| ## |
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 |
297 |
76 |
18798 |
◊ |
G |
x,y,z |
1_555 |
279 |
74 |
21016 |
2805.9 |
-24.6 |
0.114 |
30 |
14 |
0 |
0.462 |
2 |
|
C |
272 |
71 |
18817 |
◊ |
B |
x,y,z |
1_555 |
254 |
67 |
19356 |
2580.6 |
-23.3 |
0.084 |
32 |
13 |
0 |
0.462 |
| Average: |
2693.2 |
-24.0 |
0.099 |
31 |
14 |
0 |
0.462 |
| 2 |
3 |
|
I |
234 |
67 |
18959 |
◊ |
H |
x,y,z |
1_555 |
241 |
63 |
18798 |
2369.8 |
-14.8 |
0.268 |
30 |
18 |
0 |
0.409 |
4 |
|
D |
235 |
65 |
18961 |
◊ |
C |
x,y,z |
1_555 |
232 |
62 |
18817 |
2311.1 |
-15.1 |
0.237 |
29 |
18 |
0 |
0.409 |
| Average: |
2340.5 |
-15.0 |
0.253 |
30 |
18 |
0 |
0.409 |
| 3 |
5 |
|
J |
238 |
69 |
17097 |
◊ |
I |
x,y,z |
1_555 |
222 |
60 |
18959 |
2209.4 |
-6.3 |
0.537 |
19 |
17 |
0 |
0.436 |
6 |
|
E |
231 |
67 |
17093 |
◊ |
D |
x,y,z |
1_555 |
210 |
59 |
18961 |
2178.8 |
-7.4 |
0.502 |
19 |
17 |
0 |
0.436 |
| Average: |
2194.1 |
-6.8 |
0.520 |
19 |
17 |
0 |
0.436 |
| 4 |
7 |
|
B |
118 |
36 |
19356 |
◊ |
A |
x,y,z |
1_555 |
121 |
36 |
18116 |
1255.2 |
-10.1 |
0.216 |
15 |
9 |
0 |
0.446 |
8 |
|
G |
121 |
35 |
21016 |
◊ |
F |
x,y,z |
1_555 |
126 |
38 |
18102 |
1235.1 |
-10.3 |
0.245 |
16 |
7 |
0 |
0.446 |
| Average: |
1245.1 |
-10.2 |
0.230 |
16 |
8 |
0 |
0.446 |
| 5 |
9 |
|
J |
70 |
18 |
17097 |
◊ |
F |
x,y,z |
1_555 |
73 |
17 |
18102 |
753.9 |
-6.1 |
0.233 |
7 |
5 |
0 |
0.317 |
10 |
|
E |
71 |
18 |
17093 |
◊ |
A |
x,y,z |
1_555 |
72 |
16 |
18116 |
745.9 |
-6.3 |
0.237 |
7 |
5 |
0 |
0.317 |
| Average: |
749.9 |
-6.2 |
0.235 |
7 |
5 |
0 |
0.317 |
| 6 |
11 |
|
J |
61 |
19 |
17097 |
◊ |
E |
x,y,z |
1_555 |
64 |
21 |
17093 |
579.2 |
-2.9 |
0.492 |
5 |
0 |
0 |
0.005 |
| 7 |
12 |
|
K |
64 |
5 |
3637 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
18116 |
539.9 |
-9.7 |
0.344 |
6 |
0 |
0 |
1.000 |
13 |
|
M |
62 |
5 |
3641 |
◊ |
F |
x,y,z |
1_555 |
56 |
16 |
18102 |
530.0 |
-9.6 |
0.380 |
7 |
0 |
0 |
1.000 |
| Average: |
535.0 |
-9.7 |
0.362 |
7 |
0 |
0 |
1.000 |
| 8 |
14 |
|
G |
45 |
11 |
21016 |
◊ |
J |
x-1,y,z |
1_455 |
68 |
18 |
17097 |
510.3 |
-7.4 |
0.116 |
2 |
1 |
0 |
0.000 |
| 9 |
15 |
|
N |
48 |
10 |
2399 |
◊ |
M |
x,y,z |
1_555 |
48 |
11 |
3641 |
457.2 |
-3.2 |
0.725 |
24 |
0 |
0 |
1.000 |
16 |
|
L |
47 |
10 |
2401 |
◊ |
K |
x,y,z |
1_555 |
47 |
11 |
3637 |
454.5 |
-3.3 |
0.718 |
24 |
0 |
0 |
1.000 |
| Average: |
455.9 |
-3.3 |
0.722 |
24 |
0 |
0 |
1.000 |
| 10 |
17 |
|
H |
43 |
13 |
18798 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
34 |
10 |
17093 |
366.9 |
0.2 |
0.682 |
4 |
2 |
0 |
0.000 |
| 11 |
18 |
|
[ADP]C:402 |
26 |
1 |
546 |
f |
C |
x,y,z |
1_555 |
56 |
19 |
18817 |
329.7 |
-4.0 |
0.641 |
19 |
0 |
0 |
0.162 |
19 |
|
[ADP]H:408 |
26 |
1 |
545 |
f |
H |
x,y,z |
1_555 |
57 |
20 |
18798 |
328.5 |
-4.3 |
0.624 |
18 |
0 |
0 |
0.162 |
| Average: |
329.1 |
-4.1 |
0.633 |
19 |
0 |
0 |
0.162 |
| 12 |
20 |
|
[ADP]D:404 |
26 |
1 |
544 |
f |
D |
x,y,z |
1_555 |
53 |
21 |
18961 |
326.7 |
-4.5 |
0.580 |
17 |
0 |
0 |
0.294 |
21 |
|
[ADP]I:410 |
26 |
1 |
542 |
f |
I |
x,y,z |
1_555 |
50 |
21 |
18959 |
321.5 |
-4.2 |
0.582 |
17 |
0 |
0 |
0.294 |
| Average: |
324.1 |
-4.3 |
0.581 |
17 |
0 |
0 |
0.294 |
| 13 |
22 |
|
[ADP]B:400 |
26 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
54 |
19 |
19356 |
321.5 |
-4.8 |
0.549 |
18 |
0 |
0 |
0.308 |
23 |
|
[ADP]G:406 |
27 |
1 |
542 |
f |
G |
x,y,z |
1_555 |
54 |
20 |
21016 |
318.1 |
-4.9 |
0.568 |
17 |
0 |
0 |
0.308 |
| Average: |
319.8 |
-4.9 |
0.558 |
18 |
0 |
0 |
0.308 |
| 14 |
24 |
|
M |
36 |
5 |
3641 |
◊ |
J |
x,y,z |
1_555 |
35 |
12 |
17097 |
304.4 |
-7.6 |
0.385 |
5 |
0 |
0 |
0.301 |
25 |
|
K |
35 |
5 |
3637 |
◊ |
E |
x,y,z |
1_555 |
32 |
12 |
17093 |
302.4 |
-7.3 |
0.374 |
5 |
0 |
0 |
0.301 |
| Average: |
303.4 |
-7.4 |
0.380 |
5 |
0 |
0 |
0.301 |
| 15 |
26 |
|
I |
30 |
9 |
18959 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
6 |
19356 |
265.2 |
-0.2 |
0.435 |
2 |
2 |
0 |
0.000 |
27 |
|
G |
25 |
6 |
21016 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
31 |
10 |
18961 |
248.1 |
0.1 |
0.466 |
1 |
3 |
0 |
0.000 |
| Average: |
256.7 |
-0.1 |
0.451 |
2 |
3 |
0 |
0.000 |
| 16 |
28 |
|
J |
30 |
11 |
17097 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
18961 |
249.7 |
-4.5 |
0.039 |
0 |
0 |
0 |
0.009 |
29 |
|
E |
23 |
8 |
17093 |
◊ |
I |
x,y,z |
1_555 |
13 |
5 |
18959 |
166.1 |
-4.5 |
0.021 |
0 |
0 |
0 |
0.009 |
| Average: |
207.9 |
-4.5 |
0.030 |
0 |
0 |
0 |
0.009 |
| 17 |
30 |
|
M |
23 |
3 |
3641 |
◊ |
G |
x,y,z |
1_555 |
27 |
7 |
21016 |
221.0 |
-4.3 |
0.500 |
6 |
0 |
0 |
0.093 |
31 |
|
K |
23 |
3 |
3637 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
19356 |
218.3 |
-4.0 |
0.513 |
6 |
0 |
0 |
0.093 |
| Average: |
219.7 |
-4.1 |
0.507 |
6 |
0 |
0 |
0.093 |
| 18 |
32 |
|
M |
20 |
3 |
3641 |
◊ |
H |
x,y,z |
1_555 |
25 |
8 |
18798 |
216.6 |
-7.3 |
0.261 |
4 |
0 |
0 |
0.097 |
33 |
|
K |
19 |
3 |
3637 |
◊ |
C |
x,y,z |
1_555 |
26 |
8 |
18817 |
210.4 |
-7.0 |
0.266 |
4 |
0 |
0 |
0.097 |
| Average: |
213.5 |
-7.1 |
0.263 |
4 |
0 |
0 |
0.097 |
| 19 |
34 |
|
M |
20 |
3 |
3641 |
◊ |
I |
x,y,z |
1_555 |
23 |
7 |
18959 |
213.2 |
-6.2 |
0.314 |
5 |
0 |
0 |
0.092 |
35 |
|
K |
21 |
3 |
3637 |
◊ |
D |
x,y,z |
1_555 |
26 |
7 |
18961 |
211.8 |
-6.4 |
0.322 |
5 |
0 |
0 |
0.092 |
| Average: |
212.5 |
-6.3 |
0.318 |
5 |
0 |
0 |
0.092 |
| 20 |
36 |
|
I |
26 |
9 |
18959 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
23 |
7 |
17093 |
189.2 |
-0.2 |
0.583 |
1 |
0 |
0 |
0.000 |
| 21 |
37 |
|
H |
15 |
6 |
18798 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
16 |
6 |
18817 |
187.0 |
-0.3 |
0.583 |
1 |
0 |
0 |
0.000 |
| 22 |
38 |
|
G |
20 |
4 |
21016 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
25 |
5 |
17093 |
185.1 |
-2.6 |
0.309 |
0 |
0 |
0 |
0.000 |
39 |
|
J |
18 |
4 |
17097 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
16 |
4 |
19356 |
129.3 |
-1.7 |
0.346 |
0 |
0 |
0 |
0.000 |
| Average: |
157.2 |
-2.2 |
0.327 |
0 |
0 |
0 |
0.000 |
| 23 |
40 |
|
H |
18 |
4 |
18798 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
22 |
6 |
18959 |
181.6 |
-2.2 |
0.270 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
A |
23 |
10 |
18116 |
◊ |
C |
x-1,y,z |
1_455 |
18 |
6 |
18817 |
181.5 |
1.2 |
0.780 |
0 |
0 |
0 |
0.000 |
| 25 |
42 |
|
A |
14 |
6 |
18116 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
4 |
18961 |
146.2 |
-0.7 |
0.494 |
2 |
0 |
0 |
0.000 |
| 26 |
43 |
|
F |
21 |
8 |
18102 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
6 |
17093 |
135.9 |
-1.1 |
0.436 |
0 |
0 |
0 |
0.000 |
44 |
|
J |
13 |
6 |
17097 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
7 |
18116 |
124.6 |
-1.6 |
0.318 |
1 |
0 |
0 |
0.000 |
| Average: |
130.3 |
-1.3 |
0.377 |
1 |
0 |
0 |
0.000 |
| 27 |
45 |
|
N |
19 |
2 |
2399 |
◊ |
K |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
2 |
3637 |
133.7 |
0.8 |
0.744 |
1 |
0 |
0 |
0.000 |
46 |
|
M |
18 |
2 |
3641 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
20 |
3 |
2401 |
133.6 |
0.6 |
0.736 |
1 |
0 |
0 |
0.000 |
| Average: |
133.6 |
0.7 |
0.740 |
1 |
0 |
0 |
0.000 |
| 28 |
47 |
|
E |
6 |
1 |
17093 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
18817 |
86.4 |
-1.2 |
0.333 |
0 |
0 |
0 |
0.013 |
48 |
|
J |
5 |
1 |
17097 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
18798 |
78.0 |
-0.9 |
0.393 |
0 |
0 |
0 |
0.013 |
| Average: |
82.2 |
-1.0 |
0.363 |
0 |
0 |
0 |
0.013 |
| 29 |
49 |
|
M |
13 |
1 |
3641 |
◊ |
K |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
1 |
3637 |
85.1 |
2.9 |
0.883 |
0 |
0 |
0 |
0.000 |
| 30 |
50 |
|
N |
12 |
1 |
2399 |
◊ |
F |
x,y,z |
1_555 |
9 |
1 |
18102 |
84.7 |
0.6 |
0.306 |
0 |
0 |
0 |
0.000 |
51 |
|
L |
12 |
1 |
2401 |
◊ |
A |
x,y,z |
1_555 |
9 |
1 |
18116 |
78.6 |
0.6 |
0.324 |
0 |
0 |
0 |
0.000 |
| Average: |
81.6 |
0.6 |
0.315 |
0 |
0 |
0 |
0.000 |
| 31 |
52 |
|
G |
11 |
3 |
21016 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
2 |
2401 |
77.6 |
1.7 |
0.770 |
0 |
0 |
0 |
0.000 |
53 |
|
N |
8 |
2 |
2399 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
3 |
19356 |
71.0 |
1.6 |
0.751 |
0 |
0 |
0 |
0.000 |
| Average: |
74.3 |
1.6 |
0.761 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
[BEF]C:403 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
18817 |
76.5 |
2.1 |
0.700 |
3 |
0 |
0 |
0.000 |
55 |
|
[BEF]I:409 |
4 |
1 |
181 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
18798 |
75.4 |
2.1 |
0.702 |
3 |
0 |
0 |
0.000 |
| Average: |
75.9 |
2.1 |
0.701 |
3 |
0 |
0 |
0.000 |
| 33 |
56 |
|
[BEF]D:405 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
18961 |
73.6 |
2.0 |
0.657 |
4 |
0 |
0 |
0.000 |
57 |
|
[BEF]I:411 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
14 |
8 |
18959 |
72.3 |
1.9 |
0.653 |
3 |
0 |
0 |
0.000 |
| Average: |
73.0 |
1.9 |
0.655 |
4 |
0 |
0 |
0.000 |
| 34 |
58 |
|
[BEF]B:401 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
19356 |
72.6 |
1.8 |
0.646 |
3 |
0 |
0 |
0.000 |
59 |
|
[BEF]G:407 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
14 |
7 |
21016 |
71.7 |
1.8 |
0.657 |
3 |
0 |
0 |
0.000 |
| Average: |
72.2 |
1.8 |
0.651 |
3 |
0 |
0 |
0.000 |
| 35 |
60 |
|
H |
8 |
2 |
18798 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
2 |
18961 |
72.6 |
1.0 |
0.800 |
2 |
0 |
0 |
0.000 |
61 |
|
I |
6 |
2 |
18959 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
2 |
18817 |
67.7 |
1.0 |
0.818 |
2 |
0 |
0 |
0.000 |
| Average: |
70.1 |
1.0 |
0.809 |
2 |
0 |
0 |
0.000 |
| 36 |
62 |
|
I |
11 |
5 |
18959 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
8 |
4 |
18961 |
66.6 |
0.6 |
0.704 |
0 |
0 |
0 |
0.000 |
| 37 |
63 |
|
L |
6 |
3 |
2401 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19356 |
49.8 |
0.3 |
0.649 |
1 |
0 |
0 |
0.001 |
64 |
|
N |
6 |
3 |
2399 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
21016 |
49.5 |
0.3 |
0.658 |
1 |
0 |
0 |
0.001 |
| Average: |
49.7 |
0.3 |
0.653 |
1 |
0 |
0 |
0.001 |
| 38 |
65 |
|
N |
8 |
3 |
2399 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
18798 |
46.1 |
-1.1 |
0.485 |
0 |
0 |
0 |
0.007 |
66 |
|
L |
7 |
2 |
2401 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
18817 |
41.8 |
-0.9 |
0.510 |
0 |
0 |
0 |
0.007 |
| Average: |
44.0 |
-1.0 |
0.498 |
0 |
0 |
0 |
0.007 |
| 39 |
67 |
|
[BEF]B:401 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
18817 |
44.9 |
1.1 |
0.540 |
3 |
0 |
0 |
0.003 |
68 |
|
[BEF]G:407 |
4 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
18798 |
44.8 |
1.2 |
0.548 |
3 |
0 |
0 |
0.003 |
| Average: |
44.8 |
1.2 |
0.544 |
3 |
0 |
0 |
0.003 |
| 40 |
69 |
|
[BEF]I:409 |
4 |
1 |
181 |
◊ |
I |
x,y,z |
1_555 |
9 |
5 |
18959 |
43.3 |
1.1 |
0.547 |
1 |
0 |
0 |
0.000 |
70 |
|
[BEF]C:403 |
4 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
18961 |
42.4 |
1.1 |
0.545 |
1 |
0 |
0 |
0.000 |
| Average: |
42.8 |
1.1 |
0.546 |
1 |
0 |
0 |
0.000 |
| 41 |
71 |
|
[BEF]I:411 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
8 |
5 |
17097 |
41.0 |
1.1 |
0.549 |
1 |
0 |
0 |
0.000 |
72 |
|
[BEF]D:405 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
17093 |
40.0 |
1.0 |
0.547 |
1 |
0 |
0 |
0.000 |
| Average: |
40.5 |
1.0 |
0.548 |
1 |
0 |
0 |
0.000 |
| 42 |
73 |
|
N |
7 |
3 |
2399 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
18959 |
40.1 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.001 |
74 |
|
L |
7 |
3 |
2401 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
18961 |
38.7 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.001 |
| Average: |
39.4 |
-0.1 |
0.584 |
0 |
0 |
0 |
0.001 |
| 43 |
75 |
|
[BEF]C:403 |
4 |
1 |
181 |
f |
[ADP]C:402 |
x,y,z |
1_555 |
7 |
1 |
546 |
38.8 |
-1.8 |
0.338 |
1 |
0 |
0 |
0.029 |
76 |
|
[BEF]I:409 |
4 |
1 |
181 |
f |
[ADP]H:408 |
x,y,z |
1_555 |
6 |
1 |
545 |
38.2 |
-1.8 |
0.317 |
1 |
0 |
0 |
0.029 |
| Average: |
38.5 |
-1.8 |
0.327 |
1 |
0 |
0 |
0.029 |
| 44 |
77 |
|
[BEF]B:401 |
4 |
1 |
182 |
f |
[ADP]B:400 |
x,y,z |
1_555 |
5 |
1 |
549 |
38.1 |
-1.8 |
0.291 |
1 |
0 |
0 |
0.053 |
78 |
|
[BEF]G:407 |
4 |
1 |
183 |
f |
[ADP]G:406 |
x,y,z |
1_555 |
6 |
1 |
542 |
37.1 |
-1.7 |
0.314 |
1 |
0 |
0 |
0.053 |
| Average: |
37.6 |
-1.8 |
0.302 |
1 |
0 |
0 |
0.053 |
| 45 |
79 |
|
[BEF]D:405 |
4 |
1 |
184 |
f |
[ADP]D:404 |
x,y,z |
1_555 |
6 |
1 |
544 |
37.9 |
-1.9 |
0.311 |
1 |
0 |
0 |
0.055 |
80 |
|
[BEF]I:411 |
4 |
1 |
184 |
f |
[ADP]I:410 |
x,y,z |
1_555 |
5 |
1 |
542 |
37.4 |
-1.8 |
0.288 |
0 |
0 |
0 |
0.055 |
| Average: |
37.7 |
-1.9 |
0.299 |
1 |
0 |
0 |
0.055 |
| 46 |
81 |
|
[ADP]I:410 |
5 |
1 |
542 |
◊ |
J |
x,y,z |
1_555 |
6 |
3 |
17097 |
37.3 |
-0.4 |
0.638 |
0 |
0 |
0 |
0.011 |
82 |
|
[ADP]D:404 |
5 |
1 |
544 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
17093 |
34.0 |
-0.3 |
0.662 |
0 |
0 |
0 |
0.011 |
| Average: |
35.6 |
-0.4 |
0.650 |
0 |
0 |
0 |
0.011 |
| 47 |
83 |
|
[ADP]B:400 |
5 |
1 |
549 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
18817 |
36.0 |
-0.4 |
0.656 |
0 |
0 |
0 |
0.004 |
84 |
|
[ADP]G:406 |
6 |
1 |
542 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
18798 |
35.1 |
-0.2 |
0.696 |
0 |
0 |
0 |
0.004 |
| Average: |
35.5 |
-0.3 |
0.676 |
0 |
0 |
0 |
0.004 |
| 48 |
85 |
|
[MG]D:414 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
18961 |
33.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.094 |
86 |
|
[MG]I:417 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
6 |
5 |
18959 |
32.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
32.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.094 |
| 49 |
87 |
|
[MG]H:416 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
18798 |
33.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.048 |
88 |
|
[MG]C:413 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
18817 |
33.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
33.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.048 |
| 50 |
89 |
|
[ADP]H:408 |
5 |
1 |
545 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
18959 |
32.4 |
-0.4 |
0.649 |
0 |
0 |
0 |
0.005 |
90 |
|
[ADP]C:402 |
5 |
1 |
546 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
18961 |
32.0 |
-0.3 |
0.660 |
0 |
0 |
0 |
0.005 |
| Average: |
32.2 |
-0.3 |
0.654 |
0 |
0 |
0 |
0.005 |
| 51 |
91 |
|
[MG]B:412 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19356 |
31.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.099 |
92 |
|
[MG]G:415 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
21016 |
30.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.099 |
| Average: |
31.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.099 |
| 52 |
93 |
|
[MG]H:416 |
1 |
1 |
98 |
f |
[ADP]H:408 |
x,y,z |
1_555 |
4 |
1 |
545 |
22.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.084 |
94 |
|
[MG]G:415 |
1 |
1 |
98 |
f |
[ADP]G:406 |
x,y,z |
1_555 |
4 |
1 |
542 |
21.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.084 |
95 |
|
[MG]C:413 |
1 |
1 |
98 |
f |
[ADP]C:402 |
x,y,z |
1_555 |
4 |
1 |
546 |
21.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.084 |
96 |
|
[MG]B:412 |
1 |
1 |
98 |
f |
[ADP]B:400 |
x,y,z |
1_555 |
4 |
1 |
549 |
21.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.084 |
97 |
|
[MG]D:414 |
1 |
1 |
98 |
f |
[ADP]D:404 |
x,y,z |
1_555 |
4 |
1 |
544 |
21.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.084 |
98 |
|
[MG]I:417 |
1 |
1 |
98 |
f |
[ADP]I:410 |
x,y,z |
1_555 |
4 |
1 |
542 |
21.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
21.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.084 |
| 53 |
99 |
|
[MG]C:413 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
18961 |
20.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.023 |
100 |
|
[MG]H:416 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
18959 |
19.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
19.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.023 |
| 54 |
101 |
|
[MG]I:417 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
4 |
3 |
17097 |
20.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.038 |
102 |
|
[MG]D:414 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
17093 |
17.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
19.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.038 |
| 55 |
103 |
|
[MG]G:415 |
1 |
1 |
98 |
f |
[BEF]G:407 |
x,y,z |
1_555 |
3 |
1 |
183 |
19.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.041 |
104 |
|
[MG]B:412 |
1 |
1 |
98 |
f |
[BEF]B:401 |
x,y,z |
1_555 |
3 |
1 |
182 |
18.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
19.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| 56 |
105 |
|
[MG]G:415 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
18798 |
19.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
106 |
|
[MG]B:412 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
18817 |
17.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
18.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 57 |
107 |
|
[MG]D:414 |
1 |
1 |
98 |
f |
[BEF]D:405 |
x,y,z |
1_555 |
3 |
1 |
184 |
18.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
108 |
|
[MG]C:413 |
1 |
1 |
98 |
f |
[BEF]C:403 |
x,y,z |
1_555 |
3 |
1 |
181 |
17.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
109 |
|
[MG]I:417 |
1 |
1 |
98 |
f |
[BEF]I:411 |
x,y,z |
1_555 |
3 |
1 |
184 |
17.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
110 |
|
[MG]H:416 |
1 |
1 |
98 |
f |
[BEF]I:409 |
x,y,z |
1_555 |
3 |
1 |
181 |
17.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
17.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
| 58 |
111 |
|
J |
2 |
1 |
17097 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
21016 |
17.3 |
-0.5 |
0.323 |
0 |
0 |
0 |
0.003 |
112 |
|
E |
2 |
1 |
17093 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
19356 |
12.9 |
-0.2 |
0.425 |
0 |
0 |
0 |
0.003 |
| Average: |
15.1 |
-0.3 |
0.374 |
0 |
0 |
0 |
0.003 |
| 59 |
113 |
|
N |
1 |
1 |
2399 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
2401 |
16.0 |
0.6 |
0.765 |
0 |
0 |
0 |
0.000 |
| 60 |
114 |
|
I |
1 |
1 |
18959 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
18961 |
13.6 |
0.3 |
0.778 |
0 |
0 |
0 |
0.000 |
| 61 |
115 |
|
H |
2 |
1 |
18798 |
◊ |
J |
x-1,y,z |
1_455 |
1 |
1 |
17097 |
10.7 |
0.4 |
0.826 |
0 |
0 |
0 |
0.000 |
| 62 |
116 |
|
I |
1 |
1 |
18959 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
21016 |
7.9 |
0.4 |
0.856 |
0 |
0 |
0 |
0.000 |
117 |
|
D |
1 |
1 |
18961 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19356 |
3.8 |
0.2 |
0.802 |
0 |
0 |
0 |
0.000 |
| Average: |
5.8 |
0.3 |
0.829 |
0 |
0 |
0 |
0.000 |
|