| ## |
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 |
637 |
165 |
22868 |
◊ |
A |
x,y,z |
1_555 |
504 |
89 |
10802 |
5457.4 |
-52.0 |
0.243 |
93 |
29 |
0 |
0.712 |
2 |
|
D |
637 |
164 |
22681 |
◊ |
B |
x,y,z |
1_555 |
498 |
88 |
10789 |
5396.6 |
-53.2 |
0.246 |
91 |
28 |
0 |
0.712 |
| Average: |
5427.0 |
-52.6 |
0.245 |
92 |
29 |
0 |
0.712 |
| 2 |
3 |
|
B |
58 |
22 |
10789 |
◊ |
A |
x,y,z |
1_555 |
56 |
21 |
10802 |
578.4 |
-3.7 |
0.729 |
4 |
2 |
0 |
0.000 |
| 3 |
4 |
|
[HEM]A:605 |
42 |
1 |
846 |
cf |
C |
x,y,z |
1_555 |
56 |
23 |
22868 |
456.3 |
-13.7 |
0.690 |
3 |
0 |
0 |
0.109 |
5 |
|
[HEM]B:605 |
41 |
1 |
842 |
cf |
D |
x,y,z |
1_555 |
57 |
22 |
22681 |
452.2 |
-13.7 |
0.694 |
3 |
0 |
0 |
0.109 |
| Average: |
454.3 |
-13.7 |
0.692 |
3 |
0 |
0 |
0.109 |
| 4 |
6 |
|
D |
37 |
14 |
22681 |
◊ |
C |
x,y,z |
1_555 |
35 |
14 |
22868 |
361.2 |
-6.7 |
0.078 |
3 |
0 |
1 |
0.000 |
| 5 |
7 |
|
C |
35 |
9 |
22868 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
36 |
10 |
22868 |
350.9 |
-1.2 |
0.524 |
3 |
7 |
0 |
0.000 |
| 6 |
8 |
|
C |
31 |
11 |
22868 |
x |
C |
-x,y-1/2,-z |
2_545 |
37 |
12 |
22868 |
318.7 |
-1.8 |
0.426 |
1 |
1 |
0 |
0.000 |
| 7 |
9 |
|
C |
34 |
11 |
22868 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
26 |
7 |
10802 |
298.1 |
-2.1 |
0.493 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
37 |
13 |
22868 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
10789 |
251.5 |
-0.7 |
0.587 |
2 |
0 |
0 |
0.000 |
11 |
|
D |
34 |
11 |
22681 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
10802 |
250.1 |
-0.9 |
0.561 |
2 |
0 |
0 |
0.000 |
| Average: |
250.8 |
-0.8 |
0.574 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[HEM]A:605 |
33 |
1 |
846 |
c |
A |
x,y,z |
1_555 |
36 |
12 |
10802 |
246.0 |
-7.3 |
0.914 |
2 |
0 |
0 |
0.058 |
13 |
|
[HEM]B:605 |
33 |
1 |
842 |
c |
B |
x,y,z |
1_555 |
36 |
12 |
10789 |
243.6 |
-7.1 |
0.918 |
2 |
0 |
0 |
0.058 |
| Average: |
244.8 |
-7.2 |
0.916 |
2 |
0 |
0 |
0.058 |
| 10 |
14 |
|
C |
26 |
9 |
22868 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
14 |
4 |
10789 |
194.0 |
2.0 |
0.730 |
4 |
3 |
0 |
0.000 |
| 11 |
15 |
|
A |
17 |
5 |
10802 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
22 |
5 |
22681 |
187.9 |
1.2 |
0.805 |
3 |
1 |
0 |
0.000 |
| 12 |
16 |
|
D |
18 |
6 |
22681 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
7 |
10789 |
186.5 |
0.7 |
0.785 |
3 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[NAG]D:2620 |
13 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
20 |
9 |
22681 |
178.0 |
4.2 |
0.432 |
3 |
0 |
0 |
0.000 |
18 |
|
[NAG]C:1620 |
13 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
19 |
9 |
22868 |
175.5 |
4.3 |
0.425 |
3 |
0 |
0 |
0.000 |
| Average: |
176.8 |
4.2 |
0.429 |
3 |
0 |
0 |
0.000 |
| 14 |
19 |
|
C |
12 |
4 |
22868 |
◊ |
D |
x,y-1,z-1 |
1_544 |
14 |
4 |
22681 |
126.2 |
1.6 |
0.829 |
3 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[NAG]D:2630 |
12 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
21 |
9 |
22681 |
123.1 |
2.3 |
0.269 |
1 |
0 |
0 |
0.000 |
21 |
|
[NAG]C:1630 |
12 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
17 |
7 |
22868 |
118.7 |
2.3 |
0.265 |
0 |
0 |
0 |
0.000 |
| Average: |
120.9 |
2.3 |
0.267 |
1 |
0 |
0 |
0.000 |
| 16 |
22 |
|
D |
13 |
5 |
22681 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
22681 |
113.5 |
2.0 |
0.858 |
2 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[ACT]C:1606 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
22868 |
109.9 |
-1.0 |
0.576 |
1 |
0 |
0 |
0.010 |
| 18 |
24 |
|
C |
13 |
6 |
22868 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
16 |
7 |
22681 |
107.3 |
0.8 |
0.723 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[BMA]D:2642 |
9 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
22868 |
106.5 |
1.3 |
0.297 |
0 |
0 |
0 |
0.000 |
26 |
|
[BMA]C:1642 |
9 |
1 |
292 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
22681 |
106.2 |
1.3 |
0.300 |
0 |
0 |
0 |
0.000 |
| Average: |
106.4 |
1.3 |
0.299 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[FUC]D:2645 |
8 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
22681 |
102.4 |
2.8 |
0.430 |
1 |
0 |
0 |
0.000 |
28 |
|
[FUC]C:1645 |
8 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
22868 |
99.4 |
2.5 |
0.434 |
1 |
0 |
0 |
0.000 |
| Average: |
100.9 |
2.6 |
0.432 |
1 |
0 |
0 |
0.000 |
| 21 |
29 |
|
C |
10 |
5 |
22868 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
22681 |
101.2 |
-0.9 |
0.407 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[ACT]D:1004 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
22681 |
100.4 |
-0.4 |
0.662 |
2 |
0 |
0 |
0.009 |
| 23 |
31 |
|
[NAG]D:2641 |
11 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
22868 |
99.1 |
1.1 |
0.195 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]C:1641 |
11 |
1 |
365 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
22681 |
97.8 |
1.2 |
0.197 |
0 |
0 |
0 |
0.000 |
| Average: |
98.5 |
1.2 |
0.196 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
A |
11 |
3 |
10802 |
◊ |
D |
x,y,z-1 |
1_554 |
11 |
3 |
22681 |
97.1 |
1.3 |
0.838 |
1 |
1 |
0 |
0.000 |
| 25 |
34 |
|
[NAG]D:2640 |
12 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
22681 |
96.8 |
2.2 |
0.237 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]C:1640 |
12 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
22868 |
85.9 |
2.3 |
0.259 |
0 |
0 |
0 |
0.000 |
| Average: |
91.3 |
2.2 |
0.248 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[MAN]D:2644 |
7 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
22868 |
90.7 |
1.1 |
0.273 |
1 |
0 |
0 |
0.000 |
37 |
|
[MAN]C:1644 |
7 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
22681 |
88.6 |
1.0 |
0.259 |
1 |
0 |
0 |
0.000 |
| Average: |
89.6 |
1.0 |
0.266 |
1 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[ACT]D:1006 |
4 |
1 |
180 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
22681 |
79.9 |
0.7 |
0.757 |
2 |
0 |
0 |
0.002 |
| 28 |
39 |
|
[ACT]C:1607 |
4 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
22868 |
79.0 |
0.8 |
0.837 |
2 |
0 |
0 |
0.000 |
| 29 |
40 |
|
C |
11 |
5 |
22868 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
4 |
22681 |
78.6 |
1.2 |
0.815 |
0 |
0 |
0 |
0.000 |
| 30 |
41 |
|
C |
5 |
1 |
22868 |
x |
C |
x,y-1,z |
1_545 |
10 |
3 |
22868 |
74.6 |
0.7 |
0.609 |
3 |
0 |
0 |
0.000 |
| 31 |
42 |
|
[ACT]C:1604 |
4 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
22868 |
72.5 |
0.1 |
0.722 |
2 |
0 |
0 |
0.005 |
| 32 |
43 |
|
[NAG]D:2641 |
8 |
1 |
362 |
cf |
[NAG]D:2640 |
x,y,z |
1_555 |
7 |
1 |
364 |
70.4 |
1.6 |
0.100 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]C:1641 |
10 |
1 |
365 |
cf |
[NAG]C:1640 |
x,y,z |
1_555 |
7 |
1 |
364 |
70.4 |
1.6 |
0.082 |
0 |
0 |
0 |
0.000 |
| Average: |
70.4 |
1.6 |
0.091 |
0 |
0 |
0 |
0.000 |
| 33 |
45 |
|
[SO4]C:1603 |
4 |
1 |
185 |
f |
C |
x,y-1,z |
1_545 |
10 |
3 |
22868 |
70.3 |
-10.6 |
0.668 |
3 |
0 |
0 |
0.080 |
| 34 |
46 |
|
[MAN]D:2643 |
6 |
1 |
289 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
22868 |
64.8 |
1.7 |
0.370 |
3 |
0 |
0 |
0.000 |
| 35 |
47 |
|
[MAN]C:1643 |
6 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
22681 |
63.6 |
1.7 |
0.352 |
3 |
0 |
0 |
0.000 |
| 36 |
48 |
|
[ACT]D:1005 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
22681 |
63.3 |
-0.3 |
0.578 |
1 |
0 |
0 |
0.006 |
| 37 |
49 |
|
[MAN]C:1644 |
7 |
1 |
291 |
cf |
[BMA]C:1642 |
x,y,z |
1_555 |
6 |
1 |
292 |
60.5 |
2.5 |
0.197 |
0 |
0 |
0 |
0.000 |
50 |
|
[MAN]D:2644 |
6 |
1 |
293 |
cf |
[BMA]D:2642 |
x,y,z |
1_555 |
6 |
1 |
291 |
60.0 |
2.5 |
0.213 |
0 |
0 |
0 |
0.000 |
| Average: |
60.2 |
2.5 |
0.205 |
0 |
0 |
0 |
0.000 |
| 38 |
51 |
|
[FUC]C:1645 |
5 |
1 |
280 |
cf |
[NAG]C:1640 |
x,y,z |
1_555 |
7 |
1 |
364 |
57.7 |
2.3 |
0.209 |
0 |
0 |
0 |
0.000 |
52 |
|
[FUC]D:2645 |
5 |
1 |
279 |
cf |
[NAG]D:2640 |
x,y,z |
1_555 |
6 |
1 |
364 |
56.9 |
2.3 |
0.227 |
0 |
0 |
0 |
0.000 |
| Average: |
57.3 |
2.3 |
0.218 |
0 |
0 |
0 |
0.000 |
| 39 |
53 |
|
[BMA]C:1642 |
7 |
1 |
292 |
cf |
[NAG]C:1641 |
x,y,z |
1_555 |
5 |
1 |
365 |
57.0 |
1.1 |
0.108 |
0 |
0 |
0 |
0.000 |
54 |
|
[BMA]D:2642 |
7 |
1 |
291 |
cf |
[NAG]D:2641 |
x,y,z |
1_555 |
5 |
1 |
362 |
56.5 |
1.1 |
0.108 |
0 |
0 |
0 |
0.000 |
| Average: |
56.8 |
1.1 |
0.108 |
0 |
0 |
0 |
0.000 |
| 40 |
55 |
|
[SO4]B:1003 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
22681 |
54.8 |
-6.5 |
0.865 |
1 |
0 |
0 |
0.051 |
| 41 |
56 |
|
[MAN]C:1643 |
5 |
1 |
290 |
cf |
[BMA]C:1642 |
x,y,z |
1_555 |
6 |
1 |
292 |
53.4 |
2.3 |
0.227 |
0 |
0 |
0 |
0.000 |
57 |
|
[MAN]D:2643 |
6 |
1 |
289 |
cf |
[BMA]D:2642 |
x,y,z |
1_555 |
6 |
1 |
291 |
53.0 |
2.3 |
0.212 |
0 |
0 |
0 |
0.000 |
| Average: |
53.2 |
2.3 |
0.220 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
[SO4]A:1602 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
22868 |
49.0 |
-5.7 |
0.888 |
1 |
0 |
0 |
0.041 |
| 43 |
59 |
|
[CL]B:1002 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
22681 |
48.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.052 |
60 |
|
[CL]A:1601 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
22868 |
48.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
48.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.052 |
| 44 |
61 |
|
[CL]B:1002 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
10789 |
48.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.040 |
62 |
|
[CL]A:1601 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
10802 |
47.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
47.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.040 |
| 45 |
63 |
|
[NAG]D:2640 |
6 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
22868 |
45.3 |
-0.2 |
0.148 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]C:1640 |
6 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
22681 |
44.3 |
-0.2 |
0.153 |
0 |
0 |
0 |
0.000 |
| Average: |
44.8 |
-0.2 |
0.151 |
0 |
0 |
0 |
0.000 |
| 46 |
65 |
|
[SO4]C:1603 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
22868 |
44.3 |
-4.1 |
0.956 |
2 |
0 |
0 |
0.000 |
| 47 |
66 |
|
[MAN]D:2644 |
3 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
12 |
1 |
10802 |
43.0 |
1.0 |
0.648 |
0 |
0 |
0 |
0.000 |
67 |
|
[MAN]C:1644 |
3 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
10789 |
40.6 |
1.0 |
0.622 |
0 |
0 |
0 |
0.000 |
| Average: |
41.8 |
1.0 |
0.635 |
0 |
0 |
0 |
0.000 |
| 48 |
68 |
|
[SO4]A:1602 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
10802 |
41.8 |
-4.7 |
0.814 |
1 |
0 |
0 |
0.034 |
| 49 |
69 |
|
[SO4]B:1003 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
10789 |
38.8 |
-4.3 |
0.805 |
1 |
0 |
0 |
0.034 |
| 50 |
70 |
|
[FUC]C:1645 |
3 |
1 |
280 |
f |
[NAG]C:1641 |
x,y,z |
1_555 |
8 |
1 |
365 |
36.8 |
1.8 |
0.187 |
0 |
0 |
0 |
0.000 |
71 |
|
[FUC]D:2645 |
3 |
1 |
279 |
f |
[NAG]D:2641 |
x,y,z |
1_555 |
5 |
1 |
362 |
35.3 |
1.8 |
0.277 |
0 |
0 |
0 |
0.000 |
| Average: |
36.0 |
1.8 |
0.232 |
0 |
0 |
0 |
0.000 |
| 51 |
72 |
|
[FUC]D:2645 |
6 |
1 |
279 |
◊ |
[MAN]C:1644 |
x,y,z |
1_555 |
3 |
1 |
291 |
33.8 |
0.4 |
0.120 |
0 |
0 |
0 |
0.000 |
73 |
|
[FUC]C:1645 |
5 |
1 |
280 |
◊ |
[MAN]D:2644 |
x,y,z |
1_555 |
3 |
1 |
293 |
33.6 |
0.5 |
0.157 |
0 |
0 |
0 |
0.000 |
| Average: |
33.7 |
0.5 |
0.138 |
0 |
0 |
0 |
0.000 |
| 52 |
74 |
|
[NAG]C:1641 |
3 |
1 |
365 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10789 |
32.1 |
0.4 |
0.384 |
0 |
0 |
0 |
0.000 |
75 |
|
[NAG]D:2641 |
3 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10802 |
30.6 |
0.4 |
0.340 |
0 |
0 |
0 |
0.000 |
| Average: |
31.3 |
0.4 |
0.362 |
0 |
0 |
0 |
0.000 |
| 53 |
76 |
|
C |
6 |
1 |
22868 |
◊ |
[NAG]C:1640 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
364 |
31.7 |
1.5 |
0.806 |
0 |
0 |
0 |
0.000 |
| 54 |
77 |
|
[NAG]D:2641 |
3 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
22681 |
31.7 |
1.0 |
0.518 |
0 |
0 |
0 |
0.000 |
78 |
|
[NAG]C:1641 |
3 |
1 |
365 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
22868 |
31.2 |
1.0 |
0.563 |
0 |
0 |
0 |
0.000 |
| Average: |
31.4 |
1.0 |
0.541 |
0 |
0 |
0 |
0.000 |
| 55 |
79 |
|
[CA]D:1001 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
22681 |
31.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.059 |
80 |
|
[CA]C:1600 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
22868 |
31.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
31.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.059 |
| 56 |
81 |
|
[MAN]C:1644 |
4 |
1 |
291 |
f |
[NAG]C:1641 |
x,y,z |
1_555 |
3 |
1 |
365 |
29.3 |
0.9 |
0.226 |
0 |
0 |
0 |
0.000 |
82 |
|
[MAN]D:2644 |
4 |
1 |
293 |
f |
[NAG]D:2641 |
x,y,z |
1_555 |
3 |
1 |
362 |
28.6 |
0.8 |
0.226 |
0 |
0 |
0 |
0.000 |
| Average: |
29.0 |
0.9 |
0.226 |
0 |
0 |
0 |
0.000 |
| 57 |
83 |
|
[CA]C:1600 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10802 |
25.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.032 |
84 |
|
[CA]D:1001 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10789 |
25.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
25.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.032 |
| 58 |
85 |
|
C |
4 |
2 |
22868 |
◊ |
[ACT]C:1604 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
180 |
22.5 |
0.2 |
0.726 |
0 |
0 |
0 |
0.000 |
| 59 |
86 |
|
[ACT]C:1606 |
2 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10802 |
14.7 |
-0.4 |
0.641 |
0 |
0 |
0 |
0.003 |
| 60 |
87 |
|
[SO4]A:1602 |
3 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10789 |
14.6 |
-1.9 |
0.488 |
0 |
0 |
0 |
0.000 |
| 61 |
88 |
|
D |
3 |
2 |
22681 |
x |
D |
x,y-1,z |
1_545 |
1 |
1 |
22681 |
12.4 |
0.3 |
0.620 |
0 |
0 |
0 |
0.000 |
| 62 |
89 |
|
[MAN]D:2644 |
1 |
1 |
293 |
◊ |
[MAN]C:1644 |
x,y,z |
1_555 |
1 |
1 |
291 |
7.0 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
| 63 |
90 |
|
A |
1 |
1 |
10802 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10789 |
5.8 |
0.3 |
0.817 |
0 |
0 |
0 |
0.000 |
| 64 |
91 |
|
[ACT]D:1004 |
2 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10789 |
2.8 |
-0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
| 65 |
92 |
|
[MAN]D:2644 |
1 |
1 |
293 |
◊ |
[NAG]C:1640 |
x,y,z |
1_555 |
1 |
1 |
364 |
1.7 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
93 |
|
[MAN]C:1644 |
1 |
1 |
291 |
◊ |
[NAG]D:2640 |
x,y,z |
1_555 |
1 |
1 |
364 |
1.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| Average: |
1.3 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 66 |
94 |
|
[MAN]D:2643 |
1 |
1 |
289 |
f |
[NAG]D:2641 |
x,y,z |
1_555 |
1 |
1 |
362 |
0.3 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|