| ## |
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 |
|
D |
188 |
50 |
14326 |
◊ |
B |
x,y,z |
1_555 |
179 |
49 |
14693 |
1682.4 |
-13.1 |
0.208 |
14 |
8 |
0 |
0.141 |
2 |
|
H |
178 |
47 |
14762 |
◊ |
F |
x,y,z |
1_555 |
182 |
49 |
14211 |
1674.5 |
-14.3 |
0.160 |
18 |
8 |
0 |
0.141 |
| Average: |
1678.5 |
-13.7 |
0.184 |
16 |
8 |
0 |
0.141 |
| 2 |
3 |
|
H |
130 |
37 |
14762 |
◊ |
G |
x,y,z |
1_555 |
133 |
41 |
10701 |
1256.8 |
-3.8 |
0.575 |
27 |
13 |
0 |
0.242 |
4 |
|
B |
130 |
36 |
14693 |
◊ |
A |
x,y,z |
1_555 |
138 |
43 |
10797 |
1256.2 |
-3.8 |
0.587 |
27 |
12 |
0 |
0.242 |
5 |
|
F |
125 |
36 |
14211 |
◊ |
E |
x,y,z |
1_555 |
124 |
38 |
10988 |
1210.0 |
-5.6 |
0.457 |
24 |
12 |
0 |
0.242 |
6 |
|
D |
126 |
35 |
14326 |
◊ |
C |
x,y,z |
1_555 |
121 |
38 |
11027 |
1201.1 |
-3.7 |
0.533 |
28 |
13 |
0 |
0.242 |
| Average: |
1231.0 |
-4.2 |
0.538 |
27 |
13 |
0 |
0.242 |
| 3 |
7 |
|
H |
51 |
18 |
14762 |
◊ |
B |
x,y,z |
1_555 |
51 |
18 |
14693 |
418.2 |
-7.1 |
0.092 |
0 |
0 |
0 |
0.018 |
| 4 |
8 |
|
F |
42 |
12 |
14211 |
◊ |
D |
x,y,z |
1_555 |
43 |
12 |
14326 |
360.9 |
2.7 |
0.870 |
4 |
5 |
0 |
0.000 |
| 5 |
9 |
|
G |
31 |
10 |
10701 |
◊ |
A |
x-1,y,z |
1_455 |
35 |
11 |
10797 |
324.1 |
-2.1 |
0.420 |
4 |
1 |
0 |
0.000 |
| 6 |
10 |
|
F |
39 |
14 |
14211 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
10 |
14693 |
314.9 |
3.3 |
0.771 |
7 |
7 |
0 |
0.006 |
11 |
|
H |
30 |
9 |
14762 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
39 |
13 |
14326 |
310.8 |
2.5 |
0.698 |
6 |
7 |
0 |
0.006 |
| Average: |
312.9 |
2.9 |
0.735 |
7 |
7 |
0 |
0.006 |
| 7 |
12 |
|
[HDJ]H:508 |
22 |
1 |
517 |
◊ |
H |
x,y,z |
1_555 |
49 |
16 |
14762 |
291.5 |
1.8 |
0.357 |
2 |
0 |
0 |
0.000 |
13 |
|
[HDJ]F:513 |
22 |
1 |
511 |
◊ |
F |
x,y,z |
1_555 |
46 |
16 |
14211 |
289.6 |
1.7 |
0.350 |
2 |
0 |
0 |
0.000 |
14 |
|
[HDJ]D:511 |
22 |
1 |
511 |
◊ |
D |
x,y,z |
1_555 |
46 |
16 |
14326 |
285.0 |
1.7 |
0.373 |
2 |
0 |
0 |
0.000 |
15 |
|
[HDJ]B:511 |
22 |
1 |
513 |
◊ |
B |
x,y,z |
1_555 |
49 |
16 |
14693 |
276.0 |
1.5 |
0.362 |
2 |
0 |
0 |
0.000 |
| Average: |
285.5 |
1.6 |
0.360 |
2 |
0 |
0 |
0.000 |
| 8 |
16 |
|
C |
35 |
11 |
11027 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
10 |
10701 |
264.3 |
1.5 |
0.783 |
6 |
5 |
0 |
0.000 |
| 9 |
17 |
|
H |
27 |
7 |
14762 |
◊ |
D |
x,y,z |
1_555 |
29 |
9 |
14326 |
255.4 |
-0.3 |
0.317 |
2 |
0 |
0 |
0.006 |
18 |
|
F |
26 |
9 |
14211 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
14693 |
238.7 |
-0.6 |
0.281 |
1 |
0 |
0 |
0.006 |
| Average: |
247.0 |
-0.4 |
0.299 |
2 |
0 |
0 |
0.006 |
| 10 |
19 |
|
F |
27 |
11 |
14211 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
30 |
9 |
10797 |
246.1 |
0.2 |
0.514 |
4 |
0 |
0 |
0.000 |
| 11 |
20 |
|
H |
29 |
9 |
14762 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
28 |
10 |
14693 |
225.8 |
-0.7 |
0.575 |
1 |
0 |
0 |
0.008 |
| 12 |
21 |
|
B |
22 |
10 |
14693 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
7 |
11027 |
188.5 |
-1.6 |
0.379 |
0 |
0 |
0 |
0.000 |
22 |
|
E |
12 |
6 |
10988 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
7 |
14762 |
106.3 |
-0.3 |
0.522 |
1 |
0 |
0 |
0.000 |
| Average: |
147.4 |
-1.0 |
0.451 |
1 |
0 |
0 |
0.000 |
| 13 |
23 |
|
H |
22 |
7 |
14762 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
6 |
11027 |
178.4 |
1.3 |
0.774 |
4 |
1 |
0 |
0.002 |
24 |
|
E |
14 |
6 |
10988 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
8 |
14693 |
172.6 |
1.1 |
0.770 |
3 |
1 |
0 |
0.002 |
| Average: |
175.5 |
1.2 |
0.772 |
4 |
1 |
0 |
0.002 |
| 14 |
25 |
|
F |
17 |
5 |
14211 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
6 |
14326 |
144.1 |
-0.3 |
0.613 |
0 |
0 |
0 |
0.001 |
| 15 |
26 |
|
[PGE]D:512 |
9 |
1 |
332 |
f |
D |
x,y,z |
1_555 |
21 |
7 |
14326 |
139.4 |
4.7 |
0.369 |
1 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[MLI]C:301 |
7 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
25 |
13 |
11027 |
138.7 |
3.3 |
0.389 |
5 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[MLI]E:301 |
7 |
1 |
223 |
f |
E |
x,y,z |
1_555 |
22 |
12 |
10988 |
136.3 |
2.9 |
0.189 |
6 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[MLI]G:301 |
7 |
1 |
223 |
f |
G |
x,y,z |
1_555 |
23 |
13 |
10701 |
132.5 |
3.2 |
0.228 |
6 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[MLI]A:301 |
7 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
10797 |
130.2 |
2.8 |
0.189 |
5 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[CS]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
14693 |
121.9 |
-43.4 |
0.000 |
0 |
0 |
0 |
0.605 |
32 |
|
[CS]F:502 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
14 |
10 |
14211 |
121.0 |
-43.4 |
0.000 |
0 |
0 |
0 |
0.605 |
33 |
|
[CS]D:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
14326 |
120.9 |
-43.4 |
0.000 |
0 |
0 |
0 |
0.605 |
34 |
|
[CS]H:502 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
15 |
10 |
14762 |
120.1 |
-43.4 |
0.000 |
0 |
0 |
0 |
0.605 |
| Average: |
121.0 |
-43.4 |
0.000 |
0 |
0 |
0 |
0.605 |
| 21 |
35 |
|
[HDJ]H:508 |
9 |
1 |
517 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
10701 |
110.7 |
-0.9 |
0.202 |
0 |
0 |
0 |
0.169 |
36 |
|
[HDJ]F:513 |
9 |
1 |
511 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
10988 |
110.2 |
-1.0 |
0.186 |
0 |
0 |
0 |
0.169 |
37 |
|
[HDJ]D:511 |
9 |
1 |
511 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11027 |
109.5 |
-1.1 |
0.180 |
0 |
0 |
0 |
0.169 |
38 |
|
[HDJ]B:511 |
9 |
1 |
513 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
10797 |
103.0 |
-1.1 |
0.182 |
0 |
0 |
0 |
0.169 |
| Average: |
108.3 |
-1.0 |
0.188 |
0 |
0 |
0 |
0.169 |
| 22 |
39 |
|
[CS]F:503 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
23 |
10 |
14211 |
110.2 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.295 |
40 |
|
[CS]D:503 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
14326 |
103.4 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.295 |
| Average: |
106.8 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.295 |
| 23 |
41 |
|
[MLA]H:511 |
7 |
1 |
222 |
f |
H |
x,y,z |
1_555 |
19 |
7 |
14762 |
105.7 |
-2.7 |
0.606 |
0 |
0 |
0 |
0.037 |
| 24 |
42 |
|
[MLA]F:515 |
7 |
1 |
225 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
14211 |
104.9 |
-4.7 |
0.661 |
3 |
0 |
0 |
0.057 |
| 25 |
43 |
|
[ACT]H:510 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
20 |
9 |
14762 |
100.2 |
-0.3 |
0.677 |
0 |
0 |
0 |
0.004 |
| 26 |
44 |
|
[FMT]D:505 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
14326 |
91.3 |
0.2 |
0.665 |
1 |
0 |
0 |
0.003 |
| 27 |
45 |
|
[FMT]A:303 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
10797 |
89.8 |
-0.4 |
0.352 |
0 |
0 |
0 |
0.035 |
| 28 |
46 |
|
E |
8 |
3 |
10988 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
12 |
4 |
10797 |
87.6 |
2.3 |
0.864 |
4 |
6 |
0 |
0.000 |
| 29 |
47 |
|
[FMT]D:504 |
3 |
1 |
151 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
14326 |
86.8 |
0.1 |
0.420 |
1 |
0 |
0 |
0.004 |
| 30 |
48 |
|
[FMT]B:505 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14693 |
85.9 |
0.0 |
0.418 |
2 |
0 |
0 |
0.012 |
| 31 |
49 |
|
[FMT]F:509 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
14211 |
85.2 |
0.6 |
0.729 |
2 |
0 |
0 |
0.003 |
| 32 |
50 |
|
[FMT]H:504 |
3 |
1 |
149 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
14762 |
85.1 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
| 33 |
51 |
|
[FMT]D:506 |
3 |
1 |
151 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
14326 |
84.4 |
-0.7 |
0.341 |
0 |
0 |
0 |
0.009 |
| 34 |
52 |
|
[ACT]H:509 |
3 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
13 |
4 |
14762 |
84.2 |
-1.0 |
0.479 |
0 |
0 |
0 |
0.014 |
| 35 |
53 |
|
[FMT]G:304 |
3 |
1 |
150 |
f |
G |
x,y,z |
1_555 |
17 |
7 |
10701 |
83.2 |
-0.2 |
0.592 |
1 |
0 |
0 |
0.039 |
| 36 |
54 |
|
[FMT]D:507 |
3 |
1 |
151 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
14326 |
83.2 |
-0.8 |
0.286 |
1 |
0 |
0 |
0.014 |
| 37 |
55 |
|
[FMT]F:506 |
3 |
1 |
151 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
14211 |
83.0 |
-0.2 |
0.401 |
1 |
0 |
0 |
0.006 |
| 38 |
56 |
|
[CS]F:504 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
16 |
7 |
14762 |
82.9 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.188 |
57 |
|
[CS]B:503 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
14326 |
80.6 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.188 |
58 |
|
[CS]F:504 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
14211 |
80.4 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.188 |
59 |
|
[CS]B:503 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
14693 |
78.4 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.188 |
| Average: |
80.6 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.188 |
| 39 |
60 |
|
[FMT]B:506 |
3 |
1 |
151 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
14693 |
82.8 |
-0.8 |
0.273 |
1 |
0 |
0 |
0.017 |
| 40 |
61 |
|
[FMT]F:508 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
14762 |
82.4 |
-0.7 |
0.283 |
1 |
0 |
0 |
0.015 |
| 41 |
62 |
|
[FMT]G:303 |
3 |
1 |
149 |
f |
G |
x,y,z |
1_555 |
15 |
9 |
10701 |
81.7 |
-0.7 |
0.320 |
1 |
0 |
0 |
0.071 |
| 42 |
63 |
|
[FMT]F:510 |
3 |
1 |
150 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
14211 |
81.3 |
-0.6 |
0.456 |
1 |
0 |
0 |
0.010 |
| 43 |
64 |
|
[FMT]F:511 |
3 |
1 |
152 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
14211 |
78.2 |
0.2 |
0.419 |
3 |
0 |
0 |
0.011 |
| 44 |
65 |
|
[FMT]B:509 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14693 |
75.6 |
0.6 |
0.691 |
3 |
0 |
0 |
0.010 |
| 45 |
66 |
|
[FMT]A:302 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10797 |
74.7 |
-0.7 |
0.299 |
1 |
0 |
0 |
0.108 |
| 46 |
67 |
|
[EDO]F:514 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
14693 |
74.7 |
2.1 |
0.275 |
2 |
0 |
0 |
0.000 |
| 47 |
68 |
|
[FMT]H:507 |
3 |
1 |
150 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
14762 |
73.0 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.000 |
| 48 |
69 |
|
[CS]B:504 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14693 |
72.1 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.233 |
70 |
|
H |
11 |
4 |
14762 |
◊ |
[CS]B:504 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
216 |
72.0 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.233 |
| Average: |
72.1 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.233 |
| 49 |
71 |
|
[ACT]B:512 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
10797 |
71.3 |
-0.1 |
0.710 |
2 |
0 |
0 |
0.014 |
| 50 |
72 |
|
[FMT]D:508 |
3 |
1 |
151 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
14326 |
70.1 |
0.8 |
0.706 |
3 |
0 |
0 |
0.001 |
| 51 |
73 |
|
[FMT]B:508 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
14693 |
70.0 |
0.1 |
0.590 |
1 |
0 |
0 |
0.005 |
| 52 |
74 |
|
[EDO]F:514 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
14211 |
69.5 |
1.3 |
0.244 |
2 |
0 |
0 |
0.000 |
| 53 |
75 |
|
[FMT]H:506 |
3 |
1 |
150 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
14762 |
65.6 |
-0.5 |
0.395 |
1 |
0 |
0 |
0.003 |
| 54 |
76 |
|
[FMT]H:505 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
13 |
4 |
14762 |
64.9 |
-0.0 |
0.593 |
1 |
0 |
0 |
0.006 |
| 55 |
77 |
|
[FMT]H:503 |
3 |
1 |
150 |
◊ |
H |
x,y,z |
1_555 |
11 |
3 |
14762 |
64.5 |
0.2 |
0.460 |
1 |
0 |
0 |
0.000 |
| 56 |
78 |
|
[FMT]F:507 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
14211 |
64.4 |
-0.5 |
0.394 |
0 |
0 |
0 |
0.004 |
| 57 |
79 |
|
[FMT]B:507 |
3 |
1 |
150 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
14693 |
64.3 |
0.2 |
0.459 |
1 |
0 |
0 |
0.000 |
| 58 |
80 |
|
[FMT]C:302 |
3 |
1 |
150 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
14326 |
64.0 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.002 |
| 59 |
81 |
|
[FMT]B:510 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14693 |
62.4 |
-0.2 |
0.544 |
1 |
0 |
0 |
0.009 |
| 60 |
82 |
|
[FMT]G:305 |
3 |
1 |
152 |
f |
G |
x,y,z |
1_555 |
14 |
5 |
10701 |
62.1 |
-0.3 |
0.414 |
0 |
0 |
0 |
0.015 |
| 61 |
83 |
|
[FMT]G:302 |
3 |
1 |
150 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
10701 |
61.2 |
0.1 |
0.401 |
1 |
0 |
0 |
0.022 |
| 62 |
84 |
|
F |
9 |
4 |
14211 |
f |
[FMT]B:507 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
150 |
56.0 |
0.1 |
0.606 |
2 |
0 |
0 |
0.008 |
| 63 |
85 |
|
[FMT]H:506 |
3 |
1 |
150 |
f |
D |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
6 |
14326 |
54.4 |
-0.4 |
0.381 |
2 |
0 |
0 |
0.014 |
| 64 |
86 |
|
[FMT]H:503 |
3 |
1 |
150 |
f |
D |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
5 |
14326 |
54.3 |
0.1 |
0.619 |
2 |
0 |
0 |
0.009 |
| 65 |
87 |
|
[MLA]F:515 |
6 |
1 |
225 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
14326 |
53.7 |
0.6 |
0.918 |
0 |
0 |
0 |
0.000 |
| 66 |
88 |
|
[ACT]B:512 |
4 |
1 |
182 |
cf |
B |
x,y,z |
1_555 |
10 |
6 |
14693 |
50.9 |
-0.8 |
0.601 |
0 |
0 |
0 |
0.012 |
| 67 |
89 |
|
[FMT]D:509 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
14326 |
48.1 |
0.1 |
0.421 |
0 |
0 |
0 |
0.000 |
| 68 |
90 |
|
[FMT]F:512 |
3 |
1 |
151 |
f |
F |
x,y,z |
1_555 |
5 |
4 |
14211 |
47.5 |
0.2 |
0.652 |
0 |
0 |
0 |
0.000 |
| 69 |
91 |
|
[FMT]C:302 |
3 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
11027 |
46.4 |
-0.1 |
0.401 |
1 |
0 |
0 |
0.081 |
| 70 |
92 |
|
[FMT]H:505 |
2 |
1 |
150 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
14326 |
46.0 |
-0.3 |
0.539 |
0 |
0 |
0 |
0.000 |
| 71 |
93 |
|
D |
4 |
1 |
14326 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
4 |
10701 |
43.1 |
0.2 |
0.680 |
1 |
1 |
0 |
0.000 |
| 72 |
94 |
|
[ACT]H:509 |
4 |
1 |
182 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
10701 |
42.8 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.001 |
| 73 |
95 |
|
[FMT]F:505 |
2 |
1 |
149 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
3 |
14326 |
42.1 |
-0.2 |
0.607 |
0 |
0 |
0 |
0.000 |
| 74 |
96 |
|
[FMT]F:510 |
3 |
1 |
150 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
14762 |
40.5 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
| 75 |
97 |
|
[FMT]D:508 |
2 |
1 |
151 |
f |
F |
x,y,z |
1_555 |
5 |
1 |
14211 |
40.2 |
-1.2 |
0.236 |
0 |
0 |
0 |
0.012 |
| 76 |
98 |
|
[FMT]F:505 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
14211 |
40.1 |
0.2 |
0.433 |
1 |
0 |
0 |
0.003 |
| 77 |
99 |
|
[FMT]F:507 |
3 |
1 |
149 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
10988 |
39.0 |
0.1 |
0.603 |
1 |
0 |
0 |
0.003 |
| 78 |
100 |
|
[FMT]D:507 |
2 |
1 |
151 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14693 |
38.7 |
0.2 |
0.584 |
0 |
0 |
0 |
0.000 |
| 79 |
101 |
|
[CS]B:503 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
4 |
1 |
14762 |
38.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.082 |
102 |
|
[CS]F:504 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14693 |
32.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
35.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.082 |
| 80 |
103 |
|
[FMT]F:508 |
2 |
1 |
150 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
14211 |
37.3 |
0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
| 81 |
104 |
|
[FMT]B:506 |
2 |
1 |
151 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
14326 |
35.8 |
0.2 |
0.581 |
0 |
0 |
0 |
0.000 |
| 82 |
105 |
|
[FMT]H:507 |
2 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
14326 |
34.9 |
-0.4 |
0.498 |
0 |
0 |
0 |
0.005 |
| 83 |
106 |
|
[FMT]B:509 |
3 |
1 |
150 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
14211 |
34.7 |
-0.6 |
0.189 |
0 |
0 |
0 |
0.001 |
| 84 |
107 |
|
[FMT]D:510 |
3 |
1 |
150 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
14326 |
33.2 |
0.1 |
0.432 |
0 |
0 |
0 |
0.000 |
| 85 |
108 |
|
[FMT]G:303 |
3 |
1 |
149 |
f |
[MLI]G:301 |
x,y,z |
1_555 |
4 |
1 |
223 |
32.4 |
1.2 |
0.839 |
0 |
0 |
0 |
0.000 |
| 86 |
109 |
|
[FMT]G:302 |
2 |
1 |
150 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
10797 |
31.0 |
0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
| 87 |
110 |
|
[FMT]A:302 |
3 |
1 |
150 |
f |
[MLI]A:301 |
x,y,z |
1_555 |
4 |
1 |
223 |
30.7 |
0.8 |
0.509 |
0 |
0 |
0 |
0.000 |
| 88 |
111 |
|
[FMT]F:505 |
3 |
1 |
149 |
◊ |
[CS]D:503 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
216 |
30.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.036 |
| 89 |
112 |
|
[FMT]H:507 |
3 |
1 |
150 |
◊ |
[FMT]H:505 |
x,y,z |
1_555 |
3 |
1 |
150 |
28.6 |
-0.3 |
0.259 |
0 |
0 |
0 |
0.000 |
| 90 |
113 |
|
[ACT]B:512 |
2 |
1 |
182 |
◊ |
[HDJ]B:511 |
x,y,z |
1_555 |
5 |
1 |
513 |
27.7 |
0.4 |
0.442 |
1 |
0 |
0 |
0.001 |
| 91 |
114 |
|
[CS]F:503 |
1 |
1 |
216 |
◊ |
[CS]D:503 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
216 |
27.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.061 |
| 92 |
115 |
|
[CS]F:503 |
1 |
1 |
216 |
f |
[FMT]F:505 |
x,y,z |
1_555 |
3 |
1 |
149 |
26.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.050 |
| 93 |
116 |
|
[CS]D:503 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
14693 |
21.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.031 |
117 |
|
[CS]F:503 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14762 |
13.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
17.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.031 |
| 94 |
118 |
|
[FMT]D:510 |
2 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
11027 |
20.4 |
-0.0 |
0.661 |
0 |
0 |
0 |
0.005 |
| 95 |
119 |
|
[FMT]D:506 |
1 |
1 |
151 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11027 |
18.7 |
-0.0 |
0.278 |
0 |
0 |
0 |
0.000 |
| 96 |
120 |
|
C |
3 |
1 |
11027 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
10988 |
17.9 |
0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
| 97 |
121 |
|
[FMT]F:511 |
2 |
1 |
152 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
14762 |
15.5 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
| 98 |
122 |
|
[FMT]A:303 |
2 |
1 |
150 |
f |
[FMT]A:302 |
x,y,z |
1_555 |
3 |
1 |
150 |
15.0 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.003 |
| 99 |
123 |
|
[FMT]B:508 |
1 |
1 |
150 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
14326 |
15.0 |
0.3 |
0.475 |
0 |
0 |
0 |
0.000 |
| 100 |
124 |
|
[FMT]A:303 |
2 |
1 |
150 |
f |
[MLI]A:301 |
x,y,z |
1_555 |
3 |
1 |
223 |
14.3 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
| 101 |
125 |
|
[EDO]F:514 |
2 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14762 |
13.3 |
0.5 |
0.954 |
0 |
0 |
0 |
0.000 |
| 102 |
126 |
|
H |
2 |
1 |
14762 |
◊ |
[FMT]B:510 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
149 |
12.9 |
-0.2 |
0.451 |
0 |
0 |
0 |
0.001 |
| 103 |
127 |
|
E |
1 |
1 |
10988 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
11027 |
11.2 |
-0.4 |
0.230 |
0 |
0 |
0 |
0.000 |
| 104 |
128 |
|
F |
1 |
1 |
14211 |
◊ |
[CS]D:503 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
216 |
10.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.020 |
129 |
|
[CS]F:503 |
1 |
1 |
216 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
14326 |
7.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
9.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 105 |
130 |
|
[FMT]B:509 |
1 |
1 |
150 |
f |
[FMT]B:505 |
x,y,z |
1_555 |
1 |
1 |
150 |
7.4 |
0.2 |
0.333 |
0 |
0 |
0 |
0.000 |
| 106 |
131 |
|
[ACT]H:510 |
1 |
1 |
183 |
f |
[ACT]H:509 |
x,y,z |
1_555 |
3 |
1 |
182 |
7.1 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.003 |
| 107 |
132 |
|
H |
2 |
2 |
14762 |
◊ |
[CS]D:503 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
216 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
| 108 |
133 |
|
H |
1 |
1 |
14762 |
◊ |
[FMT]B:506 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
151 |
2.0 |
-0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
| 109 |
134 |
|
F |
1 |
1 |
14211 |
◊ |
[FMT]B:506 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
151 |
0.7 |
0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
|