| ## |
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 |
|
C |
85 |
23 |
6373 |
◊ |
B |
x,y,z |
1_555 |
83 |
23 |
6411 |
679.2 |
-10.7 |
0.143 |
1 |
0 |
0 |
0.100 |
2 |
|
D |
82 |
22 |
6437 |
◊ |
A |
x,y,z |
1_555 |
81 |
22 |
6315 |
676.2 |
-12.1 |
0.107 |
0 |
0 |
0 |
0.100 |
| Average: |
677.7 |
-11.4 |
0.125 |
1 |
0 |
0 |
0.100 |
| 2 |
3 |
|
[HEM]D:150 |
43 |
1 |
848 |
cf |
D |
x,y,z |
1_555 |
79 |
23 |
6437 |
555.7 |
-20.3 |
0.376 |
0 |
0 |
0 |
0.370 |
4 |
|
[HEM]A:150 |
43 |
1 |
797 |
cf |
A |
x,y,z |
1_555 |
74 |
22 |
6315 |
536.4 |
-19.3 |
0.331 |
0 |
0 |
0 |
0.370 |
5 |
|
[HEM]C:150 |
42 |
1 |
827 |
cf |
C |
x,y,z |
1_555 |
74 |
21 |
6373 |
531.8 |
-19.2 |
0.354 |
0 |
0 |
0 |
0.370 |
6 |
|
[HEM]B:150 |
43 |
1 |
818 |
cf |
B |
x,y,z |
1_555 |
75 |
21 |
6411 |
506.8 |
-17.9 |
0.388 |
0 |
0 |
0 |
0.370 |
| Average: |
532.7 |
-19.2 |
0.362 |
0 |
0 |
0 |
0.370 |
| 3 |
7 |
|
B |
51 |
16 |
6411 |
◊ |
A |
x,y,z |
1_555 |
46 |
16 |
6315 |
432.4 |
-1.9 |
0.601 |
3 |
4 |
0 |
0.026 |
8 |
|
D |
47 |
15 |
6437 |
◊ |
C |
x,y,z |
1_555 |
49 |
16 |
6373 |
413.9 |
-2.5 |
0.540 |
2 |
4 |
0 |
0.026 |
| Average: |
423.2 |
-2.2 |
0.570 |
3 |
4 |
0 |
0.026 |
| 4 |
9 |
|
D |
28 |
7 |
6437 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
6411 |
235.4 |
-0.0 |
0.674 |
8 |
7 |
0 |
0.045 |
10 |
|
C |
27 |
7 |
6373 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
6315 |
222.7 |
0.2 |
0.730 |
8 |
6 |
0 |
0.045 |
| Average: |
229.0 |
0.1 |
0.702 |
8 |
7 |
0 |
0.045 |
| 5 |
11 |
|
C |
22 |
5 |
6373 |
◊ |
B |
x-y+1,x+1,z+1/6 |
6_665 |
25 |
5 |
6411 |
204.4 |
2.6 |
0.877 |
3 |
0 |
0 |
0.000 |
12 |
|
D |
23 |
4 |
6437 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
22 |
5 |
6315 |
193.8 |
1.9 |
0.852 |
3 |
0 |
0 |
0.000 |
| Average: |
199.1 |
2.3 |
0.864 |
3 |
0 |
0 |
0.000 |
| 6 |
13 |
|
D |
16 |
4 |
6437 |
◊ |
C |
x,y-1,z |
1_545 |
15 |
5 |
6373 |
120.0 |
0.4 |
0.698 |
2 |
2 |
0 |
0.005 |
14 |
|
A |
15 |
5 |
6315 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
4 |
6411 |
117.1 |
0.5 |
0.727 |
2 |
2 |
0 |
0.005 |
| Average: |
118.5 |
0.4 |
0.712 |
2 |
2 |
0 |
0.005 |
| 7 |
15 |
|
A |
13 |
5 |
6315 |
◊ |
B |
x-1,y-1,z |
1_445 |
14 |
3 |
6411 |
92.1 |
0.5 |
0.715 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
12 |
5 |
6373 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
3 |
6437 |
75.4 |
0.5 |
0.722 |
1 |
0 |
0 |
0.000 |
| Average: |
83.7 |
0.5 |
0.718 |
1 |
0 |
0 |
0.000 |
| 8 |
17 |
|
C |
8 |
4 |
6373 |
◊ |
A |
x-y,x+1,z+1/6 |
6_565 |
12 |
6 |
6315 |
88.5 |
0.6 |
0.758 |
0 |
0 |
0 |
0.000 |
| 9 |
18 |
|
[ME7]B:501 |
7 |
1 |
367 |
c |
B |
x,y,z |
1_555 |
7 |
4 |
6411 |
81.7 |
-2.2 |
0.257 |
0 |
0 |
0 |
0.021 |
| 10 |
19 |
|
C |
11 |
4 |
6373 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
11 |
4 |
6411 |
81.6 |
0.0 |
0.633 |
0 |
1 |
0 |
0.000 |
20 |
|
D |
9 |
3 |
6437 |
◊ |
A |
x-y+1,x+1,z+1/6 |
6_665 |
11 |
4 |
6315 |
76.7 |
0.3 |
0.704 |
0 |
1 |
0 |
0.000 |
| Average: |
79.2 |
0.2 |
0.668 |
0 |
1 |
0 |
0.000 |
| 11 |
21 |
|
[ME7]A:501 |
6 |
1 |
356 |
c |
C |
x,y,z |
1_555 |
7 |
4 |
6373 |
74.0 |
-2.3 |
0.193 |
0 |
0 |
0 |
0.020 |
| 12 |
22 |
|
[ME7]B:501 |
5 |
1 |
367 |
cf |
D |
x,y,z |
1_555 |
6 |
3 |
6437 |
69.9 |
-2.5 |
0.151 |
0 |
0 |
0 |
0.024 |
| 13 |
23 |
|
D |
8 |
5 |
6437 |
◊ |
[ME7]B:501 |
x-1,y-1,z |
1_445 |
8 |
1 |
367 |
68.2 |
-0.3 |
0.701 |
0 |
0 |
0 |
0.000 |
| 14 |
24 |
|
D |
11 |
6 |
6437 |
◊ |
B |
x,y-1,z |
1_545 |
10 |
4 |
6411 |
67.1 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[ME7]A:501 |
5 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
6 |
4 |
6315 |
66.8 |
-2.4 |
0.166 |
0 |
0 |
0 |
0.020 |
| 16 |
26 |
|
D |
5 |
3 |
6437 |
◊ |
C |
x-1,y-1,z |
1_445 |
8 |
4 |
6373 |
60.0 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
5 |
3 |
6411 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
6315 |
42.9 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
| Average: |
51.4 |
-0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[CU]C:110 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
6373 |
51.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.128 |
29 |
|
[CU]A:107 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
6315 |
51.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
51.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.128 |
| 18 |
30 |
|
D |
6 |
2 |
6437 |
◊ |
B |
x-1,y-1,z |
1_445 |
4 |
4 |
6411 |
44.4 |
-0.7 |
0.397 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
5 |
2 |
6411 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
3 |
6437 |
40.0 |
-0.4 |
0.431 |
0 |
0 |
0 |
0.000 |
| Average: |
42.2 |
-0.5 |
0.414 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
[HEM]C:150 |
5 |
1 |
827 |
◊ |
[HEM]B:150 |
x-y+1,x+1,z+1/6 |
6_665 |
5 |
1 |
818 |
44.3 |
-4.0 |
0.521 |
0 |
0 |
0 |
0.019 |
33 |
|
[HEM]D:150 |
2 |
1 |
848 |
◊ |
[HEM]A:150 |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
797 |
17.8 |
-1.7 |
0.576 |
0 |
0 |
0 |
0.019 |
| Average: |
31.1 |
-2.9 |
0.548 |
0 |
0 |
0 |
0.019 |
| 20 |
34 |
|
B |
7 |
3 |
6411 |
◊ |
[ME7]B:501 |
x-1,y,z |
1_455 |
4 |
1 |
367 |
43.2 |
-0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[CU]A:107 |
1 |
1 |
125 |
◊ |
B |
x,y-1,z |
1_545 |
9 |
3 |
6411 |
41.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.059 |
36 |
|
D |
8 |
3 |
6437 |
◊ |
[CU]C:110 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
40.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.059 |
37 |
|
[CU]A:110 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6315 |
34.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.059 |
38 |
|
[CU]C:109 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
6373 |
34.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.059 |
39 |
|
[CU]A:108 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6315 |
30.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
36.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| 22 |
40 |
|
C |
5 |
2 |
6373 |
◊ |
[ZN]A:111 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
98 |
37.3 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.302 |
41 |
|
[ZN]A:111 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
6315 |
36.3 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.302 |
| Average: |
36.8 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.302 |
| 23 |
42 |
|
[CU]C:108 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
6373 |
32.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 24 |
43 |
|
[CU]C:107 |
1 |
1 |
125 |
◊ |
[HEM]A:150 |
x-y,x+1,z+1/6 |
6_565 |
4 |
1 |
797 |
31.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.075 |
44 |
|
[CU]A:108 |
1 |
1 |
125 |
◊ |
[HEM]B:150 |
x,y-1,z |
1_545 |
6 |
1 |
818 |
30.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.075 |
45 |
|
[HEM]D:150 |
6 |
1 |
848 |
◊ |
[CU]C:108 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
30.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.075 |
46 |
|
[HEM]C:150 |
3 |
1 |
827 |
◊ |
[CU]A:109 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
125 |
28.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.075 |
47 |
|
[CU]A:110 |
1 |
1 |
125 |
◊ |
[HEM]B:150 |
x,y-1,z |
1_545 |
3 |
1 |
818 |
23.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.075 |
48 |
|
[CU]C:109 |
1 |
1 |
125 |
◊ |
[HEM]A:150 |
x-y,x+1,z+1/6 |
6_565 |
3 |
1 |
797 |
18.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.075 |
49 |
|
[HEM]C:150 |
3 |
1 |
827 |
◊ |
[CU]A:110 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
125 |
12.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.075 |
| Average: |
25.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.075 |
| 25 |
50 |
|
[ZN]D:500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
6437 |
31.6 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.324 |
51 |
|
[ZN]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6411 |
31.1 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.324 |
52 |
|
[ZN]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
6315 |
30.8 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.324 |
53 |
|
[ZN]C:500 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
6373 |
30.8 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.324 |
| Average: |
31.1 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.324 |
| 26 |
54 |
|
[HEM]D:150 |
3 |
1 |
848 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
2 |
6373 |
29.2 |
-1.5 |
0.501 |
0 |
0 |
0 |
0.008 |
55 |
|
A |
5 |
2 |
6315 |
◊ |
[HEM]B:150 |
x,y-1,z |
1_545 |
6 |
1 |
818 |
22.4 |
-0.9 |
0.820 |
0 |
0 |
0 |
0.008 |
| Average: |
25.8 |
-1.2 |
0.661 |
0 |
0 |
0 |
0.008 |
| 27 |
56 |
|
[HEM]C:150 |
5 |
1 |
827 |
◊ |
B |
x-y+1,x+1,z+1/6 |
6_665 |
5 |
2 |
6411 |
29.0 |
-0.3 |
0.863 |
0 |
0 |
0 |
0.000 |
57 |
|
D |
1 |
1 |
6437 |
◊ |
[HEM]A:150 |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
797 |
23.9 |
0.2 |
0.871 |
0 |
0 |
0 |
0.000 |
| Average: |
26.4 |
-0.1 |
0.867 |
0 |
0 |
0 |
0.000 |
| 28 |
58 |
|
[CU]C:107 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6373 |
28.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.016 |
59 |
|
[CU]A:109 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6315 |
26.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
27.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| 29 |
60 |
|
[ZN]D:500 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6315 |
28.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.202 |
61 |
|
[ZN]A:500 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6437 |
27.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.202 |
62 |
|
[ZN]C:500 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6411 |
26.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.202 |
63 |
|
[ZN]B:500 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
6373 |
26.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.202 |
| Average: |
27.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.202 |
| 30 |
64 |
|
[ZN]B:500 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6437 |
27.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.216 |
65 |
|
[ZN]C:500 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6315 |
26.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.216 |
66 |
|
[ZN]A:500 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
6373 |
26.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.216 |
67 |
|
[ZN]D:500 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
6411 |
25.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.216 |
| Average: |
26.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.216 |
| 31 |
68 |
|
D |
5 |
1 |
6437 |
◊ |
[CU]C:108 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
25.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.029 |
69 |
|
[CU]A:108 |
1 |
1 |
125 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
1 |
6411 |
21.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
70 |
|
C |
3 |
1 |
6373 |
◊ |
[CU]A:110 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
125 |
20.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
71 |
|
C |
4 |
2 |
6373 |
◊ |
[CU]A:109 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
125 |
19.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.029 |
72 |
|
[CU]C:109 |
1 |
1 |
125 |
◊ |
A |
x-y,x+1,z+1/6 |
6_565 |
3 |
1 |
6315 |
17.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
73 |
|
[CU]C:107 |
1 |
1 |
125 |
◊ |
A |
x-y,x+1,z+1/6 |
6_565 |
5 |
1 |
6315 |
12.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
19.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.029 |
| 32 |
74 |
|
[HEM]D:150 |
3 |
1 |
848 |
◊ |
[CU]C:109 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
24.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 33 |
75 |
|
[CU]C:109 |
1 |
1 |
125 |
f |
[CU]C:107 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.038 |
| 34 |
76 |
|
[CU]A:110 |
1 |
1 |
125 |
f |
[CU]A:109 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| 35 |
77 |
|
[CU]A:109 |
1 |
1 |
125 |
◊ |
[HEM]B:150 |
x,y-1,z |
1_545 |
3 |
1 |
818 |
20.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.025 |
78 |
|
[HEM]C:150 |
3 |
1 |
827 |
◊ |
[CU]A:108 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
125 |
15.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.025 |
79 |
|
[HEM]D:150 |
3 |
1 |
848 |
◊ |
[CU]C:107 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
13.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.025 |
80 |
|
[CU]C:108 |
1 |
1 |
125 |
◊ |
[HEM]A:150 |
x-y,x+1,z+1/6 |
6_565 |
2 |
1 |
797 |
9.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
14.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| 36 |
81 |
|
[CU]A:110 |
1 |
1 |
125 |
f |
[CU]A:108 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.034 |
| 37 |
82 |
|
[CU]C:108 |
1 |
1 |
125 |
f |
[CU]C:107 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
| 38 |
83 |
|
[CU]C:109 |
1 |
1 |
125 |
f |
[CU]C:108 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.030 |
| 39 |
84 |
|
[CU]A:109 |
1 |
1 |
125 |
f |
[CU]A:108 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.029 |
| 40 |
85 |
|
B |
2 |
1 |
6411 |
x |
B |
x-1,y,z |
1_455 |
4 |
2 |
6411 |
16.0 |
-0.4 |
0.364 |
0 |
0 |
0 |
0.000 |
86 |
|
D |
2 |
2 |
6437 |
x |
D |
x-1,y-1,z |
1_445 |
2 |
2 |
6437 |
2.7 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
| Average: |
9.3 |
-0.2 |
0.501 |
0 |
0 |
0 |
0.000 |
| 41 |
87 |
|
C |
3 |
1 |
6373 |
◊ |
[HEM]B:150 |
x-y+1,x+1,z+1/6 |
6_665 |
3 |
1 |
818 |
15.6 |
-0.7 |
0.661 |
0 |
0 |
0 |
0.004 |
88 |
|
[HEM]D:150 |
1 |
1 |
848 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
6315 |
11.9 |
-0.5 |
0.443 |
0 |
0 |
0 |
0.004 |
| Average: |
13.8 |
-0.6 |
0.552 |
0 |
0 |
0 |
0.004 |
| 42 |
89 |
|
C |
1 |
1 |
6373 |
x |
C |
x-1,y-1,z |
1_445 |
2 |
1 |
6373 |
14.6 |
0.7 |
0.844 |
0 |
0 |
0 |
0.000 |
90 |
|
A |
1 |
1 |
6315 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
6315 |
7.7 |
0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
| Average: |
11.2 |
0.4 |
0.680 |
0 |
0 |
0 |
0.000 |
| 43 |
91 |
|
[HEM]C:150 |
3 |
1 |
827 |
◊ |
A |
x-y,x+1,z+1/6 |
6_565 |
3 |
1 |
6315 |
14.4 |
-0.7 |
0.704 |
0 |
0 |
0 |
0.010 |
92 |
|
C |
1 |
1 |
6373 |
◊ |
[HEM]A:150 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
797 |
11.1 |
-0.6 |
0.467 |
0 |
0 |
0 |
0.010 |
| Average: |
12.7 |
-0.6 |
0.586 |
0 |
0 |
0 |
0.010 |
| 44 |
93 |
|
[CU]A:110 |
1 |
1 |
125 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
6411 |
6.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
94 |
|
D |
3 |
1 |
6437 |
◊ |
[CU]C:107 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
6.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
95 |
|
D |
1 |
1 |
6437 |
◊ |
[CU]C:109 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
96 |
|
[CU]A:109 |
1 |
1 |
125 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
6411 |
4.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
97 |
|
C |
1 |
1 |
6373 |
◊ |
[CU]A:108 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
125 |
3.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
5.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
|