## |
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 |
|
B |
873 |
221 |
52967 |
◊ |
A |
x,y,z |
1_555 |
910 |
257 |
70760 |
8736.2 |
-104.9 |
0.046 |
99 |
23 |
0 |
0.798 |
2 |
|
N |
872 |
220 |
53339 |
◊ |
M |
x,y,z |
1_555 |
913 |
251 |
70692 |
8733.4 |
-102.6 |
0.063 |
93 |
26 |
0 |
0.798 |
Average: |
8734.8 |
-103.7 |
0.055 |
96 |
25 |
0 |
0.798 |
2 |
3 |
|
Q |
203 |
48 |
13417 |
◊ |
M |
x,y,z |
1_555 |
220 |
69 |
70692 |
2015.6 |
-20.1 |
0.296 |
19 |
5 |
0 |
0.441 |
4 |
|
E |
204 |
48 |
13420 |
◊ |
A |
x,y,z |
1_555 |
225 |
68 |
70760 |
2013.0 |
-20.1 |
0.325 |
19 |
5 |
0 |
0.441 |
Average: |
2014.3 |
-20.1 |
0.311 |
19 |
5 |
0 |
0.441 |
3 |
5 |
|
G |
200 |
55 |
9759 |
◊ |
D |
x,y,z |
1_555 |
192 |
55 |
11269 |
1900.0 |
-24.4 |
0.777 |
15 |
4 |
0 |
1.000 |
6 |
|
S |
201 |
56 |
9761 |
◊ |
P |
x,y,z |
1_555 |
194 |
56 |
11217 |
1899.1 |
-24.4 |
0.793 |
15 |
4 |
0 |
1.000 |
Average: |
1899.5 |
-24.4 |
0.785 |
15 |
4 |
0 |
1.000 |
4 |
7 |
|
F |
200 |
51 |
5738 |
◊ |
A |
x,y,z |
1_555 |
207 |
53 |
70760 |
1818.9 |
-19.0 |
0.596 |
14 |
4 |
0 |
0.294 |
8 |
|
R |
200 |
53 |
5751 |
◊ |
M |
x,y,z |
1_555 |
203 |
52 |
70692 |
1805.8 |
-19.3 |
0.590 |
13 |
4 |
0 |
0.294 |
Average: |
1812.4 |
-19.1 |
0.593 |
14 |
4 |
0 |
0.294 |
5 |
9 |
|
K |
171 |
44 |
8167 |
◊ |
C |
x,y,z |
1_555 |
160 |
51 |
16198 |
1783.1 |
-36.4 |
0.157 |
9 |
4 |
0 |
1.000 |
10 |
|
W |
170 |
44 |
8172 |
◊ |
O |
x,y,z |
1_555 |
161 |
50 |
16175 |
1777.3 |
-36.2 |
0.151 |
9 |
4 |
0 |
1.000 |
Average: |
1780.2 |
-36.3 |
0.154 |
9 |
4 |
0 |
1.000 |
6 |
11 |
|
C |
181 |
45 |
16198 |
◊ |
B |
x,y,z |
1_555 |
180 |
48 |
52967 |
1584.9 |
-7.7 |
0.901 |
20 |
9 |
0 |
0.564 |
12 |
|
O |
183 |
45 |
16175 |
◊ |
N |
x,y,z |
1_555 |
183 |
48 |
53339 |
1584.0 |
-7.7 |
0.904 |
20 |
9 |
0 |
0.564 |
Average: |
1584.5 |
-7.7 |
0.903 |
20 |
9 |
0 |
0.564 |
7 |
13 |
|
V |
135 |
31 |
4852 |
◊ |
N |
x,y,z |
1_555 |
175 |
55 |
53339 |
1481.0 |
-19.4 |
0.429 |
11 |
3 |
0 |
1.000 |
14 |
|
J |
139 |
31 |
4848 |
◊ |
B |
x,y,z |
1_555 |
176 |
54 |
52967 |
1480.6 |
-19.4 |
0.425 |
11 |
3 |
0 |
1.000 |
Average: |
1480.8 |
-19.4 |
0.427 |
11 |
3 |
0 |
1.000 |
8 |
15 |
|
U |
154 |
37 |
9096 |
◊ |
M |
x,y,z |
1_555 |
159 |
39 |
70692 |
1434.1 |
-14.3 |
0.521 |
15 |
6 |
0 |
0.223 |
16 |
|
I |
153 |
37 |
9059 |
◊ |
A |
x,y,z |
1_555 |
157 |
39 |
70760 |
1431.5 |
-14.3 |
0.523 |
15 |
6 |
0 |
0.223 |
Average: |
1432.8 |
-14.3 |
0.522 |
15 |
6 |
0 |
0.223 |
9 |
17 |
|
I |
151 |
37 |
9059 |
◊ |
B |
x,y,z |
1_555 |
148 |
40 |
52967 |
1373.8 |
-13.0 |
0.561 |
5 |
5 |
0 |
0.220 |
18 |
|
U |
153 |
37 |
9096 |
◊ |
N |
x,y,z |
1_555 |
144 |
39 |
53339 |
1367.2 |
-13.2 |
0.549 |
5 |
4 |
0 |
0.220 |
Average: |
1370.5 |
-13.1 |
0.555 |
5 |
5 |
0 |
0.220 |
10 |
19 |
|
T |
150 |
35 |
8751 |
◊ |
M |
x,y,z |
1_555 |
134 |
40 |
70692 |
1317.0 |
-17.1 |
0.254 |
16 |
4 |
0 |
0.400 |
20 |
|
H |
147 |
34 |
8668 |
◊ |
A |
x,y,z |
1_555 |
135 |
40 |
70760 |
1313.6 |
-17.1 |
0.269 |
16 |
4 |
0 |
0.400 |
Average: |
1315.3 |
-17.1 |
0.261 |
16 |
4 |
0 |
0.400 |
11 |
21 |
|
J |
102 |
26 |
4848 |
◊ |
C |
x,y,z |
1_555 |
110 |
33 |
16198 |
1028.9 |
-10.0 |
0.807 |
11 |
3 |
0 |
0.264 |
22 |
|
V |
99 |
26 |
4852 |
◊ |
O |
x,y,z |
1_555 |
111 |
33 |
16175 |
1028.4 |
-9.9 |
0.807 |
11 |
3 |
0 |
0.264 |
Average: |
1028.7 |
-10.0 |
0.807 |
11 |
3 |
0 |
0.264 |
12 |
23 |
|
X |
98 |
23 |
4334 |
◊ |
N |
x,y,z |
1_555 |
107 |
32 |
53339 |
963.2 |
-0.1 |
0.898 |
13 |
9 |
0 |
0.225 |
24 |
|
L |
98 |
23 |
4325 |
◊ |
B |
x,y,z |
1_555 |
107 |
31 |
52967 |
961.5 |
0.1 |
0.899 |
13 |
9 |
0 |
0.225 |
Average: |
962.3 |
-0.0 |
0.899 |
13 |
9 |
0 |
0.225 |
13 |
25 |
|
K |
84 |
24 |
8167 |
◊ |
A |
x,y,z |
1_555 |
90 |
29 |
70760 |
778.4 |
-6.6 |
0.687 |
5 |
3 |
0 |
0.024 |
26 |
|
W |
84 |
24 |
8172 |
◊ |
M |
x,y,z |
1_555 |
88 |
27 |
70692 |
776.1 |
-6.5 |
0.680 |
5 |
3 |
0 |
0.024 |
Average: |
777.3 |
-6.5 |
0.684 |
5 |
3 |
0 |
0.024 |
14 |
27 |
|
G |
55 |
16 |
9759 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
70760 |
487.4 |
-7.3 |
0.348 |
4 |
2 |
0 |
0.024 |
28 |
|
S |
47 |
15 |
9761 |
◊ |
M |
x,y,z |
1_555 |
34 |
9 |
70692 |
383.1 |
-6.0 |
0.387 |
3 |
0 |
0 |
0.024 |
Average: |
435.2 |
-6.7 |
0.368 |
4 |
1 |
0 |
0.024 |
15 |
29 |
|
X |
40 |
9 |
4334 |
◊ |
O |
x,y,z |
1_555 |
70 |
18 |
16175 |
471.0 |
-4.4 |
0.620 |
5 |
2 |
0 |
0.215 |
30 |
|
L |
40 |
9 |
4325 |
◊ |
C |
x,y,z |
1_555 |
69 |
18 |
16198 |
470.3 |
-4.3 |
0.614 |
5 |
2 |
0 |
0.215 |
Average: |
470.6 |
-4.3 |
0.617 |
5 |
2 |
0 |
0.215 |
16 |
31 |
|
G |
44 |
13 |
9759 |
◊ |
F |
x,y,z |
1_555 |
44 |
15 |
5738 |
432.6 |
-5.2 |
0.504 |
1 |
0 |
0 |
0.014 |
32 |
|
S |
34 |
12 |
9761 |
◊ |
R |
x,y,z |
1_555 |
27 |
12 |
5751 |
307.6 |
-4.7 |
0.444 |
1 |
0 |
0 |
0.014 |
Average: |
370.1 |
-5.0 |
0.474 |
1 |
0 |
0 |
0.014 |
17 |
33 |
|
K |
41 |
14 |
8167 |
◊ |
B |
x,y,z |
1_555 |
50 |
15 |
52967 |
415.6 |
-1.0 |
0.864 |
2 |
4 |
0 |
0.024 |
34 |
|
W |
41 |
14 |
8172 |
◊ |
N |
x,y,z |
1_555 |
49 |
15 |
53339 |
413.3 |
-0.9 |
0.868 |
2 |
4 |
0 |
0.024 |
Average: |
414.4 |
-0.9 |
0.866 |
2 |
4 |
0 |
0.024 |
18 |
35 |
|
S |
32 |
12 |
9761 |
◊ |
U |
x-1,y,z |
1_455 |
37 |
12 |
9096 |
347.5 |
-0.9 |
0.760 |
3 |
0 |
0 |
0.000 |
19 |
36 |
|
T |
34 |
9 |
8751 |
◊ |
S |
-x,y-1/2,-z+1 |
2_546 |
33 |
12 |
9761 |
316.2 |
-4.5 |
0.372 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
G |
30 |
11 |
9759 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
35 |
11 |
8668 |
314.3 |
-3.2 |
0.424 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
O |
33 |
8 |
16175 |
◊ |
M |
x,y,z |
1_555 |
37 |
10 |
70692 |
304.8 |
-2.9 |
0.624 |
2 |
0 |
0 |
0.013 |
39 |
|
C |
33 |
8 |
16198 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
70760 |
304.1 |
-2.9 |
0.628 |
2 |
0 |
0 |
0.013 |
Average: |
304.4 |
-2.9 |
0.626 |
2 |
0 |
0 |
0.013 |
22 |
40 |
|
P |
22 |
7 |
11217 |
◊ |
N |
x,y,z |
1_555 |
24 |
8 |
53339 |
238.1 |
-3.9 |
0.360 |
0 |
0 |
0 |
0.009 |
41 |
|
D |
16 |
6 |
11269 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
52967 |
172.2 |
-2.6 |
0.481 |
2 |
0 |
0 |
0.009 |
Average: |
205.1 |
-3.2 |
0.421 |
1 |
0 |
0 |
0.009 |
23 |
42 |
|
T |
22 |
9 |
8751 |
◊ |
U |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
10 |
9096 |
212.7 |
-1.2 |
0.603 |
0 |
0 |
0 |
0.000 |
24 |
43 |
|
L |
22 |
9 |
4325 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
18 |
5 |
11269 |
205.9 |
-2.2 |
0.580 |
2 |
0 |
0 |
0.000 |
25 |
44 |
|
P |
15 |
5 |
11217 |
◊ |
X |
-x,y-1/2,-z+1 |
2_546 |
19 |
8 |
4334 |
188.8 |
-1.9 |
0.588 |
1 |
0 |
0 |
0.000 |
26 |
45 |
|
H |
19 |
5 |
8668 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
16198 |
182.7 |
-1.1 |
0.697 |
1 |
1 |
0 |
0.005 |
46 |
|
T |
19 |
5 |
8751 |
◊ |
O |
x,y,z |
1_555 |
22 |
6 |
16175 |
182.1 |
-1.1 |
0.692 |
1 |
1 |
0 |
0.005 |
Average: |
182.4 |
-1.1 |
0.694 |
1 |
1 |
0 |
0.005 |
27 |
47 |
|
B |
17 |
5 |
52967 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
17 |
5 |
5738 |
155.9 |
-0.1 |
0.452 |
1 |
0 |
0 |
0.000 |
48 |
|
R |
16 |
4 |
5751 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
17 |
5 |
53339 |
148.0 |
-1.4 |
0.449 |
0 |
0 |
0 |
0.000 |
Average: |
152.0 |
-0.8 |
0.450 |
1 |
0 |
0 |
0.000 |
28 |
49 |
|
W |
19 |
6 |
8172 |
◊ |
T |
x,y,z |
1_555 |
16 |
6 |
8751 |
149.5 |
-1.3 |
0.601 |
0 |
0 |
0 |
0.003 |
50 |
|
K |
18 |
6 |
8167 |
◊ |
H |
x,y,z |
1_555 |
17 |
6 |
8668 |
148.9 |
-1.3 |
0.617 |
0 |
0 |
0 |
0.003 |
Average: |
149.2 |
-1.3 |
0.609 |
0 |
0 |
0 |
0.003 |
29 |
51 |
|
P |
10 |
3 |
11217 |
◊ |
M |
x-1,y,z |
1_455 |
15 |
5 |
70692 |
138.9 |
-2.7 |
0.279 |
0 |
0 |
0 |
0.000 |
30 |
52 |
|
C |
17 |
7 |
16198 |
◊ |
O |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
7 |
16175 |
135.0 |
-1.5 |
0.646 |
0 |
0 |
0 |
0.000 |
31 |
53 |
|
Q |
15 |
4 |
13417 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
70760 |
125.3 |
-1.2 |
0.557 |
1 |
0 |
0 |
0.000 |
32 |
54 |
|
L |
17 |
6 |
4325 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
8 |
4 |
9759 |
104.9 |
-0.0 |
0.733 |
0 |
0 |
0 |
0.000 |
55 |
|
S |
8 |
4 |
9761 |
◊ |
X |
-x,y-1/2,-z+1 |
2_546 |
15 |
6 |
4334 |
97.4 |
0.3 |
0.769 |
0 |
0 |
0 |
0.000 |
Average: |
101.2 |
0.2 |
0.751 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
B |
14 |
5 |
52967 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
10 |
3 |
11269 |
94.7 |
-1.2 |
0.528 |
0 |
0 |
0 |
0.000 |
57 |
|
P |
10 |
3 |
11217 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
13 |
5 |
53339 |
91.2 |
-1.2 |
0.503 |
0 |
0 |
0 |
0.000 |
Average: |
92.9 |
-1.2 |
0.515 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
L |
11 |
4 |
4325 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
11 |
3 |
70760 |
93.8 |
-0.8 |
0.556 |
1 |
0 |
0 |
0.000 |
59 |
|
M |
7 |
2 |
70692 |
◊ |
X |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
4334 |
74.0 |
-0.9 |
0.435 |
1 |
0 |
0 |
0.000 |
Average: |
83.9 |
-0.9 |
0.496 |
1 |
0 |
0 |
0.000 |
35 |
60 |
|
C |
10 |
4 |
16198 |
◊ |
W |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
8172 |
92.5 |
-1.4 |
0.467 |
1 |
0 |
0 |
0.000 |
61 |
|
K |
5 |
1 |
8167 |
◊ |
O |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
16175 |
89.2 |
-1.3 |
0.407 |
1 |
0 |
0 |
0.000 |
Average: |
90.9 |
-1.3 |
0.437 |
1 |
0 |
0 |
0.000 |
36 |
62 |
|
F |
13 |
4 |
5738 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
13420 |
92.3 |
-1.4 |
0.484 |
0 |
0 |
0 |
0.015 |
63 |
|
R |
14 |
4 |
5751 |
◊ |
Q |
x,y,z |
1_555 |
8 |
4 |
13417 |
91.9 |
-1.4 |
0.490 |
0 |
0 |
0 |
0.015 |
Average: |
92.1 |
-1.4 |
0.487 |
0 |
0 |
0 |
0.015 |
37 |
64 |
|
A |
17 |
7 |
70760 |
◊ |
O |
-x,y-1/2,-z+1 |
2_546 |
11 |
4 |
16175 |
91.9 |
-1.5 |
0.503 |
0 |
0 |
0 |
0.000 |
38 |
65 |
|
D |
9 |
3 |
11269 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
70760 |
71.0 |
-1.9 |
0.355 |
0 |
0 |
0 |
0.004 |
66 |
|
P |
8 |
3 |
11217 |
◊ |
M |
x,y,z |
1_555 |
6 |
4 |
70692 |
68.6 |
-1.6 |
0.315 |
0 |
0 |
0 |
0.004 |
Average: |
69.8 |
-1.7 |
0.335 |
0 |
0 |
0 |
0.004 |
39 |
67 |
|
R |
9 |
5 |
5751 |
◊ |
N |
x,y,z |
1_555 |
9 |
5 |
53339 |
68.6 |
-0.5 |
0.612 |
0 |
0 |
0 |
0.002 |
68 |
|
F |
9 |
4 |
5738 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
52967 |
67.4 |
-0.5 |
0.598 |
0 |
0 |
0 |
0.002 |
Average: |
68.0 |
-0.5 |
0.605 |
0 |
0 |
0 |
0.002 |
40 |
69 |
|
S |
9 |
3 |
9761 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
53339 |
68.5 |
-0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
70 |
|
B |
7 |
1 |
52967 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
9759 |
57.4 |
-0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
Average: |
63.0 |
-0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
41 |
71 |
|
G |
13 |
6 |
9759 |
◊ |
S |
-x,y-1/2,-z |
2_545 |
10 |
5 |
9761 |
64.1 |
-0.8 |
0.700 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
X |
8 |
4 |
4334 |
◊ |
V |
x,y,z |
1_555 |
4 |
2 |
4852 |
63.5 |
-0.8 |
0.412 |
0 |
0 |
0 |
0.002 |
73 |
|
L |
8 |
4 |
4325 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
4848 |
62.9 |
-0.8 |
0.415 |
0 |
0 |
0 |
0.002 |
Average: |
63.2 |
-0.8 |
0.414 |
0 |
0 |
0 |
0.002 |
43 |
74 |
|
G |
8 |
5 |
9759 |
◊ |
U |
-x+1,y-1/2,-z |
2_645 |
8 |
3 |
9096 |
61.7 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
44 |
75 |
|
T |
8 |
4 |
8751 |
◊ |
N |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
53339 |
53.7 |
-0.2 |
0.653 |
1 |
0 |
0 |
0.000 |
45 |
76 |
|
[ZN]M:1802 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
8 |
5 |
70692 |
51.6 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.602 |
77 |
|
[ZN]A:1802 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
70760 |
49.9 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.602 |
Average: |
50.8 |
-37.3 |
0.000 |
0 |
0 |
0 |
0.602 |
46 |
78 |
|
[ZN]U:202 |
1 |
1 |
98 |
f |
U |
x,y,z |
1_555 |
5 |
4 |
9096 |
50.7 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.535 |
79 |
|
[ZN]I:202 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
7 |
5 |
9059 |
50.7 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.535 |
Average: |
50.7 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.535 |
47 |
80 |
|
J |
5 |
3 |
4848 |
◊ |
V |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
3 |
4852 |
40.8 |
-1.3 |
0.413 |
0 |
0 |
0 |
0.000 |
48 |
81 |
|
D |
3 |
2 |
11269 |
◊ |
S |
-x,y-1/2,-z |
2_545 |
5 |
2 |
9761 |
30.3 |
-1.0 |
0.373 |
0 |
0 |
0 |
0.000 |
49 |
82 |
|
R |
4 |
1 |
5751 |
◊ |
M |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
70692 |
23.3 |
-0.3 |
0.498 |
0 |
0 |
0 |
0.000 |
83 |
|
A |
2 |
1 |
70760 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
5738 |
17.5 |
-0.3 |
0.418 |
0 |
0 |
0 |
0.000 |
Average: |
20.4 |
-0.3 |
0.458 |
0 |
0 |
0 |
0.000 |
50 |
84 |
|
J |
3 |
1 |
4848 |
◊ |
O |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
16175 |
21.0 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
85 |
|
C |
3 |
1 |
16198 |
◊ |
V |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
4852 |
18.3 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
Average: |
19.6 |
0.2 |
0.782 |
0 |
0 |
0 |
0.000 |
51 |
86 |
|
S |
3 |
2 |
9761 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
53339 |
17.5 |
-0.3 |
0.510 |
0 |
0 |
0 |
0.000 |
87 |
|
G |
3 |
3 |
9759 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
52967 |
17.3 |
-0.2 |
0.564 |
0 |
0 |
0 |
0.000 |
Average: |
17.4 |
-0.3 |
0.537 |
0 |
0 |
0 |
0.001 |
52 |
88 |
|
Q |
2 |
1 |
13417 |
◊ |
N |
x,y,z |
1_555 |
3 |
1 |
53339 |
16.9 |
-0.3 |
0.424 |
0 |
0 |
0 |
0.001 |
89 |
|
E |
2 |
1 |
13420 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
52967 |
7.9 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.001 |
Average: |
12.4 |
-0.2 |
0.490 |
0 |
0 |
0 |
0.001 |
53 |
90 |
|
H |
3 |
2 |
8668 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
70692 |
14.3 |
-0.3 |
0.419 |
0 |
0 |
0 |
0.000 |
54 |
91 |
|
H |
1 |
1 |
8668 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
52967 |
12.8 |
0.2 |
0.505 |
0 |
0 |
0 |
0.000 |
92 |
|
T |
1 |
1 |
8751 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
53339 |
12.7 |
0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
Average: |
12.7 |
0.2 |
0.507 |
0 |
0 |
0 |
0.000 |
55 |
93 |
|
[ZN]A:1802 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
52967 |
5.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
56 |
94 |
|
H |
1 |
1 |
8668 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
13417 |
1.7 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
57 |
95 |
|
S |
1 |
1 |
9761 |
◊ |
M |
x-1,y,z |
1_455 |
1 |
1 |
70692 |
0.7 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
|