| ## |
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 |
76 |
18 |
2907 |
◊ |
D |
x,y,z |
1_555 |
66 |
17 |
2868 |
623.3 |
-7.7 |
0.853 |
12 |
0 |
0 |
0.771 |
2 |
|
L |
69 |
17 |
2845 |
◊ |
F |
x,y,z |
1_555 |
71 |
18 |
2969 |
609.5 |
-9.5 |
0.788 |
9 |
0 |
0 |
0.771 |
3 |
|
J |
75 |
17 |
3001 |
◊ |
B |
x,y,z |
1_555 |
70 |
17 |
2829 |
606.8 |
-9.7 |
0.823 |
11 |
0 |
0 |
0.771 |
| Average: |
613.2 |
-9.0 |
0.821 |
11 |
0 |
0 |
0.771 |
| 2 |
4 |
|
H |
60 |
16 |
2907 |
◊ |
G |
x,y,z |
1_555 |
58 |
13 |
2071 |
561.9 |
-11.2 |
0.450 |
6 |
2 |
2 |
0.953 |
5 |
|
J |
60 |
16 |
3001 |
◊ |
I |
x,y,z |
1_555 |
51 |
13 |
2155 |
554.6 |
-12.2 |
0.294 |
6 |
2 |
2 |
0.953 |
6 |
|
D |
53 |
16 |
2868 |
◊ |
C |
x,y,z |
1_555 |
52 |
13 |
2101 |
526.9 |
-11.5 |
0.378 |
8 |
2 |
2 |
0.953 |
7 |
|
B |
58 |
16 |
2829 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
2083 |
525.5 |
-11.5 |
0.404 |
8 |
2 |
2 |
0.953 |
8 |
|
L |
51 |
15 |
2845 |
◊ |
K |
x,y,z |
1_555 |
52 |
12 |
2083 |
515.7 |
-13.4 |
0.247 |
5 |
2 |
2 |
0.953 |
9 |
|
F |
48 |
14 |
2969 |
◊ |
E |
x,y,z |
1_555 |
48 |
12 |
2111 |
488.1 |
-10.4 |
0.346 |
7 |
2 |
2 |
0.953 |
| Average: |
528.8 |
-11.7 |
0.353 |
7 |
2 |
2 |
0.953 |
| 3 |
10 |
|
B |
22 |
5 |
2829 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
30 |
8 |
2155 |
233.9 |
-1.9 |
0.760 |
5 |
0 |
0 |
0.000 |
| 4 |
11 |
|
G |
20 |
5 |
2071 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
18 |
3 |
2083 |
178.7 |
-0.8 |
0.823 |
3 |
0 |
0 |
0.000 |
| 5 |
12 |
|
L |
25 |
6 |
2845 |
◊ |
H |
x,y,z |
1_555 |
20 |
7 |
2907 |
166.8 |
-3.1 |
0.486 |
0 |
0 |
0 |
0.111 |
13 |
|
F |
20 |
6 |
2969 |
◊ |
D |
x,y,z |
1_555 |
22 |
5 |
2868 |
154.1 |
-3.7 |
0.461 |
0 |
0 |
0 |
0.111 |
14 |
|
J |
17 |
7 |
3001 |
◊ |
H |
x,y,z |
1_555 |
19 |
5 |
2907 |
147.2 |
-3.3 |
0.407 |
0 |
0 |
0 |
0.111 |
15 |
|
L |
14 |
6 |
2845 |
◊ |
J |
x,y,z |
1_555 |
16 |
4 |
3001 |
113.1 |
-2.5 |
0.485 |
0 |
0 |
0 |
0.111 |
16 |
|
D |
14 |
6 |
2868 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
2829 |
107.0 |
-1.9 |
0.577 |
0 |
0 |
0 |
0.111 |
17 |
|
F |
14 |
5 |
2969 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
2829 |
97.6 |
-1.3 |
0.652 |
0 |
0 |
0 |
0.111 |
| Average: |
131.0 |
-2.6 |
0.511 |
0 |
0 |
0 |
0.111 |
| 6 |
18 |
|
B |
20 |
4 |
2829 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
2111 |
156.1 |
-2.9 |
0.615 |
1 |
0 |
0 |
0.046 |
19 |
|
F |
15 |
3 |
2969 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
2101 |
135.9 |
-1.9 |
0.613 |
2 |
0 |
0 |
0.046 |
20 |
|
L |
20 |
4 |
2845 |
◊ |
I |
x,y,z |
1_555 |
16 |
6 |
2155 |
133.9 |
-2.6 |
0.601 |
0 |
0 |
0 |
0.046 |
21 |
|
H |
19 |
4 |
2907 |
◊ |
K |
x,y,z |
1_555 |
16 |
5 |
2083 |
132.8 |
-2.5 |
0.575 |
1 |
0 |
0 |
0.046 |
22 |
|
J |
15 |
3 |
3001 |
◊ |
G |
x,y,z |
1_555 |
17 |
5 |
2071 |
129.3 |
-1.6 |
0.682 |
2 |
0 |
0 |
0.046 |
23 |
|
D |
19 |
3 |
2868 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
2083 |
126.8 |
-2.9 |
0.606 |
0 |
0 |
0 |
0.046 |
| Average: |
135.8 |
-2.4 |
0.615 |
1 |
0 |
0 |
0.046 |
| 7 |
24 |
|
F |
16 |
4 |
2969 |
◊ |
F |
-x,y,-z |
2_555 |
16 |
4 |
2969 |
140.1 |
-4.1 |
0.392 |
0 |
0 |
0 |
0.000 |
| 8 |
25 |
|
G |
19 |
4 |
2071 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
19 |
4 |
2071 |
135.3 |
-3.1 |
0.529 |
0 |
0 |
0 |
0.000 |
| 9 |
26 |
|
J |
16 |
4 |
3001 |
◊ |
F |
x,y,z |
1_555 |
11 |
5 |
2969 |
125.5 |
-2.5 |
0.472 |
0 |
0 |
0 |
0.037 |
27 |
|
H |
9 |
4 |
2907 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
2829 |
113.7 |
-2.2 |
0.333 |
0 |
0 |
0 |
0.037 |
28 |
|
L |
10 |
4 |
2845 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
2868 |
101.8 |
-2.3 |
0.449 |
0 |
0 |
0 |
0.037 |
| Average: |
113.7 |
-2.3 |
0.418 |
0 |
0 |
0 |
0.037 |
| 10 |
29 |
|
C |
17 |
3 |
2101 |
◊ |
J |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
1 |
3001 |
111.5 |
-2.0 |
0.392 |
1 |
0 |
0 |
0.000 |
| 11 |
30 |
|
C |
13 |
5 |
2101 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
3 |
2907 |
103.1 |
0.7 |
0.896 |
4 |
0 |
0 |
0.000 |
| 12 |
31 |
|
[URE]I:604 |
4 |
1 |
177 |
f |
I |
x,y,z |
1_555 |
9 |
5 |
2155 |
96.2 |
0.9 |
0.522 |
7 |
0 |
0 |
0.100 |
| 13 |
32 |
|
[URE]E:605 |
4 |
1 |
178 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
2111 |
92.2 |
0.6 |
0.527 |
6 |
0 |
0 |
0.100 |
| 14 |
33 |
|
[URE]A:603 |
4 |
1 |
177 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
2083 |
91.5 |
0.7 |
0.460 |
7 |
0 |
0 |
0.100 |
34 |
|
[URE]G:606 |
4 |
1 |
177 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
2071 |
87.5 |
0.4 |
0.448 |
6 |
0 |
0 |
0.100 |
| Average: |
89.5 |
0.5 |
0.454 |
7 |
0 |
0 |
0.100 |
| 15 |
35 |
|
[URE]C:607 |
4 |
1 |
177 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
2101 |
89.3 |
0.4 |
0.441 |
6 |
0 |
0 |
0.100 |
| 16 |
36 |
|
[URE]F:601 |
4 |
1 |
178 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
2969 |
84.8 |
-0.1 |
0.479 |
2 |
0 |
0 |
0.040 |
| 17 |
37 |
|
[RCO]B:506 |
8 |
1 |
247 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
2829 |
81.3 |
1.3 |
0.055 |
1 |
0 |
0 |
0.000 |
| 18 |
38 |
|
[RCO]J:507 |
8 |
1 |
247 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
2111 |
81.1 |
1.9 |
0.697 |
0 |
0 |
0 |
0.000 |
| 19 |
39 |
|
D |
11 |
2 |
2868 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
2845 |
79.6 |
-1.4 |
0.545 |
0 |
0 |
0 |
0.000 |
| 20 |
40 |
|
E |
6 |
3 |
2111 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
12 |
3 |
2155 |
78.9 |
-0.7 |
0.613 |
0 |
0 |
0 |
0.000 |
| 21 |
41 |
|
[RCO]I:505 |
8 |
1 |
248 |
◊ |
I |
x,y,z |
1_555 |
13 |
6 |
2155 |
75.9 |
1.4 |
0.030 |
2 |
0 |
0 |
0.000 |
42 |
|
[RCO]A:501 |
8 |
1 |
249 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
2083 |
75.1 |
1.5 |
0.036 |
2 |
0 |
0 |
0.000 |
| Average: |
75.5 |
1.5 |
0.033 |
2 |
0 |
0 |
0.000 |
| 22 |
43 |
|
[RCO]K:508 |
8 |
1 |
246 |
◊ |
K |
x,y,z |
1_555 |
13 |
6 |
2083 |
75.6 |
1.4 |
0.031 |
2 |
0 |
0 |
0.000 |
44 |
|
[RCO]C:504 |
7 |
1 |
247 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
2101 |
74.9 |
1.4 |
0.071 |
2 |
0 |
0 |
0.000 |
45 |
|
[RCO]E:503 |
8 |
1 |
247 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
2111 |
72.9 |
1.5 |
0.821 |
2 |
0 |
0 |
0.000 |
46 |
|
[RCO]G:502 |
8 |
1 |
247 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
2071 |
72.8 |
1.2 |
0.044 |
2 |
0 |
0 |
0.000 |
| Average: |
74.1 |
1.4 |
0.242 |
2 |
0 |
0 |
0.000 |
| 23 |
47 |
|
A |
7 |
3 |
2083 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
8 |
1 |
2155 |
74.6 |
-1.8 |
0.412 |
0 |
0 |
0 |
0.000 |
| 24 |
48 |
|
[RCO]I:505 |
8 |
1 |
248 |
◊ |
J |
x,y,z |
1_555 |
11 |
4 |
3001 |
72.0 |
1.2 |
0.042 |
0 |
0 |
0 |
0.000 |
49 |
|
[RCO]A:501 |
8 |
1 |
249 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
2829 |
70.8 |
1.2 |
0.045 |
0 |
0 |
0 |
0.000 |
| Average: |
71.4 |
1.2 |
0.044 |
0 |
0 |
0 |
0.000 |
| 25 |
50 |
|
J |
9 |
3 |
3001 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
2111 |
71.4 |
-2.0 |
0.284 |
0 |
0 |
0 |
0.026 |
51 |
|
L |
10 |
3 |
2845 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
2101 |
64.3 |
-1.8 |
0.361 |
0 |
0 |
0 |
0.026 |
52 |
|
F |
8 |
2 |
2969 |
◊ |
I |
x,y,z |
1_555 |
5 |
1 |
2155 |
58.3 |
-1.6 |
0.323 |
0 |
0 |
0 |
0.026 |
53 |
|
D |
9 |
2 |
2868 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
2083 |
57.3 |
-1.5 |
0.284 |
0 |
0 |
0 |
0.026 |
54 |
|
B |
8 |
2 |
2829 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
2071 |
56.9 |
-1.7 |
0.274 |
0 |
0 |
0 |
0.026 |
55 |
|
H |
7 |
2 |
2907 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2083 |
45.5 |
-1.2 |
0.258 |
0 |
0 |
0 |
0.026 |
| Average: |
59.0 |
-1.6 |
0.297 |
0 |
0 |
0 |
0.026 |
| 26 |
56 |
|
F |
10 |
3 |
2969 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
6 |
3 |
2155 |
71.0 |
1.1 |
0.912 |
1 |
0 |
0 |
0.000 |
| 27 |
57 |
|
[RCO]C:504 |
8 |
1 |
247 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
2868 |
70.2 |
1.1 |
0.034 |
0 |
0 |
0 |
0.000 |
58 |
|
[RCO]K:508 |
8 |
1 |
246 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
2845 |
69.7 |
1.1 |
0.036 |
0 |
0 |
0 |
0.000 |
59 |
|
[RCO]E:503 |
8 |
1 |
247 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
2969 |
69.0 |
1.1 |
0.032 |
0 |
0 |
0 |
0.000 |
60 |
|
[RCO]G:502 |
8 |
1 |
247 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
2907 |
65.3 |
1.0 |
0.035 |
0 |
0 |
0 |
0.000 |
| Average: |
68.5 |
1.1 |
0.034 |
0 |
0 |
0 |
0.000 |
| 28 |
61 |
|
F |
9 |
2 |
2969 |
◊ |
J |
-x+1/2,y-1/2,-z |
4_545 |
7 |
1 |
3001 |
69.8 |
0.0 |
0.784 |
0 |
0 |
0 |
0.000 |
| 29 |
62 |
|
[RCO]B:506 |
6 |
1 |
247 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
2907 |
67.8 |
1.8 |
0.263 |
1 |
0 |
0 |
0.000 |
| 30 |
63 |
|
[RCO]A:501 |
8 |
1 |
249 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
2868 |
66.1 |
0.8 |
0.526 |
0 |
0 |
0 |
0.000 |
64 |
|
[RCO]I:505 |
8 |
1 |
248 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
2845 |
63.5 |
0.7 |
0.622 |
0 |
0 |
0 |
0.000 |
| Average: |
64.8 |
0.7 |
0.574 |
0 |
0 |
0 |
0.000 |
| 31 |
65 |
|
[GOL]F:701 |
5 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
15 |
5 |
2969 |
63.1 |
-0.4 |
0.718 |
2 |
0 |
0 |
0.053 |
| 32 |
66 |
|
[RCO]E:503 |
8 |
1 |
247 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
2829 |
62.8 |
0.8 |
0.564 |
0 |
0 |
0 |
0.000 |
67 |
|
[RCO]C:504 |
8 |
1 |
247 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
2969 |
60.5 |
0.7 |
0.519 |
0 |
0 |
0 |
0.000 |
68 |
|
[RCO]K:508 |
8 |
1 |
246 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
2907 |
59.9 |
0.8 |
0.542 |
0 |
0 |
0 |
0.000 |
69 |
|
[RCO]G:502 |
8 |
1 |
247 |
◊ |
J |
x,y,z |
1_555 |
6 |
3 |
3001 |
56.7 |
0.6 |
0.544 |
0 |
0 |
0 |
0.000 |
| Average: |
60.0 |
0.7 |
0.542 |
0 |
0 |
0 |
0.000 |
| 33 |
70 |
|
D |
8 |
2 |
2868 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
3 |
2083 |
61.6 |
-1.3 |
0.566 |
0 |
0 |
0 |
0.000 |
| 34 |
71 |
|
C |
8 |
2 |
2101 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
3 |
2845 |
60.3 |
-0.4 |
0.646 |
1 |
0 |
0 |
0.000 |
| 35 |
72 |
|
[CL]F:404 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
2969 |
60.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.457 |
73 |
|
[CL]H:405 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
2907 |
57.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.457 |
74 |
|
[CL]J:403 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
5 |
3001 |
56.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.457 |
| Average: |
58.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.457 |
| 36 |
75 |
|
[RCO]B:506 |
6 |
1 |
247 |
f |
J |
x,y,z |
1_555 |
8 |
4 |
3001 |
58.3 |
0.5 |
0.721 |
1 |
0 |
0 |
0.000 |
| 37 |
76 |
|
D |
6 |
1 |
2868 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
9 |
2 |
2111 |
57.9 |
-1.8 |
0.424 |
0 |
0 |
0 |
0.000 |
| 38 |
77 |
|
J |
8 |
4 |
3001 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2083 |
57.0 |
0.4 |
0.813 |
1 |
0 |
0 |
0.011 |
78 |
|
D |
7 |
4 |
2868 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
2071 |
56.6 |
0.3 |
0.797 |
1 |
0 |
0 |
0.011 |
79 |
|
F |
7 |
3 |
2969 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
2083 |
47.8 |
-0.7 |
0.602 |
0 |
0 |
0 |
0.011 |
80 |
|
H |
7 |
4 |
2907 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2101 |
47.7 |
0.1 |
0.777 |
1 |
0 |
0 |
0.011 |
81 |
|
L |
7 |
4 |
2845 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
2111 |
41.3 |
0.3 |
0.838 |
1 |
0 |
0 |
0.011 |
82 |
|
B |
4 |
2 |
2829 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
2155 |
40.2 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.011 |
| Average: |
48.4 |
0.0 |
0.735 |
1 |
0 |
0 |
0.011 |
| 39 |
83 |
|
[GOL]F:701 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
2829 |
56.2 |
-1.2 |
0.455 |
0 |
0 |
0 |
0.017 |
| 40 |
84 |
|
H |
5 |
1 |
2907 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
2083 |
55.5 |
-1.8 |
0.255 |
0 |
0 |
0 |
0.000 |
| 41 |
85 |
|
B |
6 |
2 |
2829 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
6 |
3 |
2071 |
54.5 |
0.5 |
0.837 |
0 |
0 |
0 |
0.000 |
| 42 |
86 |
|
[RCO]J:507 |
6 |
1 |
247 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
3001 |
53.7 |
0.8 |
0.798 |
0 |
0 |
0 |
0.000 |
| 43 |
87 |
|
[URE]F:601 |
3 |
1 |
178 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
2845 |
51.9 |
-0.2 |
0.309 |
2 |
0 |
0 |
0.090 |
| 44 |
88 |
|
[URE]G:602 |
4 |
1 |
177 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
13 |
4 |
2071 |
51.8 |
0.3 |
0.497 |
1 |
0 |
0 |
0.000 |
| 45 |
89 |
|
K |
5 |
1 |
2083 |
◊ |
E |
-x,y,-z |
2_555 |
6 |
3 |
2111 |
51.0 |
-0.3 |
0.675 |
0 |
0 |
0 |
0.000 |
| 46 |
90 |
|
C |
7 |
1 |
2101 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
2071 |
48.5 |
-0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
| 47 |
91 |
|
[GOL]F:701 |
3 |
1 |
219 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
7 |
2 |
2155 |
41.2 |
0.3 |
0.636 |
1 |
0 |
0 |
0.000 |
| 48 |
92 |
|
[CL]H:401 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
3001 |
34.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.161 |
93 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
2868 |
34.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.161 |
94 |
|
[CL]H:401 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
2845 |
33.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.161 |
95 |
|
[CL]H:401 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
2907 |
32.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.161 |
96 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
2969 |
32.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.161 |
97 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
2829 |
32.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.161 |
| Average: |
33.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.161 |
| 49 |
98 |
|
[URE]G:606 |
3 |
1 |
177 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
6 |
1 |
2829 |
34.6 |
0.7 |
0.524 |
0 |
0 |
0 |
0.000 |
| 50 |
99 |
|
[URE]G:602 |
3 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2083 |
34.6 |
0.3 |
0.452 |
1 |
0 |
0 |
0.000 |
| 51 |
100 |
|
K |
3 |
1 |
2083 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2101 |
33.2 |
-1.1 |
0.309 |
0 |
0 |
0 |
0.007 |
101 |
|
I |
2 |
1 |
2155 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
2111 |
27.4 |
-0.9 |
0.237 |
0 |
0 |
0 |
0.007 |
102 |
|
G |
4 |
2 |
2071 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
2083 |
24.2 |
-0.6 |
0.443 |
0 |
0 |
0 |
0.007 |
| Average: |
28.3 |
-0.9 |
0.330 |
0 |
0 |
0 |
0.007 |
| 52 |
103 |
|
[CL]H:405 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
2083 |
32.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.025 |
104 |
|
[CL]J:403 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
2071 |
23.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.025 |
105 |
|
[CL]F:404 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
2101 |
21.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
25.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.025 |
| 53 |
106 |
|
H |
7 |
3 |
2907 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
7 |
2 |
2071 |
31.0 |
-0.5 |
0.651 |
0 |
0 |
0 |
0.000 |
| 54 |
107 |
|
D |
4 |
2 |
2868 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
2155 |
30.3 |
0.5 |
0.834 |
1 |
0 |
0 |
0.000 |
| 55 |
108 |
|
[URE]G:602 |
3 |
1 |
177 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
2907 |
26.5 |
1.1 |
0.353 |
0 |
0 |
0 |
0.000 |
| 56 |
109 |
|
[ZN]H:301 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
3001 |
26.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.451 |
110 |
|
[ZN]B:302 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
2868 |
25.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.451 |
111 |
|
[ZN]H:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
2845 |
25.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.451 |
112 |
|
[ZN]B:302 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
2969 |
25.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.451 |
113 |
|
[ZN]B:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
2829 |
24.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.451 |
114 |
|
[ZN]H:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
2907 |
24.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.451 |
| Average: |
25.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.451 |
| 57 |
115 |
|
F |
3 |
1 |
2969 |
◊ |
K |
-x,y,-z |
2_555 |
3 |
1 |
2083 |
25.4 |
0.3 |
0.735 |
1 |
0 |
0 |
0.000 |
| 58 |
116 |
|
[URE]G:602 |
3 |
1 |
177 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
2907 |
24.0 |
0.5 |
0.392 |
0 |
0 |
0 |
0.000 |
| 59 |
117 |
|
[RCO]C:504 |
3 |
1 |
247 |
f |
L |
x,y,z |
1_555 |
2 |
1 |
2845 |
23.3 |
-0.1 |
0.561 |
0 |
0 |
0 |
0.010 |
118 |
|
[RCO]E:503 |
1 |
1 |
247 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
3001 |
18.9 |
-0.1 |
0.434 |
0 |
0 |
0 |
0.010 |
119 |
|
[RCO]G:502 |
1 |
1 |
247 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
2829 |
16.5 |
-0.1 |
0.454 |
0 |
0 |
0 |
0.010 |
| Average: |
19.5 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.010 |
| 60 |
120 |
|
[RCO]K:508 |
3 |
1 |
246 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
2868 |
23.1 |
-0.1 |
0.565 |
0 |
0 |
0 |
0.100 |
| 61 |
121 |
|
B |
2 |
1 |
2829 |
◊ |
[URE]I:604 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
177 |
22.6 |
-0.4 |
0.216 |
0 |
0 |
0 |
0.000 |
| 62 |
122 |
|
[RCO]G:502 |
4 |
1 |
247 |
◊ |
[RCO]B:506 |
x,y,z |
1_555 |
4 |
1 |
247 |
22.5 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 63 |
123 |
|
[URE]G:602 |
2 |
1 |
177 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
2071 |
22.4 |
0.5 |
0.536 |
2 |
0 |
0 |
0.016 |
| 64 |
124 |
|
A |
4 |
2 |
2083 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
2111 |
22.0 |
-0.3 |
0.623 |
0 |
0 |
0 |
0.000 |
| 65 |
125 |
|
D |
1 |
1 |
2868 |
◊ |
J |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
3001 |
21.4 |
0.5 |
0.869 |
0 |
0 |
0 |
0.000 |
| 66 |
126 |
|
[GOL]F:701 |
2 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
2111 |
20.3 |
0.1 |
0.665 |
1 |
0 |
0 |
0.009 |
| 67 |
127 |
|
[RCO]I:505 |
3 |
1 |
248 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
2969 |
19.8 |
-0.1 |
0.581 |
0 |
0 |
0 |
0.004 |
128 |
|
[RCO]A:501 |
3 |
1 |
249 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
2907 |
17.9 |
-0.1 |
0.425 |
0 |
0 |
0 |
0.004 |
| Average: |
18.9 |
-0.1 |
0.503 |
0 |
0 |
0 |
0.004 |
| 68 |
129 |
|
[GOL]F:701 |
2 |
1 |
219 |
◊ |
J |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
3001 |
19.5 |
0.6 |
0.746 |
0 |
0 |
0 |
0.000 |
| 69 |
130 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.132 |
| 70 |
131 |
|
[URE]F:601 |
2 |
1 |
178 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
2111 |
18.0 |
-0.1 |
0.336 |
0 |
0 |
0 |
0.001 |
| 71 |
132 |
|
[CL]H:401 |
1 |
1 |
125 |
f |
[ZN]H:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.115 |
| 72 |
133 |
|
[URE]G:602 |
1 |
1 |
177 |
◊ |
[URE]G:602 |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
177 |
14.9 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 73 |
134 |
|
[GOL]F:701 |
1 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2868 |
13.8 |
0.3 |
0.646 |
0 |
0 |
0 |
0.000 |
| 74 |
135 |
|
C |
1 |
1 |
2101 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
2083 |
12.0 |
-0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
| 75 |
136 |
|
[RCO]J:507 |
3 |
1 |
247 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
2829 |
10.4 |
0.2 |
0.880 |
0 |
0 |
0 |
0.000 |
| 76 |
137 |
|
[URE]G:606 |
3 |
1 |
177 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
2083 |
6.1 |
0.1 |
0.319 |
0 |
0 |
0 |
0.000 |
| 77 |
138 |
|
H |
4 |
2 |
2907 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
2845 |
6.1 |
-0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 78 |
139 |
|
C |
2 |
1 |
2101 |
◊ |
[CL]H:405 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
125 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 79 |
140 |
|
[GOL]F:701 |
1 |
1 |
219 |
◊ |
[CL]B:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| 80 |
141 |
|
D |
1 |
1 |
2868 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
2907 |
0.7 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|