## |
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 |
|
K |
347 |
93 |
14270 |
◊ |
L |
x,y,z |
1_555 |
346 |
93 |
13403 |
3257.7 |
-33.2 |
0.224 |
38 |
1 |
0 |
0.399 |
2 |
|
E |
354 |
95 |
14301 |
◊ |
F |
x,y,z |
1_555 |
340 |
92 |
13590 |
3244.0 |
-32.9 |
0.233 |
39 |
5 |
0 |
0.399 |
3 |
|
G |
347 |
94 |
14349 |
◊ |
H |
x,y,z |
1_555 |
343 |
93 |
13606 |
3208.5 |
-34.5 |
0.163 |
36 |
1 |
0 |
0.399 |
4 |
|
I |
343 |
94 |
14308 |
◊ |
J |
x,y,z |
1_555 |
342 |
94 |
13338 |
3198.1 |
-35.0 |
0.152 |
40 |
3 |
0 |
0.399 |
5 |
|
C |
343 |
93 |
14206 |
◊ |
D |
x,y,z |
1_555 |
345 |
94 |
13249 |
3195.3 |
-31.7 |
0.260 |
37 |
3 |
0 |
0.399 |
6 |
|
A |
342 |
92 |
14322 |
◊ |
B |
x,y,z |
1_555 |
326 |
90 |
13263 |
3156.6 |
-35.1 |
0.145 |
39 |
5 |
0 |
0.399 |
Average: |
3210.0 |
-33.7 |
0.196 |
38 |
3 |
0 |
0.399 |
2 |
7 |
|
K |
102 |
30 |
14270 |
◊ |
J |
x,y,z |
1_555 |
100 |
28 |
13338 |
1008.4 |
-16.0 |
0.077 |
6 |
2 |
0 |
0.222 |
8 |
|
A |
98 |
30 |
14322 |
◊ |
F |
x,y,z |
1_555 |
99 |
28 |
13590 |
1002.3 |
-16.2 |
0.070 |
6 |
2 |
0 |
0.222 |
9 |
|
C |
98 |
31 |
14206 |
◊ |
B |
x,y,z |
1_555 |
101 |
28 |
13263 |
1002.3 |
-17.1 |
0.052 |
6 |
2 |
0 |
0.222 |
10 |
|
I |
97 |
28 |
14308 |
◊ |
H |
x,y,z |
1_555 |
102 |
28 |
13606 |
1000.8 |
-17.0 |
0.050 |
6 |
2 |
0 |
0.222 |
11 |
|
G |
103 |
31 |
14349 |
◊ |
L |
x,y,z |
1_555 |
102 |
28 |
13403 |
1000.3 |
-16.7 |
0.061 |
5 |
3 |
0 |
0.222 |
12 |
|
E |
99 |
29 |
14301 |
◊ |
D |
x,y,z |
1_555 |
98 |
28 |
13249 |
994.8 |
-17.0 |
0.054 |
6 |
2 |
0 |
0.222 |
Average: |
1001.5 |
-16.7 |
0.061 |
6 |
2 |
0 |
0.222 |
3 |
13 |
|
C |
75 |
22 |
14206 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
14322 |
626.2 |
-9.1 |
0.121 |
5 |
2 |
0 |
0.264 |
14 |
|
I |
71 |
21 |
14308 |
◊ |
G |
x,y,z |
1_555 |
59 |
19 |
14349 |
623.5 |
-10.4 |
0.073 |
5 |
0 |
0 |
0.264 |
15 |
|
K |
59 |
17 |
14270 |
◊ |
G |
x,y,z |
1_555 |
73 |
21 |
14349 |
621.7 |
-9.1 |
0.106 |
6 |
2 |
0 |
0.264 |
16 |
|
E |
57 |
17 |
14301 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
14322 |
621.5 |
-9.5 |
0.095 |
5 |
1 |
0 |
0.264 |
17 |
|
K |
71 |
21 |
14270 |
◊ |
I |
x,y,z |
1_555 |
58 |
17 |
14308 |
620.6 |
-9.3 |
0.093 |
5 |
1 |
0 |
0.264 |
18 |
|
E |
75 |
21 |
14301 |
◊ |
C |
x,y,z |
1_555 |
57 |
17 |
14206 |
615.7 |
-10.1 |
0.083 |
5 |
0 |
0 |
0.264 |
Average: |
621.5 |
-9.6 |
0.095 |
5 |
1 |
0 |
0.264 |
4 |
19 |
|
K |
70 |
17 |
14270 |
◊ |
E |
x,y,z |
1_555 |
72 |
17 |
14301 |
583.6 |
1.8 |
0.846 |
5 |
2 |
0 |
0.000 |
20 |
|
G |
66 |
15 |
14349 |
◊ |
C |
x,y,z |
1_555 |
68 |
16 |
14206 |
563.1 |
0.3 |
0.775 |
6 |
2 |
0 |
0.000 |
21 |
|
I |
66 |
15 |
14308 |
◊ |
A |
x,y,z |
1_555 |
65 |
16 |
14322 |
515.4 |
-0.4 |
0.738 |
5 |
1 |
0 |
0.000 |
Average: |
554.0 |
0.6 |
0.786 |
5 |
2 |
0 |
0.000 |
5 |
22 |
|
F |
45 |
15 |
13590 |
◊ |
D |
x,y,z |
1_555 |
65 |
18 |
13249 |
533.4 |
-10.2 |
0.029 |
0 |
0 |
0 |
0.145 |
23 |
|
L |
64 |
19 |
13403 |
◊ |
H |
x,y,z |
1_555 |
44 |
14 |
13606 |
523.4 |
-9.5 |
0.034 |
0 |
0 |
0 |
0.145 |
24 |
|
F |
57 |
17 |
13590 |
◊ |
B |
x,y,z |
1_555 |
43 |
14 |
13263 |
493.8 |
-8.3 |
0.068 |
1 |
0 |
0 |
0.145 |
25 |
|
L |
41 |
15 |
13403 |
◊ |
J |
x,y,z |
1_555 |
58 |
16 |
13338 |
492.4 |
-8.3 |
0.063 |
0 |
0 |
0 |
0.145 |
26 |
|
J |
44 |
17 |
13338 |
◊ |
H |
x,y,z |
1_555 |
63 |
17 |
13606 |
480.7 |
-8.7 |
0.071 |
0 |
0 |
0 |
0.145 |
27 |
|
D |
44 |
15 |
13249 |
◊ |
B |
x,y,z |
1_555 |
57 |
17 |
13263 |
476.9 |
-8.3 |
0.065 |
0 |
0 |
0 |
0.145 |
Average: |
500.1 |
-8.9 |
0.055 |
0 |
0 |
0 |
0.145 |
6 |
28 |
|
J |
46 |
13 |
13338 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
46 |
12 |
14322 |
434.8 |
0.9 |
0.836 |
6 |
0 |
0 |
0.000 |
7 |
29 |
|
L |
49 |
16 |
13403 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
48 |
18 |
14206 |
418.6 |
0.4 |
0.800 |
4 |
8 |
0 |
0.000 |
8 |
30 |
|
[ATP]I:301 |
31 |
1 |
640 |
f |
I |
x,y,z |
1_555 |
65 |
27 |
14308 |
411.7 |
-1.9 |
0.622 |
13 |
0 |
0 |
0.164 |
31 |
|
[ATP]C:302 |
31 |
1 |
643 |
f |
C |
x,y,z |
1_555 |
64 |
27 |
14206 |
411.1 |
-1.8 |
0.635 |
12 |
0 |
0 |
0.164 |
32 |
|
[ATP]K:301 |
31 |
1 |
637 |
f |
K |
x,y,z |
1_555 |
66 |
27 |
14270 |
409.3 |
-1.9 |
0.624 |
12 |
0 |
0 |
0.164 |
33 |
|
[ATP]A:301 |
31 |
1 |
639 |
f |
A |
x,y,z |
1_555 |
64 |
27 |
14322 |
408.7 |
-1.9 |
0.618 |
12 |
0 |
0 |
0.164 |
34 |
|
[ATP]E:301 |
31 |
1 |
639 |
f |
E |
x,y,z |
1_555 |
64 |
27 |
14301 |
408.6 |
-1.8 |
0.622 |
12 |
0 |
0 |
0.164 |
35 |
|
[ATP]G:301 |
31 |
1 |
640 |
f |
G |
x,y,z |
1_555 |
67 |
27 |
14349 |
408.1 |
-1.8 |
0.609 |
13 |
0 |
0 |
0.164 |
Average: |
409.6 |
-1.8 |
0.622 |
12 |
0 |
0 |
0.164 |
9 |
36 |
|
E |
32 |
9 |
14301 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
46 |
15 |
13263 |
368.6 |
0.4 |
0.771 |
8 |
2 |
0 |
0.000 |
10 |
37 |
|
[8M0]F:303 |
29 |
1 |
591 |
f |
F |
x,y,z |
1_555 |
40 |
19 |
13590 |
326.0 |
-11.2 |
0.464 |
2 |
0 |
0 |
0.190 |
38 |
|
[8M0]H:303 |
31 |
1 |
588 |
f |
H |
x,y,z |
1_555 |
37 |
16 |
13606 |
319.5 |
-12.6 |
0.337 |
1 |
0 |
0 |
0.190 |
39 |
|
[8M0]L:303 |
32 |
1 |
580 |
f |
L |
x,y,z |
1_555 |
39 |
17 |
13403 |
318.2 |
-11.6 |
0.454 |
0 |
0 |
0 |
0.190 |
40 |
|
[8M0]J:302 |
29 |
1 |
581 |
f |
J |
x,y,z |
1_555 |
37 |
17 |
13338 |
306.8 |
-11.2 |
0.437 |
0 |
0 |
0 |
0.190 |
41 |
|
[8M0]B:303 |
27 |
1 |
588 |
f |
B |
x,y,z |
1_555 |
34 |
15 |
13263 |
278.3 |
-10.5 |
0.472 |
1 |
0 |
0 |
0.190 |
42 |
|
[8M0]C:301 |
27 |
1 |
586 |
f |
D |
x,y,z |
1_555 |
35 |
15 |
13249 |
269.3 |
-10.5 |
0.463 |
1 |
0 |
0 |
0.190 |
Average: |
303.0 |
-11.3 |
0.438 |
1 |
0 |
0 |
0.190 |
11 |
43 |
|
[ADP]J:301 |
26 |
1 |
568 |
f |
J |
x,y,z |
1_555 |
64 |
25 |
13338 |
322.6 |
-3.2 |
0.737 |
14 |
0 |
0 |
0.149 |
44 |
|
[ADP]D:301 |
26 |
1 |
567 |
f |
D |
x,y,z |
1_555 |
66 |
24 |
13249 |
314.8 |
-3.3 |
0.742 |
14 |
0 |
0 |
0.149 |
45 |
|
[ADP]L:301 |
26 |
1 |
568 |
f |
L |
x,y,z |
1_555 |
65 |
24 |
13403 |
313.9 |
-3.1 |
0.741 |
15 |
0 |
0 |
0.149 |
46 |
|
[ADP]H:301 |
26 |
1 |
567 |
f |
H |
x,y,z |
1_555 |
64 |
24 |
13606 |
313.2 |
-3.2 |
0.717 |
13 |
0 |
0 |
0.149 |
47 |
|
[ADP]F:301 |
25 |
1 |
568 |
f |
F |
x,y,z |
1_555 |
63 |
24 |
13590 |
312.1 |
-3.0 |
0.737 |
13 |
0 |
0 |
0.149 |
48 |
|
[ADP]B:301 |
26 |
1 |
569 |
f |
B |
x,y,z |
1_555 |
62 |
24 |
13263 |
310.8 |
-3.1 |
0.730 |
15 |
0 |
0 |
0.149 |
Average: |
314.6 |
-3.1 |
0.734 |
14 |
0 |
0 |
0.149 |
12 |
49 |
|
[8M0]C:304 |
27 |
1 |
567 |
f |
C |
x,y,z |
1_555 |
38 |
14 |
14206 |
311.5 |
-6.6 |
0.785 |
2 |
0 |
0 |
0.165 |
50 |
|
[8M0]A:303 |
27 |
1 |
568 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
14322 |
311.4 |
-6.5 |
0.790 |
2 |
0 |
0 |
0.165 |
51 |
|
[8M0]G:303 |
26 |
1 |
564 |
f |
G |
x,y,z |
1_555 |
38 |
14 |
14349 |
310.6 |
-6.4 |
0.769 |
2 |
0 |
0 |
0.165 |
52 |
|
[8M0]E:303 |
26 |
1 |
570 |
f |
E |
x,y,z |
1_555 |
36 |
14 |
14301 |
310.3 |
-6.9 |
0.746 |
2 |
0 |
0 |
0.165 |
53 |
|
[8M0]K:303 |
26 |
1 |
568 |
f |
K |
x,y,z |
1_555 |
37 |
13 |
14270 |
309.8 |
-6.2 |
0.810 |
2 |
0 |
0 |
0.165 |
54 |
|
[8M0]I:303 |
26 |
1 |
565 |
f |
I |
x,y,z |
1_555 |
38 |
14 |
14308 |
308.0 |
-6.8 |
0.747 |
2 |
0 |
0 |
0.165 |
Average: |
310.3 |
-6.6 |
0.774 |
2 |
0 |
0 |
0.165 |
13 |
55 |
|
G |
18 |
6 |
14349 |
◊ |
D |
x-1/2,-y-1/2,-z-1 |
4_444 |
25 |
9 |
13249 |
215.7 |
1.7 |
0.742 |
5 |
0 |
0 |
0.000 |
14 |
56 |
|
L |
23 |
5 |
13403 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
18 |
6 |
14349 |
184.0 |
-0.8 |
0.579 |
1 |
2 |
0 |
0.000 |
15 |
57 |
|
[LJB]L:306 |
21 |
1 |
578 |
f |
L |
x,y,z |
1_555 |
21 |
10 |
13403 |
179.9 |
-11.9 |
0.253 |
5 |
0 |
0 |
0.135 |
16 |
58 |
|
F |
23 |
7 |
13590 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
22 |
6 |
13263 |
174.7 |
-1.0 |
0.635 |
1 |
1 |
0 |
0.000 |
17 |
59 |
|
[LJB]L:306 |
20 |
1 |
578 |
◊ |
H |
x,y,z |
1_555 |
20 |
7 |
13606 |
165.6 |
-3.8 |
0.476 |
4 |
0 |
0 |
0.029 |
18 |
60 |
|
[8M0]B:303 |
17 |
1 |
588 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
14322 |
151.5 |
-2.9 |
0.565 |
1 |
0 |
0 |
0.025 |
61 |
|
[8M0]H:303 |
18 |
1 |
588 |
◊ |
G |
x,y,z |
1_555 |
18 |
6 |
14349 |
149.6 |
-2.7 |
0.567 |
1 |
0 |
0 |
0.025 |
62 |
|
[8M0]C:301 |
18 |
1 |
586 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
14206 |
148.3 |
-2.8 |
0.561 |
1 |
0 |
0 |
0.025 |
63 |
|
[8M0]L:303 |
17 |
1 |
580 |
◊ |
K |
x,y,z |
1_555 |
14 |
5 |
14270 |
147.1 |
-0.9 |
0.889 |
1 |
0 |
0 |
0.025 |
64 |
|
[8M0]J:302 |
18 |
1 |
581 |
◊ |
I |
x,y,z |
1_555 |
17 |
6 |
14308 |
145.6 |
-2.8 |
0.567 |
1 |
0 |
0 |
0.025 |
65 |
|
[8M0]F:303 |
16 |
1 |
591 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
14301 |
141.8 |
-2.7 |
0.550 |
1 |
0 |
0 |
0.025 |
Average: |
147.3 |
-2.5 |
0.616 |
1 |
0 |
0 |
0.025 |
19 |
66 |
|
[LJB]B:306 |
17 |
1 |
588 |
◊ |
D |
x,y,z |
1_555 |
20 |
10 |
13249 |
150.6 |
-3.7 |
0.542 |
6 |
0 |
0 |
0.034 |
20 |
67 |
|
[LJB]B:306 |
18 |
1 |
588 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
13263 |
148.9 |
-7.2 |
0.474 |
5 |
0 |
0 |
0.050 |
21 |
68 |
|
[LJB]B:306 |
16 |
1 |
588 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
13590 |
146.8 |
-9.6 |
0.264 |
2 |
0 |
0 |
0.104 |
22 |
69 |
|
[LJB]L:306 |
17 |
1 |
578 |
◊ |
J |
x,y,z |
1_555 |
20 |
11 |
13338 |
141.6 |
-5.8 |
0.408 |
2 |
0 |
0 |
0.035 |
23 |
70 |
|
[LHW]C:305 |
15 |
1 |
668 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
14206 |
134.0 |
-7.1 |
0.355 |
6 |
0 |
0 |
0.092 |
71 |
|
[LHW]K:304 |
14 |
1 |
656 |
f |
K |
x,y,z |
1_555 |
14 |
4 |
14270 |
125.4 |
-6.7 |
0.339 |
3 |
0 |
0 |
0.092 |
Average: |
129.7 |
-6.9 |
0.347 |
5 |
0 |
0 |
0.092 |
24 |
72 |
|
[LHW]K:304 |
15 |
1 |
656 |
◊ |
G |
x,y,z |
1_555 |
15 |
4 |
14349 |
133.8 |
-0.9 |
0.719 |
4 |
0 |
0 |
0.020 |
73 |
|
[LHW]C:305 |
14 |
1 |
668 |
◊ |
E |
x,y,z |
1_555 |
17 |
4 |
14301 |
129.1 |
-0.7 |
0.724 |
4 |
0 |
0 |
0.020 |
Average: |
131.5 |
-0.8 |
0.722 |
4 |
0 |
0 |
0.020 |
25 |
74 |
|
[LHW]C:305 |
15 |
1 |
668 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
14322 |
127.0 |
-2.7 |
0.664 |
3 |
0 |
0 |
0.029 |
75 |
|
[LHW]K:304 |
15 |
1 |
656 |
◊ |
I |
x,y,z |
1_555 |
14 |
4 |
14308 |
122.3 |
-1.8 |
0.697 |
4 |
0 |
0 |
0.029 |
Average: |
124.7 |
-2.2 |
0.681 |
4 |
0 |
0 |
0.029 |
26 |
76 |
|
F |
14 |
5 |
13590 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
15 |
4 |
14322 |
118.8 |
1.1 |
0.704 |
2 |
3 |
0 |
0.000 |
27 |
77 |
|
K |
9 |
3 |
14270 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
4 |
14349 |
91.7 |
0.9 |
0.699 |
1 |
1 |
0 |
0.000 |
28 |
78 |
|
[M10]A:304 |
8 |
1 |
347 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
14322 |
90.9 |
-0.6 |
0.650 |
0 |
0 |
0 |
0.004 |
29 |
79 |
|
I |
13 |
4 |
14308 |
◊ |
L |
x,y,z |
1_555 |
7 |
4 |
13403 |
90.1 |
-0.1 |
0.533 |
1 |
1 |
0 |
0.004 |
80 |
|
E |
10 |
4 |
14301 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13263 |
77.5 |
-0.1 |
0.562 |
1 |
1 |
0 |
0.004 |
81 |
|
K |
10 |
3 |
14270 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
13606 |
75.1 |
-0.0 |
0.605 |
1 |
2 |
0 |
0.004 |
82 |
|
C |
10 |
3 |
14206 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
13590 |
74.5 |
0.1 |
0.651 |
1 |
1 |
0 |
0.004 |
83 |
|
A |
10 |
3 |
14322 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
13249 |
68.8 |
-0.1 |
0.572 |
1 |
1 |
0 |
0.004 |
84 |
|
G |
12 |
4 |
14349 |
◊ |
J |
x,y,z |
1_555 |
9 |
3 |
13338 |
67.4 |
0.0 |
0.636 |
1 |
1 |
0 |
0.004 |
Average: |
75.6 |
-0.0 |
0.593 |
1 |
1 |
0 |
0.004 |
30 |
85 |
|
[M10]G:304 |
8 |
1 |
348 |
◊ |
G |
x,y,z |
1_555 |
15 |
5 |
14349 |
89.3 |
-0.9 |
0.581 |
0 |
0 |
0 |
0.007 |
31 |
86 |
|
[M10]A:304 |
8 |
1 |
347 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
14301 |
87.9 |
-2.3 |
0.448 |
0 |
0 |
0 |
0.016 |
32 |
87 |
|
[M10]G:304 |
8 |
1 |
348 |
◊ |
K |
x,y,z |
1_555 |
15 |
5 |
14270 |
87.3 |
-1.7 |
0.486 |
0 |
0 |
0 |
0.012 |
33 |
88 |
|
[M10]G:304 |
8 |
1 |
348 |
f |
I |
x,y,z |
1_555 |
16 |
6 |
14308 |
86.9 |
-3.1 |
0.393 |
0 |
0 |
0 |
0.032 |
34 |
89 |
|
[M10]A:304 |
8 |
1 |
347 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
14206 |
84.4 |
-1.7 |
0.520 |
0 |
0 |
0 |
0.016 |
35 |
90 |
|
[MOO]J:304 |
5 |
1 |
202 |
f |
J |
x,y,z |
1_555 |
19 |
10 |
13338 |
84.0 |
-0.9 |
0.692 |
0 |
0 |
0 |
0.010 |
36 |
91 |
|
[MOO]D:303 |
5 |
1 |
201 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
13249 |
79.7 |
-0.9 |
0.684 |
0 |
0 |
0 |
0.010 |
37 |
92 |
|
[MOO]F:304 |
5 |
1 |
202 |
f |
F |
x,y,z |
1_555 |
19 |
10 |
13590 |
78.6 |
-0.9 |
0.683 |
0 |
0 |
0 |
0.009 |
38 |
93 |
|
[MOO]L:304 |
5 |
1 |
200 |
f |
L |
x,y,z |
1_555 |
19 |
10 |
13403 |
77.9 |
-0.9 |
0.685 |
0 |
0 |
0 |
0.008 |
39 |
94 |
|
[MOO]H:304 |
5 |
1 |
202 |
f |
H |
x,y,z |
1_555 |
20 |
11 |
13606 |
77.3 |
-0.9 |
0.689 |
0 |
0 |
0 |
0.009 |
40 |
95 |
|
[MOO]B:304 |
5 |
1 |
201 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
13263 |
76.4 |
-0.9 |
0.682 |
0 |
0 |
0 |
0.008 |
41 |
96 |
|
[PO4]F:305 |
5 |
1 |
190 |
f |
F |
x,y,z |
1_555 |
25 |
14 |
13590 |
69.9 |
-3.8 |
0.815 |
7 |
0 |
0 |
0.069 |
42 |
97 |
|
[PO4]L:305 |
5 |
1 |
189 |
f |
L |
x,y,z |
1_555 |
24 |
13 |
13403 |
69.6 |
-3.8 |
0.809 |
7 |
0 |
0 |
0.066 |
43 |
98 |
|
[PO4]D:304 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
23 |
12 |
13249 |
68.8 |
-3.8 |
0.812 |
7 |
0 |
0 |
0.077 |
44 |
99 |
|
[PO4]B:305 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
13263 |
68.1 |
-3.8 |
0.812 |
7 |
0 |
0 |
0.065 |
45 |
100 |
|
[PO4]H:305 |
5 |
1 |
188 |
f |
H |
x,y,z |
1_555 |
25 |
14 |
13606 |
68.1 |
-3.7 |
0.813 |
7 |
0 |
0 |
0.071 |
46 |
101 |
|
[ADP]J:301 |
9 |
1 |
568 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
14308 |
64.3 |
-1.6 |
0.412 |
0 |
0 |
0 |
0.012 |
102 |
|
[ADP]F:301 |
10 |
1 |
568 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
14301 |
64.0 |
-1.5 |
0.432 |
0 |
0 |
0 |
0.012 |
103 |
|
[ADP]L:301 |
9 |
1 |
568 |
◊ |
K |
x,y,z |
1_555 |
11 |
5 |
14270 |
63.7 |
-1.5 |
0.435 |
0 |
0 |
0 |
0.012 |
104 |
|
[ADP]B:301 |
9 |
1 |
569 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
14322 |
63.3 |
-1.5 |
0.405 |
0 |
0 |
0 |
0.012 |
105 |
|
[ADP]D:301 |
10 |
1 |
567 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14206 |
63.2 |
-1.6 |
0.434 |
0 |
0 |
0 |
0.012 |
106 |
|
[ADP]H:301 |
9 |
1 |
567 |
◊ |
G |
x,y,z |
1_555 |
11 |
5 |
14349 |
61.9 |
-1.5 |
0.415 |
0 |
0 |
0 |
0.012 |
Average: |
63.4 |
-1.5 |
0.422 |
0 |
0 |
0 |
0.012 |
47 |
107 |
|
[LHW]C:305 |
10 |
1 |
668 |
f |
[M10]A:304 |
x,y,z |
1_555 |
9 |
1 |
347 |
61.3 |
-3.1 |
0.644 |
0 |
0 |
0 |
0.030 |
48 |
108 |
|
[LHW]K:304 |
9 |
1 |
656 |
◊ |
[M10]G:304 |
x,y,z |
1_555 |
9 |
1 |
348 |
60.9 |
-2.3 |
0.642 |
0 |
0 |
0 |
0.017 |
49 |
109 |
|
[PO4]J:305 |
5 |
1 |
189 |
f |
J |
x,y,z |
1_555 |
18 |
10 |
13338 |
59.9 |
-3.8 |
0.778 |
7 |
0 |
0 |
0.071 |
50 |
110 |
|
[ATP]G:301 |
9 |
1 |
640 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
13606 |
53.5 |
-0.8 |
0.456 |
0 |
0 |
0 |
0.007 |
111 |
|
[ATP]E:301 |
9 |
1 |
639 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
13590 |
52.5 |
-0.9 |
0.443 |
0 |
0 |
0 |
0.007 |
112 |
|
[ATP]C:302 |
9 |
1 |
643 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
13249 |
51.7 |
-0.9 |
0.462 |
0 |
0 |
0 |
0.007 |
113 |
|
[ATP]A:301 |
9 |
1 |
639 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13263 |
51.6 |
-0.7 |
0.473 |
0 |
0 |
0 |
0.007 |
114 |
|
[ATP]K:301 |
9 |
1 |
637 |
◊ |
L |
x,y,z |
1_555 |
9 |
3 |
13403 |
50.4 |
-0.8 |
0.479 |
0 |
0 |
0 |
0.007 |
115 |
|
[ATP]I:301 |
9 |
1 |
640 |
◊ |
J |
x,y,z |
1_555 |
9 |
3 |
13338 |
49.9 |
-0.9 |
0.457 |
0 |
0 |
0 |
0.007 |
Average: |
51.6 |
-0.8 |
0.462 |
0 |
0 |
0 |
0.007 |
51 |
116 |
|
[PO4]J:305 |
5 |
1 |
189 |
f |
[MOO]J:304 |
x,y,z |
1_555 |
5 |
1 |
202 |
48.8 |
-3.7 |
0.764 |
0 |
0 |
0 |
0.038 |
52 |
117 |
|
H |
5 |
2 |
13606 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
14308 |
46.9 |
1.2 |
0.873 |
1 |
2 |
0 |
0.000 |
53 |
118 |
|
[PO4]B:305 |
5 |
1 |
190 |
f |
[MOO]B:304 |
x,y,z |
1_555 |
4 |
1 |
201 |
41.9 |
-2.5 |
0.811 |
0 |
0 |
0 |
0.024 |
54 |
119 |
|
[PO4]D:304 |
4 |
1 |
189 |
f |
[MOO]D:303 |
x,y,z |
1_555 |
4 |
1 |
201 |
41.7 |
-2.5 |
0.756 |
0 |
0 |
0 |
0.028 |
55 |
120 |
|
[PO4]L:305 |
4 |
1 |
189 |
f |
[MOO]L:304 |
x,y,z |
1_555 |
4 |
1 |
200 |
41.5 |
-2.9 |
0.756 |
0 |
0 |
0 |
0.028 |
56 |
121 |
|
[PO4]F:305 |
4 |
1 |
190 |
f |
[MOO]F:304 |
x,y,z |
1_555 |
4 |
1 |
202 |
41.5 |
-2.8 |
0.756 |
0 |
0 |
0 |
0.028 |
57 |
122 |
|
[PO4]H:305 |
5 |
1 |
188 |
f |
[MOO]H:304 |
x,y,z |
1_555 |
4 |
1 |
202 |
41.2 |
-2.8 |
0.811 |
0 |
0 |
0 |
0.029 |
58 |
123 |
|
G |
6 |
4 |
14349 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
14301 |
40.4 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
124 |
|
K |
4 |
3 |
14270 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
14322 |
26.2 |
-0.2 |
0.551 |
0 |
0 |
0 |
0.000 |
125 |
|
I |
4 |
3 |
14308 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
14206 |
25.8 |
-0.2 |
0.552 |
0 |
0 |
0 |
0.000 |
Average: |
30.8 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
59 |
126 |
|
K |
4 |
2 |
14270 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
3 |
13606 |
40.4 |
-0.8 |
0.347 |
0 |
0 |
0 |
0.000 |
60 |
127 |
|
[MG]G:302 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
5 |
14349 |
36.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
128 |
|
[MG]K:302 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
5 |
14270 |
36.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.115 |
129 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
14206 |
36.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
130 |
|
[MG]E:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
5 |
14301 |
36.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
131 |
|
[MG]I:302 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
6 |
5 |
14308 |
36.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
132 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
14322 |
36.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
36.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
61 |
133 |
|
[MG]J:303 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
10 |
7 |
13338 |
35.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.039 |
134 |
|
[MG]F:302 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
13590 |
32.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.039 |
135 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
13249 |
32.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.039 |
136 |
|
[MG]H:302 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
7 |
13606 |
32.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.039 |
137 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
13263 |
32.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.039 |
138 |
|
[MG]L:302 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
7 |
13403 |
32.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
33.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.039 |
62 |
139 |
|
[ATP]E:301 |
5 |
1 |
639 |
f |
[MG]E:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.120 |
140 |
|
[ATP]K:301 |
5 |
1 |
637 |
f |
[MG]K:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.120 |
141 |
|
[ATP]A:301 |
5 |
1 |
639 |
f |
[MG]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.120 |
142 |
|
[ATP]I:301 |
5 |
1 |
640 |
f |
[MG]I:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.120 |
143 |
|
[ATP]C:302 |
5 |
1 |
643 |
f |
[MG]C:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.120 |
144 |
|
[ATP]G:301 |
5 |
1 |
640 |
f |
[MG]G:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
34.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.120 |
63 |
145 |
|
[8M0]C:304 |
4 |
1 |
567 |
◊ |
[8M0]C:301 |
x,y,z |
1_555 |
4 |
1 |
586 |
34.8 |
-2.0 |
0.544 |
0 |
0 |
0 |
0.015 |
146 |
|
[8M0]H:303 |
4 |
1 |
588 |
◊ |
[8M0]G:303 |
x,y,z |
1_555 |
4 |
1 |
564 |
34.4 |
-2.0 |
0.544 |
0 |
0 |
0 |
0.015 |
147 |
|
[8M0]L:303 |
4 |
1 |
580 |
◊ |
[8M0]K:303 |
x,y,z |
1_555 |
4 |
1 |
568 |
34.2 |
-2.0 |
0.561 |
0 |
0 |
0 |
0.015 |
148 |
|
[8M0]B:303 |
4 |
1 |
588 |
◊ |
[8M0]A:303 |
x,y,z |
1_555 |
4 |
1 |
568 |
34.0 |
-2.0 |
0.560 |
0 |
0 |
0 |
0.015 |
149 |
|
[8M0]J:302 |
4 |
1 |
581 |
◊ |
[8M0]I:303 |
x,y,z |
1_555 |
4 |
1 |
565 |
33.5 |
-2.0 |
0.555 |
0 |
0 |
0 |
0.015 |
150 |
|
[8M0]F:303 |
4 |
1 |
591 |
◊ |
[8M0]E:303 |
x,y,z |
1_555 |
4 |
1 |
570 |
33.2 |
-2.0 |
0.570 |
0 |
0 |
0 |
0.015 |
Average: |
34.0 |
-2.0 |
0.556 |
0 |
0 |
0 |
0.015 |
64 |
151 |
|
[LHW]C:305 |
5 |
1 |
668 |
f |
[8M0]C:304 |
x,y,z |
1_555 |
5 |
1 |
567 |
33.7 |
-1.3 |
0.712 |
0 |
0 |
0 |
0.013 |
152 |
|
[LHW]K:304 |
4 |
1 |
656 |
f |
[8M0]K:303 |
x,y,z |
1_555 |
5 |
1 |
568 |
31.2 |
-1.2 |
0.675 |
0 |
0 |
0 |
0.013 |
Average: |
32.5 |
-1.2 |
0.693 |
0 |
0 |
0 |
0.013 |
65 |
153 |
|
D |
2 |
1 |
13249 |
◊ |
K |
-x+1/2,-y-1,z-1/2 |
2_544 |
5 |
2 |
14270 |
32.2 |
-0.2 |
0.315 |
0 |
0 |
0 |
0.000 |
66 |
154 |
|
[LHW]K:304 |
4 |
1 |
656 |
◊ |
[8M0]G:303 |
x,y,z |
1_555 |
5 |
1 |
564 |
32.2 |
-0.5 |
0.746 |
0 |
0 |
0 |
0.004 |
155 |
|
[LHW]C:305 |
4 |
1 |
668 |
◊ |
[8M0]E:303 |
x,y,z |
1_555 |
4 |
1 |
570 |
31.8 |
-0.5 |
0.730 |
0 |
0 |
0 |
0.004 |
Average: |
32.0 |
-0.5 |
0.738 |
0 |
0 |
0 |
0.004 |
67 |
156 |
|
[PO4]F:305 |
3 |
1 |
190 |
f |
[ADP]F:301 |
x,y,z |
1_555 |
4 |
1 |
568 |
30.5 |
-2.8 |
0.517 |
0 |
0 |
0 |
0.028 |
68 |
157 |
|
[PO4]B:305 |
3 |
1 |
190 |
f |
[ADP]B:301 |
x,y,z |
1_555 |
4 |
1 |
569 |
30.4 |
-2.8 |
0.507 |
0 |
0 |
0 |
0.027 |
69 |
158 |
|
[PO4]H:305 |
3 |
1 |
188 |
f |
[ADP]H:301 |
x,y,z |
1_555 |
4 |
1 |
567 |
30.2 |
-2.7 |
0.507 |
0 |
0 |
0 |
0.029 |
70 |
159 |
|
D |
6 |
1 |
13249 |
◊ |
I |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
14308 |
30.1 |
0.5 |
0.776 |
0 |
0 |
0 |
0.000 |
71 |
160 |
|
[PO4]L:305 |
3 |
1 |
189 |
f |
[ADP]L:301 |
x,y,z |
1_555 |
4 |
1 |
568 |
29.7 |
-2.7 |
0.519 |
0 |
0 |
0 |
0.026 |
72 |
161 |
|
[PO4]D:304 |
3 |
1 |
189 |
f |
[ADP]D:301 |
x,y,z |
1_555 |
4 |
1 |
567 |
28.8 |
-2.8 |
0.506 |
0 |
0 |
0 |
0.031 |
73 |
162 |
|
[MG]J:303 |
1 |
1 |
98 |
f |
[ADP]J:301 |
x,y,z |
1_555 |
5 |
1 |
568 |
26.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.062 |
163 |
|
[MG]L:302 |
1 |
1 |
98 |
f |
[ADP]L:301 |
x,y,z |
1_555 |
5 |
1 |
568 |
25.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.062 |
164 |
|
[MG]F:302 |
1 |
1 |
98 |
f |
[ADP]F:301 |
x,y,z |
1_555 |
4 |
1 |
568 |
25.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.062 |
165 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
[ADP]B:301 |
x,y,z |
1_555 |
5 |
1 |
569 |
25.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.062 |
166 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[ADP]D:301 |
x,y,z |
1_555 |
5 |
1 |
567 |
24.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.062 |
167 |
|
[MG]H:302 |
1 |
1 |
98 |
f |
[ADP]H:301 |
x,y,z |
1_555 |
4 |
1 |
567 |
24.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
25.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.062 |
74 |
168 |
|
[LHW]K:304 |
5 |
1 |
656 |
◊ |
[8M0]I:303 |
x,y,z |
1_555 |
5 |
1 |
565 |
25.4 |
-0.4 |
0.791 |
0 |
0 |
0 |
0.003 |
169 |
|
[LHW]C:305 |
4 |
1 |
668 |
◊ |
[8M0]A:303 |
x,y,z |
1_555 |
3 |
1 |
568 |
19.6 |
-0.1 |
0.752 |
0 |
0 |
0 |
0.003 |
Average: |
22.5 |
-0.3 |
0.772 |
0 |
0 |
0 |
0.003 |
75 |
170 |
|
[MOO]D:303 |
4 |
1 |
201 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
14206 |
22.9 |
-0.3 |
0.522 |
0 |
0 |
0 |
0.002 |
76 |
171 |
|
[MOO]L:304 |
2 |
1 |
200 |
◊ |
K |
x,y,z |
1_555 |
4 |
3 |
14270 |
22.5 |
-0.3 |
0.495 |
0 |
0 |
0 |
0.002 |
77 |
172 |
|
[MOO]H:304 |
3 |
1 |
202 |
◊ |
G |
x,y,z |
1_555 |
4 |
3 |
14349 |
22.0 |
-0.3 |
0.549 |
0 |
0 |
0 |
0.002 |
78 |
173 |
|
[MOO]B:304 |
3 |
1 |
201 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
14322 |
21.4 |
-0.8 |
0.466 |
0 |
0 |
0 |
0.006 |
79 |
174 |
|
[MOO]F:304 |
3 |
1 |
202 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
14301 |
21.3 |
-0.3 |
0.493 |
0 |
0 |
0 |
0.002 |
80 |
175 |
|
[MOO]J:304 |
3 |
1 |
202 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
14308 |
20.6 |
-0.9 |
0.419 |
0 |
0 |
0 |
0.006 |
81 |
176 |
|
E |
5 |
3 |
14301 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
3 |
13606 |
19.8 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
82 |
177 |
|
[MOO]B:304 |
4 |
1 |
201 |
f |
[ADP]B:301 |
x,y,z |
1_555 |
4 |
1 |
569 |
17.4 |
-1.3 |
0.541 |
0 |
0 |
0 |
0.012 |
83 |
178 |
|
[PO4]J:305 |
4 |
1 |
189 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
14308 |
16.7 |
-0.9 |
0.551 |
0 |
0 |
0 |
0.006 |
84 |
179 |
|
[MOO]J:304 |
4 |
1 |
202 |
f |
[ADP]J:301 |
x,y,z |
1_555 |
4 |
1 |
568 |
16.6 |
-1.2 |
0.553 |
0 |
0 |
0 |
0.012 |
85 |
180 |
|
[PO4]H:305 |
4 |
1 |
188 |
f |
[MG]H:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.026 |
181 |
|
[PO4]B:305 |
4 |
1 |
190 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
16.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.026 |
86 |
182 |
|
[PO4]F:305 |
3 |
1 |
190 |
f |
[MG]F:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.024 |
87 |
183 |
|
[MOO]H:304 |
4 |
1 |
202 |
f |
[ADP]H:301 |
x,y,z |
1_555 |
4 |
1 |
567 |
16.1 |
-1.3 |
0.553 |
0 |
0 |
0 |
0.013 |
88 |
184 |
|
[PO4]L:305 |
3 |
1 |
189 |
f |
[MG]L:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.022 |
89 |
185 |
|
[MOO]L:304 |
4 |
1 |
200 |
f |
[ADP]L:301 |
x,y,z |
1_555 |
4 |
1 |
568 |
15.6 |
-1.2 |
0.561 |
0 |
0 |
0 |
0.011 |
90 |
186 |
|
[MG]D:302 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14206 |
15.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
187 |
|
[MG]L:302 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
14270 |
15.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
188 |
|
[MG]B:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14322 |
14.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
189 |
|
[MG]H:302 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
14349 |
14.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
190 |
|
[MG]F:302 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
14301 |
14.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
191 |
|
[MG]J:303 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
14308 |
13.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
14.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
91 |
192 |
|
[PO4]D:304 |
4 |
1 |
189 |
f |
[MG]D:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.026 |
92 |
193 |
|
[MOO]F:304 |
4 |
1 |
202 |
f |
[ADP]F:301 |
x,y,z |
1_555 |
4 |
1 |
568 |
14.8 |
-1.2 |
0.568 |
0 |
0 |
0 |
0.012 |
93 |
194 |
|
[MOO]D:303 |
4 |
1 |
201 |
f |
[ADP]D:301 |
x,y,z |
1_555 |
4 |
1 |
567 |
14.5 |
-1.1 |
0.565 |
0 |
0 |
0 |
0.012 |
94 |
195 |
|
H |
6 |
3 |
13606 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
3 |
3 |
13338 |
14.4 |
-0.3 |
0.483 |
0 |
0 |
0 |
0.000 |
95 |
196 |
|
[PO4]J:305 |
4 |
1 |
189 |
f |
[ADP]J:301 |
x,y,z |
1_555 |
4 |
1 |
568 |
12.9 |
-1.2 |
0.684 |
0 |
0 |
0 |
0.013 |
96 |
197 |
|
[8M0]I:303 |
2 |
1 |
565 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
13606 |
12.6 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
198 |
|
[8M0]C:304 |
1 |
1 |
567 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13263 |
12.0 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
199 |
|
[8M0]G:303 |
2 |
1 |
564 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
13403 |
11.9 |
0.2 |
0.751 |
0 |
0 |
0 |
0.000 |
200 |
|
[8M0]K:303 |
2 |
1 |
568 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
13338 |
11.8 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
201 |
|
[8M0]A:303 |
1 |
1 |
568 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
13590 |
11.6 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
202 |
|
[8M0]E:303 |
2 |
1 |
570 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13249 |
11.0 |
0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
Average: |
11.8 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
97 |
203 |
|
E |
4 |
1 |
14301 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
14322 |
12.4 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
98 |
204 |
|
[MOO]J:304 |
3 |
1 |
202 |
f |
[MG]J:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.022 |
205 |
|
[MOO]H:304 |
3 |
1 |
202 |
f |
[MG]H:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.022 |
206 |
|
[MOO]L:304 |
3 |
1 |
200 |
f |
[MG]L:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
11.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.022 |
99 |
207 |
|
[MOO]D:303 |
3 |
1 |
201 |
f |
[MG]D:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
100 |
208 |
|
[MOO]B:304 |
3 |
1 |
201 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.013 |
101 |
209 |
|
[PO4]D:304 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
14206 |
10.8 |
-0.5 |
0.757 |
0 |
0 |
0 |
0.003 |
102 |
210 |
|
[MOO]F:304 |
3 |
1 |
202 |
f |
[MG]F:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
103 |
211 |
|
[PO4]B:305 |
3 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
14322 |
10.4 |
-0.5 |
0.739 |
0 |
0 |
0 |
0.003 |
104 |
212 |
|
[PO4]H:305 |
3 |
1 |
188 |
◊ |
G |
x,y,z |
1_555 |
3 |
3 |
14349 |
9.8 |
-0.4 |
0.747 |
0 |
0 |
0 |
0.003 |
105 |
213 |
|
[PO4]J:305 |
4 |
1 |
189 |
f |
[MG]J:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
106 |
214 |
|
[PO4]L:305 |
3 |
1 |
189 |
◊ |
K |
x,y,z |
1_555 |
3 |
3 |
14270 |
9.3 |
-0.4 |
0.757 |
0 |
0 |
0 |
0.003 |
107 |
215 |
|
[8M0]C:304 |
2 |
1 |
567 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14322 |
8.7 |
0.2 |
0.816 |
0 |
0 |
0 |
0.000 |
216 |
|
[8M0]I:303 |
1 |
1 |
565 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
14349 |
5.6 |
0.2 |
0.719 |
0 |
0 |
0 |
0.000 |
217 |
|
[8M0]A:303 |
1 |
1 |
568 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
14301 |
5.0 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
218 |
|
[8M0]G:303 |
1 |
1 |
564 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
14270 |
2.3 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
219 |
|
[8M0]E:303 |
1 |
1 |
570 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14206 |
0.8 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
Average: |
4.5 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
108 |
220 |
|
[PO4]F:305 |
3 |
1 |
190 |
◊ |
E |
x,y,z |
1_555 |
3 |
3 |
14301 |
8.1 |
-0.3 |
0.771 |
0 |
0 |
0 |
0.002 |
109 |
221 |
|
H |
1 |
1 |
13606 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
13590 |
8.0 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
110 |
222 |
|
E |
1 |
1 |
14301 |
◊ |
J |
-x+1/2,-y-1,z-1/2 |
2_544 |
1 |
1 |
13338 |
7.5 |
-0.0 |
0.476 |
0 |
0 |
0 |
0.000 |
111 |
223 |
|
[8M0]E:303 |
2 |
1 |
570 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
13590 |
2.3 |
-0.0 |
0.765 |
0 |
0 |
0 |
0.000 |
224 |
|
[8M0]K:303 |
1 |
1 |
568 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
13403 |
1.5 |
-0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
Average: |
1.9 |
-0.0 |
0.717 |
0 |
0 |
0 |
0.000 |
|