## |
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 |
|
F |
101 |
28 |
8905 |
◊ |
E |
x,y,z |
1_555 |
100 |
33 |
9150 |
1010.9 |
-9.4 |
0.352 |
24 |
2 |
0 |
0.215 |
2 |
|
G |
98 |
31 |
8957 |
◊ |
E |
x,y,z |
1_555 |
102 |
27 |
9150 |
1008.9 |
-8.0 |
0.455 |
18 |
1 |
0 |
0.215 |
3 |
|
C |
101 |
27 |
8849 |
◊ |
B |
x,y,z |
1_555 |
99 |
30 |
9135 |
1007.7 |
-8.9 |
0.358 |
19 |
2 |
0 |
0.215 |
4 |
|
G |
105 |
28 |
8957 |
◊ |
F |
x,y,z |
1_555 |
98 |
31 |
8905 |
1005.8 |
-8.7 |
0.420 |
20 |
3 |
0 |
0.215 |
5 |
|
B |
104 |
28 |
9135 |
◊ |
A |
x,y,z |
1_555 |
102 |
32 |
8930 |
1001.0 |
-8.3 |
0.441 |
22 |
2 |
0 |
0.215 |
6 |
|
C |
97 |
31 |
8849 |
◊ |
A |
x,y,z |
1_555 |
101 |
28 |
8930 |
999.1 |
-10.0 |
0.277 |
23 |
2 |
0 |
0.215 |
Average: |
1005.6 |
-8.9 |
0.384 |
21 |
2 |
0 |
0.215 |
2 |
7 |
|
A |
32 |
8 |
8930 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
32 |
10 |
8930 |
293.8 |
-2.1 |
0.476 |
2 |
1 |
0 |
0.000 |
8 |
|
G |
31 |
8 |
8957 |
x |
G |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
10 |
8957 |
280.3 |
-2.4 |
0.453 |
4 |
1 |
0 |
0.000 |
Average: |
287.0 |
-2.2 |
0.465 |
3 |
1 |
0 |
0.000 |
3 |
9 |
|
E |
20 |
6 |
9150 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
27 |
11 |
8957 |
221.9 |
-0.1 |
0.773 |
3 |
3 |
0 |
0.000 |
10 |
|
B |
20 |
5 |
9135 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
27 |
11 |
8930 |
208.0 |
0.4 |
0.801 |
4 |
3 |
0 |
0.000 |
Average: |
214.9 |
0.1 |
0.787 |
4 |
3 |
0 |
0.000 |
4 |
11 |
|
C |
19 |
8 |
8849 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
7 |
8957 |
171.0 |
-1.4 |
0.477 |
2 |
0 |
0 |
0.000 |
5 |
12 |
|
[SIA]E:403 |
14 |
1 |
441 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
9150 |
161.4 |
-3.2 |
0.269 |
3 |
0 |
0 |
0.000 |
13 |
|
[SIA]C:401 |
14 |
1 |
436 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
8849 |
159.9 |
-3.2 |
0.252 |
2 |
0 |
0 |
0.000 |
14 |
|
[SIA]B:401 |
14 |
1 |
439 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
9135 |
158.1 |
-3.1 |
0.251 |
3 |
0 |
0 |
0.000 |
15 |
|
[SIA]A:401 |
14 |
1 |
439 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
8930 |
157.6 |
-3.2 |
0.257 |
2 |
0 |
0 |
0.000 |
16 |
|
[SIA]G:404 |
14 |
1 |
437 |
◊ |
G |
x,y,z |
1_555 |
19 |
6 |
8957 |
157.5 |
-2.7 |
0.291 |
3 |
0 |
0 |
0.000 |
17 |
|
[SIA]F:403 |
14 |
1 |
437 |
◊ |
F |
x,y,z |
1_555 |
19 |
6 |
8905 |
154.8 |
-3.1 |
0.259 |
2 |
0 |
0 |
0.000 |
Average: |
158.2 |
-3.1 |
0.263 |
3 |
0 |
0 |
0.000 |
6 |
18 |
|
B |
19 |
6 |
9135 |
x |
B |
-x,y-1/2,-z |
2_545 |
17 |
5 |
9135 |
151.5 |
0.2 |
0.723 |
2 |
0 |
0 |
0.000 |
19 |
|
E |
21 |
6 |
9150 |
x |
E |
-x+2,y-1/2,-z+1 |
2_746 |
15 |
5 |
9150 |
142.5 |
-1.0 |
0.590 |
2 |
0 |
0 |
0.000 |
Average: |
147.0 |
-0.4 |
0.657 |
2 |
0 |
0 |
0.000 |
7 |
20 |
|
F |
19 |
7 |
8905 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
8957 |
148.7 |
0.6 |
0.773 |
0 |
2 |
0 |
0.000 |
21 |
|
C |
15 |
5 |
8849 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
16 |
5 |
8930 |
128.8 |
0.7 |
0.766 |
1 |
2 |
0 |
0.000 |
Average: |
138.7 |
0.7 |
0.770 |
1 |
2 |
0 |
0.000 |
8 |
22 |
|
[1P0]B:402 |
16 |
1 |
621 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
15 |
4 |
9135 |
132.7 |
-0.5 |
0.744 |
3 |
0 |
0 |
0.000 |
9 |
23 |
|
F |
14 |
4 |
8905 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
8849 |
125.5 |
0.3 |
0.697 |
0 |
0 |
0 |
0.000 |
10 |
24 |
|
[GOL]G:407 |
6 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
18 |
9 |
8957 |
117.0 |
0.1 |
0.661 |
5 |
0 |
0 |
0.005 |
11 |
25 |
|
[EDO]F:407 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
8905 |
112.4 |
3.8 |
0.697 |
4 |
0 |
0 |
0.000 |
12 |
26 |
|
[EDO]B:410 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
9135 |
106.4 |
2.7 |
0.434 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
[EDO]B:408 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
9135 |
106.1 |
2.8 |
0.463 |
1 |
0 |
0 |
0.000 |
14 |
28 |
|
[GOL]G:406 |
6 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
17 |
9 |
8957 |
105.2 |
0.2 |
0.649 |
3 |
0 |
0 |
0.003 |
15 |
29 |
|
B |
10 |
3 |
9135 |
◊ |
E |
x-1,y,z |
1_455 |
14 |
6 |
9150 |
105.0 |
-0.2 |
0.632 |
1 |
0 |
0 |
0.000 |
16 |
30 |
|
[SIA]C:401 |
8 |
1 |
436 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
8930 |
103.0 |
-0.2 |
0.481 |
1 |
0 |
0 |
0.000 |
31 |
|
[SIA]F:403 |
7 |
1 |
437 |
◊ |
G |
x,y,z |
1_555 |
12 |
5 |
8957 |
102.4 |
-0.5 |
0.366 |
0 |
0 |
0 |
0.000 |
32 |
|
[SIA]B:401 |
7 |
1 |
439 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
8849 |
98.7 |
-0.7 |
0.354 |
0 |
0 |
0 |
0.000 |
33 |
|
[SIA]G:404 |
7 |
1 |
437 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
9150 |
98.2 |
-0.5 |
0.393 |
1 |
0 |
0 |
0.000 |
34 |
|
[SIA]E:403 |
7 |
1 |
441 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
8905 |
96.0 |
-0.8 |
0.360 |
0 |
0 |
0 |
0.000 |
35 |
|
[SIA]A:401 |
7 |
1 |
439 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
9135 |
90.0 |
-0.4 |
0.442 |
0 |
0 |
0 |
0.000 |
Average: |
98.1 |
-0.5 |
0.399 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
[EDO]A:407 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
8930 |
96.4 |
2.4 |
0.463 |
1 |
0 |
0 |
0.000 |
18 |
37 |
|
[EDO]F:406 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
8905 |
95.7 |
2.4 |
0.465 |
1 |
0 |
0 |
0.000 |
19 |
38 |
|
[EDO]B:409 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
9135 |
95.5 |
2.5 |
0.481 |
1 |
0 |
0 |
0.000 |
20 |
39 |
|
[EDO]E:407 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
9150 |
93.5 |
2.1 |
0.268 |
1 |
0 |
0 |
0.000 |
21 |
40 |
|
[EDO]E:408 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
9150 |
91.3 |
2.7 |
0.302 |
2 |
0 |
0 |
0.000 |
22 |
41 |
|
B |
11 |
3 |
9135 |
◊ |
F |
x-1,y,z |
1_455 |
11 |
3 |
8905 |
89.7 |
-0.5 |
0.573 |
0 |
0 |
0 |
0.004 |
23 |
42 |
|
[EDO]E:409 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
9150 |
86.1 |
2.5 |
0.288 |
1 |
0 |
0 |
0.000 |
24 |
43 |
|
[EDO]A:408 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8930 |
85.4 |
2.1 |
0.241 |
2 |
0 |
0 |
0.000 |
25 |
44 |
|
[ACT]E:405 |
4 |
1 |
182 |
f |
E |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
3 |
9150 |
76.9 |
-0.8 |
0.601 |
0 |
0 |
0 |
0.002 |
26 |
45 |
|
[ACT]B:406 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
3 |
9135 |
75.9 |
-0.6 |
0.641 |
1 |
0 |
0 |
0.008 |
27 |
46 |
|
[GOL]E:411 |
5 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
9150 |
75.1 |
-0.1 |
0.631 |
1 |
0 |
0 |
0.000 |
28 |
47 |
|
[ACT]G:405 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
8957 |
74.2 |
-0.4 |
0.585 |
2 |
0 |
0 |
0.003 |
29 |
48 |
|
A |
8 |
4 |
8930 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
9 |
6 |
8905 |
73.9 |
-1.5 |
0.273 |
0 |
0 |
0 |
0.000 |
30 |
49 |
|
B |
9 |
4 |
9135 |
◊ |
E |
x-1,y-1,z |
1_445 |
9 |
3 |
9150 |
73.5 |
-0.2 |
0.598 |
0 |
0 |
0 |
0.000 |
31 |
50 |
|
[EDO]C:403 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
8849 |
72.1 |
2.5 |
0.928 |
1 |
0 |
0 |
0.000 |
32 |
51 |
|
[ACT]F:404 |
4 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
9150 |
69.9 |
-0.1 |
0.646 |
1 |
0 |
0 |
0.001 |
33 |
52 |
|
[EDO]F:405 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
8905 |
69.6 |
2.5 |
0.938 |
1 |
0 |
0 |
0.000 |
34 |
53 |
|
[ACT]B:407 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9135 |
66.1 |
-0.5 |
0.573 |
0 |
0 |
0 |
0.000 |
35 |
54 |
|
G |
8 |
2 |
8957 |
f |
[GOL]E:411 |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
1 |
216 |
64.8 |
-0.8 |
0.477 |
1 |
0 |
0 |
0.003 |
36 |
55 |
|
[ACT]B:407 |
4 |
1 |
183 |
f |
E |
x-1,y-1,z |
1_445 |
7 |
3 |
9150 |
59.7 |
-0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
[1P0]B:402 |
5 |
1 |
621 |
cf |
[SIA]B:401 |
x,y,z |
1_555 |
9 |
1 |
439 |
56.0 |
1.0 |
0.660 |
0 |
0 |
0 |
0.000 |
38 |
57 |
|
[1P0]B:402 |
4 |
1 |
621 |
cf |
[SIA]C:401 |
x,y,z |
1_555 |
8 |
1 |
436 |
55.0 |
0.8 |
0.643 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
[1P0]B:402 |
3 |
1 |
621 |
cf |
[SIA]A:401 |
x,y,z |
1_555 |
8 |
1 |
439 |
53.6 |
0.8 |
0.640 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
[CL]A:409 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
8930 |
53.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.025 |
41 |
60 |
|
[MG]F:409 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
8905 |
52.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.125 |
61 |
|
[MG]E:412 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
9150 |
51.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.125 |
62 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8849 |
51.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.125 |
63 |
|
[MG]B:411 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9135 |
50.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
51.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.125 |
42 |
64 |
|
[ACT]G:405 |
3 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
8905 |
51.2 |
-0.2 |
0.730 |
1 |
0 |
0 |
0.001 |
43 |
65 |
|
[ACT]E:404 |
4 |
1 |
182 |
f |
G |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
3 |
8957 |
49.6 |
-0.2 |
0.697 |
1 |
0 |
0 |
0.002 |
66 |
|
[ACT]A:406 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8930 |
48.3 |
-0.2 |
0.687 |
1 |
0 |
0 |
0.002 |
Average: |
49.0 |
-0.2 |
0.692 |
1 |
0 |
0 |
0.002 |
44 |
67 |
|
[ACT]F:404 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
8905 |
49.0 |
-0.1 |
0.644 |
1 |
0 |
0 |
0.004 |
45 |
68 |
|
A |
5 |
3 |
8930 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
9150 |
48.3 |
-0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
46 |
69 |
|
[EDO]E:410 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
9150 |
45.3 |
1.3 |
0.940 |
0 |
0 |
0 |
0.000 |
47 |
70 |
|
[MG]F:408 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
8905 |
45.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.046 |
48 |
71 |
|
B |
6 |
2 |
9135 |
◊ |
[ACT]A:405 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
182 |
44.4 |
0.5 |
0.836 |
0 |
0 |
0 |
0.000 |
72 |
|
[ACT]E:406 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
9150 |
43.3 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
Average: |
43.8 |
0.4 |
0.800 |
0 |
0 |
0 |
0.000 |
49 |
73 |
|
[SIA]B:401 |
4 |
1 |
439 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
1 |
9135 |
41.0 |
0.5 |
0.612 |
1 |
0 |
0 |
0.000 |
74 |
|
[SIA]E:403 |
4 |
1 |
441 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
9150 |
20.1 |
-1.0 |
0.293 |
0 |
0 |
0 |
0.000 |
Average: |
30.5 |
-0.3 |
0.452 |
1 |
0 |
0 |
0.000 |
50 |
75 |
|
[ZN]G:403 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
3 |
8957 |
39.7 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.261 |
76 |
|
[ZN]E:402 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
9150 |
39.5 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.261 |
77 |
|
[ZN]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
8905 |
38.4 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.261 |
78 |
|
[ZN]B:405 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9135 |
36.9 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.261 |
79 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
8930 |
34.8 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.261 |
Average: |
37.9 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.261 |
51 |
80 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
9135 |
39.2 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.331 |
81 |
|
[ZN]E:401 |
1 |
1 |
98 |
cf |
E |
x,y,z |
1_555 |
8 |
4 |
9150 |
38.8 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.331 |
82 |
|
[ZN]F:401 |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
7 |
4 |
8905 |
36.6 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.331 |
Average: |
38.2 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.331 |
52 |
83 |
|
[ACT]A:405 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8930 |
38.0 |
0.6 |
0.850 |
1 |
0 |
0 |
0.000 |
53 |
84 |
|
G |
7 |
3 |
8957 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
3 |
9150 |
37.5 |
0.5 |
0.756 |
1 |
1 |
0 |
0.000 |
85 |
|
A |
4 |
3 |
8930 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
3 |
9135 |
22.6 |
0.5 |
0.783 |
0 |
0 |
0 |
0.000 |
Average: |
30.0 |
0.5 |
0.770 |
1 |
1 |
0 |
0.000 |
54 |
86 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
8849 |
37.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.012 |
55 |
87 |
|
[ACT]E:406 |
4 |
1 |
183 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
3 |
8957 |
36.8 |
0.5 |
0.849 |
0 |
0 |
0 |
0.000 |
56 |
88 |
|
[EDO]F:405 |
2 |
1 |
186 |
f |
G |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
8957 |
36.7 |
1.3 |
0.936 |
1 |
0 |
0 |
0.000 |
57 |
89 |
|
[ZN]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
9135 |
36.5 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.134 |
58 |
90 |
|
[ZN]C:402 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
7 |
4 |
8849 |
36.3 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.072 |
91 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
8930 |
20.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.072 |
92 |
|
[ZN]G:402 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
4 |
2 |
8957 |
18.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
25.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.072 |
59 |
93 |
|
[CA]G:408 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
6 |
3 |
8957 |
35.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.017 |
60 |
94 |
|
[EDO]B:410 |
4 |
1 |
185 |
◊ |
[SIA]A:401 |
x,y,z |
1_555 |
5 |
1 |
439 |
34.7 |
1.2 |
0.737 |
1 |
0 |
0 |
0.000 |
61 |
95 |
|
[ACT]E:405 |
4 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
9150 |
34.0 |
0.2 |
0.760 |
0 |
0 |
0 |
0.000 |
62 |
96 |
|
B |
6 |
2 |
9135 |
◊ |
[ACT]B:406 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
182 |
33.6 |
0.4 |
0.837 |
1 |
0 |
0 |
0.000 |
63 |
97 |
|
B |
3 |
1 |
9135 |
◊ |
[ACT]A:406 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
183 |
33.2 |
0.5 |
0.861 |
0 |
0 |
0 |
0.000 |
98 |
|
[ACT]E:404 |
3 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
9150 |
32.6 |
0.5 |
0.872 |
0 |
0 |
0 |
0.000 |
Average: |
32.9 |
0.5 |
0.867 |
0 |
0 |
0 |
0.000 |
64 |
99 |
|
[EDO]C:403 |
3 |
1 |
185 |
f |
A |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
8930 |
31.8 |
1.0 |
0.935 |
1 |
0 |
0 |
0.000 |
65 |
100 |
|
[ACT]E:406 |
3 |
1 |
183 |
◊ |
[ACT]E:404 |
x,y,z |
1_555 |
4 |
1 |
182 |
30.6 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
66 |
101 |
|
[ZN]C:402 |
1 |
1 |
98 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
8930 |
29.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.017 |
102 |
|
[ZN]F:401 |
1 |
1 |
98 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
8957 |
29.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
29.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.017 |
67 |
103 |
|
[ACT]A:406 |
4 |
1 |
183 |
◊ |
[ACT]A:405 |
x,y,z |
1_555 |
3 |
1 |
182 |
28.7 |
0.3 |
0.747 |
0 |
0 |
0 |
0.000 |
68 |
104 |
|
[GOL]E:411 |
2 |
1 |
216 |
◊ |
[EDO]E:410 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.7 |
0.5 |
0.866 |
1 |
0 |
0 |
0.000 |
69 |
105 |
|
[ACT]B:406 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
8930 |
28.4 |
0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
70 |
106 |
|
[ACT]F:404 |
3 |
1 |
182 |
◊ |
[ZN]E:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.5 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.132 |
107 |
|
[ACT]B:407 |
4 |
1 |
183 |
◊ |
[ZN]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.132 |
108 |
|
[ACT]E:404 |
3 |
1 |
182 |
◊ |
[ZN]G:401 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
26.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.132 |
109 |
|
[ACT]A:406 |
3 |
1 |
183 |
◊ |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.132 |
110 |
|
[ACT]A:405 |
3 |
1 |
182 |
◊ |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.132 |
111 |
|
[ACT]B:406 |
3 |
1 |
182 |
◊ |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.132 |
112 |
|
[ACT]E:406 |
3 |
1 |
183 |
◊ |
[ZN]G:402 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
19.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.132 |
113 |
|
[ACT]E:405 |
3 |
1 |
182 |
◊ |
[ZN]G:402 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
18.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
23.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.132 |
71 |
114 |
|
[ZN]B:404 |
1 |
1 |
98 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
2 |
8905 |
27.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.091 |
72 |
115 |
|
B |
4 |
2 |
9135 |
◊ |
[ZN]A:403 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
26.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.000 |
116 |
|
E |
4 |
2 |
9150 |
◊ |
[ZN]G:401 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
25.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
25.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
117 |
|
[CA]G:408 |
1 |
1 |
85 |
f |
[ACT]G:405 |
x,y,z |
1_555 |
3 |
1 |
183 |
24.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.008 |
74 |
118 |
|
[ZN]G:402 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
9150 |
23.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.056 |
119 |
|
[ZN]C:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8930 |
16.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.056 |
120 |
|
[ZN]F:401 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
8957 |
16.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.056 |
121 |
|
[ZN]B:403 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8849 |
15.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.056 |
122 |
|
[ZN]E:401 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8905 |
12.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
17.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.056 |
75 |
123 |
|
[ACT]E:405 |
4 |
1 |
182 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
2 |
8957 |
23.8 |
0.2 |
0.768 |
0 |
0 |
0 |
0.000 |
76 |
124 |
|
B |
2 |
1 |
9135 |
◊ |
[ACT]F:404 |
x-1,y,z |
1_455 |
2 |
1 |
182 |
22.9 |
-0.5 |
0.311 |
0 |
0 |
0 |
0.004 |
77 |
125 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9135 |
22.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.012 |
78 |
126 |
|
[EDO]A:408 |
2 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
8849 |
21.7 |
0.7 |
0.795 |
0 |
0 |
0 |
0.000 |
79 |
127 |
|
[ACT]A:405 |
3 |
1 |
182 |
cf |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.100 |
128 |
|
[ACT]E:406 |
3 |
1 |
183 |
cf |
[ZN]G:401 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
21.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
21.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.100 |
80 |
129 |
|
[ZN]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8930 |
21.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.038 |
130 |
|
[ZN]G:401 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
8957 |
21.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
21.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.038 |
81 |
131 |
|
E |
2 |
1 |
9150 |
◊ |
[ZN]G:402 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
19.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
132 |
|
B |
2 |
1 |
9135 |
◊ |
[ZN]A:402 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
19.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
19.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
133 |
|
[EDO]F:405 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
8849 |
19.0 |
0.9 |
0.976 |
0 |
0 |
0 |
0.000 |
83 |
134 |
|
C |
4 |
1 |
8849 |
◊ |
E |
x-1,y-1,z |
1_445 |
3 |
1 |
9150 |
17.6 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
84 |
135 |
|
[ACT]B:406 |
3 |
1 |
182 |
f |
[ACT]A:405 |
x,y,z |
1_555 |
1 |
1 |
182 |
16.7 |
0.4 |
0.935 |
0 |
0 |
0 |
0.000 |
85 |
136 |
|
G |
3 |
3 |
8957 |
◊ |
[EDO]E:410 |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
185 |
16.7 |
0.6 |
0.867 |
0 |
0 |
0 |
0.000 |
86 |
137 |
|
[MG]B:411 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8930 |
16.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
138 |
|
[MG]C:405 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9135 |
15.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
139 |
|
[MG]E:412 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
8957 |
15.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
15.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
87 |
140 |
|
[ACT]E:406 |
3 |
1 |
183 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
9150 |
16.4 |
0.5 |
0.795 |
0 |
0 |
0 |
0.000 |
88 |
141 |
|
[ACT]B:407 |
2 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8849 |
16.3 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
89 |
142 |
|
[ACT]E:406 |
1 |
1 |
183 |
◊ |
[ACT]E:405 |
x,y,z |
1_555 |
3 |
1 |
182 |
15.0 |
0.3 |
0.935 |
0 |
0 |
0 |
0.000 |
90 |
143 |
|
[EDO]B:410 |
3 |
1 |
185 |
f |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
9135 |
13.2 |
0.4 |
0.869 |
0 |
0 |
0 |
0.000 |
91 |
144 |
|
[GOL]G:406 |
2 |
1 |
221 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
9150 |
10.9 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
92 |
145 |
|
[1P0]B:402 |
3 |
1 |
621 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8930 |
10.5 |
-0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
93 |
146 |
|
[ACT]A:405 |
1 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
9135 |
10.4 |
0.3 |
0.645 |
0 |
0 |
0 |
0.000 |
94 |
147 |
|
[1P0]B:402 |
2 |
1 |
621 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9135 |
10.2 |
0.3 |
0.779 |
0 |
0 |
0 |
0.000 |
95 |
148 |
|
[ZN]G:403 |
1 |
1 |
98 |
◊ |
[EDO]E:410 |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
185 |
9.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
96 |
149 |
|
[CA]G:408 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8905 |
8.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
97 |
150 |
|
[1P0]B:402 |
2 |
1 |
621 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8849 |
8.4 |
0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
98 |
151 |
|
F |
4 |
2 |
8905 |
◊ |
G |
x,y-1,z |
1_545 |
2 |
1 |
8957 |
6.2 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
99 |
152 |
|
B |
2 |
2 |
9135 |
◊ |
[ZN]E:401 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
4.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
100 |
153 |
|
[ZN]G:402 |
1 |
1 |
98 |
◊ |
[ZN]G:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.005 |
101 |
154 |
|
[ZN]A:403 |
1 |
1 |
98 |
◊ |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.005 |
102 |
155 |
|
A |
1 |
1 |
8930 |
◊ |
[CL]A:409 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
103 |
156 |
|
[SIA]G:404 |
2 |
1 |
437 |
f |
E |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
9150 |
2.1 |
0.0 |
0.387 |
0 |
0 |
0 |
0.000 |
|