| ## |
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 |
100 |
29 |
8302 |
◊ |
C |
x,y,z |
1_555 |
100 |
30 |
8469 |
1000.9 |
-8.2 |
0.552 |
6 |
0 |
0 |
0.009 |
2 |
|
E |
98 |
29 |
8525 |
◊ |
A |
x,y,z |
1_555 |
92 |
28 |
8527 |
989.2 |
-8.1 |
0.502 |
7 |
0 |
0 |
0.009 |
3 |
|
F |
96 |
29 |
8424 |
◊ |
B |
x,y,z |
1_555 |
95 |
29 |
8467 |
975.7 |
-9.3 |
0.450 |
6 |
0 |
0 |
0.009 |
4 |
|
G |
96 |
29 |
8295 |
◊ |
D |
z,x,y |
5_555 |
91 |
28 |
8503 |
973.0 |
-8.4 |
0.523 |
6 |
0 |
0 |
0.009 |
| Average: |
984.7 |
-8.5 |
0.507 |
6 |
0 |
0 |
0.009 |
| 2 |
5 |
|
H |
46 |
14 |
8302 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
8527 |
477.7 |
-4.7 |
0.417 |
6 |
4 |
0 |
0.000 |
6 |
|
G |
51 |
14 |
8295 |
◊ |
D |
x,y,z |
1_555 |
49 |
14 |
8503 |
474.1 |
-4.0 |
0.511 |
6 |
4 |
0 |
0.000 |
7 |
|
F |
49 |
14 |
8424 |
◊ |
E |
x,y,z |
1_555 |
47 |
14 |
8525 |
474.0 |
-4.0 |
0.482 |
6 |
4 |
0 |
0.000 |
8 |
|
C |
50 |
14 |
8469 |
◊ |
B |
x,y,z |
1_555 |
46 |
14 |
8467 |
472.3 |
-5.0 |
0.395 |
5 |
4 |
0 |
0.000 |
9 |
|
C |
44 |
13 |
8469 |
◊ |
E |
z,x,y |
5_555 |
50 |
13 |
8525 |
464.9 |
-4.0 |
0.439 |
6 |
3 |
0 |
0.000 |
10 |
|
D |
50 |
14 |
8503 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
8527 |
458.7 |
-4.8 |
0.440 |
5 |
4 |
0 |
0.000 |
11 |
|
H |
44 |
14 |
8302 |
◊ |
G |
x,y,z |
1_555 |
43 |
12 |
8295 |
447.4 |
-4.9 |
0.424 |
5 |
4 |
0 |
0.000 |
12 |
|
B |
47 |
14 |
8467 |
◊ |
F |
z,x,y |
5_555 |
45 |
13 |
8424 |
445.2 |
-5.0 |
0.416 |
5 |
4 |
0 |
0.000 |
| Average: |
464.3 |
-4.6 |
0.440 |
6 |
4 |
0 |
0.000 |
| 3 |
13 |
|
F |
49 |
13 |
8424 |
x |
C |
x,y,z |
1_555 |
49 |
12 |
8469 |
441.8 |
-7.8 |
0.202 |
1 |
2 |
0 |
0.000 |
14 |
|
H |
49 |
12 |
8302 |
x |
D |
z,x,y |
5_555 |
48 |
13 |
8503 |
440.3 |
-7.3 |
0.237 |
2 |
2 |
0 |
0.000 |
15 |
|
C |
50 |
14 |
8469 |
x |
A |
x,y,z |
1_555 |
48 |
11 |
8527 |
439.5 |
-7.5 |
0.226 |
1 |
3 |
0 |
0.000 |
16 |
|
B |
50 |
11 |
8467 |
x |
B |
z,x,y |
5_555 |
50 |
13 |
8467 |
439.4 |
-7.6 |
0.227 |
0 |
1 |
0 |
0.000 |
17 |
|
H |
50 |
13 |
8302 |
x |
E |
z,x,y |
5_555 |
47 |
12 |
8525 |
437.5 |
-8.0 |
0.185 |
1 |
2 |
0 |
0.000 |
18 |
|
F |
47 |
12 |
8424 |
x |
A |
x,y,z |
1_555 |
48 |
12 |
8527 |
435.0 |
-7.6 |
0.206 |
1 |
2 |
0 |
0.000 |
19 |
|
E |
48 |
12 |
8525 |
x |
D |
x,y,z |
1_555 |
52 |
12 |
8503 |
434.9 |
-7.4 |
0.229 |
2 |
3 |
0 |
0.000 |
20 |
|
G |
48 |
14 |
8295 |
x |
G |
z,x,y |
5_555 |
50 |
12 |
8295 |
434.7 |
-7.5 |
0.269 |
1 |
1 |
0 |
0.000 |
| Average: |
437.9 |
-7.6 |
0.223 |
1 |
2 |
0 |
0.000 |
| 4 |
21 |
|
H |
21 |
7 |
8302 |
◊ |
H |
x,-y-1,-z |
4_545 |
21 |
7 |
8302 |
215.0 |
-0.0 |
0.762 |
2 |
4 |
0 |
0.000 |
22 |
|
E |
15 |
7 |
8525 |
◊ |
E |
-x-1,y,-z |
3_455 |
15 |
7 |
8525 |
142.7 |
2.4 |
0.928 |
0 |
0 |
0 |
0.000 |
23 |
|
F |
14 |
6 |
8424 |
◊ |
F |
-x-1,-y-1,z |
2_445 |
13 |
6 |
8424 |
116.8 |
-1.4 |
0.468 |
0 |
0 |
0 |
0.000 |
24 |
|
G |
11 |
5 |
8295 |
◊ |
G |
-x,y,-z |
3_555 |
11 |
5 |
8295 |
99.8 |
0.2 |
0.752 |
0 |
0 |
0 |
0.000 |
| Average: |
143.6 |
0.3 |
0.727 |
1 |
1 |
0 |
0.000 |
| 5 |
25 |
|
F |
20 |
7 |
8424 |
◊ |
B |
-x-1,-y-1,z |
2_445 |
18 |
6 |
8467 |
192.3 |
-4.0 |
0.184 |
0 |
0 |
0 |
0.000 |
| 6 |
26 |
|
A |
22 |
7 |
8527 |
◊ |
A |
-x-1,y,-z |
3_455 |
22 |
7 |
8527 |
183.5 |
-0.3 |
0.726 |
0 |
4 |
0 |
0.000 |
27 |
|
B |
17 |
6 |
8467 |
◊ |
B |
-x-1,-y-1,z |
2_445 |
17 |
6 |
8467 |
146.3 |
-0.5 |
0.679 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
8 |
4 |
8469 |
◊ |
C |
x,-y-1,-z |
4_545 |
8 |
4 |
8469 |
49.2 |
-1.3 |
0.365 |
0 |
0 |
0 |
0.000 |
| Average: |
126.3 |
-0.7 |
0.590 |
0 |
1 |
0 |
0.000 |
| 7 |
29 |
|
E |
17 |
7 |
8525 |
◊ |
A |
-x-1,y,-z |
3_455 |
14 |
5 |
8527 |
178.2 |
-3.2 |
0.224 |
0 |
0 |
0 |
0.000 |
| 8 |
30 |
|
G |
16 |
7 |
8295 |
◊ |
D |
-z,x,-y |
8_555 |
13 |
5 |
8503 |
160.5 |
-2.8 |
0.268 |
0 |
0 |
0 |
0.000 |
| 9 |
31 |
|
H |
17 |
6 |
8302 |
◊ |
C |
x,-y-1,-z |
4_545 |
12 |
4 |
8469 |
154.7 |
-3.1 |
0.206 |
0 |
0 |
0 |
0.000 |
| 10 |
32 |
|
D |
11 |
6 |
8503 |
◊ |
D |
x,-y,-z |
4_555 |
11 |
6 |
8503 |
83.5 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
| 11 |
33 |
|
[FE]H:203 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
8302 |
77.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.021 |
34 |
|
[FE]F:203 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
15 |
6 |
8424 |
74.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.021 |
35 |
|
[FE]E:203 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
8525 |
72.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.021 |
36 |
|
[FE]D:203 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
8503 |
59.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.021 |
37 |
|
[FE]B:204 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8467 |
56.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.021 |
38 |
|
[FE]A:204 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8527 |
56.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
66.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.021 |
| 12 |
39 |
|
[FE]C:204 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
8469 |
71.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.035 |
40 |
|
[FE]G:204 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
8295 |
66.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.035 |
41 |
|
[FE]B:205 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8467 |
55.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.035 |
42 |
|
[FE]D:205 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
8503 |
54.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.035 |
43 |
|
[FE]A:203 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
8527 |
53.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.035 |
44 |
|
[FE]H:204 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
8302 |
52.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.035 |
45 |
|
[FE]C:203 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
8469 |
52.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.035 |
46 |
|
[FE]A:205 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
8527 |
42.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
56.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.035 |
| 13 |
47 |
|
[FE]E:201 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
8525 |
68.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.023 |
48 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
8527 |
66.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.023 |
49 |
|
[FE]F:201 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
12 |
8 |
8424 |
65.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.023 |
50 |
|
[FE]B:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
8467 |
64.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.023 |
51 |
|
[FE]G:201 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
8295 |
64.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.023 |
52 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
8469 |
64.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.023 |
53 |
|
[FE]H:201 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
11 |
8 |
8302 |
63.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.023 |
54 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
8503 |
63.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
65.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.023 |
| 14 |
55 |
|
[FE]H:202 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
8302 |
56.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.022 |
56 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
8469 |
50.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.022 |
57 |
|
[FE]D:202 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
8503 |
48.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.022 |
58 |
|
[FE]F:202 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
8424 |
48.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.022 |
59 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
8467 |
48.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.022 |
60 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
8527 |
46.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.022 |
61 |
|
[FE]G:202 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
8295 |
46.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.022 |
62 |
|
[FE]E:202 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
7 |
6 |
8525 |
44.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
48.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.022 |
| 15 |
63 |
|
[FE]F:204 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
8424 |
51.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.017 |
64 |
|
[FE]E:204 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
8525 |
51.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.017 |
65 |
|
[FE]G:203 |
1 |
1 |
137 |
cf |
G |
x,y,z |
1_555 |
9 |
5 |
8295 |
49.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.017 |
66 |
|
[FE]D:204 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8503 |
42.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.017 |
67 |
|
[FE]B:203 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8467 |
41.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
47.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.017 |
| 16 |
68 |
|
[FE]G:204 |
1 |
1 |
137 |
f |
[FE]G:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.013 |
| 17 |
69 |
|
[FE]C:204 |
1 |
1 |
137 |
f |
[FE]C:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
33.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.012 |
| 18 |
70 |
|
[FE]B:205 |
1 |
1 |
137 |
f |
[FE]B:204 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.009 |
| 19 |
71 |
|
[FE]D:205 |
1 |
1 |
137 |
f |
[FE]D:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| 20 |
72 |
|
[FE]A:205 |
1 |
1 |
137 |
f |
[FE]A:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 21 |
73 |
|
[FE]A:204 |
1 |
1 |
137 |
f |
[FE]A:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 22 |
74 |
|
[FE]E:204 |
1 |
1 |
137 |
f |
[FE]E:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| 23 |
75 |
|
[FE]F:204 |
1 |
1 |
137 |
f |
[FE]F:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 24 |
76 |
|
[FE]B:205 |
1 |
1 |
137 |
f |
[FE]B:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| 25 |
77 |
|
[FE]H:204 |
1 |
1 |
137 |
f |
[FE]H:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 26 |
78 |
|
[FE]D:205 |
1 |
1 |
137 |
f |
[FE]D:204 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 27 |
79 |
|
[FE]A:205 |
1 |
1 |
137 |
f |
[FE]A:204 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 28 |
80 |
|
[FE]E:204 |
1 |
1 |
137 |
f |
[FE]E:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| 29 |
81 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
[FE]C:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 30 |
82 |
|
[FE]D:204 |
1 |
1 |
137 |
f |
[FE]D:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 31 |
83 |
|
[FE]B:204 |
1 |
1 |
137 |
f |
[FE]B:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 32 |
84 |
|
[FE]F:202 |
1 |
1 |
137 |
f |
[FE]F:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 33 |
85 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
[FE]B:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 34 |
86 |
|
[FE]D:202 |
1 |
1 |
137 |
f |
[FE]D:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 35 |
87 |
|
[FE]G:202 |
1 |
1 |
137 |
f |
[FE]G:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 36 |
88 |
|
[FE]G:203 |
1 |
1 |
137 |
f |
[FE]G:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 37 |
89 |
|
[FE]H:202 |
1 |
1 |
137 |
f |
[FE]H:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 38 |
90 |
|
[FE]F:204 |
1 |
1 |
137 |
f |
[FE]F:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 39 |
91 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.006 |
| 40 |
92 |
|
[FE]B:203 |
1 |
1 |
137 |
f |
[FE]B:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 41 |
93 |
|
[FE]D:204 |
1 |
1 |
137 |
f |
[FE]D:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.005 |
| 42 |
94 |
|
[FE]E:202 |
1 |
1 |
137 |
f |
[FE]E:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 43 |
95 |
|
[FE]A:205 |
1 |
1 |
137 |
f |
[FE]A:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.005 |
| 44 |
96 |
|
[FE]C:203 |
1 |
1 |
137 |
f |
[FE]C:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 45 |
97 |
|
G |
2 |
2 |
8295 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8527 |
15.5 |
-0.5 |
0.290 |
0 |
0 |
0 |
0.000 |
98 |
|
B |
2 |
2 |
8467 |
◊ |
E |
z,x,y |
5_555 |
2 |
2 |
8525 |
14.7 |
-0.5 |
0.301 |
0 |
0 |
0 |
0.000 |
99 |
|
H |
2 |
2 |
8302 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
8503 |
14.0 |
-0.4 |
0.308 |
0 |
0 |
0 |
0.000 |
100 |
|
C |
2 |
2 |
8469 |
◊ |
F |
z,x,y |
5_555 |
2 |
2 |
8424 |
13.7 |
-0.4 |
0.314 |
0 |
0 |
0 |
0.000 |
| Average: |
14.5 |
-0.5 |
0.303 |
0 |
0 |
0 |
0.000 |
| 46 |
101 |
|
[FE]E:203 |
1 |
1 |
137 |
f |
[FE]E:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
8.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 47 |
102 |
|
[FE]H:203 |
1 |
1 |
137 |
f |
[FE]H:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 48 |
103 |
|
[FE]G:204 |
1 |
1 |
137 |
f |
[FE]G:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 49 |
104 |
|
[FE]A:204 |
1 |
1 |
137 |
f |
[FE]A:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
4.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| 50 |
105 |
|
[FE]A:203 |
1 |
1 |
137 |
f |
[FE]A:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
4.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| 51 |
106 |
|
[FE]D:203 |
1 |
1 |
137 |
f |
[FE]D:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
107 |
|
[FE]B:204 |
1 |
1 |
137 |
f |
[FE]B:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
108 |
|
[FE]F:203 |
1 |
1 |
137 |
f |
[FE]F:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
109 |
|
[FE]C:204 |
1 |
1 |
137 |
f |
[FE]C:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
110 |
|
[FE]B:205 |
1 |
1 |
137 |
f |
[FE]B:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
0.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 56 |
111 |
|
[FE]F:204 |
1 |
1 |
137 |
f |
[FE]F:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 57 |
112 |
|
[FE]E:204 |
1 |
1 |
137 |
f |
[FE]E:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|