| ## |
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 |
|
F |
372 |
91 |
24869 |
◊ |
A |
x,y,z |
1_555 |
389 |
101 |
25074 |
3428.7 |
-11.4 |
0.414 |
39 |
27 |
0 |
0.358 |
2 |
|
B |
399 |
110 |
23369 |
◊ |
A |
x,y,z |
1_555 |
366 |
93 |
25074 |
3362.7 |
-8.6 |
0.349 |
40 |
22 |
0 |
0.358 |
3 |
|
D |
358 |
104 |
23008 |
◊ |
C |
x,y,z |
1_555 |
353 |
87 |
23126 |
3290.7 |
-8.2 |
0.439 |
39 |
20 |
0 |
0.358 |
4 |
|
C |
363 |
102 |
23126 |
◊ |
B |
x,y,z |
1_555 |
354 |
90 |
23369 |
3278.5 |
-13.3 |
0.245 |
33 |
21 |
0 |
0.358 |
5 |
|
E |
370 |
102 |
23815 |
◊ |
D |
x,y,z |
1_555 |
355 |
84 |
23008 |
3239.5 |
-13.7 |
0.222 |
33 |
25 |
0 |
0.358 |
6 |
|
F |
353 |
99 |
24869 |
◊ |
E |
x,y,z |
1_555 |
347 |
86 |
23815 |
3219.2 |
-16.1 |
0.228 |
39 |
20 |
0 |
0.358 |
| Average: |
3303.2 |
-11.9 |
0.316 |
37 |
23 |
0 |
0.358 |
| 2 |
7 |
|
C |
88 |
24 |
23126 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
90 |
26 |
24869 |
803.6 |
1.0 |
0.552 |
6 |
7 |
0 |
0.000 |
| 3 |
8 |
|
D |
65 |
16 |
23008 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
61 |
15 |
25074 |
551.9 |
-2.1 |
0.344 |
5 |
3 |
0 |
0.000 |
| 4 |
9 |
|
D |
62 |
16 |
23008 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
63 |
17 |
24869 |
537.2 |
0.7 |
0.664 |
5 |
5 |
0 |
0.000 |
| 5 |
10 |
|
B |
59 |
18 |
23369 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
44 |
16 |
25074 |
468.4 |
1.5 |
0.687 |
7 |
6 |
0 |
0.000 |
| 6 |
11 |
|
[ATP]F:901 |
29 |
1 |
630 |
f |
F |
x,y,z |
1_555 |
49 |
16 |
24869 |
298.6 |
-4.8 |
0.446 |
9 |
0 |
0 |
0.107 |
12 |
|
[ATP]E:901 |
29 |
1 |
630 |
f |
E |
x,y,z |
1_555 |
50 |
18 |
23815 |
298.2 |
-4.3 |
0.452 |
12 |
0 |
0 |
0.107 |
13 |
|
[ATP]B:901 |
29 |
1 |
631 |
f |
B |
x,y,z |
1_555 |
47 |
17 |
23369 |
294.0 |
-4.7 |
0.445 |
9 |
0 |
0 |
0.107 |
14 |
|
[ATP]C:901 |
30 |
1 |
628 |
f |
C |
x,y,z |
1_555 |
52 |
18 |
23126 |
293.8 |
-5.4 |
0.381 |
14 |
0 |
0 |
0.107 |
15 |
|
[ATP]D:901 |
30 |
1 |
630 |
f |
D |
x,y,z |
1_555 |
50 |
17 |
23008 |
292.3 |
-4.4 |
0.455 |
10 |
0 |
0 |
0.107 |
16 |
|
[ATP]A:901 |
30 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
49 |
18 |
25074 |
288.5 |
-4.7 |
0.452 |
10 |
0 |
0 |
0.107 |
| Average: |
294.2 |
-4.7 |
0.439 |
11 |
0 |
0 |
0.107 |
| 7 |
17 |
|
[ATP]B:903 |
29 |
1 |
626 |
f |
B |
x,y,z |
1_555 |
44 |
15 |
23369 |
298.2 |
-4.3 |
0.453 |
13 |
0 |
0 |
0.071 |
18 |
|
[ATP]A:903 |
28 |
1 |
630 |
f |
A |
x,y,z |
1_555 |
44 |
15 |
25074 |
284.8 |
-3.4 |
0.512 |
16 |
0 |
0 |
0.071 |
19 |
|
[ATP]C:903 |
27 |
1 |
630 |
f |
C |
x,y,z |
1_555 |
45 |
15 |
23126 |
284.0 |
-4.0 |
0.450 |
12 |
0 |
0 |
0.071 |
20 |
|
[ATP]F:903 |
30 |
1 |
639 |
f |
F |
x,y,z |
1_555 |
46 |
15 |
24869 |
282.7 |
-3.4 |
0.480 |
10 |
0 |
0 |
0.071 |
| Average: |
287.4 |
-3.8 |
0.474 |
13 |
0 |
0 |
0.071 |
| 8 |
21 |
|
[ATP]E:903 |
29 |
1 |
628 |
f |
E |
x,y,z |
1_555 |
49 |
19 |
23815 |
289.9 |
-3.6 |
0.497 |
12 |
0 |
0 |
0.032 |
22 |
|
[ATP]D:903 |
28 |
1 |
621 |
f |
D |
x,y,z |
1_555 |
43 |
17 |
23008 |
282.6 |
-3.2 |
0.499 |
11 |
0 |
0 |
0.032 |
| Average: |
286.2 |
-3.4 |
0.498 |
12 |
0 |
0 |
0.032 |
| 9 |
23 |
|
[ATP]B:903 |
21 |
1 |
626 |
◊ |
C |
x,y,z |
1_555 |
30 |
10 |
23126 |
224.4 |
0.1 |
0.601 |
5 |
0 |
0 |
0.021 |
24 |
|
[ATP]F:903 |
21 |
1 |
639 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
25074 |
221.9 |
-0.5 |
0.488 |
4 |
0 |
0 |
0.021 |
25 |
|
[ATP]D:903 |
21 |
1 |
621 |
◊ |
E |
x,y,z |
1_555 |
32 |
10 |
23815 |
212.3 |
-1.1 |
0.474 |
6 |
0 |
0 |
0.021 |
26 |
|
[ATP]A:903 |
22 |
1 |
630 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
23369 |
212.0 |
0.4 |
0.650 |
2 |
0 |
0 |
0.021 |
27 |
|
[ATP]C:903 |
21 |
1 |
630 |
◊ |
D |
x,y,z |
1_555 |
31 |
10 |
23008 |
210.5 |
-0.0 |
0.548 |
5 |
0 |
0 |
0.021 |
| Average: |
216.2 |
-0.2 |
0.552 |
4 |
0 |
0 |
0.021 |
| 10 |
28 |
|
[ATP]E:901 |
21 |
1 |
630 |
◊ |
F |
x,y,z |
1_555 |
33 |
11 |
24869 |
213.7 |
2.1 |
0.800 |
2 |
0 |
0 |
0.006 |
29 |
|
[ATP]B:901 |
22 |
1 |
631 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
23126 |
207.1 |
2.0 |
0.794 |
8 |
0 |
0 |
0.006 |
30 |
|
[ATP]D:901 |
21 |
1 |
630 |
◊ |
E |
x,y,z |
1_555 |
30 |
11 |
23815 |
206.3 |
2.1 |
0.806 |
7 |
0 |
0 |
0.006 |
31 |
|
[ATP]A:901 |
20 |
1 |
626 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
23369 |
204.0 |
1.5 |
0.732 |
4 |
0 |
0 |
0.006 |
32 |
|
[ATP]C:901 |
21 |
1 |
628 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
23008 |
202.5 |
2.1 |
0.789 |
6 |
0 |
0 |
0.006 |
33 |
|
[ATP]F:901 |
21 |
1 |
630 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
25074 |
198.8 |
1.6 |
0.770 |
6 |
0 |
0 |
0.006 |
| Average: |
205.4 |
1.9 |
0.782 |
6 |
0 |
0 |
0.006 |
| 11 |
34 |
|
[ATP]E:903 |
22 |
1 |
628 |
◊ |
F |
x,y,z |
1_555 |
29 |
10 |
24869 |
208.1 |
-0.5 |
0.579 |
6 |
0 |
0 |
0.006 |
| 12 |
35 |
|
C |
20 |
7 |
23126 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
23 |
9 |
25074 |
166.8 |
1.9 |
0.782 |
0 |
0 |
0 |
0.000 |
| 13 |
36 |
|
D |
16 |
5 |
23008 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
6 |
23815 |
141.2 |
1.8 |
0.786 |
2 |
0 |
0 |
0.000 |
| 14 |
37 |
|
C |
14 |
6 |
23126 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
18 |
7 |
25074 |
90.9 |
0.3 |
0.641 |
0 |
0 |
0 |
0.000 |
| 15 |
38 |
|
C |
10 |
3 |
23126 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
2 |
23369 |
74.1 |
0.2 |
0.647 |
0 |
0 |
0 |
0.000 |
| 16 |
39 |
|
E |
8 |
2 |
23815 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
7 |
2 |
25074 |
67.5 |
1.0 |
0.703 |
1 |
0 |
0 |
0.000 |
| 17 |
40 |
|
B |
7 |
2 |
23369 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
24869 |
58.9 |
-0.9 |
0.128 |
0 |
0 |
0 |
0.000 |
| 18 |
41 |
|
E |
6 |
2 |
23815 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
3 |
23369 |
54.2 |
-0.3 |
0.502 |
0 |
0 |
0 |
0.000 |
| 19 |
42 |
|
E |
3 |
1 |
23815 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
4 |
24869 |
51.8 |
-0.8 |
0.143 |
0 |
1 |
0 |
0.000 |
| 20 |
43 |
|
E |
7 |
2 |
23815 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
5 |
2 |
23369 |
50.3 |
-0.3 |
0.440 |
0 |
0 |
0 |
0.000 |
| 21 |
44 |
|
D |
5 |
2 |
23008 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
24869 |
46.5 |
0.2 |
0.573 |
1 |
0 |
0 |
0.000 |
| 22 |
45 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
6 |
23369 |
44.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.071 |
46 |
|
[MG]E:702 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
10 |
6 |
23815 |
39.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.071 |
47 |
|
[MG]C:701 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
23126 |
38.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
48 |
|
[MG]D:702 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
9 |
7 |
23008 |
36.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.071 |
49 |
|
[MG]A:701 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
25074 |
35.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
50 |
|
[MG]F:701 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
24869 |
35.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.071 |
51 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
23008 |
30.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.071 |
52 |
|
[MG]E:520 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
23815 |
26.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.071 |
53 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
25074 |
25.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
34.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.071 |
| 23 |
54 |
|
[MG]E:801 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
23815 |
41.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.053 |
55 |
|
[MG]B:801 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
23369 |
41.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.053 |
56 |
|
[MG]C:801 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
23126 |
36.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.053 |
57 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
25074 |
36.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.053 |
58 |
|
[MG]F:802 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
24869 |
35.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.053 |
59 |
|
[MG]D:802 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
23008 |
33.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
37.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.053 |
| 24 |
60 |
|
[MG]D:801 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
23008 |
37.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.036 |
61 |
|
[MG]C:802 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
23126 |
34.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.036 |
62 |
|
[MG]B:802 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
23369 |
34.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.036 |
63 |
|
[MG]A:520 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
24869 |
34.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.036 |
64 |
|
[MG]A:802 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
25074 |
34.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
35.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| 25 |
65 |
|
[MG]F:701 |
1 |
1 |
98 |
◊ |
[ATP]F:903 |
x,y,z |
1_555 |
8 |
1 |
639 |
32.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.086 |
66 |
|
[MG]E:801 |
1 |
1 |
98 |
◊ |
[ATP]E:901 |
x,y,z |
1_555 |
6 |
1 |
630 |
32.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.086 |
67 |
|
[MG]D:802 |
1 |
1 |
98 |
◊ |
[ATP]D:901 |
x,y,z |
1_555 |
9 |
1 |
630 |
30.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.086 |
68 |
|
[MG]E:702 |
1 |
1 |
98 |
◊ |
[ATP]E:903 |
x,y,z |
1_555 |
4 |
1 |
628 |
29.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.086 |
69 |
|
[MG]C:801 |
1 |
1 |
98 |
◊ |
[ATP]C:901 |
x,y,z |
1_555 |
8 |
1 |
628 |
29.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.086 |
70 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
[ATP]C:903 |
x,y,z |
1_555 |
5 |
1 |
630 |
29.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.086 |
71 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
[ATP]A:901 |
x,y,z |
1_555 |
8 |
1 |
626 |
26.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.086 |
72 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
[ATP]B:903 |
x,y,z |
1_555 |
7 |
1 |
626 |
26.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.086 |
73 |
|
[MG]B:801 |
1 |
1 |
98 |
◊ |
[ATP]B:901 |
x,y,z |
1_555 |
7 |
1 |
631 |
26.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.086 |
74 |
|
[MG]D:702 |
1 |
1 |
98 |
◊ |
[ATP]D:903 |
x,y,z |
1_555 |
6 |
1 |
621 |
25.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.086 |
75 |
|
[MG]A:701 |
1 |
1 |
98 |
◊ |
[ATP]A:903 |
x,y,z |
1_555 |
6 |
1 |
630 |
24.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.086 |
76 |
|
[MG]C:701 |
1 |
1 |
98 |
◊ |
[ATP]C:903 |
x,y,z |
1_555 |
6 |
1 |
630 |
24.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.086 |
77 |
|
[MG]F:802 |
1 |
1 |
98 |
◊ |
[ATP]F:901 |
x,y,z |
1_555 |
7 |
1 |
630 |
23.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
27.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.086 |
| 26 |
78 |
|
B |
3 |
1 |
23369 |
◊ |
F |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
24869 |
30.0 |
0.6 |
0.798 |
1 |
1 |
0 |
0.000 |
| 27 |
79 |
|
[MG]E:520 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
24869 |
29.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.015 |
80 |
|
[MG]F:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
25074 |
26.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
28.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| 28 |
81 |
|
D |
3 |
1 |
23008 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
4 |
1 |
24869 |
29.0 |
-0.3 |
0.412 |
0 |
0 |
0 |
0.000 |
| 29 |
82 |
|
[MG]A:520 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
25074 |
28.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.024 |
83 |
|
[MG]C:802 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
23008 |
26.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.024 |
84 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
23126 |
25.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.024 |
85 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
23369 |
23.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.024 |
86 |
|
[MG]D:801 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
23815 |
20.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
24.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| 30 |
87 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
23126 |
28.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.013 |
88 |
|
[MG]F:702 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
24869 |
28.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
28.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 31 |
89 |
|
[MG]F:702 |
1 |
1 |
98 |
◊ |
[ATP]F:903 |
x,y,z |
1_555 |
6 |
1 |
639 |
28.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.044 |
90 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
[ATP]A:903 |
x,y,z |
1_555 |
4 |
1 |
630 |
26.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.044 |
91 |
|
[MG]A:802 |
1 |
1 |
98 |
◊ |
[ATP]A:901 |
x,y,z |
1_555 |
5 |
1 |
626 |
26.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.044 |
92 |
|
[MG]E:520 |
1 |
1 |
98 |
◊ |
[ATP]E:903 |
x,y,z |
1_555 |
6 |
1 |
628 |
25.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.044 |
93 |
|
[MG]A:520 |
1 |
1 |
98 |
◊ |
[ATP]F:901 |
x,y,z |
1_555 |
3 |
1 |
630 |
25.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.044 |
94 |
|
[MG]C:802 |
1 |
1 |
98 |
◊ |
[ATP]C:901 |
x,y,z |
1_555 |
4 |
1 |
628 |
25.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.044 |
95 |
|
[MG]D:801 |
1 |
1 |
98 |
◊ |
[ATP]D:901 |
x,y,z |
1_555 |
5 |
1 |
630 |
25.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.044 |
96 |
|
[MG]B:802 |
1 |
1 |
98 |
◊ |
[ATP]B:901 |
x,y,z |
1_555 |
4 |
1 |
631 |
24.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.044 |
97 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
[ATP]D:903 |
x,y,z |
1_555 |
4 |
1 |
621 |
23.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
25.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| 32 |
98 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
23369 |
28.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.016 |
99 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
23008 |
19.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.016 |
100 |
|
[MG]C:701 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
23008 |
13.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
101 |
|
[MG]F:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
25074 |
9.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.016 |
102 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
23369 |
8.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
103 |
|
[MG]E:702 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
24869 |
8.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
104 |
|
[MG]B:701 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
23126 |
5.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.016 |
105 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
23815 |
5.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
12.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
| 33 |
106 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
23815 |
27.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 34 |
107 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
23369 |
16.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
108 |
|
[MG]F:802 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
25074 |
13.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.010 |
109 |
|
[MG]D:802 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
3 |
1 |
23815 |
12.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
110 |
|
[MG]C:801 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
23008 |
9.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
111 |
|
[MG]B:801 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
23126 |
8.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
112 |
|
[MG]E:801 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
24869 |
6.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
11.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 35 |
113 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 36 |
114 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
[MG]D:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 37 |
115 |
|
C |
3 |
1 |
23126 |
◊ |
E |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
2 |
23815 |
11.7 |
-0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
| 38 |
116 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[MG]C:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 39 |
117 |
|
E |
4 |
2 |
23815 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
3 |
23126 |
8.1 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
| 40 |
118 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.005 |
| 41 |
119 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
[MG]B:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 42 |
120 |
|
[MG]C:802 |
1 |
1 |
98 |
f |
[MG]C:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| 43 |
121 |
|
[MG]E:702 |
1 |
1 |
98 |
f |
[MG]E:520 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 44 |
122 |
|
[MG]D:802 |
1 |
1 |
98 |
f |
[MG]D:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| 45 |
123 |
|
[MG]F:802 |
1 |
1 |
98 |
f |
[MG]A:520 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| 46 |
124 |
|
[MG]F:702 |
1 |
1 |
98 |
f |
[MG]F:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 47 |
125 |
|
[ATP]C:901 |
1 |
1 |
628 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
24869 |
0.5 |
0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
|