| ## |
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 |
127 |
36 |
8106 |
◊ |
P |
-y+1,x-y+1,z |
2_665 |
122 |
36 |
8270 |
1231.6 |
-15.3 |
0.332 |
18 |
8 |
0 |
0.512 |
2 |
|
C |
122 |
35 |
8103 |
◊ |
B |
x,y,z |
1_555 |
122 |
36 |
8349 |
1231.3 |
-15.8 |
0.313 |
15 |
10 |
0 |
0.512 |
3 |
|
G |
120 |
36 |
8100 |
◊ |
F |
x,y,z |
1_555 |
120 |
35 |
8233 |
1228.3 |
-15.7 |
0.323 |
17 |
10 |
0 |
0.512 |
4 |
|
K |
121 |
36 |
8141 |
◊ |
J |
x,y,z |
1_555 |
122 |
35 |
8203 |
1227.5 |
-15.3 |
0.331 |
17 |
10 |
0 |
0.512 |
5 |
|
N |
122 |
35 |
8131 |
◊ |
M |
x,y,z |
1_555 |
120 |
35 |
8209 |
1226.4 |
-15.3 |
0.318 |
18 |
10 |
0 |
0.512 |
6 |
|
H |
121 |
35 |
8011 |
◊ |
E |
x,y,z |
1_555 |
118 |
35 |
8120 |
1222.2 |
-16.2 |
0.286 |
18 |
11 |
0 |
0.512 |
7 |
|
D |
116 |
36 |
8160 |
◊ |
A |
x,y,z |
1_555 |
119 |
36 |
8174 |
1215.9 |
-15.4 |
0.311 |
15 |
6 |
0 |
0.512 |
8 |
|
L |
117 |
36 |
8180 |
◊ |
I |
x,y,z |
1_555 |
117 |
35 |
8222 |
1202.9 |
-15.8 |
0.302 |
16 |
11 |
0 |
0.512 |
| Average: |
1223.3 |
-15.6 |
0.314 |
17 |
10 |
0 |
0.512 |
| 2 |
9 |
|
L |
54 |
11 |
8180 |
x |
D |
x,y,z |
1_555 |
52 |
16 |
8160 |
513.0 |
-8.6 |
0.247 |
3 |
3 |
0 |
0.655 |
10 |
|
E |
51 |
16 |
8120 |
x |
B |
x,y,z |
1_555 |
54 |
12 |
8349 |
503.2 |
-8.4 |
0.270 |
3 |
3 |
0 |
0.655 |
11 |
|
K |
54 |
12 |
8141 |
x |
B |
x,y,z |
1_555 |
50 |
16 |
8349 |
503.2 |
-8.9 |
0.221 |
2 |
2 |
0 |
0.655 |
12 |
|
I |
48 |
16 |
8222 |
x |
F |
x,y,z |
1_555 |
55 |
12 |
8233 |
503.1 |
-8.8 |
0.241 |
3 |
2 |
0 |
0.655 |
13 |
|
G |
51 |
16 |
8100 |
x |
A |
x,y,z |
1_555 |
54 |
11 |
8174 |
503.0 |
-8.5 |
0.248 |
3 |
3 |
0 |
0.655 |
14 |
|
I |
55 |
12 |
8222 |
x |
C |
x,y,z |
1_555 |
49 |
16 |
8103 |
502.9 |
-8.7 |
0.225 |
3 |
3 |
0 |
0.655 |
15 |
|
K |
50 |
16 |
8141 |
x |
E |
x,y,z |
1_555 |
54 |
12 |
8120 |
500.6 |
-8.5 |
0.243 |
3 |
3 |
0 |
0.655 |
16 |
|
P |
53 |
16 |
8270 |
x |
O |
x,y,z |
1_555 |
53 |
11 |
8106 |
500.3 |
-8.7 |
0.225 |
3 |
3 |
0 |
0.655 |
17 |
|
P |
55 |
12 |
8270 |
x |
N |
x,y,z |
1_555 |
51 |
16 |
8131 |
500.3 |
-8.7 |
0.228 |
3 |
2 |
0 |
0.655 |
18 |
|
M |
52 |
16 |
8209 |
x |
M |
-y+1,x-y+1,z |
2_665 |
55 |
12 |
8209 |
499.5 |
-8.7 |
0.244 |
3 |
3 |
0 |
0.655 |
19 |
|
J |
52 |
11 |
8203 |
x |
A |
x,y,z |
1_555 |
50 |
16 |
8174 |
498.4 |
-8.5 |
0.236 |
3 |
2 |
0 |
0.655 |
20 |
|
J |
49 |
16 |
8203 |
x |
G |
x,y,z |
1_555 |
55 |
12 |
8100 |
496.2 |
-9.0 |
0.205 |
3 |
2 |
0 |
0.655 |
21 |
|
F |
48 |
16 |
8233 |
x |
C |
x,y,z |
1_555 |
55 |
12 |
8103 |
494.9 |
-8.6 |
0.231 |
3 |
2 |
0 |
0.655 |
22 |
|
L |
48 |
16 |
8180 |
x |
H |
x,y,z |
1_555 |
54 |
12 |
8011 |
494.3 |
-8.4 |
0.242 |
3 |
2 |
0 |
0.655 |
23 |
|
O |
50 |
16 |
8106 |
x |
N |
x,y,z |
1_555 |
53 |
11 |
8131 |
488.8 |
-9.0 |
0.188 |
3 |
2 |
0 |
0.655 |
24 |
|
H |
51 |
16 |
8011 |
x |
D |
x,y,z |
1_555 |
52 |
11 |
8160 |
487.7 |
-8.8 |
0.215 |
3 |
3 |
0 |
0.655 |
| Average: |
499.3 |
-8.7 |
0.232 |
3 |
3 |
0 |
0.655 |
| 3 |
25 |
|
F |
57 |
11 |
8233 |
x |
B |
x,y,z |
1_555 |
50 |
12 |
8349 |
466.9 |
-7.0 |
0.366 |
3 |
3 |
0 |
0.141 |
26 |
|
J |
44 |
10 |
8203 |
x |
F |
x,y,z |
1_555 |
39 |
10 |
8233 |
379.9 |
-4.6 |
0.456 |
2 |
3 |
0 |
0.141 |
27 |
|
G |
44 |
9 |
8100 |
x |
D |
x,y,z |
1_555 |
39 |
10 |
8160 |
375.5 |
-3.6 |
0.514 |
3 |
4 |
0 |
0.141 |
28 |
|
H |
42 |
9 |
8011 |
x |
A |
x,y,z |
1_555 |
40 |
10 |
8174 |
375.2 |
-3.6 |
0.509 |
3 |
4 |
0 |
0.141 |
29 |
|
I |
40 |
10 |
8222 |
x |
D |
x,y,z |
1_555 |
44 |
9 |
8160 |
374.6 |
-3.5 |
0.523 |
3 |
4 |
0 |
0.141 |
30 |
|
E |
43 |
9 |
8120 |
x |
C |
x,y,z |
1_555 |
39 |
10 |
8103 |
373.4 |
-3.8 |
0.485 |
3 |
3 |
0 |
0.141 |
31 |
|
M |
41 |
9 |
8209 |
x |
N |
-y+1,x-y+1,z |
2_665 |
38 |
10 |
8131 |
373.2 |
-3.8 |
0.476 |
3 |
3 |
0 |
0.141 |
32 |
|
O |
39 |
10 |
8106 |
x |
N |
-y+1,x-y+1,z |
2_665 |
41 |
9 |
8131 |
373.0 |
-4.0 |
0.434 |
3 |
3 |
0 |
0.141 |
33 |
|
J |
39 |
10 |
8203 |
x |
B |
x,y,z |
1_555 |
42 |
8 |
8349 |
372.2 |
-3.4 |
0.516 |
3 |
4 |
0 |
0.141 |
34 |
|
L |
38 |
10 |
8180 |
x |
C |
x,y,z |
1_555 |
43 |
9 |
8103 |
371.3 |
-4.1 |
0.465 |
2 |
3 |
0 |
0.141 |
35 |
|
I |
43 |
9 |
8222 |
x |
G |
x,y,z |
1_555 |
38 |
10 |
8100 |
370.7 |
-3.6 |
0.493 |
3 |
4 |
0 |
0.141 |
36 |
|
K |
42 |
9 |
8141 |
x |
H |
x,y,z |
1_555 |
37 |
10 |
8011 |
369.5 |
-3.7 |
0.477 |
3 |
3 |
0 |
0.141 |
37 |
|
O |
43 |
9 |
8106 |
x |
M |
x,y,z |
1_555 |
39 |
10 |
8209 |
369.4 |
-3.6 |
0.505 |
3 |
3 |
0 |
0.141 |
38 |
|
K |
39 |
10 |
8141 |
x |
A |
x,y,z |
1_555 |
43 |
9 |
8174 |
368.8 |
-3.6 |
0.509 |
3 |
3 |
0 |
0.141 |
39 |
|
P |
44 |
9 |
8270 |
x |
P |
-y+1,x-y+1,z |
2_665 |
38 |
10 |
8270 |
366.6 |
-3.6 |
0.496 |
3 |
3 |
0 |
0.141 |
40 |
|
L |
43 |
9 |
8180 |
x |
E |
x,y,z |
1_555 |
38 |
10 |
8120 |
363.9 |
-4.6 |
0.445 |
2 |
3 |
0 |
0.141 |
| Average: |
377.8 |
-4.0 |
0.479 |
3 |
3 |
0 |
0.141 |
| 4 |
41 |
|
J |
44 |
12 |
8203 |
◊ |
H |
-y+1,x-y,z |
2_655 |
42 |
12 |
8011 |
438.5 |
-6.8 |
0.267 |
2 |
4 |
0 |
0.024 |
42 |
|
N |
49 |
12 |
8131 |
◊ |
C |
y,x,-z+1 |
4_556 |
48 |
13 |
8103 |
437.4 |
-6.9 |
0.312 |
2 |
4 |
0 |
0.024 |
| Average: |
437.9 |
-6.9 |
0.290 |
2 |
4 |
0 |
0.024 |
| 5 |
43 |
|
F |
37 |
12 |
8233 |
◊ |
O |
-y+1,x-y,z |
2_655 |
42 |
14 |
8106 |
348.5 |
0.7 |
0.844 |
6 |
4 |
0 |
0.000 |
| 6 |
44 |
|
B |
25 |
9 |
8349 |
◊ |
O |
-y+1,x-y,z |
2_655 |
37 |
10 |
8106 |
284.5 |
-3.8 |
0.362 |
1 |
0 |
0 |
0.000 |
| 7 |
45 |
|
G |
20 |
7 |
8100 |
◊ |
G |
x-y,-y,-z |
5_555 |
20 |
7 |
8100 |
224.3 |
-1.5 |
0.569 |
4 |
0 |
0 |
0.000 |
| 8 |
46 |
|
I |
22 |
9 |
8222 |
◊ |
G |
-y,x-y,z |
2_555 |
19 |
6 |
8100 |
185.9 |
1.6 |
0.818 |
4 |
0 |
0 |
0.000 |
| 9 |
47 |
|
D |
14 |
4 |
8160 |
◊ |
D |
x-y,-y,-z |
5_555 |
14 |
4 |
8160 |
107.6 |
-0.0 |
0.732 |
0 |
0 |
0 |
0.000 |
| 10 |
48 |
|
N |
12 |
4 |
8131 |
◊ |
B |
y,x,-z+1 |
4_556 |
11 |
5 |
8349 |
80.0 |
-1.3 |
0.450 |
0 |
0 |
0 |
0.007 |
49 |
|
M |
11 |
5 |
8209 |
◊ |
C |
y,x,-z+1 |
4_556 |
10 |
4 |
8103 |
72.1 |
-1.0 |
0.489 |
0 |
0 |
0 |
0.007 |
50 |
|
J |
6 |
3 |
8203 |
◊ |
E |
-y+1,x-y,z |
2_655 |
9 |
4 |
8120 |
54.4 |
-1.3 |
0.358 |
0 |
0 |
0 |
0.007 |
51 |
|
K |
5 |
3 |
8141 |
◊ |
H |
-y+1,x-y,z |
2_655 |
6 |
2 |
8011 |
39.1 |
-1.0 |
0.376 |
0 |
0 |
0 |
0.007 |
| Average: |
61.4 |
-1.1 |
0.418 |
0 |
0 |
0 |
0.007 |
| 11 |
52 |
|
G |
7 |
2 |
8100 |
◊ |
A |
x-y,-y,-z |
5_555 |
10 |
2 |
8174 |
72.0 |
1.4 |
0.846 |
1 |
2 |
0 |
0.000 |
| 12 |
53 |
|
D |
4 |
1 |
8160 |
◊ |
D |
y,x,-z |
4_555 |
4 |
1 |
8160 |
58.0 |
-1.3 |
0.217 |
0 |
0 |
0 |
0.000 |
| 13 |
54 |
|
[FE]O:615 |
1 |
1 |
137 |
◊ |
P |
-y+1,x-y+1,z |
2_665 |
12 |
6 |
8270 |
53.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.291 |
55 |
|
[FE]A:601 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
8160 |
53.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.291 |
56 |
|
O |
11 |
6 |
8106 |
◊ |
[FE]P:616 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
53.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.291 |
57 |
|
[FE]G:607 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
8233 |
53.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.291 |
58 |
|
[FE]L:612 |
1 |
1 |
137 |
◊ |
I |
x,y,z |
1_555 |
12 |
6 |
8222 |
52.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.291 |
59 |
|
[FE]I:609 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
12 |
6 |
8180 |
52.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.291 |
60 |
|
[FE]H:608 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
12 |
6 |
8120 |
51.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.291 |
61 |
|
[FE]N:614 |
1 |
1 |
137 |
◊ |
M |
x,y,z |
1_555 |
12 |
6 |
8209 |
51.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.291 |
62 |
|
[FE]K:611 |
1 |
1 |
137 |
◊ |
J |
x,y,z |
1_555 |
12 |
6 |
8203 |
51.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.291 |
63 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
8103 |
51.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.291 |
64 |
|
[FE]M:613 |
1 |
1 |
137 |
◊ |
N |
x,y,z |
1_555 |
12 |
6 |
8131 |
50.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.291 |
65 |
|
[FE]F:606 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
12 |
6 |
8100 |
50.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.291 |
66 |
|
[FE]J:610 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
12 |
6 |
8141 |
50.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.291 |
67 |
|
[FE]E:605 |
1 |
1 |
137 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
8011 |
50.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.291 |
68 |
|
[FE]D:604 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
8174 |
49.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.291 |
69 |
|
[FE]C:603 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
8349 |
48.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.291 |
| Average: |
51.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.291 |
| 14 |
70 |
|
P |
9 |
3 |
8270 |
◊ |
K |
y,x,-z |
4_555 |
5 |
1 |
8141 |
53.3 |
0.4 |
0.664 |
1 |
0 |
0 |
0.000 |
| 15 |
71 |
|
[FE]C:603 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
8103 |
50.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.351 |
72 |
|
[FE]L:612 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
5 |
2 |
8180 |
50.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.351 |
73 |
|
[FE]N:614 |
1 |
1 |
137 |
f |
N |
x,y,z |
1_555 |
6 |
2 |
8131 |
49.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.351 |
74 |
|
[FE]P:616 |
1 |
1 |
137 |
f |
P |
x,y,z |
1_555 |
6 |
2 |
8270 |
49.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.351 |
75 |
|
[FE]A:601 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
8174 |
49.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.351 |
76 |
|
[FE]H:608 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
6 |
2 |
8011 |
49.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.351 |
77 |
|
[FE]O:615 |
1 |
1 |
137 |
f |
O |
x,y,z |
1_555 |
6 |
2 |
8106 |
49.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.351 |
78 |
|
[FE]M:613 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
6 |
2 |
8209 |
48.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.351 |
79 |
|
[FE]F:606 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
8233 |
48.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.351 |
80 |
|
[FE]D:604 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
8160 |
48.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.351 |
81 |
|
[FE]J:610 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
6 |
2 |
8203 |
48.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.351 |
82 |
|
[FE]G:607 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
8100 |
47.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.351 |
83 |
|
[FE]K:611 |
1 |
1 |
137 |
f |
K |
x,y,z |
1_555 |
6 |
2 |
8141 |
47.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.351 |
84 |
|
[FE]I:609 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
7 |
2 |
8222 |
47.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.351 |
85 |
|
[FE]B:602 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
8349 |
46.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.351 |
86 |
|
[FE]E:605 |
1 |
1 |
137 |
cf |
E |
x,y,z |
1_555 |
6 |
2 |
8120 |
46.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.351 |
| Average: |
48.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.351 |
| 16 |
87 |
|
B |
2 |
1 |
8349 |
◊ |
M |
-y+1,x-y,z |
2_655 |
9 |
5 |
8209 |
45.2 |
1.1 |
0.836 |
1 |
0 |
0 |
0.000 |
| 17 |
88 |
|
K |
6 |
2 |
8141 |
◊ |
E |
-y+1,x-y,z |
2_655 |
4 |
1 |
8120 |
30.5 |
0.4 |
0.775 |
0 |
0 |
0 |
0.000 |
89 |
|
M |
6 |
1 |
8209 |
◊ |
B |
y,x,-z+1 |
4_556 |
6 |
2 |
8349 |
29.4 |
0.4 |
0.773 |
0 |
0 |
0 |
0.000 |
| Average: |
30.0 |
0.4 |
0.774 |
0 |
0 |
0 |
0.000 |
| 18 |
90 |
|
D |
3 |
1 |
8160 |
◊ |
A |
y,x,-z |
4_555 |
6 |
3 |
8174 |
16.1 |
0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
| 19 |
91 |
|
[FE]E:605 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
8180 |
14.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
92 |
|
[FE]I:609 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
8160 |
13.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
93 |
|
[FE]J:610 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8349 |
13.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
94 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
8233 |
12.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
95 |
|
[FE]D:604 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
8100 |
11.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.019 |
96 |
|
[FE]F:606 |
1 |
1 |
137 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
8203 |
11.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.019 |
97 |
|
[FE]K:611 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
8174 |
11.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.019 |
98 |
|
[FE]C:603 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
8120 |
10.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.019 |
99 |
|
[FE]M:613 |
1 |
1 |
137 |
◊ |
O |
x,y,z |
1_555 |
3 |
2 |
8106 |
9.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.019 |
100 |
|
[FE]G:607 |
1 |
1 |
137 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
8222 |
9.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
101 |
|
M |
3 |
2 |
8209 |
◊ |
[FE]N:614 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
8.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
102 |
|
[FE]H:608 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
8141 |
8.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
103 |
|
[FE]A:601 |
1 |
1 |
137 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
8011 |
6.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.019 |
104 |
|
P |
3 |
2 |
8270 |
◊ |
[FE]P:616 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
6.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.019 |
105 |
|
[FE]O:615 |
1 |
1 |
137 |
◊ |
N |
-y+1,x-y+1,z |
2_665 |
2 |
2 |
8131 |
5.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.019 |
106 |
|
[FE]L:612 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
8103 |
4.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
9.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.019 |
| 20 |
107 |
|
L |
1 |
1 |
8180 |
◊ |
L |
y,x,-z+1 |
4_556 |
1 |
1 |
8180 |
9.8 |
0.7 |
0.939 |
0 |
0 |
0 |
0.000 |
| 21 |
108 |
|
P |
1 |
1 |
8270 |
◊ |
K |
x-y,-y+1,-z |
5_565 |
1 |
1 |
8141 |
0.3 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
|