## |
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 |
|
B |
65 |
16 |
3941 |
◊ |
A |
x,y,z |
1_555 |
67 |
18 |
4262 |
627.6 |
-11.9 |
0.789 |
1 |
0 |
0 |
0.260 |
2 |
|
D |
64 |
17 |
3935 |
◊ |
C |
x,y,z |
1_555 |
66 |
18 |
4272 |
627.6 |
-11.9 |
0.776 |
1 |
0 |
0 |
0.260 |
3 |
|
F |
64 |
17 |
3947 |
◊ |
E |
x,y,z |
1_555 |
66 |
18 |
4269 |
626.0 |
-11.8 |
0.780 |
1 |
0 |
0 |
0.260 |
Average: |
627.1 |
-11.9 |
0.781 |
1 |
0 |
0 |
0.260 |
2 |
4 |
|
E |
41 |
13 |
4269 |
◊ |
C |
x,y,z |
1_555 |
45 |
17 |
4272 |
450.2 |
-8.8 |
0.776 |
2 |
0 |
0 |
0.304 |
5 |
|
C |
41 |
13 |
4272 |
◊ |
A |
x,y,z |
1_555 |
44 |
17 |
4262 |
449.9 |
-8.8 |
0.777 |
2 |
0 |
0 |
0.304 |
6 |
|
E |
45 |
17 |
4269 |
◊ |
A |
-y,x-y,z |
2_555 |
41 |
13 |
4262 |
449.6 |
-8.8 |
0.788 |
2 |
0 |
0 |
0.304 |
Average: |
449.9 |
-8.8 |
0.780 |
2 |
0 |
0 |
0.304 |
3 |
7 |
|
[BCL]F:45 |
41 |
1 |
1361 |
◊ |
[BCL]E:55 |
x,y,z |
1_555 |
55 |
1 |
1317 |
339.9 |
-0.3 |
0.848 |
0 |
0 |
0 |
0.005 |
8 |
|
[BCL]D:45 |
41 |
1 |
1359 |
◊ |
[BCL]C:55 |
x,y,z |
1_555 |
55 |
1 |
1314 |
338.0 |
-0.2 |
0.852 |
0 |
0 |
0 |
0.005 |
9 |
|
[BCL]B:45 |
40 |
1 |
1359 |
◊ |
[BCL]A:55 |
x,y,z |
1_555 |
56 |
1 |
1313 |
337.7 |
-0.2 |
0.852 |
0 |
0 |
0 |
0.005 |
Average: |
338.5 |
-0.2 |
0.851 |
0 |
0 |
0 |
0.005 |
4 |
10 |
|
[BCL]E:54 |
45 |
1 |
1351 |
f |
E |
x,y,z |
1_555 |
51 |
16 |
4269 |
329.7 |
-6.6 |
0.730 |
1 |
0 |
0 |
0.214 |
11 |
|
[BCL]C:54 |
44 |
1 |
1356 |
f |
C |
x,y,z |
1_555 |
51 |
16 |
4272 |
328.8 |
-6.0 |
0.747 |
1 |
0 |
0 |
0.214 |
12 |
|
[BCL]A:54 |
45 |
1 |
1355 |
f |
A |
x,y,z |
1_555 |
51 |
16 |
4262 |
328.0 |
-6.5 |
0.730 |
1 |
0 |
0 |
0.214 |
Average: |
328.8 |
-6.4 |
0.736 |
1 |
0 |
0 |
0.214 |
5 |
13 |
|
[RPA]F:43 |
32 |
1 |
1328 |
◊ |
F |
x,y,z |
1_555 |
44 |
9 |
3947 |
298.0 |
-1.4 |
0.722 |
1 |
0 |
0 |
0.039 |
14 |
|
[RPA]B:43 |
33 |
1 |
1325 |
◊ |
B |
x,y,z |
1_555 |
45 |
9 |
3941 |
297.2 |
-1.3 |
0.733 |
1 |
0 |
0 |
0.039 |
15 |
|
[RPA]D:43 |
32 |
1 |
1323 |
◊ |
D |
x,y,z |
1_555 |
45 |
9 |
3935 |
296.4 |
-1.4 |
0.730 |
1 |
0 |
0 |
0.039 |
Average: |
297.2 |
-1.4 |
0.728 |
1 |
0 |
0 |
0.039 |
6 |
16 |
|
[BCL]E:55 |
28 |
1 |
1317 |
f |
F |
x,y,z |
1_555 |
26 |
10 |
3947 |
251.7 |
-6.2 |
0.475 |
2 |
0 |
0 |
0.149 |
17 |
|
[BCL]C:55 |
28 |
1 |
1314 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
3935 |
251.5 |
-6.2 |
0.472 |
2 |
0 |
0 |
0.149 |
18 |
|
[BCL]A:55 |
29 |
1 |
1313 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
3941 |
250.7 |
-6.2 |
0.479 |
2 |
0 |
0 |
0.149 |
Average: |
251.3 |
-6.2 |
0.475 |
2 |
0 |
0 |
0.149 |
7 |
19 |
|
[BCL]B:45 |
37 |
1 |
1359 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
3941 |
238.9 |
-4.2 |
0.586 |
0 |
0 |
0 |
0.089 |
20 |
|
[BCL]F:45 |
38 |
1 |
1361 |
◊ |
F |
x,y,z |
1_555 |
32 |
9 |
3947 |
238.5 |
-4.2 |
0.611 |
0 |
0 |
0 |
0.089 |
21 |
|
[BCL]D:45 |
38 |
1 |
1359 |
◊ |
D |
x,y,z |
1_555 |
32 |
9 |
3935 |
237.6 |
-4.2 |
0.614 |
0 |
0 |
0 |
0.089 |
Average: |
238.3 |
-4.2 |
0.603 |
0 |
0 |
0 |
0.089 |
8 |
22 |
|
[BCL]C:54 |
18 |
1 |
1356 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
4262 |
230.9 |
-0.9 |
0.830 |
0 |
0 |
0 |
0.028 |
23 |
|
E |
31 |
12 |
4269 |
◊ |
[BCL]A:54 |
-y,x-y,z |
2_555 |
18 |
1 |
1355 |
230.8 |
-0.9 |
0.824 |
0 |
0 |
0 |
0.028 |
24 |
|
[BCL]E:54 |
18 |
1 |
1351 |
◊ |
C |
x,y,z |
1_555 |
32 |
12 |
4272 |
230.7 |
-0.9 |
0.835 |
0 |
0 |
0 |
0.028 |
Average: |
230.8 |
-0.9 |
0.830 |
0 |
0 |
0 |
0.028 |
9 |
25 |
|
[BCL]C:55 |
38 |
1 |
1314 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
4272 |
217.5 |
-6.2 |
0.569 |
0 |
0 |
0 |
0.132 |
26 |
|
[BCL]E:55 |
36 |
1 |
1317 |
◊ |
E |
x,y,z |
1_555 |
21 |
5 |
4269 |
216.7 |
-6.2 |
0.559 |
0 |
0 |
0 |
0.132 |
27 |
|
[BCL]A:55 |
37 |
1 |
1313 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
4262 |
216.4 |
-6.3 |
0.564 |
0 |
0 |
0 |
0.132 |
Average: |
216.9 |
-6.2 |
0.564 |
0 |
0 |
0 |
0.132 |
10 |
28 |
|
[RPA]D:43 |
31 |
1 |
1323 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
4272 |
187.2 |
-2.5 |
0.401 |
0 |
0 |
0 |
0.080 |
29 |
|
[RPA]F:43 |
32 |
1 |
1328 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
4269 |
186.9 |
-2.5 |
0.374 |
0 |
0 |
0 |
0.080 |
30 |
|
[RPA]B:43 |
32 |
1 |
1325 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
4262 |
186.9 |
-2.6 |
0.410 |
0 |
0 |
0 |
0.080 |
Average: |
187.0 |
-2.5 |
0.395 |
0 |
0 |
0 |
0.080 |
11 |
31 |
|
E |
25 |
6 |
4269 |
◊ |
[RPA]B:43 |
-y,x-y,z |
2_555 |
20 |
1 |
1325 |
180.3 |
0.2 |
0.819 |
1 |
0 |
0 |
0.008 |
32 |
|
[RPA]D:43 |
21 |
1 |
1323 |
◊ |
A |
x,y,z |
1_555 |
26 |
6 |
4262 |
180.1 |
0.2 |
0.822 |
1 |
0 |
0 |
0.008 |
33 |
|
[RPA]F:43 |
20 |
1 |
1328 |
◊ |
C |
x,y,z |
1_555 |
26 |
6 |
4272 |
179.8 |
0.2 |
0.822 |
1 |
0 |
0 |
0.008 |
Average: |
180.1 |
0.2 |
0.821 |
1 |
0 |
0 |
0.008 |
12 |
34 |
|
[BCL]F:45 |
26 |
1 |
1361 |
◊ |
[BCL]A:54 |
-y,x-y,z |
2_555 |
29 |
1 |
1355 |
167.2 |
-4.0 |
0.512 |
0 |
0 |
0 |
0.125 |
35 |
|
[BCL]B:45 |
27 |
1 |
1359 |
◊ |
[BCL]C:54 |
x,y,z |
1_555 |
29 |
1 |
1356 |
166.8 |
-4.0 |
0.523 |
0 |
0 |
0 |
0.125 |
36 |
|
[BCL]D:45 |
27 |
1 |
1359 |
◊ |
[BCL]E:54 |
x,y,z |
1_555 |
29 |
1 |
1351 |
166.5 |
-4.0 |
0.521 |
0 |
0 |
0 |
0.125 |
Average: |
166.8 |
-4.0 |
0.519 |
0 |
0 |
0 |
0.125 |
13 |
37 |
|
[RPA]F:43 |
18 |
1 |
1328 |
◊ |
[BCL]A:54 |
-y,x-y,z |
2_555 |
29 |
1 |
1355 |
162.1 |
0.9 |
0.648 |
0 |
0 |
0 |
0.000 |
38 |
|
[RPA]D:43 |
18 |
1 |
1323 |
◊ |
[BCL]E:54 |
x,y,z |
1_555 |
29 |
1 |
1351 |
161.6 |
1.0 |
0.654 |
0 |
0 |
0 |
0.000 |
39 |
|
[RPA]B:43 |
18 |
1 |
1325 |
◊ |
[BCL]C:54 |
x,y,z |
1_555 |
29 |
1 |
1356 |
160.8 |
0.9 |
0.648 |
0 |
0 |
0 |
0.000 |
Average: |
161.5 |
0.9 |
0.650 |
0 |
0 |
0 |
0.000 |
14 |
40 |
|
[BCL]D:45 |
21 |
1 |
1359 |
f |
C |
x,y,z |
1_555 |
23 |
7 |
4272 |
156.4 |
-4.8 |
0.456 |
0 |
0 |
0 |
0.152 |
41 |
|
[BCL]F:45 |
21 |
1 |
1361 |
f |
E |
x,y,z |
1_555 |
23 |
7 |
4269 |
156.2 |
-4.8 |
0.451 |
0 |
0 |
0 |
0.152 |
42 |
|
[BCL]B:45 |
20 |
1 |
1359 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
4262 |
155.6 |
-4.8 |
0.441 |
0 |
0 |
0 |
0.152 |
Average: |
156.1 |
-4.8 |
0.449 |
0 |
0 |
0 |
0.152 |
15 |
43 |
|
[BCL]E:54 |
20 |
1 |
1351 |
◊ |
F |
x,y,z |
1_555 |
24 |
6 |
3947 |
140.3 |
-5.1 |
0.356 |
0 |
0 |
0 |
0.107 |
44 |
|
[BCL]A:54 |
20 |
1 |
1355 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
3941 |
140.0 |
-5.1 |
0.352 |
0 |
0 |
0 |
0.107 |
45 |
|
[BCL]C:54 |
20 |
1 |
1356 |
◊ |
D |
x,y,z |
1_555 |
24 |
6 |
3935 |
139.3 |
-5.1 |
0.359 |
0 |
0 |
0 |
0.107 |
Average: |
139.9 |
-5.1 |
0.356 |
0 |
0 |
0 |
0.107 |
16 |
46 |
|
[BCL]A:55 |
17 |
1 |
1313 |
◊ |
[BCL]C:54 |
x,y,z |
1_555 |
20 |
1 |
1356 |
130.5 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.001 |
47 |
|
[BCL]E:55 |
17 |
1 |
1317 |
◊ |
[BCL]A:54 |
-y,x-y,z |
2_555 |
20 |
1 |
1355 |
130.1 |
-0.1 |
0.752 |
0 |
0 |
0 |
0.001 |
48 |
|
[BCL]C:55 |
17 |
1 |
1314 |
◊ |
[BCL]E:54 |
x,y,z |
1_555 |
19 |
1 |
1351 |
129.5 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.001 |
Average: |
130.0 |
-0.1 |
0.751 |
0 |
0 |
0 |
0.001 |
17 |
49 |
|
[RPA]F:43 |
10 |
1 |
1328 |
◊ |
A |
-y,x-y,z |
2_555 |
23 |
7 |
4262 |
125.8 |
-3.2 |
0.377 |
0 |
0 |
0 |
0.100 |
50 |
|
[RPA]B:43 |
10 |
1 |
1325 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
4272 |
125.2 |
-3.2 |
0.376 |
0 |
0 |
0 |
0.100 |
51 |
|
[RPA]D:43 |
10 |
1 |
1323 |
◊ |
E |
x,y,z |
1_555 |
23 |
7 |
4269 |
125.2 |
-3.2 |
0.376 |
0 |
0 |
0 |
0.100 |
Average: |
125.4 |
-3.2 |
0.376 |
0 |
0 |
0 |
0.100 |
18 |
52 |
|
[BCL]D:45 |
10 |
1 |
1359 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
4269 |
121.7 |
-1.5 |
0.690 |
0 |
0 |
0 |
0.048 |
53 |
|
[BCL]F:45 |
10 |
1 |
1361 |
◊ |
A |
-y,x-y,z |
2_555 |
16 |
5 |
4262 |
121.6 |
-1.5 |
0.690 |
0 |
0 |
0 |
0.048 |
54 |
|
[BCL]B:45 |
10 |
1 |
1359 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
4272 |
121.5 |
-1.6 |
0.687 |
0 |
0 |
0 |
0.048 |
Average: |
121.6 |
-1.5 |
0.689 |
0 |
0 |
0 |
0.048 |
19 |
55 |
|
[BOG]F:44 |
9 |
1 |
336 |
◊ |
F |
x,y,z |
1_555 |
20 |
7 |
3947 |
117.8 |
2.6 |
0.835 |
0 |
0 |
0 |
0.000 |
56 |
|
[BOG]B:44 |
9 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
3941 |
117.6 |
2.5 |
0.818 |
0 |
0 |
0 |
0.000 |
57 |
|
[BOG]D:44 |
9 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
3935 |
117.5 |
2.6 |
0.807 |
0 |
0 |
0 |
0.000 |
Average: |
117.6 |
2.6 |
0.820 |
0 |
0 |
0 |
0.000 |
20 |
58 |
|
[BCL]B:45 |
19 |
1 |
1359 |
f |
[BCL]A:54 |
x,y,z |
1_555 |
20 |
1 |
1355 |
114.2 |
-3.5 |
0.454 |
0 |
0 |
0 |
0.110 |
59 |
|
[BCL]F:45 |
19 |
1 |
1361 |
f |
[BCL]E:54 |
x,y,z |
1_555 |
20 |
1 |
1351 |
113.4 |
-3.5 |
0.452 |
0 |
0 |
0 |
0.110 |
60 |
|
[BCL]D:45 |
19 |
1 |
1359 |
f |
[BCL]C:54 |
x,y,z |
1_555 |
20 |
1 |
1356 |
113.1 |
-3.5 |
0.462 |
0 |
0 |
0 |
0.110 |
Average: |
113.5 |
-3.5 |
0.456 |
0 |
0 |
0 |
0.110 |
21 |
61 |
|
B |
12 |
3 |
3941 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
4272 |
104.2 |
-1.6 |
0.758 |
0 |
0 |
0 |
0.022 |
62 |
|
D |
12 |
3 |
3935 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
4269 |
103.4 |
-1.6 |
0.761 |
0 |
0 |
0 |
0.022 |
63 |
|
F |
12 |
3 |
3947 |
◊ |
A |
-y,x-y,z |
2_555 |
13 |
4 |
4262 |
103.4 |
-1.6 |
0.761 |
0 |
0 |
0 |
0.022 |
Average: |
103.6 |
-1.6 |
0.760 |
0 |
0 |
0 |
0.022 |
22 |
64 |
|
[BCL]C:55 |
7 |
1 |
1314 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
3947 |
101.8 |
-1.8 |
0.482 |
0 |
0 |
0 |
0.024 |
65 |
|
[BCL]E:55 |
8 |
1 |
1317 |
◊ |
B |
-y,x-y,z |
2_555 |
10 |
4 |
3941 |
101.3 |
-1.8 |
0.495 |
0 |
0 |
0 |
0.024 |
66 |
|
[BCL]A:55 |
7 |
1 |
1313 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
3935 |
100.8 |
-1.7 |
0.454 |
0 |
0 |
0 |
0.024 |
Average: |
101.3 |
-1.8 |
0.477 |
0 |
0 |
0 |
0.024 |
23 |
67 |
|
F |
15 |
7 |
3947 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
4272 |
99.0 |
-1.3 |
0.793 |
0 |
0 |
0 |
0.017 |
68 |
|
E |
13 |
5 |
4269 |
◊ |
B |
-y,x-y,z |
2_555 |
15 |
7 |
3941 |
98.9 |
-1.2 |
0.800 |
0 |
0 |
0 |
0.017 |
69 |
|
D |
15 |
7 |
3935 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
4262 |
98.6 |
-1.3 |
0.794 |
0 |
0 |
0 |
0.017 |
Average: |
98.8 |
-1.2 |
0.795 |
0 |
0 |
0 |
0.017 |
24 |
70 |
|
[BOG]D:44 |
8 |
1 |
336 |
f |
[BCL]C:54 |
x,y,z |
1_555 |
25 |
1 |
1356 |
95.1 |
2.4 |
0.778 |
0 |
0 |
0 |
0.000 |
71 |
|
[BOG]F:44 |
8 |
1 |
336 |
f |
[BCL]E:54 |
x,y,z |
1_555 |
25 |
1 |
1351 |
94.6 |
2.5 |
0.781 |
0 |
0 |
0 |
0.000 |
72 |
|
[BOG]B:44 |
8 |
1 |
336 |
f |
[BCL]A:54 |
x,y,z |
1_555 |
26 |
1 |
1355 |
94.3 |
2.5 |
0.783 |
0 |
0 |
0 |
0.000 |
Average: |
94.7 |
2.5 |
0.781 |
0 |
0 |
0 |
0.000 |
25 |
73 |
|
[BCL]D:45 |
11 |
1 |
1359 |
f |
[RPA]D:43 |
x,y,z |
1_555 |
12 |
1 |
1323 |
90.8 |
1.8 |
0.730 |
0 |
0 |
0 |
0.000 |
74 |
|
[BCL]B:45 |
11 |
1 |
1359 |
f |
[RPA]B:43 |
x,y,z |
1_555 |
12 |
1 |
1325 |
90.7 |
1.8 |
0.731 |
0 |
0 |
0 |
0.000 |
75 |
|
[BCL]F:45 |
11 |
1 |
1361 |
f |
[RPA]F:43 |
x,y,z |
1_555 |
12 |
1 |
1328 |
90.5 |
1.8 |
0.725 |
0 |
0 |
0 |
0.000 |
Average: |
90.6 |
1.8 |
0.729 |
0 |
0 |
0 |
0.000 |
26 |
76 |
|
[BCL]D:45 |
9 |
1 |
1359 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
3947 |
79.7 |
-1.3 |
0.520 |
0 |
0 |
0 |
0.018 |
77 |
|
[BCL]B:45 |
9 |
1 |
1359 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
3935 |
79.6 |
-1.3 |
0.528 |
0 |
0 |
0 |
0.018 |
78 |
|
[BCL]F:45 |
9 |
1 |
1361 |
◊ |
B |
-y,x-y,z |
2_555 |
11 |
4 |
3941 |
79.5 |
-1.3 |
0.555 |
0 |
0 |
0 |
0.018 |
Average: |
79.6 |
-1.3 |
0.534 |
0 |
0 |
0 |
0.018 |
27 |
79 |
|
[RPA]D:43 |
10 |
1 |
1323 |
◊ |
[BCL]C:55 |
x,y,z |
1_555 |
12 |
1 |
1314 |
78.4 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
80 |
|
[RPA]F:43 |
10 |
1 |
1328 |
◊ |
[BCL]E:55 |
x,y,z |
1_555 |
12 |
1 |
1317 |
78.1 |
0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
81 |
|
[RPA]B:43 |
10 |
1 |
1325 |
◊ |
[BCL]A:55 |
x,y,z |
1_555 |
12 |
1 |
1313 |
77.7 |
0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
Average: |
78.1 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
28 |
82 |
|
[RPA]D:43 |
5 |
1 |
1323 |
◊ |
[BCL]A:55 |
x,y,z |
1_555 |
9 |
1 |
1313 |
62.2 |
0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
83 |
|
[RPA]F:43 |
5 |
1 |
1328 |
◊ |
[BCL]C:55 |
x,y,z |
1_555 |
9 |
1 |
1314 |
61.0 |
0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
84 |
|
[BCL]E:55 |
9 |
1 |
1317 |
◊ |
[RPA]B:43 |
-y,x-y,z |
2_555 |
5 |
1 |
1325 |
60.9 |
0.3 |
0.671 |
0 |
0 |
0 |
0.000 |
Average: |
61.3 |
0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
29 |
85 |
|
D |
9 |
3 |
3935 |
◊ |
D |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
9 |
3 |
3935 |
59.5 |
1.6 |
0.948 |
0 |
0 |
0 |
0.000 |
30 |
86 |
|
E |
7 |
2 |
4269 |
◊ |
E |
y,x,-z |
4_555 |
7 |
2 |
4269 |
55.0 |
0.3 |
0.920 |
0 |
0 |
0 |
0.000 |
87 |
|
C |
7 |
2 |
4272 |
◊ |
A |
x-y,-y,-z |
5_555 |
7 |
2 |
4262 |
54.9 |
0.4 |
0.922 |
0 |
0 |
0 |
0.000 |
Average: |
55.0 |
0.4 |
0.921 |
0 |
0 |
0 |
0.000 |
31 |
88 |
|
[BCL]F:45 |
2 |
1 |
1361 |
◊ |
[BOG]B:44 |
-y,x-y,z |
2_555 |
5 |
1 |
336 |
42.0 |
0.8 |
0.492 |
0 |
0 |
0 |
0.000 |
89 |
|
[BCL]D:45 |
2 |
1 |
1359 |
◊ |
[BOG]F:44 |
x,y,z |
1_555 |
6 |
1 |
336 |
41.9 |
0.8 |
0.495 |
0 |
0 |
0 |
0.000 |
90 |
|
[BCL]B:45 |
2 |
1 |
1359 |
◊ |
[BOG]D:44 |
x,y,z |
1_555 |
5 |
1 |
336 |
41.6 |
0.8 |
0.497 |
0 |
0 |
0 |
0.000 |
Average: |
41.9 |
0.8 |
0.495 |
0 |
0 |
0 |
0.000 |
32 |
91 |
|
B |
6 |
2 |
3941 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
6 |
2 |
3941 |
40.3 |
1.1 |
0.916 |
0 |
0 |
0 |
0.000 |
33 |
92 |
|
[BCL]D:45 |
5 |
1 |
1359 |
◊ |
[RPA]F:43 |
x,y,z |
1_555 |
2 |
1 |
1328 |
34.0 |
-0.7 |
0.390 |
0 |
0 |
0 |
0.022 |
93 |
|
[BCL]F:45 |
5 |
1 |
1361 |
◊ |
[RPA]B:43 |
-y,x-y,z |
2_555 |
2 |
1 |
1325 |
33.9 |
-0.7 |
0.391 |
0 |
0 |
0 |
0.022 |
94 |
|
[BCL]B:45 |
5 |
1 |
1359 |
◊ |
[RPA]D:43 |
x,y,z |
1_555 |
2 |
1 |
1323 |
33.7 |
-0.7 |
0.391 |
0 |
0 |
0 |
0.022 |
Average: |
33.9 |
-0.7 |
0.391 |
0 |
0 |
0 |
0.022 |
34 |
95 |
|
E |
1 |
1 |
4269 |
◊ |
C |
y,x,-z |
4_555 |
1 |
1 |
4272 |
30.5 |
-1.0 |
0.172 |
0 |
0 |
0 |
0.000 |
96 |
|
A |
1 |
1 |
4262 |
◊ |
A |
x-y,-y,-z |
5_555 |
1 |
1 |
4262 |
30.4 |
-1.0 |
0.177 |
0 |
0 |
0 |
0.000 |
Average: |
30.5 |
-1.0 |
0.175 |
0 |
0 |
0 |
0.000 |
35 |
97 |
|
[BCL]A:55 |
4 |
1 |
1313 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4272 |
30.2 |
-0.9 |
0.449 |
0 |
0 |
0 |
0.012 |
98 |
|
[BCL]C:55 |
4 |
1 |
1314 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
4269 |
29.8 |
-0.9 |
0.450 |
0 |
0 |
0 |
0.012 |
99 |
|
[BCL]E:55 |
4 |
1 |
1317 |
◊ |
A |
-y,x-y,z |
2_555 |
3 |
1 |
4262 |
29.6 |
-0.9 |
0.457 |
0 |
0 |
0 |
0.012 |
Average: |
29.9 |
-0.9 |
0.452 |
0 |
0 |
0 |
0.012 |
36 |
100 |
|
[BOG]F:44 |
2 |
1 |
336 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
4269 |
23.2 |
0.1 |
0.891 |
0 |
0 |
0 |
0.000 |
101 |
|
[BOG]D:44 |
2 |
1 |
336 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
4272 |
23.1 |
0.1 |
0.891 |
0 |
0 |
0 |
0.000 |
102 |
|
[BOG]B:44 |
2 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
4262 |
22.9 |
0.1 |
0.874 |
0 |
0 |
0 |
0.000 |
Average: |
23.1 |
0.1 |
0.886 |
0 |
0 |
0 |
0.000 |
37 |
103 |
|
A |
2 |
1 |
4262 |
◊ |
A |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
2 |
1 |
4262 |
21.6 |
0.0 |
0.823 |
0 |
0 |
0 |
0.000 |
38 |
104 |
|
[BOG]D:44 |
3 |
1 |
336 |
◊ |
[BCL]A:55 |
x,y,z |
1_555 |
5 |
1 |
1313 |
20.7 |
1.3 |
0.898 |
0 |
0 |
0 |
0.000 |
105 |
|
[BCL]E:55 |
5 |
1 |
1317 |
◊ |
[BOG]B:44 |
-y,x-y,z |
2_555 |
3 |
1 |
336 |
20.6 |
1.3 |
0.896 |
0 |
0 |
0 |
0.000 |
106 |
|
[BOG]F:44 |
3 |
1 |
336 |
◊ |
[BCL]C:55 |
x,y,z |
1_555 |
5 |
1 |
1314 |
20.2 |
1.3 |
0.897 |
0 |
0 |
0 |
0.000 |
Average: |
20.5 |
1.3 |
0.897 |
0 |
0 |
0 |
0.000 |
39 |
107 |
|
E |
2 |
1 |
4269 |
◊ |
A |
x-y,-y,-z |
5_555 |
2 |
1 |
4262 |
19.9 |
0.5 |
0.925 |
0 |
0 |
0 |
0.000 |
108 |
|
C |
3 |
1 |
4272 |
◊ |
C |
x-y,-y,-z |
5_555 |
3 |
1 |
4272 |
19.9 |
0.5 |
0.918 |
0 |
0 |
0 |
0.000 |
Average: |
19.9 |
0.5 |
0.921 |
0 |
0 |
0 |
0.000 |
40 |
109 |
|
[RPA]D:43 |
3 |
1 |
1323 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
3941 |
16.1 |
-0.7 |
0.439 |
0 |
0 |
0 |
0.010 |
110 |
|
[RPA]F:43 |
3 |
1 |
1328 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
3935 |
15.9 |
-0.7 |
0.438 |
0 |
0 |
0 |
0.010 |
111 |
|
F |
5 |
2 |
3947 |
◊ |
[RPA]B:43 |
-y,x-y,z |
2_555 |
3 |
1 |
1325 |
15.8 |
-0.7 |
0.435 |
0 |
0 |
0 |
0.010 |
Average: |
15.9 |
-0.7 |
0.437 |
0 |
0 |
0 |
0.010 |
41 |
112 |
|
F |
2 |
1 |
3947 |
◊ |
B |
-y,x-y,z |
2_555 |
1 |
1 |
3941 |
8.1 |
-0.3 |
0.473 |
0 |
0 |
0 |
0.003 |
113 |
|
F |
1 |
1 |
3947 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
3935 |
7.7 |
-0.2 |
0.486 |
0 |
0 |
0 |
0.003 |
114 |
|
D |
1 |
1 |
3935 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3941 |
7.7 |
-0.2 |
0.479 |
0 |
0 |
0 |
0.003 |
Average: |
7.8 |
-0.3 |
0.479 |
0 |
0 |
0 |
0.003 |
42 |
115 |
|
B |
1 |
1 |
3941 |
◊ |
A |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
1 |
1 |
4262 |
5.6 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
43 |
116 |
|
[BCL]F:45 |
1 |
1 |
1361 |
◊ |
[RPA]D:43 |
x,y,z |
1_555 |
1 |
1 |
1323 |
2.1 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
117 |
|
[RPA]F:43 |
1 |
1 |
1328 |
◊ |
[BCL]B:45 |
-y,x-y,z |
2_555 |
1 |
1 |
1359 |
2.0 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
118 |
|
[BCL]D:45 |
1 |
1 |
1359 |
◊ |
[RPA]B:43 |
x,y,z |
1_555 |
1 |
1 |
1325 |
2.0 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
2.0 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
44 |
119 |
|
[BCL]C:54 |
2 |
1 |
1356 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3941 |
2.1 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
120 |
|
F |
1 |
1 |
3947 |
◊ |
[BCL]A:54 |
-y,x-y,z |
2_555 |
2 |
1 |
1355 |
2.0 |
0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
121 |
|
[BCL]E:54 |
2 |
1 |
1351 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
3935 |
2.0 |
0.0 |
0.765 |
0 |
0 |
0 |
0.000 |
Average: |
2.0 |
0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
45 |
122 |
|
[BCL]E:55 |
1 |
1 |
1317 |
◊ |
[BCL]E:54 |
x,y,z |
1_555 |
1 |
1 |
1351 |
1.1 |
-0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
123 |
|
[BCL]A:55 |
1 |
1 |
1313 |
◊ |
[BCL]A:54 |
x,y,z |
1_555 |
1 |
1 |
1355 |
1.0 |
-0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
124 |
|
[BCL]C:55 |
1 |
1 |
1314 |
◊ |
[BCL]C:54 |
x,y,z |
1_555 |
1 |
1 |
1356 |
1.0 |
-0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
Average: |
1.0 |
-0.0 |
0.702 |
0 |
0 |
0 |
0.000 |
|