## |
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 |
|
E |
107 |
28 |
12647 |
◊ |
B |
x,y,z |
1_555 |
105 |
28 |
12596 |
1011.2 |
-4.2 |
0.538 |
16 |
6 |
0 |
0.194 |
2 |
|
G |
110 |
28 |
12529 |
◊ |
D |
x,y,z |
1_555 |
103 |
28 |
12552 |
988.6 |
-1.7 |
0.689 |
17 |
5 |
0 |
0.194 |
3 |
|
F |
107 |
28 |
12579 |
◊ |
C |
x,y,z |
1_555 |
107 |
28 |
12494 |
982.9 |
-3.7 |
0.570 |
15 |
4 |
0 |
0.194 |
4 |
|
H |
106 |
28 |
12727 |
◊ |
A |
x,y,z |
1_555 |
103 |
28 |
12598 |
977.4 |
-3.6 |
0.533 |
16 |
7 |
0 |
0.194 |
Average: |
990.0 |
-3.3 |
0.583 |
16 |
6 |
0 |
0.194 |
2 |
5 |
|
A |
56 |
19 |
12598 |
◊ |
C |
x-1,y,z |
1_455 |
57 |
19 |
12494 |
498.4 |
1.9 |
0.828 |
12 |
6 |
0 |
0.000 |
6 |
|
B |
61 |
21 |
12596 |
◊ |
D |
x-1,y,z |
1_455 |
58 |
20 |
12552 |
490.7 |
1.0 |
0.788 |
10 |
4 |
0 |
0.000 |
7 |
|
G |
57 |
20 |
12529 |
◊ |
E |
x,y,z |
1_555 |
55 |
19 |
12647 |
489.9 |
2.6 |
0.863 |
11 |
6 |
0 |
0.000 |
8 |
|
H |
57 |
20 |
12727 |
◊ |
F |
x-1,y+1,z |
1_465 |
55 |
18 |
12579 |
480.6 |
1.2 |
0.788 |
8 |
4 |
0 |
0.000 |
Average: |
489.9 |
1.7 |
0.817 |
10 |
5 |
0 |
0.000 |
3 |
9 |
|
D |
52 |
16 |
12552 |
◊ |
C |
x,y,z |
1_555 |
56 |
16 |
12494 |
463.0 |
-1.8 |
0.554 |
0 |
0 |
0 |
0.000 |
10 |
|
B |
51 |
15 |
12596 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
12598 |
460.4 |
-1.9 |
0.535 |
0 |
0 |
0 |
0.000 |
Average: |
461.7 |
-1.8 |
0.545 |
0 |
0 |
0 |
0.000 |
4 |
11 |
|
[PE3]D:408 |
13 |
1 |
401 |
f |
D |
x,y,z |
1_555 |
28 |
12 |
12552 |
249.8 |
-6.8 |
0.525 |
0 |
0 |
0 |
0.087 |
5 |
12 |
|
G |
14 |
6 |
12529 |
◊ |
H |
x,y-1,z+1 |
1_546 |
22 |
8 |
12727 |
198.0 |
-0.7 |
0.420 |
3 |
4 |
0 |
0.000 |
6 |
13 |
|
A |
28 |
7 |
12598 |
◊ |
E |
x,y,z-1 |
1_554 |
23 |
7 |
12647 |
180.4 |
-0.5 |
0.529 |
2 |
0 |
0 |
0.000 |
7 |
14 |
|
[BAM]E:406 |
9 |
1 |
276 |
f |
E |
x,y,z |
1_555 |
28 |
13 |
12647 |
177.8 |
4.4 |
0.397 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
[BAM]A:407 |
9 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
12598 |
177.5 |
4.5 |
0.408 |
0 |
0 |
0 |
0.000 |
16 |
|
[BAM]C:406 |
9 |
1 |
274 |
f |
C |
x,y,z |
1_555 |
29 |
13 |
12494 |
174.1 |
4.6 |
0.430 |
0 |
0 |
0 |
0.000 |
Average: |
175.8 |
4.6 |
0.419 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
[BAM]B:408 |
9 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
28 |
14 |
12596 |
177.3 |
4.5 |
0.419 |
0 |
0 |
0 |
0.000 |
18 |
|
[BAM]D:409 |
9 |
1 |
275 |
f |
D |
x,y,z |
1_555 |
27 |
13 |
12552 |
177.3 |
4.6 |
0.422 |
0 |
0 |
0 |
0.000 |
19 |
|
[BAM]G:409 |
9 |
1 |
273 |
f |
G |
x,y,z |
1_555 |
27 |
13 |
12529 |
175.7 |
4.5 |
0.418 |
0 |
0 |
0 |
0.000 |
Average: |
176.8 |
4.5 |
0.419 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
[BAM]H:406 |
9 |
1 |
271 |
f |
H |
x,y,z |
1_555 |
26 |
13 |
12727 |
175.9 |
4.2 |
0.378 |
0 |
0 |
0 |
0.000 |
21 |
|
[BAM]F:405 |
9 |
1 |
273 |
f |
F |
x,y,z |
1_555 |
26 |
12 |
12579 |
175.6 |
4.3 |
0.381 |
0 |
0 |
0 |
0.000 |
Average: |
175.7 |
4.2 |
0.379 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
[PE3]A:406 |
10 |
1 |
385 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
12598 |
157.5 |
-2.9 |
0.748 |
1 |
0 |
0 |
0.036 |
12 |
23 |
|
C |
14 |
5 |
12494 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
12598 |
151.1 |
-3.8 |
0.064 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
14 |
5 |
12596 |
◊ |
D |
x-1,y+1,z |
1_465 |
14 |
5 |
12552 |
149.8 |
-3.7 |
0.078 |
0 |
0 |
0 |
0.000 |
Average: |
150.4 |
-3.7 |
0.071 |
0 |
0 |
0 |
0.000 |
13 |
25 |
|
E |
17 |
6 |
12647 |
◊ |
D |
x-1,y+1,z |
1_465 |
16 |
5 |
12552 |
147.8 |
-0.2 |
0.506 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
16 |
5 |
12596 |
◊ |
G |
x-1,y+1,z |
1_465 |
18 |
6 |
12529 |
137.5 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
18 |
6 |
12727 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
12494 |
136.3 |
-0.1 |
0.475 |
0 |
0 |
0 |
0.000 |
28 |
|
F |
18 |
6 |
12579 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
12598 |
132.2 |
0.2 |
0.604 |
1 |
0 |
0 |
0.000 |
Average: |
138.4 |
-0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
14 |
29 |
|
[PE3]H:405 |
7 |
1 |
260 |
f |
H |
x,y,z |
1_555 |
21 |
8 |
12727 |
147.2 |
-0.5 |
0.696 |
3 |
0 |
0 |
0.020 |
15 |
30 |
|
[GOL]D:402 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
12552 |
141.5 |
-1.8 |
0.293 |
1 |
0 |
0 |
0.028 |
16 |
31 |
|
[GOL]B:407 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
12596 |
140.5 |
-2.3 |
0.304 |
1 |
0 |
0 |
0.042 |
17 |
32 |
|
[GOL]G:405 |
6 |
1 |
217 |
f |
G |
x,y,z |
1_555 |
22 |
9 |
12529 |
137.3 |
0.7 |
0.714 |
3 |
0 |
0 |
0.008 |
18 |
33 |
|
[GOL]D:405 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
12552 |
136.3 |
0.4 |
0.677 |
3 |
0 |
0 |
0.011 |
19 |
34 |
|
[GOL]E:405 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
12647 |
133.3 |
-0.1 |
0.554 |
1 |
0 |
0 |
0.009 |
20 |
35 |
|
[GOL]A:403 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
12598 |
131.9 |
0.3 |
0.651 |
4 |
0 |
0 |
0.016 |
21 |
36 |
|
[GOL]B:405 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
12596 |
122.6 |
-0.1 |
0.590 |
3 |
0 |
0 |
0.022 |
22 |
37 |
|
[GOL]E:404 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
12647 |
121.3 |
0.2 |
0.647 |
7 |
0 |
0 |
0.045 |
23 |
38 |
|
[GOL]F:403 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
17 |
9 |
12579 |
117.6 |
-0.4 |
0.579 |
2 |
0 |
0 |
0.023 |
24 |
39 |
|
[GOL]G:407 |
6 |
1 |
215 |
◊ |
G |
x,y,z |
1_555 |
17 |
5 |
12529 |
117.5 |
0.2 |
0.672 |
2 |
0 |
0 |
0.009 |
25 |
40 |
|
[GOL]A:405 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
12598 |
109.5 |
0.0 |
0.628 |
2 |
0 |
0 |
0.010 |
26 |
41 |
|
[GOL]C:403 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
12494 |
108.4 |
0.6 |
0.670 |
6 |
0 |
0 |
0.036 |
42 |
|
[GOL]G:402 |
6 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
12529 |
106.3 |
0.6 |
0.673 |
6 |
0 |
0 |
0.036 |
Average: |
107.4 |
0.6 |
0.672 |
6 |
0 |
0 |
0.036 |
27 |
43 |
|
[GOL]H:404 |
6 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
12727 |
106.7 |
-1.4 |
0.349 |
5 |
0 |
0 |
0.039 |
28 |
44 |
|
[GOL]C:404 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
12494 |
104.4 |
-0.3 |
0.573 |
2 |
0 |
0 |
0.021 |
29 |
45 |
|
[GOL]E:402 |
6 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
12647 |
103.9 |
0.3 |
0.617 |
5 |
0 |
0 |
0.030 |
30 |
46 |
|
[GOL]D:404 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
12552 |
101.5 |
0.3 |
0.628 |
3 |
0 |
0 |
0.014 |
31 |
47 |
|
[GOL]H:403 |
6 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
12727 |
100.5 |
-0.9 |
0.435 |
0 |
0 |
0 |
0.010 |
32 |
48 |
|
[GOL]D:406 |
5 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
12552 |
100.3 |
-0.3 |
0.548 |
1 |
0 |
0 |
0.000 |
33 |
49 |
|
[GOL]B:403 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
12596 |
99.3 |
-0.2 |
0.594 |
2 |
0 |
0 |
0.016 |
34 |
50 |
|
[GOL]F:402 |
6 |
1 |
213 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
12579 |
97.5 |
0.4 |
0.711 |
5 |
0 |
0 |
0.033 |
35 |
51 |
|
[GOL]B:406 |
5 |
1 |
216 |
f |
D |
x-1,y,z |
1_455 |
14 |
8 |
12552 |
96.2 |
0.9 |
0.658 |
4 |
0 |
0 |
0.011 |
36 |
52 |
|
[PE3]A:406 |
9 |
1 |
385 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
12596 |
96.2 |
-3.3 |
0.680 |
0 |
0 |
0 |
0.000 |
37 |
53 |
|
[GOL]B:406 |
6 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
12596 |
95.5 |
1.2 |
0.752 |
3 |
0 |
0 |
0.000 |
38 |
54 |
|
[GOL]G:408 |
6 |
1 |
217 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
12529 |
92.1 |
0.1 |
0.606 |
1 |
0 |
0 |
0.005 |
39 |
55 |
|
[GOL]F:401 |
6 |
1 |
214 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
12579 |
89.5 |
-0.8 |
0.506 |
2 |
0 |
0 |
0.029 |
40 |
56 |
|
[GOL]F:401 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
12494 |
87.9 |
-0.1 |
0.628 |
4 |
0 |
0 |
0.034 |
41 |
57 |
|
[GOL]G:406 |
5 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
12 |
3 |
12529 |
83.7 |
-1.0 |
0.412 |
1 |
0 |
0 |
0.018 |
42 |
58 |
|
[GOL]G:408 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
12552 |
83.7 |
-0.3 |
0.506 |
2 |
0 |
0 |
0.015 |
43 |
59 |
|
[GOL]A:405 |
5 |
1 |
219 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
7 |
12494 |
83.5 |
0.9 |
0.617 |
2 |
0 |
0 |
0.000 |
44 |
60 |
|
[GOL]G:406 |
6 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
12647 |
79.8 |
-1.4 |
0.340 |
0 |
0 |
0 |
0.000 |
45 |
61 |
|
[PE3]D:408 |
8 |
1 |
401 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
12494 |
77.9 |
-3.1 |
0.785 |
0 |
0 |
0 |
0.000 |
46 |
62 |
|
[SO4]A:402 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12598 |
77.2 |
-10.5 |
0.745 |
1 |
0 |
0 |
0.119 |
47 |
63 |
|
[SO4]A:402 |
5 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
12727 |
75.4 |
-9.8 |
0.731 |
1 |
0 |
0 |
0.111 |
48 |
64 |
|
[GOL]G:403 |
5 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
12529 |
72.0 |
1.4 |
0.768 |
3 |
0 |
0 |
0.000 |
49 |
65 |
|
[GOL]E:403 |
4 |
1 |
215 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
12647 |
69.2 |
0.8 |
0.730 |
2 |
0 |
0 |
0.000 |
50 |
66 |
|
[PE3]H:405 |
6 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12598 |
68.7 |
-1.8 |
0.360 |
0 |
0 |
0 |
0.019 |
51 |
67 |
|
[SO4]C:401 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
12494 |
66.2 |
-8.9 |
0.748 |
2 |
0 |
0 |
0.173 |
68 |
|
[SO4]A:401 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12598 |
66.1 |
-9.2 |
0.715 |
2 |
0 |
0 |
0.173 |
Average: |
66.2 |
-9.1 |
0.732 |
2 |
0 |
0 |
0.173 |
52 |
69 |
|
[SO4]G:401 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
8 |
3 |
12529 |
65.5 |
-9.0 |
0.731 |
2 |
0 |
0 |
0.126 |
53 |
70 |
|
[SO4]C:402 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
12579 |
65.5 |
-8.3 |
0.907 |
2 |
0 |
0 |
0.162 |
54 |
71 |
|
[SO4]B:402 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12596 |
65.1 |
-8.9 |
0.722 |
2 |
0 |
0 |
0.150 |
55 |
72 |
|
[SO4]B:401 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
12647 |
64.4 |
-8.8 |
0.712 |
2 |
0 |
0 |
0.148 |
56 |
73 |
|
[SO4]D:401 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
12552 |
63.9 |
-8.7 |
0.716 |
2 |
0 |
0 |
0.122 |
57 |
74 |
|
[SO4]H:401 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
8 |
3 |
12727 |
63.5 |
-8.6 |
0.738 |
2 |
0 |
0 |
0.103 |
58 |
75 |
|
[GOL]E:402 |
4 |
1 |
217 |
◊ |
G |
x,y,z |
1_555 |
6 |
4 |
12529 |
58.7 |
0.4 |
0.677 |
2 |
0 |
0 |
0.000 |
59 |
76 |
|
[SO4]B:401 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12596 |
58.6 |
-6.6 |
0.959 |
3 |
0 |
0 |
0.121 |
60 |
77 |
|
[SO4]B:402 |
5 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
12647 |
58.6 |
-6.4 |
0.964 |
3 |
0 |
0 |
0.118 |
61 |
78 |
|
A |
6 |
4 |
12598 |
◊ |
[GOL]C:403 |
x-1,y,z |
1_455 |
3 |
1 |
218 |
58.2 |
0.3 |
0.626 |
1 |
0 |
0 |
0.000 |
79 |
|
[GOL]G:402 |
3 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
12647 |
54.8 |
0.4 |
0.628 |
1 |
0 |
0 |
0.000 |
Average: |
56.5 |
0.3 |
0.627 |
1 |
0 |
0 |
0.000 |
62 |
80 |
|
[CL]D:407 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
12552 |
56.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.100 |
63 |
81 |
|
[SO4]H:402 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
5 |
3 |
12727 |
55.7 |
-6.3 |
0.935 |
2 |
0 |
0 |
0.078 |
64 |
82 |
|
[SO4]C:402 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12494 |
55.7 |
-6.3 |
0.963 |
3 |
0 |
0 |
0.135 |
65 |
83 |
|
[CL]C:405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
12494 |
55.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.121 |
66 |
84 |
|
[SO4]D:401 |
5 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
12529 |
54.9 |
-6.7 |
0.905 |
2 |
0 |
0 |
0.096 |
67 |
85 |
|
[CL]E:401 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
12647 |
54.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.204 |
86 |
|
[CL]G:404 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
12529 |
54.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.204 |
87 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12598 |
53.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.204 |
88 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12596 |
53.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.204 |
89 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
12552 |
52.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.204 |
Average: |
53.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.204 |
68 |
90 |
|
[SO4]H:401 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12598 |
53.8 |
-6.7 |
0.890 |
2 |
0 |
0 |
0.082 |
69 |
91 |
|
[SO4]A:401 |
5 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
12727 |
53.7 |
-6.9 |
0.883 |
2 |
0 |
0 |
0.130 |
92 |
|
[SO4]C:401 |
5 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
12579 |
52.1 |
-6.5 |
0.916 |
2 |
0 |
0 |
0.130 |
Average: |
52.9 |
-6.7 |
0.899 |
2 |
0 |
0 |
0.130 |
70 |
93 |
|
[SO4]G:401 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
12552 |
52.9 |
-6.5 |
0.924 |
2 |
0 |
0 |
0.095 |
71 |
94 |
|
[GOL]G:407 |
5 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
12552 |
51.3 |
-0.9 |
0.396 |
1 |
0 |
0 |
0.017 |
72 |
95 |
|
H |
7 |
4 |
12727 |
◊ |
[GOL]F:402 |
x-1,y+1,z |
1_465 |
4 |
1 |
213 |
38.8 |
-0.6 |
0.528 |
0 |
0 |
0 |
0.000 |
73 |
96 |
|
[CL]F:404 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
12579 |
38.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.069 |
74 |
97 |
|
H |
3 |
2 |
12727 |
◊ |
E |
x,y,z-1 |
1_554 |
6 |
2 |
12647 |
37.3 |
1.5 |
0.869 |
1 |
1 |
0 |
0.000 |
75 |
98 |
|
[GOL]H:403 |
2 |
1 |
217 |
f |
[SO4]H:402 |
x,y,z |
1_555 |
3 |
1 |
184 |
31.1 |
-3.9 |
0.796 |
1 |
0 |
0 |
0.047 |
76 |
99 |
|
[PE3]A:406 |
3 |
1 |
385 |
◊ |
H |
x,y,z |
1_555 |
6 |
4 |
12727 |
30.8 |
-0.8 |
0.644 |
0 |
0 |
0 |
0.008 |
77 |
100 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
[GOL]B:403 |
x,y,z |
1_555 |
3 |
1 |
216 |
30.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.046 |
78 |
101 |
|
[CL]C:405 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12598 |
28.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
102 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
[GOL]D:404 |
x,y,z |
1_555 |
2 |
1 |
216 |
27.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.029 |
80 |
103 |
|
[GOL]H:403 |
2 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
12598 |
27.2 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.001 |
81 |
104 |
|
[CL]G:404 |
1 |
1 |
125 |
◊ |
H |
x,y-1,z+1 |
1_546 |
5 |
3 |
12727 |
26.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
105 |
|
[PE3]D:408 |
3 |
1 |
401 |
f |
[GOL]D:402 |
x,y,z |
1_555 |
1 |
1 |
217 |
7.9 |
-0.0 |
0.702 |
0 |
0 |
0 |
0.000 |
|