| ## |
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 |
|
O |
233 |
57 |
13079 |
◊ |
I |
x,y,z |
1_555 |
238 |
58 |
13001 |
2504.4 |
-23.7 |
0.180 |
31 |
12 |
0 |
0.315 |
2 |
|
E |
232 |
60 |
13058 |
◊ |
E |
x,-y+2,-z+1 |
4_576 |
232 |
60 |
13058 |
2498.9 |
-22.6 |
0.175 |
29 |
10 |
0 |
0.315 |
3 |
|
L |
237 |
57 |
13035 |
◊ |
G |
x,y,z |
1_555 |
239 |
58 |
12975 |
2498.6 |
-22.8 |
0.213 |
33 |
12 |
0 |
0.315 |
4 |
|
N |
234 |
58 |
13006 |
◊ |
J |
x,y,z |
1_555 |
238 |
57 |
13037 |
2478.5 |
-24.3 |
0.166 |
27 |
9 |
0 |
0.315 |
5 |
|
M |
233 |
57 |
12948 |
◊ |
F |
x,y,z |
1_555 |
240 |
58 |
13051 |
2458.2 |
-24.0 |
0.146 |
33 |
14 |
0 |
0.315 |
6 |
|
D |
233 |
58 |
12981 |
◊ |
A |
x,-y+2,-z+1 |
4_576 |
235 |
58 |
13001 |
2454.3 |
-22.8 |
0.181 |
30 |
13 |
0 |
0.315 |
7 |
|
C |
239 |
57 |
12981 |
◊ |
B |
x,-y+2,-z+1 |
4_576 |
236 |
57 |
13156 |
2453.1 |
-23.1 |
0.176 |
30 |
11 |
0 |
0.315 |
8 |
|
K |
232 |
57 |
13021 |
◊ |
H |
x,y,z |
1_555 |
229 |
57 |
12972 |
2431.9 |
-25.5 |
0.116 |
31 |
11 |
0 |
0.315 |
| Average: |
2472.2 |
-23.6 |
0.169 |
31 |
12 |
0 |
0.315 |
| 2 |
9 |
|
G |
121 |
32 |
12975 |
◊ |
F |
x,y,z |
1_555 |
126 |
37 |
13051 |
1217.4 |
-0.6 |
0.785 |
21 |
15 |
0 |
0.206 |
10 |
|
N |
120 |
32 |
13006 |
◊ |
M |
x,y,z |
1_555 |
128 |
36 |
12948 |
1215.1 |
-0.2 |
0.800 |
21 |
15 |
0 |
0.206 |
11 |
|
E |
128 |
37 |
13058 |
◊ |
A |
x,y,z |
1_555 |
116 |
31 |
13001 |
1213.5 |
0.1 |
0.777 |
21 |
14 |
0 |
0.206 |
12 |
|
E |
114 |
31 |
13058 |
◊ |
D |
x,y,z |
1_555 |
127 |
37 |
12981 |
1212.3 |
-1.2 |
0.750 |
21 |
16 |
0 |
0.206 |
13 |
|
I |
117 |
33 |
13001 |
◊ |
H |
x,y,z |
1_555 |
124 |
36 |
12972 |
1210.4 |
0.4 |
0.819 |
23 |
15 |
0 |
0.206 |
14 |
|
J |
129 |
37 |
13037 |
◊ |
F |
x,y,z |
1_555 |
119 |
33 |
13051 |
1209.7 |
-2.7 |
0.701 |
20 |
15 |
0 |
0.206 |
15 |
|
C |
118 |
32 |
12981 |
◊ |
B |
x,y,z |
1_555 |
128 |
37 |
13156 |
1209.7 |
-1.9 |
0.726 |
21 |
14 |
0 |
0.206 |
16 |
|
O |
120 |
32 |
13079 |
◊ |
N |
x,y,z |
1_555 |
124 |
37 |
13006 |
1208.6 |
0.1 |
0.816 |
21 |
14 |
0 |
0.206 |
17 |
|
H |
118 |
32 |
12972 |
◊ |
G |
x,y,z |
1_555 |
137 |
38 |
12975 |
1205.2 |
-1.3 |
0.762 |
20 |
14 |
0 |
0.206 |
18 |
|
O |
126 |
38 |
13079 |
◊ |
K |
x,y,z |
1_555 |
120 |
32 |
13021 |
1205.1 |
-2.0 |
0.735 |
17 |
13 |
0 |
0.206 |
19 |
|
L |
118 |
32 |
13035 |
◊ |
K |
x,y,z |
1_555 |
126 |
37 |
13021 |
1200.3 |
-0.9 |
0.778 |
20 |
13 |
0 |
0.206 |
20 |
|
D |
116 |
32 |
12981 |
◊ |
C |
x,y,z |
1_555 |
128 |
36 |
12981 |
1196.4 |
-1.5 |
0.757 |
22 |
15 |
0 |
0.206 |
21 |
|
M |
115 |
31 |
12948 |
◊ |
L |
x,y,z |
1_555 |
127 |
35 |
13035 |
1189.5 |
-0.6 |
0.782 |
16 |
13 |
0 |
0.206 |
22 |
|
J |
118 |
33 |
13037 |
◊ |
I |
x,y,z |
1_555 |
130 |
36 |
13001 |
1189.0 |
-1.5 |
0.758 |
21 |
13 |
0 |
0.206 |
23 |
|
B |
116 |
32 |
13156 |
◊ |
A |
x,y,z |
1_555 |
127 |
36 |
13001 |
1182.7 |
0.4 |
0.788 |
20 |
14 |
0 |
0.206 |
| Average: |
1204.3 |
-0.9 |
0.769 |
20 |
14 |
0 |
0.206 |
| 3 |
24 |
|
K |
46 |
14 |
13021 |
◊ |
C |
-x+3/2,y-1/2,-z+3/2 |
7_646 |
40 |
11 |
12981 |
388.3 |
-6.9 |
0.142 |
3 |
2 |
0 |
0.063 |
25 |
|
B |
51 |
14 |
13156 |
◊ |
H |
-x+3/2,-y+3/2,z-1/2 |
6_664 |
33 |
10 |
12972 |
381.7 |
-7.1 |
0.110 |
3 |
2 |
0 |
0.063 |
26 |
|
M |
32 |
10 |
12948 |
◊ |
A |
-x+1,y-1,-z+3/2 |
3_646 |
46 |
14 |
13001 |
359.6 |
-6.8 |
0.102 |
2 |
1 |
0 |
0.063 |
27 |
|
D |
32 |
10 |
12981 |
◊ |
F |
-x+1,-y+1,z-1/2 |
2_664 |
45 |
12 |
13051 |
356.6 |
-6.2 |
0.132 |
3 |
2 |
0 |
0.063 |
| Average: |
371.5 |
-6.8 |
0.122 |
3 |
2 |
0 |
0.063 |
| 4 |
28 |
|
D |
33 |
11 |
12981 |
◊ |
J |
x-1/2,y+1/2,z |
5_455 |
32 |
11 |
13037 |
262.3 |
2.2 |
0.832 |
5 |
0 |
0 |
0.000 |
| 5 |
29 |
|
C |
28 |
10 |
12981 |
◊ |
C |
x,-y+2,-z+1 |
4_576 |
28 |
10 |
12981 |
255.6 |
2.6 |
0.862 |
6 |
4 |
0 |
0.003 |
30 |
|
D |
29 |
10 |
12981 |
◊ |
B |
x,-y+2,-z+1 |
4_576 |
26 |
9 |
13156 |
252.1 |
2.4 |
0.845 |
6 |
4 |
0 |
0.003 |
31 |
|
L |
26 |
10 |
13035 |
◊ |
H |
x,y,z |
1_555 |
27 |
10 |
12972 |
249.8 |
2.8 |
0.875 |
6 |
4 |
0 |
0.003 |
32 |
|
K |
26 |
9 |
13021 |
◊ |
I |
x,y,z |
1_555 |
26 |
9 |
13001 |
249.4 |
2.2 |
0.842 |
5 |
4 |
0 |
0.003 |
33 |
|
O |
26 |
10 |
13079 |
◊ |
J |
x,y,z |
1_555 |
28 |
10 |
13037 |
247.9 |
2.9 |
0.882 |
6 |
4 |
0 |
0.003 |
34 |
|
M |
28 |
10 |
12948 |
◊ |
G |
x,y,z |
1_555 |
26 |
10 |
12975 |
246.0 |
2.4 |
0.852 |
6 |
4 |
0 |
0.003 |
35 |
|
E |
27 |
10 |
13058 |
◊ |
A |
x,-y+2,-z+1 |
4_576 |
27 |
10 |
13001 |
244.7 |
2.7 |
0.860 |
5 |
4 |
0 |
0.003 |
36 |
|
N |
22 |
7 |
13006 |
◊ |
F |
x,y,z |
1_555 |
23 |
8 |
13051 |
234.9 |
3.0 |
0.887 |
6 |
4 |
0 |
0.003 |
| Average: |
247.6 |
2.6 |
0.863 |
6 |
4 |
0 |
0.003 |
| 6 |
37 |
|
F |
17 |
4 |
13051 |
◊ |
A |
-x+1,y-1,-z+3/2 |
3_646 |
18 |
4 |
13001 |
139.5 |
-0.4 |
0.613 |
0 |
0 |
0 |
0.001 |
38 |
|
B |
18 |
4 |
13156 |
◊ |
K |
-x+3/2,-y+3/2,z-1/2 |
6_664 |
18 |
5 |
13021 |
133.5 |
-0.4 |
0.614 |
0 |
0 |
0 |
0.001 |
| Average: |
136.5 |
-0.4 |
0.613 |
0 |
0 |
0 |
0.001 |
| 7 |
39 |
|
D |
12 |
4 |
12981 |
◊ |
M |
-x+1,-y+1,z-1/2 |
2_664 |
12 |
4 |
12948 |
123.6 |
-0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
40 |
|
H |
11 |
4 |
12972 |
◊ |
C |
-x+3/2,y-1/2,-z+3/2 |
7_646 |
10 |
4 |
12981 |
117.4 |
0.9 |
0.769 |
0 |
0 |
0 |
0.000 |
| Average: |
120.5 |
0.4 |
0.677 |
0 |
0 |
0 |
0.000 |
| 8 |
41 |
|
H |
7 |
4 |
12972 |
◊ |
H |
-x+2,y,-z+3/2 |
3_756 |
7 |
4 |
12972 |
68.2 |
1.8 |
0.876 |
0 |
0 |
0 |
0.000 |
| 9 |
42 |
|
B |
5 |
2 |
13156 |
◊ |
K |
x-1/2,-y+3/2,-z+2 |
8_467 |
5 |
4 |
13021 |
66.9 |
1.0 |
0.734 |
1 |
1 |
0 |
0.000 |
| 10 |
43 |
|
O |
8 |
4 |
13079 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
12972 |
57.4 |
-1.3 |
0.345 |
0 |
0 |
0 |
0.007 |
44 |
|
L |
8 |
4 |
13035 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
13051 |
52.6 |
-1.2 |
0.345 |
0 |
0 |
0 |
0.007 |
45 |
|
C |
8 |
4 |
12981 |
◊ |
A |
x,-y+2,-z+1 |
4_576 |
7 |
4 |
13001 |
52.2 |
-1.3 |
0.336 |
0 |
0 |
0 |
0.007 |
46 |
|
M |
6 |
4 |
12948 |
◊ |
J |
x,y,z |
1_555 |
7 |
4 |
13037 |
49.0 |
-1.2 |
0.331 |
0 |
0 |
0 |
0.007 |
47 |
|
N |
8 |
4 |
13006 |
◊ |
I |
x,y,z |
1_555 |
6 |
4 |
13001 |
48.4 |
-1.1 |
0.358 |
0 |
0 |
0 |
0.007 |
48 |
|
E |
5 |
4 |
13058 |
◊ |
D |
x,-y+2,-z+1 |
4_576 |
6 |
4 |
12981 |
47.3 |
-1.2 |
0.295 |
0 |
0 |
0 |
0.007 |
49 |
|
K |
7 |
4 |
13021 |
◊ |
G |
x,y,z |
1_555 |
6 |
4 |
12975 |
46.3 |
-1.1 |
0.342 |
0 |
0 |
0 |
0.007 |
50 |
|
B |
6 |
4 |
13156 |
◊ |
B |
x,-y+2,-z+1 |
4_576 |
6 |
4 |
13156 |
45.5 |
-1.0 |
0.364 |
0 |
0 |
0 |
0.007 |
| Average: |
49.9 |
-1.2 |
0.340 |
0 |
0 |
0 |
0.007 |
| 11 |
51 |
|
[CL]N:3358 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
5 |
3 |
13006 |
53.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.107 |
52 |
|
[CL]A:3350 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
13001 |
52.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.107 |
53 |
|
[CL]O:3359 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
6 |
3 |
13079 |
52.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.107 |
54 |
|
[CL]E:3349 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
13058 |
52.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.107 |
55 |
|
[CL]C:3347 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
12981 |
52.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.107 |
56 |
|
[CL]J:3354 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
5 |
3 |
13037 |
52.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.107 |
57 |
|
[CL]I:3353 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
5 |
3 |
13001 |
51.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.107 |
58 |
|
[CL]H:3352 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
5 |
3 |
12972 |
51.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.107 |
59 |
|
[CL]B:3346 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
13156 |
51.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.107 |
60 |
|
[CL]M:3357 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
5 |
3 |
12948 |
51.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.107 |
61 |
|
[CL]G:3351 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
3 |
12975 |
51.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.107 |
62 |
|
[CL]L:3356 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
5 |
3 |
13035 |
51.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.107 |
63 |
|
[CL]F:3355 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
13051 |
50.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.107 |
64 |
|
[CL]K:3360 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
5 |
3 |
13021 |
50.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.107 |
65 |
|
[CL]D:3348 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
12981 |
50.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
51.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.107 |
| 12 |
66 |
|
[ZN]K:3326 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
5 |
4 |
13021 |
50.4 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.643 |
67 |
|
[ZN]C:3318 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
5 |
4 |
12981 |
50.2 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.643 |
68 |
|
[ZN]A:3316 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13001 |
50.2 |
-37.9 |
0.000 |
0 |
0 |
0 |
0.643 |
69 |
|
[ZN]H:3323 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
4 |
4 |
12972 |
50.2 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.643 |
70 |
|
[ZN]B:3317 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
13156 |
50.0 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.643 |
71 |
|
[ZN]G:3322 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
4 |
4 |
12975 |
50.0 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.643 |
72 |
|
[ZN]J:3325 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
4 |
4 |
13037 |
49.9 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.643 |
73 |
|
[ZN]L:3327 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
6 |
4 |
13035 |
49.9 |
-38.7 |
0.000 |
0 |
0 |
0 |
0.643 |
74 |
|
[ZN]I:3324 |
1 |
1 |
98 |
cf |
I |
x,y,z |
1_555 |
5 |
4 |
13001 |
49.8 |
-38.7 |
0.000 |
0 |
0 |
0 |
0.643 |
75 |
|
[ZN]D:3319 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
12981 |
49.8 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.643 |
76 |
|
[ZN]O:3330 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
4 |
4 |
13079 |
49.7 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.643 |
77 |
|
[ZN]F:3321 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
4 |
4 |
13051 |
49.6 |
-38.8 |
0.000 |
0 |
0 |
0 |
0.643 |
78 |
|
[ZN]N:3329 |
1 |
1 |
98 |
cf |
N |
x,y,z |
1_555 |
4 |
4 |
13006 |
49.6 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.643 |
79 |
|
[ZN]E:3320 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
4 |
13058 |
49.6 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.643 |
80 |
|
[ZN]M:3328 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
6 |
4 |
12948 |
49.4 |
-37.8 |
0.000 |
0 |
0 |
0 |
0.643 |
| Average: |
49.9 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.643 |
| 13 |
81 |
|
[CL]A:3350 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
5 |
5 |
13058 |
38.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.065 |
82 |
|
[CL]J:3354 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
5 |
5 |
13001 |
38.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.065 |
83 |
|
[CL]D:3348 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
5 |
12981 |
38.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.065 |
84 |
|
[CL]G:3351 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
5 |
13051 |
38.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.065 |
85 |
|
[CL]E:3349 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
5 |
12981 |
38.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.065 |
86 |
|
[CL]L:3356 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
4 |
4 |
13021 |
37.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.065 |
87 |
|
[CL]C:3347 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
5 |
13156 |
36.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.065 |
88 |
|
[CL]B:3346 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
5 |
13001 |
36.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.065 |
89 |
|
[CL]H:3352 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
4 |
4 |
12975 |
35.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.065 |
90 |
|
[CL]K:3360 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
5 |
5 |
13079 |
35.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.065 |
91 |
|
[CL]O:3359 |
1 |
1 |
125 |
◊ |
N |
x,y,z |
1_555 |
5 |
5 |
13006 |
35.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.065 |
92 |
|
[CL]M:3357 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
4 |
4 |
13035 |
35.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.065 |
93 |
|
[CL]N:3358 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
6 |
5 |
12948 |
35.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.065 |
94 |
|
[CL]I:3353 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
4 |
4 |
12972 |
35.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.065 |
95 |
|
[CL]F:3355 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
5 |
5 |
13037 |
34.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
36.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.065 |
| 14 |
96 |
|
E |
4 |
1 |
13058 |
◊ |
J |
x-1/2,y+1/2,z |
5_455 |
4 |
3 |
13037 |
26.6 |
0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
| 15 |
97 |
|
F |
3 |
2 |
13051 |
◊ |
N |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
4 |
2 |
13006 |
23.6 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
| 16 |
98 |
|
L |
1 |
1 |
13035 |
◊ |
L |
-x+2,y,-z+5/2 |
3_757 |
1 |
1 |
13035 |
1.3 |
0.0 |
0.724 |
0 |
0 |
0 |
0.000 |
| 17 |
99 |
|
[ZN]B:3317 |
1 |
1 |
98 |
◊ |
C |
x,-y+2,-z+1 |
4_576 |
1 |
1 |
12981 |
1.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
100 |
|
[ZN]L:3327 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
12975 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
0.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
|