## |
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 |
|
D |
223 |
63 |
8504 |
x |
D |
-z,x+1/2,-y+1/2 |
8_555 |
202 |
54 |
8504 |
2050.7 |
-27.0 |
0.387 |
28 |
2 |
0 |
0.000 |
2 |
|
E |
190 |
52 |
8385 |
x |
E |
z,x,y |
5_555 |
218 |
61 |
8385 |
1961.6 |
-27.1 |
0.274 |
27 |
4 |
0 |
0.000 |
3 |
|
C |
213 |
61 |
8222 |
x |
A |
x,y,z |
1_555 |
198 |
53 |
8266 |
1943.2 |
-27.3 |
0.320 |
27 |
3 |
0 |
0.000 |
4 |
|
B |
190 |
50 |
8142 |
x |
A |
x,y,z |
1_555 |
210 |
61 |
8266 |
1930.5 |
-27.8 |
0.245 |
27 |
2 |
0 |
0.000 |
5 |
|
C |
187 |
49 |
8222 |
x |
B |
x,y,z |
1_555 |
210 |
59 |
8142 |
1907.2 |
-27.6 |
0.274 |
29 |
2 |
0 |
0.000 |
Average: |
1958.6 |
-27.4 |
0.300 |
28 |
3 |
0 |
0.000 |
2 |
6 |
|
E |
43 |
15 |
8385 |
◊ |
A |
x,y,z |
1_555 |
44 |
16 |
8266 |
473.2 |
-7.0 |
0.312 |
0 |
0 |
0 |
0.000 |
7 |
|
D |
44 |
16 |
8504 |
◊ |
B |
x,y,z |
1_555 |
43 |
14 |
8142 |
443.0 |
-5.7 |
0.448 |
1 |
0 |
0 |
0.000 |
Average: |
458.1 |
-6.3 |
0.380 |
1 |
0 |
0 |
0.000 |
3 |
8 |
|
B |
29 |
8 |
8142 |
◊ |
E |
-z,x+1/2,-y+1/2 |
8_555 |
28 |
10 |
8385 |
288.3 |
-1.8 |
0.679 |
5 |
0 |
0 |
0.000 |
4 |
9 |
|
[CL]E:196 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
20 |
8 |
8385 |
73.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.012 |
10 |
|
[CL]C:190 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
8222 |
71.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.012 |
11 |
|
[CL]D:189 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
8504 |
71.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
71.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.012 |
5 |
12 |
|
[CL]E:191 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
8385 |
68.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.007 |
6 |
13 |
|
[CL]B:190 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8142 |
66.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.010 |
7 |
14 |
|
[CL]A:189 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8266 |
61.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.010 |
15 |
|
[CL]E:194 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
8385 |
61.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.010 |
16 |
|
[CL]B:188 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8142 |
61.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.010 |
17 |
|
[CL]D:188 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8504 |
61.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.010 |
18 |
|
[CL]C:187 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
8222 |
60.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
61.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.010 |
8 |
19 |
|
[CL]B:187 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8142 |
58.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.010 |
9 |
20 |
|
[CL]A:190 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8266 |
57.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.008 |
21 |
|
[CL]C:189 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8222 |
56.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
57.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.008 |
10 |
22 |
|
[CL]D:187 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
8504 |
50.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.006 |
23 |
|
[CL]A:191 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
8222 |
48.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
49.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.006 |
11 |
24 |
|
[ZN]A:185 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8266 |
44.4 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.026 |
25 |
|
[ZN]B:186 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
8142 |
39.1 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.026 |
26 |
|
[ZN]C:185 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
6 |
3 |
8222 |
38.5 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
|
[ZN]E:189 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
8385 |
36.7 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.026 |
28 |
|
[ZN]D:183 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
8504 |
34.5 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
38.7 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.026 |
12 |
29 |
|
[ZN]A:188 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8266 |
43.9 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.025 |
13 |
30 |
|
[ZN]A:186 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
8266 |
43.6 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.026 |
31 |
|
[ZN]C:184 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
8222 |
42.9 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.026 |
32 |
|
[ZN]E:187 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
8385 |
42.1 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.026 |
33 |
|
[ZN]D:184 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
8504 |
41.3 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.026 |
34 |
|
[ZN]B:184 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
8142 |
37.1 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
41.4 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.026 |
14 |
35 |
|
[CL]D:191 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
8504 |
43.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.004 |
15 |
36 |
|
[CL]E:193 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
8385 |
42.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.004 |
37 |
|
[CL]D:186 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
8504 |
39.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
40.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.004 |
16 |
38 |
|
[CL]E:195 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
8385 |
39.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.005 |
39 |
|
[CL]A:192 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
8266 |
36.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
38.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.005 |
17 |
40 |
|
[CL]B:189 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
8142 |
39.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.006 |
41 |
|
[CL]C:188 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
8222 |
37.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
38.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.006 |
18 |
42 |
|
[ZN]E:188 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
8385 |
37.5 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.011 |
19 |
43 |
|
[ZN]A:187 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8266 |
35.7 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[ZN]C:186 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
8222 |
34.0 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[ZN]B:185 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8504 |
32.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[ZN]B:185 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8142 |
32.3 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
33.7 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
47 |
|
[ZN]A:187 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
3 |
1 |
8385 |
35.1 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.010 |
21 |
48 |
|
C |
4 |
2 |
8222 |
◊ |
[CL]E:192 |
z,x,y |
5_555 |
1 |
1 |
125 |
34.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[CL]D:190 |
1 |
1 |
125 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
3 |
2 |
8266 |
29.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
50 |
|
[ZN]E:190 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
8385 |
33.8 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.010 |
51 |
|
[ZN]D:185 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
8504 |
28.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
31.0 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
52 |
|
[CL]E:192 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
8385 |
32.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.002 |
53 |
|
[CL]D:190 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
8504 |
23.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
28.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.002 |
24 |
54 |
|
[CL]D:186 |
1 |
1 |
125 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
5 |
4 |
8142 |
31.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
55 |
|
[CL]D:192 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8504 |
28.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
56 |
|
[CL]D:192 |
1 |
1 |
125 |
f |
[ZN]B:185 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.100 |
27 |
57 |
|
[CL]A:191 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8266 |
27.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[CL]D:187 |
1 |
1 |
125 |
◊ |
D |
-z,x+1/2,-y+1/2 |
8_555 |
3 |
1 |
8504 |
16.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
21.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
59 |
|
[CL]B:189 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
8504 |
27.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
60 |
|
[CL]C:188 |
1 |
1 |
125 |
f |
[ZN]C:184 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.015 |
30 |
61 |
|
[CL]E:193 |
1 |
1 |
125 |
f |
[ZN]E:190 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.008 |
31 |
62 |
|
[CL]D:191 |
1 |
1 |
125 |
f |
[ZN]D:183 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.010 |
32 |
63 |
|
[CL]E:192 |
1 |
1 |
125 |
f |
[ZN]E:189 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.008 |
33 |
64 |
|
[CL]B:189 |
1 |
1 |
125 |
f |
[ZN]B:184 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.016 |
34 |
65 |
|
[CL]D:192 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8142 |
26.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
66 |
|
[CL]E:193 |
1 |
1 |
125 |
◊ |
E |
z,x,y |
5_555 |
3 |
1 |
8385 |
26.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
D |
3 |
1 |
8504 |
◊ |
[CL]D:186 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
125 |
14.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
20.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
68 |
|
[ZN]D:184 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
8142 |
25.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[ZN]E:187 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
8266 |
23.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[ZN]A:186 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
8385 |
22.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
|
[ZN]B:184 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8504 |
8.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
20.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
72 |
|
[CL]D:186 |
1 |
1 |
125 |
f |
[ZN]D:185 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.009 |
38 |
73 |
|
[CL]D:190 |
1 |
1 |
125 |
f |
[ZN]D:183 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.009 |
39 |
74 |
|
[ZN]D:185 |
1 |
1 |
98 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
4 |
3 |
8142 |
23.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
|
A |
3 |
2 |
8266 |
◊ |
[ZN]E:190 |
z,x,y |
5_555 |
1 |
1 |
98 |
10.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
16.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
76 |
|
[CL]B:190 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
8504 |
22.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
77 |
|
D |
4 |
2 |
8504 |
◊ |
[ZN]A:185 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
98 |
22.6 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
78 |
|
[CL]E:195 |
1 |
1 |
125 |
◊ |
E |
z,x,y |
5_555 |
3 |
2 |
8385 |
19.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
|
[CL]A:192 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8222 |
12.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
80 |
|
D |
3 |
2 |
8504 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
4 |
2 |
8266 |
19.1 |
-0.4 |
0.508 |
0 |
0 |
0 |
0.000 |
81 |
|
C |
1 |
1 |
8222 |
◊ |
E |
z,x,y |
5_555 |
2 |
1 |
8385 |
1.0 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
Average: |
10.0 |
-0.2 |
0.576 |
0 |
0 |
0 |
0.000 |
44 |
82 |
|
B |
2 |
2 |
8142 |
◊ |
[CL]E:196 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
125 |
18.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
83 |
|
[CL]D:191 |
1 |
1 |
125 |
f |
[CL]D:190 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.003 |
46 |
84 |
|
[CL]B:190 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8222 |
17.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
85 |
|
E |
4 |
2 |
8385 |
◊ |
[CL]E:192 |
z,x,y |
5_555 |
1 |
1 |
125 |
17.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
|
[CL]D:190 |
1 |
1 |
125 |
◊ |
D |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
8504 |
7.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
87 |
|
A |
1 |
1 |
8266 |
◊ |
[CL]E:193 |
z,x,y |
5_555 |
1 |
1 |
125 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
88 |
|
[ZN]C:185 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8266 |
15.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
|
E |
4 |
2 |
8385 |
◊ |
[ZN]E:189 |
z,x,y |
5_555 |
1 |
1 |
98 |
14.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
90 |
|
[ZN]B:186 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
8222 |
13.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
91 |
|
[ZN]D:183 |
1 |
1 |
98 |
◊ |
D |
-z,x+1/2,-y+1/2 |
8_555 |
3 |
2 |
8504 |
9.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
92 |
|
[ZN]A:185 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8142 |
6.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
93 |
|
D |
3 |
1 |
8504 |
◊ |
[CL]B:189 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
125 |
14.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
94 |
|
[CL]C:188 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
8142 |
12.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
95 |
|
[CL]B:189 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8266 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
6.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
96 |
|
[ZN]B:184 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
8266 |
12.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
97 |
|
D |
1 |
1 |
8504 |
◊ |
[ZN]D:184 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
98 |
11.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
98 |
|
[ZN]A:186 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8222 |
10.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
99 |
|
[ZN]E:187 |
1 |
1 |
98 |
◊ |
E |
z,x,y |
5_555 |
2 |
2 |
8385 |
10.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
100 |
|
[ZN]C:184 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8142 |
9.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
10.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
101 |
|
[CL]D:190 |
1 |
1 |
125 |
◊ |
[CL]A:192 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
125 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
102 |
|
C |
3 |
1 |
8222 |
◊ |
[ZN]E:190 |
z,x,y |
5_555 |
1 |
1 |
98 |
7.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
103 |
|
[ZN]D:185 |
1 |
1 |
98 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
2 |
1 |
8266 |
6.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
7.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
104 |
|
[ZN]D:185 |
1 |
1 |
98 |
◊ |
[CL]B:189 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
125 |
6.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
105 |
|
E |
1 |
1 |
8385 |
◊ |
[CL]E:193 |
z,x,y |
5_555 |
1 |
1 |
125 |
5.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
106 |
|
D |
1 |
1 |
8504 |
◊ |
[CL]A:192 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
125 |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
107 |
|
C |
1 |
1 |
8222 |
◊ |
[CL]E:195 |
z,x,y |
5_555 |
1 |
1 |
125 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
108 |
|
[ZN]A:188 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
8142 |
3.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
109 |
|
E |
1 |
1 |
8385 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8222 |
3.5 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
110 |
|
D |
2 |
1 |
8504 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
2 |
2 |
8142 |
3.1 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
Average: |
3.3 |
0.1 |
0.732 |
0 |
0 |
0 |
0.000 |
59 |
111 |
|
C |
1 |
1 |
8222 |
◊ |
[ZN]E:189 |
z,x,y |
5_555 |
1 |
1 |
98 |
3.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
112 |
|
[ZN]C:185 |
1 |
1 |
98 |
◊ |
E |
z,x,y |
5_555 |
1 |
1 |
8385 |
0.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
2.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
113 |
|
D |
1 |
1 |
8504 |
◊ |
[ZN]D:185 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
98 |
3.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
114 |
|
B |
1 |
1 |
8142 |
◊ |
[CL]E:191 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
125 |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
115 |
|
[ZN]D:185 |
1 |
1 |
98 |
◊ |
D |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
8504 |
1.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
116 |
|
[ZN]C:185 |
1 |
1 |
98 |
◊ |
[ZN]E:190 |
z,x,y |
5_555 |
1 |
1 |
98 |
1.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
117 |
|
[CL]E:192 |
1 |
1 |
125 |
f |
[ZN]E:188 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
118 |
|
[CL]D:186 |
1 |
1 |
125 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
8266 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
119 |
|
[CL]D:186 |
1 |
1 |
125 |
◊ |
[ZN]A:185 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
98 |
0.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
120 |
|
[CL]E:195 |
1 |
1 |
125 |
f |
[ZN]E:190 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|