| ## |
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 |
|
A |
56 |
20 |
8413 |
◊ |
B |
-y-1/3,x-y-2/3,z-2/3 |
5_444 |
59 |
21 |
8458 |
570.5 |
-10.0 |
0.263 |
1 |
0 |
0 |
0.024 |
| 2 |
2 |
|
[GDP]B:1178 |
25 |
1 |
568 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
8458 |
322.5 |
-7.0 |
0.646 |
14 |
0 |
0 |
0.059 |
3 |
|
[GDP]A:1178 |
25 |
1 |
564 |
f |
A |
x,y,z |
1_555 |
43 |
15 |
8413 |
313.7 |
-6.4 |
0.567 |
13 |
0 |
0 |
0.059 |
| Average: |
318.1 |
-6.7 |
0.606 |
14 |
0 |
0 |
0.059 |
| 3 |
4 |
|
A |
25 |
6 |
8413 |
x |
A |
-y,x-y,z |
2_555 |
31 |
11 |
8413 |
311.6 |
-4.4 |
0.276 |
0 |
0 |
0 |
0.024 |
5 |
|
B |
29 |
11 |
8458 |
x |
B |
-y,x-y-1,z |
2_545 |
25 |
7 |
8458 |
287.9 |
-4.9 |
0.312 |
1 |
0 |
0 |
0.024 |
| Average: |
299.7 |
-4.7 |
0.294 |
1 |
0 |
0 |
0.024 |
| 4 |
6 |
|
[GDP]A:1182 |
22 |
1 |
552 |
f |
A |
x,y,z |
1_555 |
26 |
7 |
8413 |
202.9 |
-2.2 |
0.734 |
2 |
0 |
0 |
0.015 |
| 5 |
7 |
|
B |
18 |
5 |
8458 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
8413 |
187.7 |
-2.7 |
0.436 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
24 |
6 |
8413 |
x |
A |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
18 |
8 |
8413 |
182.0 |
-2.7 |
0.384 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[GDP]B:1180 |
23 |
1 |
530 |
◊ |
B |
x,y,z |
1_555 |
19 |
4 |
8458 |
143.9 |
-1.3 |
0.797 |
2 |
0 |
0 |
0.010 |
10 |
|
[GDP]A:1180 |
21 |
1 |
531 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
8413 |
138.6 |
-1.0 |
0.708 |
2 |
0 |
0 |
0.010 |
| Average: |
141.2 |
-1.1 |
0.753 |
2 |
0 |
0 |
0.010 |
| 8 |
11 |
|
B |
16 |
6 |
8458 |
x |
B |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
22 |
9 |
8458 |
135.8 |
-2.4 |
0.546 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[GDP]B:1179 |
15 |
1 |
559 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
8458 |
129.4 |
-0.9 |
0.580 |
2 |
0 |
0 |
0.009 |
13 |
|
[GDP]A:1179 |
14 |
1 |
563 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
8413 |
123.7 |
-0.9 |
0.516 |
2 |
0 |
0 |
0.009 |
| Average: |
126.6 |
-0.9 |
0.548 |
2 |
0 |
0 |
0.009 |
| 10 |
14 |
|
B |
16 |
6 |
8458 |
◊ |
[GDP]A:1182 |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
15 |
1 |
552 |
104.3 |
-1.9 |
0.680 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[GDP]A:1181 |
18 |
1 |
522 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
8413 |
101.1 |
-2.1 |
0.480 |
0 |
0 |
0 |
0.010 |
16 |
|
[GDP]B:1181 |
20 |
1 |
524 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
8458 |
100.8 |
-2.1 |
0.525 |
0 |
0 |
0 |
0.010 |
| Average: |
100.9 |
-2.1 |
0.502 |
0 |
0 |
0 |
0.010 |
| 12 |
17 |
|
[GDP]B:1181 |
16 |
1 |
524 |
f |
[GDP]B:1180 |
-y,x-y-1,z |
2_545 |
18 |
1 |
530 |
99.6 |
0.2 |
0.875 |
1 |
0 |
0 |
0.004 |
18 |
|
[GDP]A:1180 |
18 |
1 |
531 |
f |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
15 |
1 |
522 |
96.4 |
0.1 |
0.849 |
2 |
0 |
0 |
0.004 |
| Average: |
98.0 |
0.1 |
0.862 |
2 |
0 |
0 |
0.004 |
| 13 |
19 |
|
[GDP]A:1180 |
10 |
1 |
531 |
f |
[GDP]A:1179 |
x,y,z |
1_555 |
9 |
1 |
563 |
96.5 |
-5.8 |
0.360 |
0 |
0 |
0 |
0.028 |
20 |
|
[GDP]B:1180 |
11 |
1 |
530 |
f |
[GDP]B:1179 |
x,y,z |
1_555 |
11 |
1 |
559 |
96.4 |
-5.8 |
0.432 |
0 |
0 |
0 |
0.028 |
| Average: |
96.5 |
-5.8 |
0.396 |
0 |
0 |
0 |
0.028 |
| 14 |
21 |
|
[GDP]A:1182 |
8 |
1 |
552 |
◊ |
A |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
9 |
5 |
8413 |
75.8 |
0.8 |
0.737 |
2 |
0 |
0 |
0.000 |
| 15 |
22 |
|
B |
3 |
3 |
8458 |
◊ |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
11 |
3 |
8413 |
62.5 |
-0.9 |
0.228 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
A |
5 |
2 |
8413 |
◊ |
[GDP]A:1178 |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
7 |
1 |
564 |
58.2 |
0.6 |
0.761 |
2 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[GDP]B:1181 |
11 |
1 |
524 |
fx |
[GDP]B:1181 |
-y,x-y-1,z |
2_545 |
7 |
1 |
524 |
55.6 |
-4.2 |
0.272 |
0 |
0 |
0 |
0.020 |
25 |
|
[GDP]A:1181 |
7 |
1 |
522 |
fx |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
10 |
1 |
522 |
54.8 |
-4.1 |
0.271 |
0 |
0 |
0 |
0.020 |
| Average: |
55.2 |
-4.1 |
0.272 |
0 |
0 |
0 |
0.020 |
| 18 |
26 |
|
[MG]B:1189 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8458 |
44.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
|
[MG]A:1190 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8413 |
44.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
44.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.026 |
| 19 |
28 |
|
[SO4]B:1188 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
8458 |
40.2 |
-5.5 |
0.404 |
1 |
0 |
0 |
0.027 |
| 20 |
29 |
|
[GDP]B:1181 |
7 |
1 |
524 |
f |
[GDP]B:1180 |
x,y,z |
1_555 |
5 |
1 |
530 |
39.8 |
-1.2 |
0.543 |
2 |
0 |
0 |
0.010 |
30 |
|
[GDP]A:1181 |
6 |
1 |
522 |
f |
[GDP]A:1180 |
x,y,z |
1_555 |
5 |
1 |
531 |
38.2 |
-1.1 |
0.509 |
2 |
0 |
0 |
0.010 |
| Average: |
39.0 |
-1.1 |
0.526 |
2 |
0 |
0 |
0.010 |
| 21 |
31 |
|
[SO4]A:1188 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
8413 |
38.3 |
-5.1 |
0.388 |
1 |
0 |
0 |
0.027 |
| 22 |
32 |
|
[GDP]A:1179 |
4 |
1 |
563 |
f |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
5 |
1 |
522 |
36.3 |
-1.8 |
0.458 |
2 |
0 |
0 |
0.013 |
33 |
|
[GDP]B:1181 |
4 |
1 |
524 |
f |
[GDP]B:1179 |
-y,x-y-1,z |
2_545 |
3 |
1 |
559 |
36.3 |
-1.9 |
0.372 |
2 |
0 |
0 |
0.013 |
| Average: |
36.3 |
-1.9 |
0.415 |
2 |
0 |
0 |
0.013 |
| 23 |
34 |
|
[MG]B:1189 |
1 |
1 |
98 |
f |
[GDP]B:1178 |
x,y,z |
1_555 |
4 |
1 |
568 |
34.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.026 |
35 |
|
[MG]A:1190 |
1 |
1 |
98 |
f |
[GDP]A:1178 |
x,y,z |
1_555 |
4 |
1 |
564 |
34.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
34.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.026 |
| 24 |
36 |
|
[MG]B:1190 |
1 |
1 |
98 |
f |
[GDP]B:1179 |
x,y,z |
1_555 |
4 |
1 |
559 |
34.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.052 |
37 |
|
[MG]A:1191 |
1 |
1 |
98 |
f |
[GDP]A:1179 |
x,y,z |
1_555 |
3 |
1 |
563 |
34.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.052 |
38 |
|
[MG]B:1190 |
1 |
1 |
98 |
f |
[GDP]B:1180 |
x,y,z |
1_555 |
6 |
1 |
530 |
32.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.052 |
39 |
|
[MG]A:1191 |
1 |
1 |
98 |
f |
[GDP]A:1180 |
x,y,z |
1_555 |
5 |
1 |
531 |
32.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
33.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.052 |
| 25 |
40 |
|
[CA]A:1187 |
1 |
1 |
85 |
fx |
[GDP]A:1181 |
x,y,z |
1_555 |
5 |
1 |
522 |
33.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.090 |
41 |
|
[CA]B:1186 |
1 |
1 |
85 |
fx |
[GDP]B:1181 |
x,y,z |
1_555 |
5 |
1 |
524 |
28.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
31.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.090 |
| 26 |
42 |
|
[CA]B:1186 |
1 |
1 |
85 |
fx |
[CA]B:1186 |
-y,x-y-1,z |
2_545 |
1 |
1 |
85 |
31.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.042 |
| 27 |
43 |
|
[SO4]A:1189 |
5 |
1 |
188 |
f |
[GDP]A:1181 |
x,y,z |
1_555 |
7 |
1 |
522 |
30.2 |
-3.9 |
0.741 |
0 |
0 |
0 |
0.019 |
| 28 |
44 |
|
B |
6 |
4 |
8458 |
◊ |
[GDP]B:1180 |
-y,x-y-1,z |
2_545 |
5 |
1 |
530 |
30.0 |
-1.0 |
0.616 |
0 |
0 |
0 |
0.004 |
45 |
|
[GDP]A:1180 |
4 |
1 |
531 |
◊ |
A |
-y,x-y,z |
2_555 |
6 |
4 |
8413 |
23.4 |
-0.8 |
0.576 |
0 |
0 |
0 |
0.004 |
| Average: |
26.7 |
-0.9 |
0.596 |
0 |
0 |
0 |
0.004 |
| 29 |
46 |
|
[SO4]B:1187 |
5 |
1 |
187 |
f |
[GDP]B:1181 |
x,y,z |
1_555 |
6 |
1 |
524 |
29.5 |
-3.9 |
0.712 |
0 |
0 |
0 |
0.017 |
| 30 |
47 |
|
[MG]A:1192 |
1 |
1 |
98 |
f |
[GDP]A:1180 |
x,y,z |
1_555 |
3 |
1 |
531 |
27.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 31 |
48 |
|
[CA]A:1183 |
1 |
1 |
85 |
◊ |
[GDP]A:1179 |
x,y,z |
1_555 |
3 |
1 |
563 |
27.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.040 |
49 |
|
[CA]B:1184 |
1 |
1 |
85 |
◊ |
[GDP]B:1179 |
x,y,z |
1_555 |
5 |
1 |
559 |
26.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.040 |
50 |
|
[GDP]B:1181 |
6 |
1 |
524 |
◊ |
[CA]B:1183 |
-y,x-y-1,z |
2_545 |
1 |
1 |
85 |
19.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.040 |
51 |
|
[CA]A:1185 |
1 |
1 |
85 |
◊ |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
6 |
1 |
522 |
18.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
23.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.040 |
| 32 |
52 |
|
[CA]A:1184 |
1 |
1 |
85 |
f |
[GDP]A:1179 |
x,y,z |
1_555 |
8 |
1 |
563 |
26.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.063 |
53 |
|
[CA]B:1185 |
1 |
1 |
85 |
f |
[GDP]B:1179 |
x,y,z |
1_555 |
9 |
1 |
559 |
25.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.063 |
54 |
|
[CA]B:1185 |
1 |
1 |
85 |
f |
[GDP]B:1180 |
x,y,z |
1_555 |
4 |
1 |
530 |
23.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.063 |
55 |
|
[CA]A:1184 |
1 |
1 |
85 |
f |
[GDP]A:1180 |
x,y,z |
1_555 |
5 |
1 |
531 |
23.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.063 |
56 |
|
[CA]A:1186 |
1 |
1 |
85 |
f |
[GDP]A:1181 |
x,y,z |
1_555 |
7 |
1 |
522 |
19.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.063 |
57 |
|
[CA]B:1182 |
1 |
1 |
85 |
f |
[GDP]B:1181 |
x,y,z |
1_555 |
7 |
1 |
524 |
19.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
22.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.063 |
| 33 |
58 |
|
[SO4]B:1188 |
4 |
1 |
186 |
◊ |
[GDP]B:1180 |
x,y,z |
1_555 |
5 |
1 |
530 |
25.5 |
-2.5 |
0.864 |
2 |
0 |
0 |
0.015 |
| 34 |
59 |
|
[SO4]A:1188 |
4 |
1 |
187 |
◊ |
[GDP]A:1180 |
x,y,z |
1_555 |
5 |
1 |
531 |
25.4 |
-2.4 |
0.853 |
1 |
0 |
0 |
0.014 |
| 35 |
60 |
|
[CA]B:1184 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
8458 |
25.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.022 |
61 |
|
[CA]A:1183 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
8413 |
24.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
24.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| 36 |
62 |
|
[CA]B:1184 |
1 |
1 |
85 |
◊ |
[GDP]B:1180 |
x,y,z |
1_555 |
4 |
1 |
530 |
23.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.023 |
63 |
|
[CA]A:1183 |
1 |
1 |
85 |
◊ |
[GDP]A:1180 |
x,y,z |
1_555 |
4 |
1 |
531 |
23.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
23.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 37 |
64 |
|
[SO4]B:1188 |
4 |
1 |
186 |
◊ |
[GDP]B:1181 |
x,y,z |
1_555 |
3 |
1 |
524 |
23.6 |
-3.6 |
0.511 |
0 |
0 |
0 |
0.016 |
| 38 |
65 |
|
[SO4]A:1188 |
4 |
1 |
187 |
◊ |
[GDP]A:1181 |
x,y,z |
1_555 |
3 |
1 |
522 |
23.5 |
-3.6 |
0.501 |
0 |
0 |
0 |
0.017 |
| 39 |
66 |
|
[CA]B:1182 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8458 |
23.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.019 |
67 |
|
[CA]A:1186 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8413 |
23.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
23.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 40 |
68 |
|
[CA]B:1185 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8458 |
22.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.016 |
69 |
|
[CA]A:1184 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8413 |
21.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
21.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| 41 |
70 |
|
[SO4]B:1188 |
3 |
1 |
186 |
◊ |
[SO4]B:1187 |
x,y,z |
1_555 |
4 |
1 |
187 |
20.2 |
-4.5 |
0.995 |
0 |
0 |
0 |
0.020 |
| 42 |
71 |
|
[SO4]A:1189 |
4 |
1 |
188 |
◊ |
[SO4]A:1188 |
x,y,z |
1_555 |
3 |
1 |
187 |
19.9 |
-4.5 |
0.995 |
0 |
0 |
0 |
0.022 |
| 43 |
72 |
|
[MG]A:1192 |
1 |
1 |
98 |
f |
[GDP]A:1179 |
x,y,z |
1_555 |
4 |
1 |
563 |
19.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 44 |
73 |
|
[SO4]B:1188 |
3 |
1 |
186 |
f |
[CA]B:1191 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.023 |
74 |
|
[SO4]A:1189 |
3 |
1 |
188 |
f |
[CA]A:1186 |
x,y,z |
1_555 |
1 |
1 |
85 |
15.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
17.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| 45 |
75 |
|
[SO4]A:1188 |
3 |
1 |
187 |
f |
[CA]A:1193 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.025 |
76 |
|
[SO4]B:1187 |
4 |
1 |
187 |
f |
[CA]B:1182 |
x,y,z |
1_555 |
1 |
1 |
85 |
15.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
17.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.025 |
| 46 |
77 |
|
[SO4]A:1189 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8413 |
19.0 |
-2.1 |
0.489 |
1 |
0 |
0 |
0.012 |
| 47 |
78 |
|
[CA]A:1193 |
1 |
1 |
85 |
◊ |
[SO4]A:1189 |
-y,x-y,z |
2_555 |
4 |
1 |
188 |
18.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.024 |
79 |
|
[SO4]B:1187 |
4 |
1 |
187 |
◊ |
[CA]B:1183 |
-y,x-y-1,z |
2_545 |
1 |
1 |
85 |
13.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
15.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 48 |
80 |
|
[SO4]B:1187 |
3 |
1 |
187 |
◊ |
[CA]B:1191 |
-y,x-y-1,z |
2_545 |
1 |
1 |
85 |
18.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.041 |
81 |
|
[SO4]A:1188 |
3 |
1 |
187 |
◊ |
[CA]A:1186 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.041 |
82 |
|
[CA]A:1185 |
1 |
1 |
85 |
◊ |
[SO4]A:1189 |
-y,x-y,z |
2_555 |
4 |
1 |
188 |
13.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
16.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.041 |
| 49 |
83 |
|
[SO4]B:1188 |
3 |
1 |
186 |
◊ |
[CA]B:1182 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.027 |
84 |
|
[SO4]B:1187 |
3 |
1 |
187 |
◊ |
[CA]B:1183 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
11.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.027 |
| 50 |
85 |
|
[SO4]B:1187 |
4 |
1 |
187 |
fx |
[SO4]B:1187 |
-y,x-y-1,z |
2_545 |
3 |
1 |
187 |
17.8 |
-3.9 |
0.995 |
0 |
0 |
0 |
0.018 |
| 51 |
86 |
|
[SO4]B:1187 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8458 |
17.5 |
-2.0 |
0.505 |
1 |
0 |
0 |
0.011 |
| 52 |
87 |
|
[SO4]B:1187 |
3 |
1 |
187 |
◊ |
[CA]B:1191 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.030 |
88 |
|
[SO4]B:1188 |
3 |
1 |
186 |
◊ |
[CA]B:1183 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
12.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.030 |
| 53 |
89 |
|
[SO4]A:1189 |
3 |
1 |
188 |
◊ |
[CA]A:1193 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.032 |
90 |
|
[SO4]A:1188 |
3 |
1 |
187 |
◊ |
[CA]A:1185 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
12.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.032 |
| 54 |
91 |
|
[SO4]A:1189 |
3 |
1 |
188 |
fx |
[SO4]A:1189 |
-y,x-y,z |
2_555 |
4 |
1 |
188 |
16.7 |
-3.7 |
0.995 |
0 |
0 |
0 |
0.018 |
| 55 |
92 |
|
[CA]B:1183 |
1 |
1 |
85 |
◊ |
[GDP]B:1181 |
x,y,z |
1_555 |
3 |
1 |
524 |
16.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.016 |
93 |
|
[CA]A:1185 |
1 |
1 |
85 |
◊ |
[GDP]A:1181 |
x,y,z |
1_555 |
4 |
1 |
522 |
16.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
16.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| 56 |
94 |
|
[SO4]B:1187 |
3 |
1 |
187 |
◊ |
[SO4]B:1188 |
-y,x-y-1,z |
2_545 |
1 |
1 |
186 |
15.5 |
-3.7 |
0.891 |
0 |
0 |
0 |
0.016 |
| 57 |
95 |
|
[SO4]A:1188 |
1 |
1 |
187 |
◊ |
[SO4]A:1189 |
-y,x-y,z |
2_555 |
3 |
1 |
188 |
15.3 |
-3.6 |
0.891 |
0 |
0 |
0 |
0.018 |
| 58 |
96 |
|
[GDP]A:1179 |
3 |
1 |
563 |
◊ |
A |
-y,x-y,z |
2_555 |
4 |
1 |
8413 |
15.2 |
-0.8 |
0.579 |
0 |
0 |
0 |
0.004 |
97 |
|
B |
4 |
1 |
8458 |
◊ |
[GDP]B:1179 |
-y,x-y-1,z |
2_545 |
2 |
1 |
559 |
14.6 |
-0.8 |
0.533 |
0 |
0 |
0 |
0.004 |
| Average: |
14.9 |
-0.8 |
0.556 |
0 |
0 |
0 |
0.004 |
| 59 |
98 |
|
[SO4]B:1187 |
3 |
1 |
187 |
f |
[GDP]B:1181 |
-y,x-y-1,z |
2_545 |
3 |
1 |
524 |
15.2 |
-2.4 |
0.611 |
0 |
0 |
0 |
0.011 |
| 60 |
99 |
|
[MG]A:1192 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8413 |
15.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 61 |
100 |
|
A |
7 |
3 |
8413 |
◊ |
[GDP]B:1179 |
-y,x-y-1,z |
2_545 |
2 |
1 |
559 |
14.9 |
-0.7 |
0.541 |
0 |
0 |
0 |
0.000 |
| 62 |
101 |
|
[GDP]A:1181 |
3 |
1 |
522 |
f |
[SO4]A:1189 |
-y,x-y,z |
2_555 |
2 |
1 |
188 |
14.8 |
-2.4 |
0.600 |
0 |
0 |
0 |
0.012 |
| 63 |
102 |
|
[GDP]B:1181 |
1 |
1 |
524 |
f |
[MG]B:1190 |
-y,x-y-1,z |
2_545 |
1 |
1 |
98 |
12.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
103 |
|
[MG]A:1191 |
1 |
1 |
98 |
f |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
1 |
1 |
522 |
11.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
11.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 64 |
104 |
|
[MG]A:1192 |
1 |
1 |
98 |
f |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
3 |
1 |
522 |
11.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 65 |
105 |
|
[CA]A:1185 |
1 |
1 |
85 |
◊ |
[GDP]A:1180 |
x,y,z |
1_555 |
3 |
1 |
531 |
11.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
106 |
|
[CA]B:1183 |
1 |
1 |
85 |
◊ |
[GDP]B:1180 |
x,y,z |
1_555 |
3 |
1 |
530 |
10.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
10.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 66 |
107 |
|
[SO4]A:1188 |
2 |
1 |
187 |
◊ |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
4 |
1 |
522 |
8.8 |
-1.0 |
0.812 |
0 |
0 |
0 |
0.005 |
| 67 |
108 |
|
[GDP]B:1181 |
4 |
1 |
524 |
◊ |
[SO4]B:1188 |
-y,x-y-1,z |
2_545 |
2 |
1 |
186 |
8.6 |
-1.0 |
0.814 |
0 |
0 |
0 |
0.004 |
| 68 |
109 |
|
[MG]A:1192 |
1 |
1 |
98 |
◊ |
[SO4]A:1188 |
x,y,z |
1_555 |
3 |
1 |
187 |
8.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 69 |
110 |
|
B |
2 |
1 |
8458 |
◊ |
[CA]B:1183 |
-y,x-y-1,z |
2_545 |
1 |
1 |
85 |
8.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
111 |
|
[CA]A:1185 |
1 |
1 |
85 |
◊ |
A |
-y,x-y,z |
2_555 |
2 |
1 |
8413 |
7.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
7.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 70 |
112 |
|
[CA]A:1187 |
1 |
1 |
85 |
x |
[CA]A:1185 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 71 |
113 |
|
[CA]A:1193 |
1 |
1 |
85 |
◊ |
[GDP]A:1181 |
x,y,z |
1_555 |
3 |
1 |
522 |
6.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
114 |
|
[CA]B:1191 |
1 |
1 |
85 |
◊ |
[GDP]B:1181 |
x,y,z |
1_555 |
3 |
1 |
524 |
6.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
6.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 72 |
115 |
|
[GDP]B:1181 |
3 |
1 |
524 |
f |
[CA]B:1185 |
-y,x-y-1,z |
2_545 |
1 |
1 |
85 |
6.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
116 |
|
[CA]A:1184 |
1 |
1 |
85 |
f |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
3 |
1 |
522 |
5.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
6.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
| 73 |
117 |
|
[CA]B:1186 |
1 |
1 |
85 |
x |
[CA]B:1183 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.023 |
| 74 |
118 |
|
[GDP]B:1181 |
1 |
1 |
524 |
f |
[SO4]B:1187 |
-y,x-y-1,z |
2_545 |
1 |
1 |
187 |
5.4 |
-0.9 |
0.455 |
0 |
0 |
0 |
0.004 |
| 75 |
119 |
|
[SO4]A:1189 |
1 |
1 |
188 |
fx |
[CA]A:1187 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 76 |
120 |
|
[SO4]B:1187 |
1 |
1 |
187 |
fx |
[CA]B:1186 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.019 |
| 77 |
121 |
|
[CA]B:1191 |
1 |
1 |
85 |
x |
[CA]B:1182 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 78 |
122 |
|
B |
1 |
1 |
8458 |
◊ |
A |
x+2/3,y+1/3,z+1/3 |
4_555 |
1 |
1 |
8413 |
4.9 |
-0.2 |
0.362 |
0 |
0 |
0 |
0.000 |
| 79 |
123 |
|
[SO4]A:1189 |
2 |
1 |
188 |
f |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
1 |
1 |
522 |
4.9 |
-0.8 |
0.499 |
0 |
0 |
0 |
0.004 |
| 80 |
124 |
|
[MG]B:1190 |
1 |
1 |
98 |
f |
[CA]B:1185 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 81 |
125 |
|
[MG]A:1191 |
1 |
1 |
98 |
f |
[CA]A:1184 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 82 |
126 |
|
[CA]A:1193 |
1 |
1 |
85 |
x |
[CA]A:1186 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| 83 |
127 |
|
[SO4]A:1189 |
3 |
1 |
188 |
◊ |
[CA]A:1185 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 84 |
128 |
|
[MG]A:1192 |
1 |
1 |
98 |
f |
[CA]A:1184 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| 85 |
129 |
|
[GDP]A:1180 |
1 |
1 |
531 |
f |
[SO4]A:1189 |
-y,x-y,z |
2_555 |
1 |
1 |
188 |
3.5 |
-0.3 |
0.655 |
0 |
0 |
0 |
0.001 |
| 86 |
130 |
|
[CA]A:1193 |
1 |
1 |
85 |
x |
[CA]A:1185 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 87 |
131 |
|
[CA]B:1191 |
1 |
1 |
85 |
x |
[CA]B:1183 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 88 |
132 |
|
[CA]A:1186 |
1 |
1 |
85 |
f |
[GDP]A:1180 |
x,y,z |
1_555 |
1 |
1 |
531 |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
133 |
|
[CA]B:1182 |
1 |
1 |
85 |
f |
[GDP]B:1180 |
x,y,z |
1_555 |
1 |
1 |
530 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 89 |
134 |
|
[CA]B:1183 |
1 |
1 |
85 |
◊ |
[GDP]B:1181 |
-y,x-y-1,z |
2_545 |
1 |
1 |
524 |
2.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
135 |
|
[GDP]A:1181 |
1 |
1 |
522 |
◊ |
[CA]A:1185 |
-y,x-y,z |
2_555 |
1 |
1 |
85 |
2.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
2.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
| 90 |
136 |
|
[SO4]B:1187 |
1 |
1 |
187 |
f |
[GDP]B:1180 |
-y,x-y-1,z |
2_545 |
1 |
1 |
530 |
2.0 |
-0.2 |
0.681 |
0 |
0 |
0 |
0.000 |
| 91 |
137 |
|
[SO4]A:1189 |
1 |
1 |
188 |
◊ |
[CA]A:1193 |
-y,x-y,z |
2_555 |
1 |
1 |
85 |
2.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| 92 |
138 |
|
[CA]B:1185 |
1 |
1 |
85 |
◊ |
[CA]B:1184 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 93 |
139 |
|
[CA]B:1191 |
1 |
1 |
85 |
◊ |
[SO4]B:1187 |
-y,x-y-1,z |
2_545 |
1 |
1 |
187 |
1.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 94 |
140 |
|
[CA]A:1184 |
1 |
1 |
85 |
◊ |
[CA]A:1183 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 95 |
141 |
|
[GDP]B:1181 |
1 |
1 |
524 |
◊ |
B |
-y,x-y-1,z |
2_545 |
1 |
1 |
8458 |
1.2 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
142 |
|
A |
1 |
1 |
8413 |
◊ |
[GDP]A:1181 |
-y,x-y,z |
2_555 |
1 |
1 |
522 |
0.9 |
-0.0 |
0.515 |
0 |
0 |
0 |
0.000 |
| Average: |
1.1 |
-0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
| 96 |
143 |
|
[CA]B:1183 |
1 |
1 |
85 |
◊ |
[SO4]B:1187 |
-y,x-y-1,z |
2_545 |
1 |
1 |
187 |
0.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 97 |
144 |
|
[SO4]A:1189 |
1 |
1 |
188 |
◊ |
[CA]A:1185 |
-y,x-y,z |
2_555 |
1 |
1 |
85 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|