 |
-1.2 |
0.689 |
18 |
1 |
0 |
0.000 |
Average: |
701.2 |
-1.1 |
0.689 |
19 |
1 |
0 |
0.000 |
5 |
7 |
|
D |
43 |
15 |
18621 |
◊ |
K |
-x+3,y-1/2,-z+1 |
2_846 |
48 |
16 |
11297 |
424.6 |
-3.1 |
0.250 |
2 |
0 |
0 |
0.047 |
6 |
8 |
|
A |
48 |
15 |
18822 |
◊ |
L |
x-1,y,z |
1_455 |
41 |
10 |
11325 |
423.1 |
-0.1 |
0.540 |
4 |
4 |
0 |
0.021 |
7 |
9 |
|
A |
27 |
7 |
18822 |
◊ |
K |
x-1,y-1,z |
1_445 |
31 |
13 |
11297 |
307.0 |
-1.2 |
0.222 |
1 |
0 |
0 |
0.014 |
8 |
10 |
|
L |
31 |
8 |
11325 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
35 |
9 |
18845 |
299.1 |
0.8 |
0.699 |
3 |
1 |
0 |
0.001 |
11 |
|
A |
34 |
10 |
18822 |
◊ |
K |
-x+2,y-1/2,-z+1 |
2_746 |
28 |
8 |
11297 |
286.8 |
0.8 |
0.702 |
5 |
2 |
0 |
0.001 |
Average: |
292.9 |
0.8 |
0.701 |
4 |
2 |
0 |
0.001 |
9 |
12 |
|
B |
37 |
12 |
18834 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
30 |
8 |
18834 |
281.2 |
-2.5 |
0.304 |
4 |
1 |
0 |
0.000 |
10 |
13 |
|
D |
23 |
9 |
18621 |
◊ |
J |
x-1,y,z |
1_455 |
32 |
8 |
11899 |
269.2 |
3.2 |
0.898 |
7 |
5 |
0 |
0.004 |
11 |
14 |
|
B |
35 |
8 |
18834 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
31 |
10 |
18845 |
260.2 |
-0.2 |
0.603 |
7 |
0 |
0 |
0.000 |
12 |
15 |
|
L |
27 |
9 |
11325 |
◊ |
K |
x,y-1,z |
1_545 |
23 |
8 |
11297 |
245.0 |
2.3 |
0.815 |
5 |
6 |
0 |
0.007 |
13 |
16 |
|
C |
21 |
8 |
18845 |
◊ |
K |
x-1,y,z |
1_455 |
31 |
9 |
11297 |
217.1 |
1.1 |
0.732 |
4 |
4 |
0 |
0.008 |
14 |
17 |
|
B |
23 |
6 |
18834 |
◊ |
C |
x-1,y,z |
1_455 |
28 |
10 |
18845 |
206.7 |
2.1 |
0.790 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
B |
20 |
5 |
18834 |
◊ |
H |
x-1,y,z |
1_455 |
20 |
8 |
11919 |
200.4 |
1.5 |
0.834 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
B |
25 |
10 |
18834 |
◊ |
[NAG]C:905 |
x-1,y,z |
1_455 |
13 |
1 |
355 |
188.6 |
3.1 |
0.314 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
B |
31 |
12 |
18834 |
◊ |
[NAG]C:907 |
-x+2,y-1/2,-z |
2_745 |
12 |
1 |
358 |
185.2 |
3.5 |
0.365 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
L |
23 |
11 |
11325 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
21 |
9 |
18834 |
179.4 |
0.6 |
0.633 |
3 |
0 |
0 |
0.000 |
19 |
22 |
|
[NAG]D:902 |
10 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
20 |
11 |
18621 |
155.3 |
3.6 |
0.487 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
D |
22 |
8 |
18621 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
20 |
8 |
18621 |
152.9 |
0.4 |
0.666 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
L |
16 |
5 |
11325 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
18822 |
150.9 |
-1.8 |
0.259 |
0 |
0 |
0 |
0.000 |
25 |
|
K |
15 |
6 |
11297 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
18845 |
141.6 |
-1.8 |
0.274 |
0 |
0 |
0 |
0.000 |
Average: |
146.3 |
-1.8 |
0.266 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[NAG]B:907 |
13 |
1 |
353 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
18834 |
146.6 |
2.6 |
0.206 |
4 |
0 |
0 |
0.000 |
23 |
27 |
|
[NAG]B:903 |
8 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
18 |
10 |
18834 |
141.8 |
2.7 |
0.435 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
A |
17 |
5 |
18822 |
◊ |
J |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
5 |
11899 |
140.6 |
-2.1 |
0.256 |
3 |
0 |
0 |
0.003 |
29 |
|
H |
10 |
4 |
11919 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
15 |
5 |
18845 |
125.6 |
-1.9 |
0.234 |
1 |
0 |
0 |
0.003 |
Average: |
133.1 |
-2.0 |
0.245 |
2 |
0 |
0 |
0.003 |
25 |
30 |
|
H |
22 |
12 |
11919 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
16 |
8 |
18621 |
137.8 |
-0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
15 |
6 |
18834 |
◊ |
J |
-x+2,y-1/2,-z |
2_745 |
16 |
9 |
11899 |
132.1 |
-1.0 |
0.486 |
0 |
0 |
0 |
0.000 |
Average: |
135.0 |
-0.8 |
0.534 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[NAG]C:906 |
13 |
1 |
353 |
cf |
C |
x,y,z |
1_555 |
19 |
7 |
18845 |
137.2 |
3.1 |
0.284 |
2 |
0 |
0 |
0.000 |
33 |
|
[NAG]A:906 |
12 |
1 |
352 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
18822 |
135.1 |
3.0 |
0.306 |
2 |
0 |
0 |
0.000 |
Average: |
136.1 |
3.1 |
0.295 |
2 |
0 |
0 |
0.000 |
27 |
34 |
|
H |
23 |
11 |
11919 |
◊ |
[NAG]D:903 |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
1 |
353 |
134.2 |
1.8 |
0.221 |
5 |
0 |
0 |
0.000 |
28 |
35 |
|
[NAG]A:901 |
11 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
21 |
7 |
18822 |
131.5 |
3.6 |
0.398 |
1 |
0 |
0 |
0.000 |
36 |
|
[NAG]C:901 |
11 |
1 |
352 |
cf |
C |
x,y,z |
1_555 |
21 |
6 |
18845 |
130.0 |
3.4 |
0.374 |
1 |
0 |
0 |
0.000 |
Average: |
130.7 |
3.5 |
0.386 |
1 |
0 |
0 |
0.000 |
29 |
37 |
|
[NAG]C:904 |
10 |
1 |
357 |
cf |
C |
x,y,z |
1_555 |
15 |
6 |
18845 |
131.4 |
4.4 |
0.557 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
A |
15 |
7 |
18822 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
6 |
18621 |
120.8 |
-0.1 |
0.579 |
2 |
0 |
0 |
0.000 |
31 |
39 |
|
[NAG]A:903 |
7 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
18822 |
119.5 |
3.2 |
0.553 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
L |
12 |
5 |
11325 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
15 |
7 |
18834 |
118.9 |
0.7 |
0.651 |
2 |
0 |
0 |
0.000 |
33 |
41 |
|
[NAG]A:904 |
11 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
15 |
5 |
18822 |
115.8 |
3.4 |
0.373 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[NAG]A:907 |
10 |
1 |
351 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
18 |
7 |
18621 |
115.2 |
1.6 |
0.240 |
1 |
0 |
0 |
0.000 |
35 |
43 |
|
A |
12 |
4 |
18822 |
◊ |
H |
x-1,y,z |
1_455 |
15 |
6 |
11919 |
113.9 |
-0.2 |
0.559 |
2 |
0 |
0 |
0.010 |
36 |
44 |
|
L |
13 |
5 |
11325 |
◊ |
[NAG]B:901 |
-x+1,y-1/2,-z |
2_645 |
12 |
1 |
357 |
110.1 |
0.8 |
0.132 |
1 |
0 |
0 |
0.000 |
37 |
45 |
|
L |
16 |
7 |
11325 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
7 |
18845 |
109.3 |
0.3 |
0.644 |
1 |
0 |
0 |
0.000 |
38 |
46 |
|
[NAG]D:901 |
8 |
1 |
356 |
cf |
D |
x,y,z |
1_555 |
10 |
3 |
18621 |
106.3 |
3.3 |
0.534 |
1 |
0 |
0 |
0.000 |
39 |
47 |
|
[NAG]C:907 |
10 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
11 |
5 |
18845 |
106.0 |
2.1 |
0.262 |
1 |
0 |
0 |
0.000 |
40 |
48 |
|
L |
9 |
3 |
11325 |
◊ |
J |
x-1,y-1,z |
1_445 |
11 |
3 |
11899 |
105.2 |
1.6 |
0.858 |
5 |
4 |
0 |
0.000 |
41 |
49 |
|
[NAG]B:906 |
9 |
1 |
354 |
◊ |
J |
-x+2,y-1/2,-z |
2_745 |
17 |
7 |
11899 |
105.1 |
1.4 |
0.230 |
2 |
0 |
0 |
0.000 |
42 |
50 |
|
[NAG]B:904 |
10 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
12 |
4 |
18834 |
104.0 |
1.8 |
0.300 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[NAG]D:903 |
11 |
1 |
353 |
cf |
D |
x,y,z |
1_555 |
12 |
5 |
18621 |
104.0 |
2.3 |
0.275 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
[NAG]B:902 |
9 |
1 |
352 |
cf |
B |
x,y,z |
1_555 |
10 |
3 |
18834 |
103.3 |
3.1 |
0.462 |
1 |
0 |
0 |
0.000 |
45 |
53 |
|
L |
11 |
6 |
11325 |
◊ |
[NAG]C:901 |
-x+2,y-1/2,-z |
2_745 |
10 |
1 |
352 |
101.3 |
2.3 |
0.273 |
2 |
0 |
0 |
0.000 |
46 |
54 |
|
[NAG]B:904 |
9 |
1 |
360 |
◊ |
J |
-x+2,y-1/2,-z |
2_745 |
13 |
5 |
11899 |
101.1 |
1.1 |
0.278 |
1 |
0 |
0 |
0.000 |
47 |
55 |
|
[NAG]A:907 |
11 |
1 |
351 |
cf |
A |
x,y,z |
1_555 |
12 |
4 |
18822 |
96.8 |
2.2 |
0.271 |
1 |
0 |
0 |
0.000 |
48 |
56 |
|
[NAG]B:906 |
9 |
1 |
354 |
cf |
B |
x,y,z |
1_555 |
9 |
4 |
18834 |
94.5 |
2.2 |
0.324 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[NAG]C:908 |
8 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
12 |
3 |
18845 |
94.2 |
2.2 |
0.350 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[NAG]C:902 |
7 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
12 |
3 |
18845 |
94.0 |
3.1 |
0.575 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[NAG]A:902 |
8 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
11 |
3 |
18822 |
93.6 |
2.5 |
0.380 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
H |
8 |
2 |
11919 |
◊ |
K |
x-1,y-1,z |
1_445 |
14 |
4 |
11297 |
92.0 |
1.3 |
0.820 |
1 |
0 |
0 |
0.000 |
53 |
61 |
|
[NAG]A:901 |
9 |
1 |
358 |
◊ |
K |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
6 |
11297 |
91.5 |
1.8 |
0.270 |
2 |
0 |
0 |
0.000 |
54 |
62 |
|
[NAG]C:903 |
10 |
1 |
354 |
cf |
C |
x,y,z |
1_555 |
8 |
4 |
18845 |
89.3 |
2.2 |
0.298 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[NAG]B:905 |
8 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
18834 |
88.0 |
2.5 |
0.397 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
[NAG]D:904 |
8 |
1 |
355 |
cf |
D |
x,y,z |
1_555 |
9 |
4 |
18621 |
85.8 |
2.0 |
0.371 |
1 |
0 |
0 |
0.000 |
57 |
65 |
|
[NAG]B:901 |
7 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
18834 |
83.5 |
2.1 |
0.377 |
1 |
0 |
0 |
0.000 |
58 |
66 |
|
[NAG]C:905 |
7 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
18845 |
82.5 |
2.0 |
0.427 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[NAG]A:905 |
8 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
18822 |
74.3 |
2.3 |
0.333 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
D |
7 |
4 |
18621 |
◊ |
K |
x-1,y,z |
1_455 |
8 |
3 |
11297 |
71.9 |
-0.7 |
0.390 |
1 |
0 |
0 |
0.006 |
61 |
69 |
|
[NAG]A:905 |
7 |
1 |
355 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
18621 |
70.3 |
0.9 |
0.189 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[NA]D:961 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
18621 |
69.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.231 |
63 |
71 |
|
L |
10 |
4 |
11325 |
◊ |
J |
x,y-1,z |
1_545 |
6 |
2 |
11899 |
69.5 |
0.3 |
0.571 |
1 |
0 |
0 |
0.002 |
64 |
72 |
|
[NA]C:962 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
18845 |
68.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.480 |
73 |
|
[NA]A:962 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
18822 |
65.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.480 |
Average: |
67.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.480 |
65 |
74 |
|
[NA]A:961 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
18822 |
67.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.441 |
75 |
|
[NA]C:961 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
18845 |
64.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.441 |
Average: |
65.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.441 |
66 |
76 |
|
[CL]D:971 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
18621 |
65.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.337 |
77 |
|
[CL]B:971 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
18834 |
65.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.337 |
Average: |
65.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.337 |
67 |
78 |
|
[NAG]B:902 |
8 |
1 |
352 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
18822 |
63.3 |
1.9 |
0.313 |
1 |
0 |
0 |
0.000 |
79 |
|
[NAG]D:901 |
6 |
1 |
356 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
18845 |
44.5 |
1.3 |
0.336 |
1 |
0 |
0 |
0.000 |
Average: |
53.9 |
1.6 |
0.324 |
1 |
0 |
0 |
0.000 |
68 |
80 |
|
H |
7 |
3 |
11919 |
◊ |
[NAG]C:903 |
x,y-1,z |
1_545 |
6 |
1 |
354 |
59.6 |
1.4 |
0.353 |
0 |
0 |
0 |
0.000 |
69 |
81 |
|
[NAG]A:903 |
4 |
1 |
356 |
◊ |
J |
x-1,y-1,z |
1_445 |
7 |
3 |
11899 |
56.7 |
1.3 |
0.430 |
1 |
0 |
0 |
0.000 |
70 |
82 |
|
L |
6 |
1 |
11325 |
◊ |
K |
x-1,y-1,z |
1_445 |
8 |
2 |
11297 |
56.7 |
0.5 |
0.704 |
1 |
0 |
0 |
0.000 |
71 |
83 |
|
L |
7 |
3 |
11325 |
◊ |
[NAG]C:908 |
-x+2,y-1/2,-z |
2_745 |
7 |
1 |
358 |
50.8 |
0.2 |
0.140 |
1 |
0 |
0 |
0.000 |
72 |
84 |
|
[NAG]B:907 |
6 |
1 |
353 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
2 |
18845 |
49.9 |
1.8 |
0.423 |
0 |
0 |
0 |
0.000 |
73 |
85 |
|
L |
6 |
3 |
11325 |
◊ |
[NAG]C:903 |
x,y-1,z |
1_545 |
4 |
1 |
354 |
46.4 |
0.5 |
0.299 |
0 |
0 |
0 |
0.000 |
74 |
86 |
|
[NAG]D:904 |
5 |
1 |
355 |
◊ |
J |
x-1,y,z |
1_455 |
4 |
1 |
11899 |
44.5 |
0.4 |
0.300 |
0 |
0 |
0 |
0.000 |
75 |
87 |
|
[NAG]D:902 |
2 |
1 |
357 |
◊ |
K |
-x+3,y-1/2,-z+1 |
2_846 |
9 |
4 |
11297 |
40.6 |
0.8 |
0.559 |
0 |
0 |
0 |
0.000 |
76 |
88 |
|
[NAG]A:902 |
6 |
1 |
357 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
1 |
18621 |
37.8 |
1.1 |
0.276 |
1 |
0 |
0 |
0.000 |
77 |
89 |
|
[NAG]B:907 |
6 |
1 |
353 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
18822 |
35.5 |
0.0 |
0.101 |
0 |
0 |
0 |
0.000 |
78 |
90 |
|
C |
3 |
2 |
18845 |
◊ |
J |
x-1,y,z |
1_455 |
5 |
3 |
11899 |
33.8 |
1.3 |
0.883 |
0 |
0 |
0 |
0.000 |
79 |
91 |
|
L |
6 |
3 |
11325 |
f |
[CA]K:301 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
32.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.168 |
80 |
92 |
|
[NAG]A:904 |
4 |
1 |
357 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
3 |
11919 |
29.9 |
-0.6 |
0.144 |
0 |
0 |
0 |
0.005 |
81 |
93 |
|
[CA]K:301 |
1 |
1 |
85 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
11297 |
29.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.047 |
82 |
94 |
|
K |
2 |
1 |
11297 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18621 |
23.1 |
-0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
83 |
95 |
|
H |
2 |
1 |
11919 |
◊ |
K |
x,y-1,z |
1_545 |
3 |
1 |
11297 |
22.6 |
0.6 |
0.795 |
0 |
0 |
0 |
0.000 |
84 |
96 |
|
J |
3 |
1 |
11899 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
18621 |
12.9 |
0.3 |
0.791 |
0 |
0 |
0 |
0.000 |
85 |
97 |
|
[NA]A:961 |
1 |
1 |
125 |
◊ |
K |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
11297 |
12.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
98 |
|
L |
1 |
1 |
11325 |
◊ |
[NA]C:961 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
125 |
12.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
12.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
86 |
99 |
|
L |
3 |
1 |
11325 |
◊ |
[NAG]B:904 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
360 |
6.1 |
0.1 |
0.416 |
0 |
0 |
0 |
0.000 |
87 |
100 |
|
A |
2 |
1 |
18822 |
◊ |
J |
x-1,y-1,z |
1_445 |
1 |
1 |
11899 |
5.0 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
|