| ## |
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 |
|
H |
94 |
22 |
8590 |
◊ |
G |
x,y,z |
1_555 |
89 |
21 |
8452 |
831.3 |
-10.6 |
0.174 |
13 |
11 |
0 |
0.465 |
2 |
|
T |
90 |
24 |
8367 |
◊ |
S |
x,y,z |
1_555 |
90 |
21 |
8396 |
831.3 |
-10.3 |
0.187 |
14 |
12 |
0 |
0.465 |
3 |
|
L |
87 |
21 |
8382 |
◊ |
K |
x,y,z |
1_555 |
90 |
24 |
8457 |
829.8 |
-10.7 |
0.148 |
15 |
12 |
0 |
0.465 |
4 |
|
F |
88 |
22 |
8364 |
◊ |
E |
x,y,z |
1_555 |
87 |
21 |
8378 |
829.2 |
-10.3 |
0.200 |
14 |
12 |
0 |
0.465 |
5 |
|
R |
87 |
21 |
8517 |
◊ |
Q |
x,y,z |
1_555 |
91 |
22 |
8431 |
826.5 |
-10.2 |
0.197 |
14 |
12 |
0 |
0.465 |
6 |
|
N |
92 |
22 |
8459 |
◊ |
M |
x,y,z |
1_555 |
93 |
23 |
8341 |
825.4 |
-9.8 |
0.238 |
14 |
12 |
0 |
0.465 |
7 |
|
D |
85 |
21 |
8458 |
◊ |
C |
x,y,z |
1_555 |
89 |
21 |
8362 |
821.5 |
-10.2 |
0.192 |
14 |
12 |
0 |
0.465 |
8 |
|
B |
92 |
21 |
8340 |
◊ |
A |
x,y,z |
1_555 |
90 |
22 |
8329 |
820.9 |
-10.1 |
0.208 |
13 |
10 |
0 |
0.465 |
9 |
|
V |
88 |
22 |
8390 |
◊ |
U |
x,y,z |
1_555 |
93 |
23 |
8443 |
819.3 |
-10.3 |
0.184 |
14 |
10 |
0 |
0.465 |
10 |
|
X |
86 |
22 |
8385 |
◊ |
W |
x,y,z |
1_555 |
94 |
23 |
8488 |
818.7 |
-10.3 |
0.168 |
14 |
10 |
0 |
0.465 |
11 |
|
P |
89 |
22 |
8351 |
◊ |
O |
x,y,z |
1_555 |
89 |
21 |
8399 |
815.5 |
-10.3 |
0.200 |
14 |
12 |
0 |
0.465 |
12 |
|
J |
89 |
22 |
8387 |
◊ |
I |
x,y,z |
1_555 |
87 |
22 |
8410 |
815.3 |
-10.4 |
0.170 |
14 |
12 |
0 |
0.465 |
| Average: |
823.7 |
-10.3 |
0.189 |
14 |
11 |
0 |
0.465 |
| 2 |
13 |
|
H |
48 |
15 |
8590 |
◊ |
B |
x,y,z |
1_555 |
55 |
13 |
8340 |
469.2 |
-4.3 |
0.447 |
5 |
0 |
0 |
0.195 |
14 |
|
D |
55 |
12 |
8458 |
◊ |
B |
x,y,z |
1_555 |
51 |
15 |
8340 |
468.0 |
-4.2 |
0.461 |
5 |
0 |
0 |
0.195 |
15 |
|
U |
55 |
12 |
8443 |
◊ |
S |
x,y,z |
1_555 |
48 |
15 |
8396 |
468.0 |
-4.0 |
0.447 |
5 |
0 |
0 |
0.195 |
16 |
|
T |
49 |
14 |
8367 |
◊ |
N |
x,y,z |
1_555 |
56 |
12 |
8459 |
467.4 |
-4.2 |
0.461 |
5 |
0 |
0 |
0.195 |
17 |
|
P |
57 |
13 |
8351 |
◊ |
N |
x,y,z |
1_555 |
49 |
15 |
8459 |
467.0 |
-4.4 |
0.450 |
5 |
0 |
0 |
0.195 |
18 |
|
U |
50 |
15 |
8443 |
◊ |
C |
x,y,z |
1_555 |
56 |
12 |
8362 |
464.6 |
-4.5 |
0.456 |
5 |
0 |
0 |
0.195 |
19 |
|
X |
49 |
15 |
8385 |
◊ |
M |
x,y,z |
1_555 |
56 |
12 |
8341 |
464.1 |
-4.3 |
0.463 |
5 |
0 |
0 |
0.195 |
20 |
|
J |
49 |
15 |
8387 |
◊ |
E |
x,y,z |
1_555 |
55 |
12 |
8378 |
462.9 |
-4.5 |
0.455 |
5 |
0 |
0 |
0.195 |
21 |
|
W |
55 |
12 |
8488 |
◊ |
O |
x,y,z |
1_555 |
50 |
15 |
8399 |
462.8 |
-4.6 |
0.410 |
5 |
0 |
0 |
0.195 |
22 |
|
X |
56 |
13 |
8385 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
8329 |
462.5 |
-4.5 |
0.444 |
5 |
0 |
0 |
0.195 |
23 |
|
S |
56 |
13 |
8396 |
◊ |
K |
x,y,z |
1_555 |
48 |
14 |
8457 |
462.5 |
-3.9 |
0.458 |
5 |
0 |
0 |
0.195 |
24 |
|
L |
48 |
15 |
8382 |
◊ |
A |
x,y,z |
1_555 |
55 |
12 |
8329 |
460.7 |
-4.3 |
0.456 |
5 |
0 |
0 |
0.195 |
25 |
|
Q |
49 |
15 |
8431 |
◊ |
J |
x,y,z |
1_555 |
54 |
12 |
8387 |
460.7 |
-3.9 |
0.484 |
5 |
0 |
0 |
0.195 |
26 |
|
K |
56 |
12 |
8457 |
◊ |
C |
x,y,z |
1_555 |
50 |
15 |
8362 |
458.9 |
-4.1 |
0.466 |
5 |
0 |
0 |
0.195 |
27 |
|
V |
54 |
12 |
8390 |
◊ |
E |
x,y,z |
1_555 |
48 |
14 |
8378 |
458.8 |
-3.9 |
0.500 |
5 |
0 |
0 |
0.195 |
28 |
|
W |
51 |
15 |
8488 |
◊ |
G |
x,y,z |
1_555 |
54 |
12 |
8452 |
458.8 |
-4.2 |
0.428 |
5 |
0 |
0 |
0.195 |
29 |
|
V |
49 |
15 |
8390 |
◊ |
Q |
x,y,z |
1_555 |
56 |
12 |
8431 |
458.8 |
-4.3 |
0.471 |
5 |
0 |
0 |
0.195 |
30 |
|
H |
54 |
12 |
8590 |
◊ |
F |
x,y,z |
1_555 |
48 |
14 |
8364 |
458.7 |
-3.9 |
0.470 |
5 |
0 |
0 |
0.195 |
31 |
|
I |
53 |
12 |
8410 |
◊ |
G |
x,y,z |
1_555 |
48 |
15 |
8452 |
458.3 |
-4.3 |
0.426 |
5 |
0 |
0 |
0.195 |
32 |
|
R |
57 |
12 |
8517 |
◊ |
P |
x,y,z |
1_555 |
50 |
15 |
8351 |
458.1 |
-4.2 |
0.465 |
5 |
0 |
0 |
0.195 |
33 |
|
F |
54 |
12 |
8364 |
◊ |
D |
x,y,z |
1_555 |
51 |
15 |
8458 |
458.0 |
-4.2 |
0.463 |
5 |
0 |
0 |
0.195 |
34 |
|
O |
55 |
12 |
8399 |
◊ |
I |
x,y,z |
1_555 |
49 |
15 |
8410 |
457.0 |
-4.4 |
0.440 |
5 |
0 |
0 |
0.195 |
35 |
|
T |
56 |
12 |
8367 |
◊ |
R |
x,y,z |
1_555 |
49 |
15 |
8517 |
455.1 |
-4.2 |
0.452 |
5 |
0 |
0 |
0.195 |
36 |
|
M |
48 |
15 |
8341 |
◊ |
L |
x,y,z |
1_555 |
56 |
12 |
8382 |
453.4 |
-4.1 |
0.460 |
5 |
0 |
0 |
0.195 |
| Average: |
461.4 |
-4.2 |
0.455 |
5 |
0 |
0 |
0.195 |
| 3 |
37 |
|
W |
55 |
12 |
8488 |
◊ |
H |
x,y,z |
1_555 |
51 |
12 |
8590 |
465.7 |
-1.5 |
0.560 |
5 |
9 |
0 |
0.109 |
38 |
|
W |
51 |
12 |
8488 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
8329 |
462.1 |
-2.0 |
0.599 |
6 |
8 |
0 |
0.109 |
39 |
|
J |
49 |
12 |
8387 |
◊ |
G |
x,y,z |
1_555 |
52 |
13 |
8452 |
461.7 |
-1.9 |
0.563 |
6 |
8 |
0 |
0.109 |
40 |
|
V |
50 |
12 |
8390 |
◊ |
R |
x,y,z |
1_555 |
51 |
12 |
8517 |
461.3 |
-3.3 |
0.491 |
5 |
7 |
0 |
0.109 |
41 |
|
T |
49 |
11 |
8367 |
◊ |
K |
x,y,z |
1_555 |
53 |
13 |
8457 |
460.3 |
-1.3 |
0.624 |
5 |
7 |
0 |
0.109 |
42 |
|
C |
52 |
12 |
8362 |
◊ |
B |
x,y,z |
1_555 |
52 |
13 |
8340 |
458.9 |
-3.2 |
0.520 |
5 |
6 |
0 |
0.109 |
43 |
|
H |
50 |
14 |
8590 |
◊ |
A |
x,y,z |
1_555 |
50 |
11 |
8329 |
458.6 |
-2.1 |
0.598 |
5 |
6 |
0 |
0.109 |
44 |
|
X |
50 |
12 |
8385 |
◊ |
N |
x,y,z |
1_555 |
49 |
11 |
8459 |
456.7 |
-4.3 |
0.380 |
5 |
7 |
0 |
0.109 |
45 |
|
Q |
51 |
13 |
8431 |
◊ |
I |
x,y,z |
1_555 |
49 |
11 |
8410 |
455.0 |
-2.8 |
0.485 |
5 |
7 |
0 |
0.109 |
46 |
|
Q |
49 |
11 |
8431 |
◊ |
P |
x,y,z |
1_555 |
51 |
12 |
8351 |
453.5 |
-3.7 |
0.419 |
5 |
8 |
0 |
0.109 |
47 |
|
X |
50 |
12 |
8385 |
◊ |
O |
x,y,z |
1_555 |
51 |
12 |
8399 |
452.8 |
-4.4 |
0.387 |
5 |
6 |
0 |
0.109 |
48 |
|
L |
52 |
13 |
8382 |
◊ |
B |
x,y,z |
1_555 |
46 |
12 |
8340 |
451.7 |
-3.1 |
0.465 |
5 |
5 |
0 |
0.109 |
49 |
|
P |
50 |
11 |
8351 |
◊ |
I |
x,y,z |
1_555 |
53 |
12 |
8410 |
450.6 |
-3.2 |
0.473 |
6 |
5 |
0 |
0.109 |
50 |
|
E |
51 |
11 |
8378 |
◊ |
D |
x,y,z |
1_555 |
48 |
12 |
8458 |
449.6 |
-3.1 |
0.444 |
5 |
8 |
0 |
0.109 |
51 |
|
M |
52 |
12 |
8341 |
◊ |
K |
x,y,z |
1_555 |
49 |
11 |
8457 |
449.1 |
-4.2 |
0.364 |
5 |
5 |
0 |
0.109 |
52 |
|
U |
52 |
13 |
8443 |
◊ |
D |
x,y,z |
1_555 |
49 |
11 |
8458 |
448.1 |
-3.6 |
0.394 |
5 |
6 |
0 |
0.109 |
53 |
|
S |
50 |
11 |
8396 |
◊ |
R |
x,y,z |
1_555 |
47 |
12 |
8517 |
447.8 |
-3.1 |
0.444 |
4 |
7 |
0 |
0.109 |
54 |
|
T |
51 |
14 |
8367 |
◊ |
M |
x,y,z |
1_555 |
50 |
11 |
8341 |
444.7 |
-3.5 |
0.433 |
5 |
6 |
0 |
0.109 |
55 |
|
G |
49 |
11 |
8452 |
◊ |
F |
x,y,z |
1_555 |
53 |
13 |
8364 |
444.6 |
-3.2 |
0.457 |
5 |
6 |
0 |
0.109 |
56 |
|
U |
49 |
11 |
8443 |
◊ |
E |
x,y,z |
1_555 |
51 |
14 |
8378 |
442.4 |
-3.9 |
0.369 |
5 |
7 |
0 |
0.109 |
57 |
|
O |
49 |
11 |
8399 |
◊ |
N |
x,y,z |
1_555 |
50 |
12 |
8459 |
442.2 |
-4.8 |
0.342 |
7 |
6 |
0 |
0.109 |
58 |
|
J |
49 |
14 |
8387 |
◊ |
F |
x,y,z |
1_555 |
47 |
11 |
8364 |
440.6 |
-2.2 |
0.550 |
5 |
6 |
0 |
0.109 |
59 |
|
V |
51 |
11 |
8390 |
◊ |
S |
x,y,z |
1_555 |
51 |
14 |
8396 |
439.5 |
-3.9 |
0.379 |
5 |
5 |
0 |
0.109 |
60 |
|
L |
51 |
11 |
8382 |
◊ |
C |
x,y,z |
1_555 |
50 |
13 |
8362 |
433.7 |
-3.5 |
0.435 |
5 |
6 |
0 |
0.109 |
| Average: |
451.3 |
-3.2 |
0.466 |
5 |
7 |
0 |
0.109 |
| 4 |
61 |
|
[HEM]S:159 |
39 |
1 |
832 |
◊ |
S |
x,y,z |
1_555 |
38 |
13 |
8396 |
337.7 |
-10.8 |
0.296 |
0 |
0 |
0 |
0.277 |
62 |
|
[HEM]K:159 |
39 |
1 |
831 |
◊ |
K |
x,y,z |
1_555 |
41 |
13 |
8457 |
337.4 |
-10.9 |
0.272 |
0 |
0 |
0 |
0.277 |
63 |
|
[HEM]V:159 |
40 |
1 |
830 |
◊ |
U |
x,y,z |
1_555 |
40 |
13 |
8443 |
337.2 |
-11.1 |
0.245 |
0 |
0 |
0 |
0.277 |
64 |
|
[HEM]C:159 |
39 |
1 |
830 |
◊ |
C |
x,y,z |
1_555 |
40 |
13 |
8362 |
335.3 |
-10.9 |
0.293 |
0 |
0 |
0 |
0.277 |
65 |
|
[HEM]P:159 |
38 |
1 |
828 |
◊ |
O |
x,y,z |
1_555 |
38 |
13 |
8399 |
333.9 |
-10.8 |
0.283 |
0 |
0 |
0 |
0.277 |
66 |
|
[HEM]N:159 |
38 |
1 |
827 |
◊ |
M |
x,y,z |
1_555 |
39 |
13 |
8341 |
333.6 |
-10.8 |
0.305 |
0 |
0 |
0 |
0.277 |
67 |
|
[HEM]J:159 |
38 |
1 |
826 |
◊ |
I |
x,y,z |
1_555 |
38 |
13 |
8410 |
332.9 |
-10.7 |
0.263 |
0 |
0 |
0 |
0.277 |
68 |
|
[HEM]Q:159 |
38 |
1 |
826 |
◊ |
Q |
x,y,z |
1_555 |
39 |
13 |
8431 |
331.4 |
-10.7 |
0.309 |
0 |
0 |
0 |
0.277 |
69 |
|
[HEM]A:159 |
38 |
1 |
824 |
◊ |
A |
x,y,z |
1_555 |
38 |
13 |
8329 |
331.1 |
-10.7 |
0.271 |
0 |
0 |
0 |
0.277 |
70 |
|
[HEM]X:159 |
39 |
1 |
821 |
◊ |
X |
x,y,z |
1_555 |
39 |
13 |
8385 |
330.5 |
-10.7 |
0.281 |
0 |
0 |
0 |
0.277 |
71 |
|
[HEM]H:159 |
39 |
1 |
824 |
◊ |
G |
x,y,z |
1_555 |
39 |
13 |
8452 |
329.5 |
-10.6 |
0.287 |
0 |
0 |
0 |
0.277 |
72 |
|
[HEM]F:159 |
37 |
1 |
827 |
◊ |
E |
x,y,z |
1_555 |
40 |
13 |
8378 |
327.6 |
-10.6 |
0.315 |
0 |
0 |
0 |
0.277 |
| Average: |
333.2 |
-10.8 |
0.285 |
0 |
0 |
0 |
0.277 |
| 5 |
73 |
|
[HEM]K:159 |
36 |
1 |
831 |
f |
L |
x,y,z |
1_555 |
39 |
13 |
8382 |
334.1 |
-11.1 |
0.251 |
0 |
0 |
0 |
0.274 |
74 |
|
[HEM]C:159 |
39 |
1 |
830 |
f |
D |
x,y,z |
1_555 |
37 |
13 |
8458 |
332.6 |
-10.9 |
0.244 |
0 |
0 |
0 |
0.274 |
75 |
|
[HEM]J:159 |
38 |
1 |
826 |
f |
J |
x,y,z |
1_555 |
38 |
13 |
8387 |
331.8 |
-10.5 |
0.295 |
0 |
0 |
0 |
0.274 |
76 |
|
[HEM]V:159 |
38 |
1 |
830 |
f |
V |
x,y,z |
1_555 |
39 |
13 |
8390 |
331.3 |
-10.8 |
0.260 |
0 |
0 |
0 |
0.274 |
77 |
|
[HEM]H:159 |
38 |
1 |
824 |
f |
H |
x,y,z |
1_555 |
39 |
13 |
8590 |
331.2 |
-10.8 |
0.266 |
0 |
0 |
0 |
0.274 |
78 |
|
[HEM]F:159 |
39 |
1 |
827 |
f |
F |
x,y,z |
1_555 |
39 |
13 |
8364 |
331.2 |
-10.8 |
0.277 |
0 |
0 |
0 |
0.274 |
79 |
|
[HEM]N:159 |
39 |
1 |
827 |
f |
N |
x,y,z |
1_555 |
39 |
13 |
8459 |
331.0 |
-10.7 |
0.286 |
0 |
0 |
0 |
0.274 |
80 |
|
[HEM]Q:159 |
36 |
1 |
826 |
f |
R |
x,y,z |
1_555 |
39 |
13 |
8517 |
330.1 |
-10.9 |
0.251 |
0 |
0 |
0 |
0.274 |
81 |
|
[HEM]P:159 |
39 |
1 |
828 |
f |
P |
x,y,z |
1_555 |
39 |
13 |
8351 |
329.8 |
-10.7 |
0.265 |
0 |
0 |
0 |
0.274 |
82 |
|
[HEM]S:159 |
38 |
1 |
832 |
f |
T |
x,y,z |
1_555 |
38 |
13 |
8367 |
328.1 |
-10.6 |
0.265 |
0 |
0 |
0 |
0.274 |
83 |
|
[HEM]A:159 |
39 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
41 |
13 |
8340 |
324.1 |
-10.5 |
0.300 |
0 |
0 |
0 |
0.274 |
84 |
|
[HEM]X:159 |
38 |
1 |
821 |
f |
W |
x,y,z |
1_555 |
38 |
13 |
8488 |
323.8 |
-10.5 |
0.249 |
0 |
0 |
0 |
0.274 |
| Average: |
329.9 |
-10.7 |
0.267 |
0 |
0 |
0 |
0.274 |
| 6 |
85 |
|
O |
22 |
7 |
8399 |
◊ |
H |
-x-1,y-1/2,-z+1/2 |
3_445 |
23 |
5 |
8590 |
228.5 |
0.6 |
0.700 |
3 |
2 |
0 |
0.000 |
| 7 |
86 |
|
N |
18 |
6 |
8459 |
◊ |
H |
-x-1,y-1/2,-z+1/2 |
3_445 |
10 |
3 |
8590 |
158.1 |
1.1 |
0.760 |
1 |
2 |
0 |
0.000 |
| 8 |
87 |
|
S |
18 |
7 |
8396 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
15 |
7 |
8329 |
126.6 |
1.0 |
0.755 |
1 |
0 |
0 |
0.000 |
| 9 |
88 |
|
R |
8 |
2 |
8517 |
◊ |
G |
-x-3/2,-y,z-1/2 |
2_354 |
8 |
4 |
8452 |
81.5 |
1.3 |
0.799 |
2 |
3 |
0 |
0.000 |
| 10 |
89 |
|
K |
13 |
4 |
8457 |
◊ |
W |
-x-1/2,-y,z-1/2 |
2_454 |
8 |
3 |
8488 |
80.5 |
1.7 |
0.834 |
1 |
0 |
0 |
0.000 |
| 11 |
90 |
|
J |
8 |
2 |
8387 |
◊ |
L |
x-1,y,z |
1_455 |
8 |
3 |
8382 |
78.9 |
1.0 |
0.825 |
1 |
4 |
0 |
0.000 |
| 12 |
91 |
|
I |
11 |
7 |
8410 |
◊ |
K |
x-1,y,z |
1_455 |
11 |
5 |
8457 |
73.5 |
2.7 |
0.924 |
0 |
0 |
0 |
0.000 |
| 13 |
92 |
|
[K]C:160 |
1 |
1 |
216 |
◊ |
S |
x,y,z |
1_555 |
8 |
3 |
8396 |
53.9 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.813 |
93 |
|
[K]N:160 |
1 |
1 |
216 |
◊ |
T |
x,y,z |
1_555 |
8 |
2 |
8367 |
53.9 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.813 |
94 |
|
[K]E:159 |
1 |
1 |
216 |
◊ |
Q |
x,y,z |
1_555 |
10 |
3 |
8431 |
53.7 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.813 |
95 |
|
[K]E:159 |
1 |
1 |
216 |
◊ |
V |
x,y,z |
1_555 |
9 |
3 |
8390 |
53.5 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.813 |
96 |
|
[K]B:159 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
8340 |
53.5 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.813 |
97 |
|
[K]A:160 |
1 |
1 |
216 |
◊ |
X |
x,y,z |
1_555 |
8 |
2 |
8385 |
53.3 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.813 |
98 |
|
[K]N:160 |
1 |
1 |
216 |
◊ |
R |
x,y,z |
1_555 |
9 |
2 |
8517 |
53.3 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.813 |
99 |
|
[K]N:160 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
8 |
3 |
8351 |
53.1 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.813 |
100 |
|
[K]A:160 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8329 |
53.1 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.813 |
101 |
|
[K]G:159 |
1 |
1 |
216 |
◊ |
O |
x,y,z |
1_555 |
7 |
2 |
8399 |
53.0 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.813 |
102 |
|
[K]G:159 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
8452 |
53.0 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.813 |
103 |
|
[K]B:159 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
8458 |
52.9 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.813 |
104 |
|
[K]B:159 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
8590 |
52.9 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.813 |
105 |
|
[K]A:160 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
9 |
3 |
8382 |
52.8 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.813 |
106 |
|
[K]C:160 |
1 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
10 |
3 |
8457 |
52.8 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.813 |
107 |
|
[K]G:159 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
8410 |
52.6 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.813 |
108 |
|
[K]E:159 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
8378 |
52.6 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.813 |
109 |
|
[K]C:160 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
8362 |
52.5 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.813 |
110 |
|
[K]N:160 |
1 |
1 |
216 |
◊ |
N |
x,y,z |
1_555 |
7 |
2 |
8459 |
52.5 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.813 |
111 |
|
[K]C:160 |
1 |
1 |
216 |
◊ |
U |
x,y,z |
1_555 |
8 |
2 |
8443 |
52.4 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.813 |
112 |
|
[K]G:159 |
1 |
1 |
216 |
◊ |
W |
x,y,z |
1_555 |
10 |
3 |
8488 |
52.4 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.813 |
113 |
|
[K]B:159 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
8364 |
52.4 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.813 |
114 |
|
[K]E:159 |
1 |
1 |
216 |
◊ |
J |
x,y,z |
1_555 |
9 |
3 |
8387 |
52.4 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.813 |
115 |
|
[K]A:160 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
8 |
3 |
8341 |
52.1 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.813 |
| Average: |
52.9 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.813 |
| 14 |
116 |
|
X |
6 |
2 |
8385 |
◊ |
H |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
2 |
8590 |
41.6 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
| 15 |
117 |
|
O |
5 |
3 |
8399 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
2 |
8340 |
39.3 |
0.7 |
0.824 |
0 |
0 |
0 |
0.000 |
| 16 |
118 |
|
R |
4 |
2 |
8517 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
8341 |
38.9 |
0.9 |
0.847 |
2 |
0 |
0 |
0.000 |
119 |
|
Q |
3 |
1 |
8431 |
◊ |
N |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
8459 |
23.1 |
0.4 |
0.776 |
0 |
0 |
0 |
0.000 |
| Average: |
31.0 |
0.7 |
0.812 |
1 |
0 |
0 |
0.000 |
| 17 |
120 |
|
E |
5 |
2 |
8378 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
8362 |
34.1 |
0.5 |
0.779 |
1 |
1 |
0 |
0.000 |
| 18 |
121 |
|
X |
3 |
2 |
8385 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
8340 |
27.0 |
0.2 |
0.623 |
0 |
0 |
0 |
0.000 |
| 19 |
122 |
|
S |
3 |
3 |
8396 |
◊ |
W |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
2 |
8488 |
25.1 |
0.7 |
0.805 |
1 |
1 |
0 |
0.000 |
| 20 |
123 |
|
O |
5 |
2 |
8399 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
8452 |
23.4 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
124 |
|
M |
5 |
2 |
8341 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8329 |
23.0 |
0.6 |
0.821 |
0 |
0 |
0 |
0.000 |
125 |
|
U |
5 |
2 |
8443 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
8457 |
22.3 |
0.5 |
0.807 |
0 |
0 |
0 |
0.000 |
126 |
|
Q |
5 |
2 |
8431 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
8378 |
21.5 |
0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
127 |
|
R |
5 |
2 |
8517 |
◊ |
N |
x,y,z |
1_555 |
5 |
2 |
8459 |
21.3 |
0.5 |
0.806 |
0 |
0 |
0 |
0.000 |
128 |
|
S |
5 |
2 |
8396 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8362 |
20.8 |
0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
129 |
|
F |
5 |
2 |
8364 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8340 |
20.4 |
0.5 |
0.801 |
0 |
0 |
0 |
0.000 |
130 |
|
V |
5 |
2 |
8390 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
8387 |
20.3 |
0.5 |
0.798 |
0 |
0 |
0 |
0.000 |
131 |
|
H |
5 |
2 |
8590 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
8458 |
19.9 |
0.5 |
0.788 |
0 |
0 |
0 |
0.000 |
132 |
|
T |
5 |
2 |
8367 |
◊ |
P |
x,y,z |
1_555 |
5 |
2 |
8351 |
19.9 |
0.4 |
0.786 |
0 |
0 |
0 |
0.000 |
133 |
|
X |
5 |
2 |
8385 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
8382 |
19.9 |
0.5 |
0.787 |
0 |
0 |
0 |
0.000 |
134 |
|
W |
5 |
2 |
8488 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
8410 |
19.4 |
0.5 |
0.783 |
0 |
0 |
0 |
0.000 |
| Average: |
21.0 |
0.5 |
0.801 |
0 |
0 |
0 |
0.000 |
| 21 |
135 |
|
O |
3 |
3 |
8399 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
8329 |
18.5 |
-0.2 |
0.505 |
0 |
0 |
0 |
0.000 |
| 22 |
136 |
|
X |
1 |
1 |
8385 |
◊ |
F |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
8364 |
16.9 |
-0.1 |
0.340 |
0 |
0 |
0 |
0.000 |
| 23 |
137 |
|
N |
1 |
1 |
8459 |
◊ |
G |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
8452 |
5.5 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
| 24 |
138 |
|
E |
1 |
1 |
8378 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8458 |
3.7 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
| 25 |
139 |
|
Q |
1 |
1 |
8431 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
8341 |
3.1 |
-0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
| 26 |
140 |
|
F |
2 |
1 |
8364 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8458 |
2.4 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
| 27 |
141 |
|
Q |
1 |
1 |
8431 |
◊ |
H |
-x-3/2,-y,z-1/2 |
2_354 |
1 |
1 |
8590 |
1.0 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| 28 |
142 |
|
Q |
1 |
1 |
8431 |
◊ |
T |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
8367 |
0.4 |
0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
| 29 |
143 |
|
P |
1 |
1 |
8351 |
◊ |
T |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
8367 |
0.3 |
0.0 |
0.708 |
0 |
0 |
0 |
0.000 |
|