| ## |
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 |
|
M |
369 |
94 |
13655 |
◊ |
A |
x,y,z |
1_555 |
348 |
82 |
11561 |
3547.5 |
-31.7 |
0.256 |
55 |
20 |
0 |
0.794 |
2 |
|
N |
372 |
94 |
13625 |
◊ |
B |
x,y,z |
1_555 |
347 |
82 |
11550 |
3541.2 |
-31.6 |
0.226 |
54 |
19 |
0 |
0.794 |
3 |
|
Q |
367 |
94 |
13621 |
◊ |
E |
x,y,z |
1_555 |
348 |
83 |
11514 |
3532.9 |
-30.7 |
0.265 |
56 |
20 |
0 |
0.794 |
4 |
|
O |
374 |
93 |
13608 |
◊ |
C |
x,y,z |
1_555 |
346 |
82 |
11564 |
3531.4 |
-29.8 |
0.258 |
53 |
20 |
0 |
0.794 |
5 |
|
P |
367 |
94 |
13562 |
◊ |
D |
x,y,z |
1_555 |
347 |
82 |
11487 |
3528.0 |
-29.4 |
0.242 |
56 |
21 |
0 |
0.794 |
6 |
|
R |
364 |
94 |
13637 |
◊ |
F |
x,y,z |
1_555 |
348 |
82 |
11503 |
3523.0 |
-29.8 |
0.242 |
54 |
21 |
0 |
0.794 |
| Average: |
3534.0 |
-30.5 |
0.248 |
55 |
20 |
0 |
0.794 |
| 2 |
7 |
|
N |
167 |
42 |
13625 |
◊ |
N |
-x,y,-z |
2_555 |
166 |
42 |
13625 |
1626.1 |
-32.1 |
0.017 |
6 |
0 |
0 |
0.560 |
8 |
|
P |
165 |
42 |
13562 |
◊ |
M |
x,y,z |
1_555 |
163 |
42 |
13655 |
1614.6 |
-31.6 |
0.015 |
7 |
0 |
0 |
0.560 |
9 |
|
R |
166 |
43 |
13637 |
◊ |
O |
-x,y,-z |
2_555 |
167 |
42 |
13608 |
1611.4 |
-31.9 |
0.016 |
7 |
0 |
0 |
0.560 |
10 |
|
Q |
167 |
42 |
13621 |
◊ |
Q |
-x,y,-z |
2_555 |
165 |
42 |
13621 |
1607.1 |
-32.2 |
0.015 |
6 |
0 |
0 |
0.560 |
| Average: |
1614.8 |
-31.9 |
0.016 |
7 |
0 |
0 |
0.560 |
| 3 |
11 |
|
R |
41 |
13 |
13637 |
◊ |
M |
-x,y,-z |
2_555 |
34 |
8 |
13655 |
353.5 |
-1.8 |
0.488 |
6 |
0 |
0 |
0.115 |
12 |
|
Q |
30 |
7 |
13621 |
◊ |
M |
x,y,z |
1_555 |
41 |
13 |
13655 |
351.6 |
-1.7 |
0.466 |
7 |
0 |
0 |
0.115 |
13 |
|
P |
41 |
13 |
13562 |
◊ |
N |
x,y,z |
1_555 |
32 |
8 |
13625 |
351.4 |
-1.6 |
0.509 |
6 |
0 |
0 |
0.115 |
14 |
|
P |
33 |
8 |
13562 |
◊ |
O |
-x,y,-z |
2_555 |
40 |
13 |
13608 |
348.2 |
-1.7 |
0.488 |
7 |
0 |
0 |
0.115 |
15 |
|
O |
30 |
7 |
13608 |
◊ |
N |
-x,y,-z |
2_555 |
40 |
13 |
13625 |
344.5 |
-1.4 |
0.492 |
7 |
0 |
0 |
0.115 |
16 |
|
R |
30 |
7 |
13637 |
◊ |
Q |
-x,y,-z |
2_555 |
40 |
13 |
13621 |
343.1 |
-1.8 |
0.443 |
7 |
0 |
0 |
0.115 |
| Average: |
348.7 |
-1.7 |
0.481 |
7 |
0 |
0 |
0.115 |
| 4 |
17 |
|
R |
33 |
10 |
13637 |
◊ |
Q |
x,y,z |
1_555 |
33 |
11 |
13621 |
345.5 |
-1.2 |
0.700 |
5 |
2 |
0 |
0.101 |
18 |
|
O |
34 |
10 |
13608 |
◊ |
N |
x,y,z |
1_555 |
34 |
10 |
13625 |
343.8 |
-1.9 |
0.640 |
5 |
1 |
0 |
0.101 |
19 |
|
Q |
31 |
10 |
13621 |
◊ |
P |
x,y,z |
1_555 |
32 |
10 |
13562 |
342.4 |
-1.3 |
0.680 |
5 |
1 |
0 |
0.101 |
20 |
|
N |
34 |
11 |
13625 |
◊ |
M |
x,y,z |
1_555 |
34 |
10 |
13655 |
339.8 |
-2.2 |
0.603 |
5 |
1 |
0 |
0.101 |
21 |
|
R |
33 |
10 |
13637 |
◊ |
P |
x,y,z |
1_555 |
32 |
10 |
13562 |
335.9 |
-1.9 |
0.632 |
6 |
1 |
0 |
0.101 |
22 |
|
O |
34 |
10 |
13608 |
◊ |
M |
x,y,z |
1_555 |
34 |
11 |
13655 |
334.0 |
-2.1 |
0.605 |
3 |
0 |
0 |
0.101 |
| Average: |
340.2 |
-1.7 |
0.643 |
5 |
1 |
0 |
0.101 |
| 5 |
23 |
|
A |
34 |
11 |
11561 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
35 |
10 |
11550 |
293.2 |
-0.8 |
0.619 |
3 |
0 |
0 |
0.000 |
| 6 |
24 |
|
M |
25 |
7 |
13655 |
◊ |
E |
x,y,z |
1_555 |
18 |
4 |
11514 |
212.4 |
-2.9 |
0.170 |
2 |
2 |
0 |
0.041 |
25 |
|
P |
24 |
7 |
13562 |
◊ |
B |
x,y,z |
1_555 |
19 |
4 |
11550 |
211.9 |
-2.9 |
0.186 |
2 |
2 |
0 |
0.041 |
26 |
|
Q |
25 |
7 |
13621 |
◊ |
F |
-x,y,-z |
2_555 |
17 |
4 |
11503 |
211.0 |
-2.8 |
0.158 |
3 |
2 |
0 |
0.041 |
27 |
|
R |
24 |
7 |
13637 |
◊ |
A |
-x,y,-z |
2_555 |
19 |
4 |
11561 |
210.9 |
-3.1 |
0.165 |
3 |
2 |
0 |
0.041 |
28 |
|
N |
25 |
7 |
13625 |
◊ |
C |
-x,y,-z |
2_555 |
17 |
4 |
11564 |
210.8 |
-2.9 |
0.160 |
2 |
2 |
0 |
0.041 |
29 |
|
O |
25 |
7 |
13608 |
◊ |
D |
-x,y,-z |
2_555 |
19 |
4 |
11487 |
208.9 |
-3.0 |
0.183 |
3 |
2 |
0 |
0.041 |
| Average: |
211.0 |
-2.9 |
0.170 |
3 |
2 |
0 |
0.041 |
| 7 |
30 |
|
D |
16 |
5 |
11487 |
◊ |
C |
x-1/2,y-1/2,z+1/2 |
3_445 |
23 |
9 |
11564 |
172.7 |
-0.4 |
0.615 |
2 |
0 |
0 |
0.000 |
| 8 |
31 |
|
P |
16 |
8 |
13562 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
11514 |
157.1 |
-1.7 |
0.404 |
0 |
0 |
0 |
0.020 |
32 |
|
Q |
16 |
8 |
13621 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
11503 |
156.7 |
-2.0 |
0.338 |
0 |
0 |
0 |
0.020 |
33 |
|
N |
16 |
8 |
13625 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
11564 |
155.1 |
-2.3 |
0.319 |
0 |
0 |
0 |
0.020 |
34 |
|
M |
16 |
8 |
13655 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
11550 |
153.4 |
-2.1 |
0.369 |
0 |
0 |
0 |
0.020 |
35 |
|
R |
15 |
7 |
13637 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
11487 |
151.7 |
-1.9 |
0.385 |
0 |
0 |
0 |
0.020 |
36 |
|
O |
15 |
7 |
13608 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
11561 |
149.3 |
-2.4 |
0.287 |
0 |
0 |
0 |
0.020 |
| Average: |
153.9 |
-2.1 |
0.351 |
0 |
0 |
0 |
0.020 |
| 9 |
37 |
|
E |
14 |
4 |
11514 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
11487 |
142.6 |
1.6 |
0.829 |
2 |
3 |
0 |
0.000 |
38 |
|
B |
15 |
4 |
11550 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11561 |
142.1 |
1.5 |
0.792 |
2 |
3 |
0 |
0.000 |
39 |
|
C |
16 |
4 |
11564 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11550 |
141.6 |
1.6 |
0.807 |
2 |
3 |
0 |
0.000 |
40 |
|
F |
13 |
6 |
11503 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
11487 |
136.2 |
1.0 |
0.754 |
1 |
3 |
0 |
0.000 |
41 |
|
C |
15 |
6 |
11564 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
11561 |
131.8 |
1.0 |
0.751 |
1 |
1 |
0 |
0.000 |
42 |
|
F |
15 |
4 |
11503 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
11514 |
129.0 |
1.0 |
0.740 |
1 |
2 |
0 |
0.000 |
| Average: |
137.2 |
1.3 |
0.779 |
2 |
3 |
0 |
0.000 |
| 10 |
43 |
|
E |
21 |
8 |
11514 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
15 |
7 |
11561 |
131.0 |
1.6 |
0.853 |
3 |
0 |
0 |
0.000 |
| 11 |
44 |
|
[PHB]P:550 |
10 |
1 |
279 |
f |
P |
x,y,z |
1_555 |
19 |
9 |
13562 |
125.1 |
2.9 |
0.618 |
3 |
0 |
0 |
0.000 |
45 |
|
[PHB]Q:550 |
10 |
1 |
280 |
f |
Q |
x,y,z |
1_555 |
20 |
9 |
13621 |
124.4 |
2.8 |
0.613 |
4 |
0 |
0 |
0.000 |
46 |
|
[PHB]R:550 |
10 |
1 |
278 |
f |
R |
x,y,z |
1_555 |
20 |
9 |
13637 |
124.4 |
2.3 |
0.591 |
4 |
0 |
0 |
0.000 |
47 |
|
[PHB]M:550 |
10 |
1 |
278 |
f |
M |
x,y,z |
1_555 |
20 |
9 |
13655 |
124.3 |
2.9 |
0.598 |
3 |
0 |
0 |
0.000 |
48 |
|
[PHB]N:550 |
10 |
1 |
279 |
f |
N |
x,y,z |
1_555 |
20 |
9 |
13625 |
123.7 |
2.8 |
0.633 |
4 |
0 |
0 |
0.000 |
49 |
|
[PHB]O:550 |
10 |
1 |
276 |
f |
O |
x,y,z |
1_555 |
19 |
9 |
13608 |
122.8 |
2.3 |
0.570 |
3 |
0 |
0 |
0.000 |
| Average: |
124.1 |
2.7 |
0.604 |
4 |
0 |
0 |
0.000 |
| 12 |
50 |
|
[PHB]M:551 |
10 |
1 |
279 |
f |
M |
x,y,z |
1_555 |
20 |
6 |
13655 |
109.2 |
-0.4 |
0.374 |
1 |
0 |
0 |
0.019 |
51 |
|
[PHB]Q:551 |
10 |
1 |
279 |
f |
Q |
x,y,z |
1_555 |
17 |
6 |
13621 |
108.5 |
-0.2 |
0.340 |
1 |
0 |
0 |
0.019 |
52 |
|
[PHB]N:551 |
10 |
1 |
280 |
f |
N |
x,y,z |
1_555 |
18 |
5 |
13625 |
106.2 |
-0.1 |
0.368 |
1 |
0 |
0 |
0.019 |
53 |
|
[PHB]R:551 |
10 |
1 |
281 |
f |
R |
x,y,z |
1_555 |
18 |
5 |
13637 |
105.7 |
-0.2 |
0.367 |
1 |
0 |
0 |
0.019 |
54 |
|
[PHB]O:551 |
10 |
1 |
279 |
f |
O |
x,y,z |
1_555 |
19 |
6 |
13608 |
105.3 |
0.1 |
0.372 |
1 |
0 |
0 |
0.019 |
| Average: |
107.0 |
-0.1 |
0.364 |
1 |
0 |
0 |
0.019 |
| 13 |
55 |
|
[PHB]P:551 |
10 |
1 |
279 |
f |
P |
x,y,z |
1_555 |
18 |
6 |
13562 |
107.8 |
-0.2 |
0.356 |
1 |
0 |
0 |
0.010 |
| 14 |
56 |
|
[BME]M:601 |
4 |
1 |
204 |
f |
M |
x,y,z |
1_555 |
17 |
6 |
13655 |
103.1 |
-0.6 |
0.446 |
5 |
0 |
0 |
0.107 |
57 |
|
[BME]R:601 |
4 |
1 |
204 |
f |
R |
x,y,z |
1_555 |
18 |
6 |
13637 |
102.1 |
-0.6 |
0.450 |
5 |
0 |
0 |
0.107 |
58 |
|
[BME]O:601 |
4 |
1 |
204 |
f |
O |
x,y,z |
1_555 |
19 |
6 |
13608 |
102.0 |
-0.5 |
0.457 |
5 |
0 |
0 |
0.107 |
59 |
|
[BME]P:601 |
4 |
1 |
205 |
f |
P |
x,y,z |
1_555 |
19 |
6 |
13562 |
101.7 |
-1.0 |
0.454 |
7 |
0 |
0 |
0.107 |
60 |
|
[BME]N:601 |
4 |
1 |
202 |
f |
N |
x,y,z |
1_555 |
19 |
6 |
13625 |
100.7 |
-0.5 |
0.446 |
4 |
0 |
0 |
0.107 |
| Average: |
101.9 |
-0.6 |
0.451 |
5 |
0 |
0 |
0.107 |
| 15 |
61 |
|
[BME]Q:601 |
4 |
1 |
205 |
f |
Q |
x,y,z |
1_555 |
18 |
6 |
13621 |
99.5 |
-0.2 |
0.525 |
5 |
0 |
0 |
0.076 |
| 16 |
62 |
|
[PHB]N:551 |
10 |
1 |
280 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
13655 |
96.5 |
-0.5 |
0.092 |
0 |
0 |
0 |
0.000 |
63 |
|
[PHB]R:551 |
10 |
1 |
281 |
◊ |
Q |
x,y,z |
1_555 |
9 |
4 |
13621 |
96.4 |
0.6 |
0.266 |
0 |
0 |
0 |
0.000 |
64 |
|
[PHB]O:551 |
10 |
1 |
279 |
◊ |
N |
x,y,z |
1_555 |
9 |
4 |
13625 |
96.3 |
-0.4 |
0.096 |
0 |
0 |
0 |
0.000 |
65 |
|
[PHB]Q:551 |
10 |
1 |
279 |
◊ |
P |
x,y,z |
1_555 |
9 |
4 |
13562 |
93.7 |
0.6 |
0.256 |
0 |
0 |
0 |
0.000 |
66 |
|
[PHB]M:551 |
10 |
1 |
279 |
◊ |
O |
x,y,z |
1_555 |
9 |
4 |
13608 |
93.1 |
0.6 |
0.279 |
0 |
0 |
0 |
0.000 |
| Average: |
95.2 |
0.2 |
0.198 |
0 |
0 |
0 |
0.000 |
| 17 |
67 |
|
[PHB]P:551 |
10 |
1 |
279 |
◊ |
R |
x,y,z |
1_555 |
9 |
4 |
13637 |
91.4 |
0.8 |
0.294 |
0 |
0 |
0 |
0.000 |
| 18 |
68 |
|
[PHB]Q:550 |
9 |
1 |
280 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
11514 |
87.6 |
0.8 |
0.329 |
1 |
0 |
0 |
0.000 |
69 |
|
[PHB]M:550 |
9 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11561 |
87.5 |
0.9 |
0.348 |
0 |
0 |
0 |
0.000 |
70 |
|
[PHB]P:550 |
9 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
11487 |
87.4 |
0.9 |
0.327 |
0 |
0 |
0 |
0.000 |
71 |
|
[PHB]O:550 |
9 |
1 |
276 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
11564 |
86.9 |
0.8 |
0.338 |
0 |
0 |
0 |
0.000 |
72 |
|
[PHB]R:550 |
9 |
1 |
278 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
11503 |
84.9 |
0.8 |
0.344 |
0 |
0 |
0 |
0.000 |
73 |
|
[PHB]N:550 |
9 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
11550 |
84.4 |
0.8 |
0.328 |
0 |
0 |
0 |
0.000 |
| Average: |
86.5 |
0.8 |
0.335 |
0 |
0 |
0 |
0.000 |
| 19 |
74 |
|
Q |
11 |
3 |
13621 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
12 |
3 |
11561 |
81.1 |
-0.3 |
0.631 |
0 |
0 |
0 |
0.000 |
| 20 |
75 |
|
[FE]M:600 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
6 |
4 |
13655 |
51.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.282 |
76 |
|
[FE]P:600 |
1 |
1 |
137 |
cf |
P |
x,y,z |
1_555 |
6 |
4 |
13562 |
51.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.282 |
77 |
|
[FE]O:600 |
1 |
1 |
137 |
f |
O |
x,y,z |
1_555 |
7 |
4 |
13608 |
51.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.282 |
78 |
|
[FE]R:600 |
1 |
1 |
137 |
cf |
R |
x,y,z |
1_555 |
7 |
4 |
13637 |
50.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.282 |
79 |
|
[FE]N:600 |
1 |
1 |
137 |
cf |
N |
x,y,z |
1_555 |
6 |
4 |
13625 |
50.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.282 |
80 |
|
[FE]Q:600 |
1 |
1 |
137 |
cf |
Q |
x,y,z |
1_555 |
6 |
4 |
13621 |
50.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.282 |
| Average: |
51.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.282 |
| 21 |
81 |
|
P |
7 |
3 |
13562 |
◊ |
D |
-x,y,-z+1 |
2_556 |
5 |
2 |
11487 |
42.3 |
-1.0 |
0.333 |
0 |
0 |
0 |
0.000 |
| 22 |
82 |
|
M |
3 |
1 |
13655 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11564 |
42.1 |
1.0 |
0.905 |
2 |
0 |
0 |
0.000 |
83 |
|
O |
3 |
1 |
13608 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11550 |
41.1 |
0.9 |
0.895 |
2 |
0 |
0 |
0.000 |
84 |
|
Q |
3 |
1 |
13621 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11487 |
39.6 |
0.9 |
0.892 |
2 |
0 |
0 |
0.000 |
85 |
|
N |
3 |
1 |
13625 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11561 |
39.4 |
0.9 |
0.892 |
2 |
0 |
0 |
0.000 |
86 |
|
R |
3 |
1 |
13637 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11514 |
39.1 |
0.9 |
0.897 |
2 |
0 |
0 |
0.000 |
87 |
|
P |
3 |
1 |
13562 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
11503 |
38.1 |
1.0 |
0.897 |
2 |
0 |
0 |
0.000 |
| Average: |
39.9 |
1.0 |
0.896 |
2 |
0 |
0 |
0.000 |
| 23 |
88 |
|
[PHB]N:550 |
4 |
1 |
279 |
f |
[FE]N:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.107 |
89 |
|
[PHB]Q:550 |
4 |
1 |
280 |
f |
[FE]Q:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.107 |
90 |
|
[PHB]O:550 |
4 |
1 |
276 |
f |
[FE]O:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.107 |
91 |
|
[PHB]R:550 |
4 |
1 |
278 |
f |
[FE]R:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.107 |
92 |
|
[PHB]M:550 |
4 |
1 |
278 |
f |
[FE]M:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.107 |
93 |
|
[PHB]P:550 |
4 |
1 |
279 |
f |
[FE]P:600 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
31.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.107 |
| 24 |
94 |
|
E |
2 |
1 |
11514 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
11550 |
29.7 |
-1.0 |
0.129 |
0 |
0 |
0 |
0.000 |
| 25 |
95 |
|
[FE]R:600 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
6 |
4 |
11503 |
21.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.033 |
96 |
|
[FE]O:600 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
11564 |
21.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.033 |
97 |
|
[FE]Q:600 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
11514 |
21.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.033 |
98 |
|
[FE]M:600 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
11561 |
21.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.033 |
99 |
|
[FE]N:600 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
11550 |
21.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.033 |
100 |
|
[FE]P:600 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
11487 |
21.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
21.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| 26 |
101 |
|
A |
4 |
1 |
11561 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
5 |
2 |
11564 |
18.2 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
| 27 |
102 |
|
D |
1 |
1 |
11487 |
◊ |
D |
-x,y,-z+1 |
2_556 |
1 |
1 |
11487 |
14.0 |
0.3 |
0.845 |
0 |
0 |
0 |
0.000 |
| 28 |
103 |
|
[BME]N:601 |
1 |
1 |
202 |
◊ |
O |
-x,y,-z |
2_555 |
2 |
1 |
13608 |
11.3 |
0.2 |
0.302 |
0 |
0 |
0 |
0.000 |
104 |
|
[BME]O:601 |
2 |
1 |
204 |
◊ |
P |
-x,y,-z |
2_555 |
1 |
1 |
13562 |
9.8 |
0.2 |
0.327 |
0 |
0 |
0 |
0.000 |
105 |
|
[BME]R:601 |
2 |
1 |
204 |
◊ |
M |
-x,y,-z |
2_555 |
2 |
1 |
13655 |
9.7 |
0.2 |
0.416 |
0 |
0 |
0 |
0.000 |
| Average: |
10.3 |
0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
| 29 |
106 |
|
[BME]M:601 |
2 |
1 |
204 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
13621 |
7.6 |
0.1 |
0.351 |
0 |
0 |
0 |
0.000 |
107 |
|
[BME]P:601 |
2 |
1 |
205 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
13625 |
7.2 |
0.1 |
0.355 |
0 |
0 |
0 |
0.000 |
| Average: |
7.4 |
0.1 |
0.353 |
0 |
0 |
0 |
0.000 |
| 30 |
108 |
|
M |
1 |
1 |
13655 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
11550 |
6.6 |
-0.2 |
0.300 |
0 |
0 |
0 |
0.000 |
| 31 |
109 |
|
[BME]Q:601 |
2 |
1 |
205 |
◊ |
R |
-x,y,-z |
2_555 |
1 |
1 |
13637 |
5.1 |
0.1 |
0.386 |
0 |
0 |
0 |
0.000 |
|