| ## |
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 |
|
L |
315 |
85 |
20264 |
◊ |
K |
x,y,z |
1_555 |
286 |
82 |
20936 |
2803.5 |
-24.1 |
0.040 |
35 |
10 |
0 |
0.474 |
2 |
|
D |
306 |
82 |
20210 |
◊ |
C |
x,y,z |
1_555 |
270 |
77 |
20966 |
2673.9 |
-22.6 |
0.030 |
35 |
9 |
0 |
0.474 |
| Average: |
2738.7 |
-23.3 |
0.035 |
35 |
10 |
0 |
0.474 |
| 2 |
3 |
|
D |
238 |
68 |
20210 |
◊ |
A |
x,y,z |
1_555 |
227 |
61 |
20656 |
2130.2 |
-18.3 |
0.094 |
19 |
7 |
0 |
0.400 |
4 |
|
L |
233 |
67 |
20264 |
◊ |
I |
x,y,z |
1_555 |
224 |
61 |
20668 |
2092.7 |
-17.9 |
0.104 |
21 |
7 |
0 |
0.400 |
5 |
|
N |
230 |
66 |
20135 |
◊ |
K |
x,y,z |
1_555 |
215 |
62 |
20936 |
2075.0 |
-17.9 |
0.109 |
19 |
6 |
0 |
0.400 |
6 |
|
F |
228 |
64 |
20194 |
◊ |
C |
x,y,z |
1_555 |
217 |
62 |
20966 |
2055.8 |
-18.1 |
0.096 |
17 |
5 |
0 |
0.400 |
| Average: |
2088.4 |
-18.1 |
0.101 |
19 |
6 |
0 |
0.400 |
| 3 |
7 |
|
F |
238 |
65 |
20194 |
◊ |
B |
x,y,z |
1_555 |
227 |
64 |
20620 |
2116.2 |
-17.1 |
0.082 |
25 |
8 |
0 |
0.363 |
8 |
|
N |
230 |
61 |
20135 |
◊ |
J |
x,y,z |
1_555 |
220 |
63 |
20497 |
2095.4 |
-15.7 |
0.074 |
25 |
7 |
0 |
0.363 |
| Average: |
2105.8 |
-16.4 |
0.078 |
25 |
8 |
0 |
0.363 |
| 4 |
9 |
|
M |
209 |
58 |
20200 |
◊ |
I |
x,y,z |
1_555 |
223 |
65 |
20668 |
1879.2 |
-19.4 |
0.056 |
20 |
6 |
0 |
0.382 |
10 |
|
E |
207 |
59 |
20158 |
◊ |
A |
x,y,z |
1_555 |
222 |
62 |
20656 |
1850.6 |
-18.8 |
0.066 |
18 |
6 |
0 |
0.382 |
| Average: |
1864.9 |
-19.1 |
0.061 |
19 |
6 |
0 |
0.382 |
| 5 |
11 |
|
E |
186 |
57 |
20158 |
◊ |
B |
x,y,z |
1_555 |
189 |
56 |
20620 |
1766.0 |
-13.4 |
0.141 |
20 |
7 |
0 |
0.328 |
12 |
|
M |
186 |
55 |
20200 |
◊ |
J |
x,y,z |
1_555 |
187 |
55 |
20497 |
1761.6 |
-14.1 |
0.113 |
18 |
7 |
0 |
0.328 |
| Average: |
1763.8 |
-13.8 |
0.127 |
19 |
7 |
0 |
0.328 |
| 6 |
13 |
|
P |
110 |
31 |
8046 |
◊ |
O |
x,y,z |
1_555 |
117 |
33 |
16014 |
1115.9 |
-9.4 |
0.204 |
17 |
5 |
0 |
1.000 |
14 |
|
H |
112 |
32 |
7806 |
◊ |
G |
x,y,z |
1_555 |
115 |
33 |
16158 |
1078.1 |
-10.3 |
0.144 |
14 |
5 |
0 |
1.000 |
| Average: |
1097.0 |
-9.8 |
0.174 |
16 |
5 |
0 |
1.000 |
| 7 |
15 |
|
M |
79 |
23 |
20200 |
◊ |
E |
x-1,y,z |
1_455 |
79 |
24 |
20158 |
808.4 |
-4.3 |
0.397 |
8 |
0 |
0 |
0.000 |
| 8 |
16 |
|
O |
77 |
25 |
16014 |
◊ |
L |
x,y,z |
1_555 |
79 |
24 |
20264 |
669.9 |
-9.3 |
0.115 |
6 |
5 |
0 |
0.116 |
17 |
|
G |
74 |
22 |
16158 |
◊ |
D |
x,y,z |
1_555 |
75 |
24 |
20210 |
666.8 |
-9.2 |
0.113 |
7 |
4 |
0 |
0.116 |
| Average: |
668.4 |
-9.3 |
0.114 |
7 |
5 |
0 |
0.116 |
| 9 |
18 |
|
O |
65 |
24 |
16014 |
◊ |
I |
x,y,z |
1_555 |
72 |
21 |
20668 |
652.2 |
-9.7 |
0.066 |
3 |
3 |
0 |
0.102 |
19 |
|
G |
60 |
23 |
16158 |
◊ |
A |
x,y,z |
1_555 |
64 |
18 |
20656 |
609.7 |
-9.6 |
0.055 |
1 |
2 |
0 |
0.102 |
| Average: |
631.0 |
-9.7 |
0.061 |
2 |
3 |
0 |
0.102 |
| 10 |
20 |
|
G |
64 |
22 |
16158 |
◊ |
E |
x,y,z |
1_555 |
63 |
19 |
20158 |
620.8 |
-9.7 |
0.054 |
5 |
4 |
0 |
0.071 |
21 |
|
O |
60 |
22 |
16014 |
◊ |
M |
x,y,z |
1_555 |
60 |
19 |
20200 |
599.7 |
-9.4 |
0.054 |
5 |
5 |
0 |
0.071 |
| Average: |
610.3 |
-9.5 |
0.054 |
5 |
5 |
0 |
0.071 |
| 11 |
22 |
|
O |
56 |
24 |
16014 |
◊ |
N |
x,y,z |
1_555 |
45 |
16 |
20135 |
511.0 |
-2.4 |
0.467 |
7 |
8 |
0 |
0.018 |
23 |
|
G |
60 |
24 |
16158 |
◊ |
F |
x,y,z |
1_555 |
44 |
16 |
20194 |
494.9 |
-2.3 |
0.455 |
8 |
7 |
0 |
0.018 |
| Average: |
502.9 |
-2.4 |
0.461 |
8 |
8 |
0 |
0.018 |
| 12 |
24 |
|
I |
52 |
14 |
20668 |
◊ |
K |
-x-1,y-1/2,-z-1 |
2_444 |
52 |
15 |
20936 |
506.4 |
-0.6 |
0.587 |
5 |
9 |
0 |
0.000 |
| 13 |
25 |
|
J |
52 |
18 |
20497 |
◊ |
E |
x-1,y+1,z |
1_465 |
43 |
17 |
20158 |
451.4 |
1.5 |
0.743 |
6 |
5 |
0 |
0.000 |
| 14 |
26 |
|
P |
45 |
11 |
8046 |
◊ |
E |
x-1,y,z |
1_455 |
62 |
24 |
20158 |
447.7 |
2.4 |
0.608 |
5 |
2 |
0 |
0.000 |
27 |
|
M |
45 |
17 |
20200 |
◊ |
H |
x-1,y,z |
1_455 |
39 |
10 |
7806 |
330.5 |
2.9 |
0.707 |
3 |
1 |
0 |
0.000 |
| Average: |
389.1 |
2.6 |
0.657 |
4 |
2 |
0 |
0.000 |
| 15 |
28 |
|
B |
47 |
17 |
20620 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
43 |
12 |
20135 |
411.6 |
-0.1 |
0.614 |
4 |
1 |
0 |
0.000 |
| 16 |
29 |
|
P |
50 |
11 |
8046 |
◊ |
C |
x,y,z |
1_555 |
49 |
16 |
20966 |
403.2 |
0.5 |
0.637 |
4 |
4 |
0 |
0.000 |
30 |
|
H |
48 |
11 |
7806 |
◊ |
K |
x,y,z |
1_555 |
44 |
16 |
20936 |
391.9 |
0.9 |
0.646 |
4 |
5 |
0 |
0.000 |
| Average: |
397.6 |
0.7 |
0.642 |
4 |
5 |
0 |
0.000 |
| 17 |
31 |
|
[ADP]F:600 |
27 |
1 |
557 |
f |
F |
x,y,z |
1_555 |
52 |
17 |
20194 |
364.9 |
-5.6 |
0.447 |
12 |
0 |
0 |
0.161 |
32 |
|
[ADP]N:600 |
27 |
1 |
560 |
f |
N |
x,y,z |
1_555 |
53 |
17 |
20135 |
364.6 |
-5.7 |
0.441 |
12 |
0 |
0 |
0.161 |
33 |
|
[ADP]D:600 |
26 |
1 |
555 |
f |
D |
x,y,z |
1_555 |
54 |
16 |
20210 |
333.7 |
-6.0 |
0.412 |
12 |
0 |
0 |
0.161 |
34 |
|
[ADP]L:600 |
27 |
1 |
555 |
f |
L |
x,y,z |
1_555 |
55 |
17 |
20264 |
333.2 |
-6.1 |
0.420 |
10 |
0 |
0 |
0.161 |
| Average: |
349.1 |
-5.8 |
0.430 |
12 |
0 |
0 |
0.161 |
| 18 |
35 |
|
[ADP]E:600 |
27 |
1 |
555 |
f |
E |
x,y,z |
1_555 |
55 |
17 |
20158 |
348.9 |
-5.4 |
0.380 |
12 |
0 |
0 |
0.151 |
36 |
|
[ADP]M:600 |
27 |
1 |
555 |
f |
M |
x,y,z |
1_555 |
52 |
16 |
20200 |
348.7 |
-5.5 |
0.367 |
11 |
0 |
0 |
0.151 |
| Average: |
348.8 |
-5.5 |
0.373 |
12 |
0 |
0 |
0.151 |
| 19 |
37 |
|
[ADP]C:600 |
27 |
1 |
559 |
f |
C |
x,y,z |
1_555 |
51 |
13 |
20966 |
348.3 |
-4.6 |
0.552 |
13 |
0 |
0 |
0.157 |
38 |
|
[ADP]I:600 |
27 |
1 |
559 |
f |
I |
x,y,z |
1_555 |
48 |
15 |
20668 |
347.9 |
-4.2 |
0.624 |
14 |
0 |
0 |
0.157 |
39 |
|
[ADP]A:600 |
26 |
1 |
557 |
f |
A |
x,y,z |
1_555 |
48 |
15 |
20656 |
347.4 |
-3.9 |
0.634 |
12 |
0 |
0 |
0.157 |
40 |
|
[ADP]K:600 |
26 |
1 |
557 |
f |
K |
x,y,z |
1_555 |
51 |
14 |
20936 |
346.1 |
-4.6 |
0.555 |
13 |
0 |
0 |
0.157 |
41 |
|
[ADP]B:600 |
26 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
47 |
14 |
20620 |
342.8 |
-3.7 |
0.658 |
14 |
0 |
0 |
0.157 |
42 |
|
[ADP]J:600 |
27 |
1 |
555 |
f |
J |
x,y,z |
1_555 |
44 |
14 |
20497 |
340.7 |
-3.6 |
0.660 |
14 |
0 |
0 |
0.157 |
| Average: |
345.5 |
-4.1 |
0.614 |
13 |
0 |
0 |
0.157 |
| 20 |
43 |
|
K |
35 |
12 |
20936 |
◊ |
C |
x,y,z |
1_555 |
35 |
13 |
20966 |
274.5 |
-2.0 |
0.393 |
0 |
2 |
0 |
0.000 |
| 21 |
44 |
|
C |
31 |
9 |
20966 |
◊ |
N |
x,y-1,z |
1_545 |
30 |
9 |
20135 |
272.1 |
0.0 |
0.557 |
3 |
0 |
0 |
0.000 |
| 22 |
45 |
|
O |
18 |
6 |
16014 |
◊ |
J |
x,y,z |
1_555 |
31 |
13 |
20497 |
234.4 |
0.2 |
0.629 |
3 |
1 |
0 |
0.005 |
46 |
|
G |
16 |
6 |
16158 |
◊ |
B |
x,y,z |
1_555 |
30 |
13 |
20620 |
230.4 |
0.3 |
0.638 |
3 |
1 |
0 |
0.005 |
| Average: |
232.4 |
0.2 |
0.634 |
3 |
1 |
0 |
0.005 |
| 23 |
47 |
|
O |
29 |
10 |
16014 |
◊ |
C |
x,y,z |
1_555 |
24 |
9 |
20966 |
214.2 |
1.0 |
0.672 |
1 |
4 |
0 |
0.000 |
48 |
|
G |
29 |
10 |
16158 |
◊ |
K |
x,y,z |
1_555 |
25 |
9 |
20936 |
211.9 |
1.1 |
0.693 |
2 |
4 |
0 |
0.000 |
| Average: |
213.1 |
1.0 |
0.683 |
2 |
4 |
0 |
0.000 |
| 24 |
49 |
|
G |
23 |
9 |
16158 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
20966 |
207.6 |
-2.2 |
0.308 |
1 |
0 |
0 |
0.007 |
50 |
|
O |
21 |
6 |
16014 |
◊ |
K |
x,y,z |
1_555 |
25 |
8 |
20936 |
182.2 |
-2.5 |
0.292 |
0 |
0 |
0 |
0.007 |
| Average: |
194.9 |
-2.3 |
0.300 |
1 |
0 |
0 |
0.007 |
| 25 |
51 |
|
B |
24 |
9 |
20620 |
◊ |
O |
-x,y-1/2,-z |
2_545 |
19 |
6 |
16014 |
154.2 |
0.9 |
0.721 |
1 |
1 |
0 |
0.000 |
| 26 |
52 |
|
[GOL]B:602 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
20620 |
153.8 |
-0.8 |
0.468 |
3 |
0 |
0 |
0.030 |
| 27 |
53 |
|
[GOL]J:602 |
6 |
1 |
221 |
f |
J |
x,y,z |
1_555 |
23 |
11 |
20497 |
152.8 |
-0.9 |
0.420 |
4 |
0 |
0 |
0.037 |
| 28 |
54 |
|
[GOL]C:602 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
20966 |
150.2 |
-0.7 |
0.481 |
2 |
0 |
0 |
0.023 |
| 29 |
55 |
|
[GOL]K:602 |
6 |
1 |
220 |
f |
K |
x,y,z |
1_555 |
22 |
11 |
20936 |
149.8 |
-0.8 |
0.453 |
2 |
0 |
0 |
0.023 |
| 30 |
56 |
|
[GOL]E:604 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
29 |
10 |
20158 |
146.8 |
0.7 |
0.638 |
3 |
0 |
0 |
0.008 |
| 31 |
57 |
|
[GOL]M:604 |
6 |
1 |
218 |
◊ |
M |
x,y,z |
1_555 |
25 |
9 |
20200 |
143.2 |
1.2 |
0.646 |
3 |
0 |
0 |
0.002 |
| 32 |
58 |
|
L |
15 |
3 |
20264 |
◊ |
D |
x,y,z |
1_555 |
14 |
3 |
20210 |
140.1 |
-1.1 |
0.429 |
0 |
0 |
0 |
0.000 |
| 33 |
59 |
|
D |
16 |
7 |
20210 |
◊ |
N |
x,y-1,z |
1_545 |
17 |
5 |
20135 |
139.9 |
-0.6 |
0.530 |
0 |
0 |
0 |
0.000 |
| 34 |
60 |
|
F |
17 |
7 |
20194 |
◊ |
O |
-x,y-1/2,-z |
2_545 |
15 |
4 |
16014 |
137.3 |
-1.7 |
0.360 |
2 |
0 |
0 |
0.000 |
| 35 |
61 |
|
[ADP]D:600 |
13 |
1 |
555 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
20966 |
128.6 |
-1.3 |
0.677 |
2 |
0 |
0 |
0.027 |
62 |
|
[ADP]L:600 |
12 |
1 |
555 |
◊ |
K |
x,y,z |
1_555 |
18 |
6 |
20936 |
126.6 |
-1.5 |
0.641 |
2 |
0 |
0 |
0.027 |
| Average: |
127.6 |
-1.4 |
0.659 |
2 |
0 |
0 |
0.027 |
| 36 |
63 |
|
N |
13 |
4 |
20135 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
20264 |
114.4 |
-2.8 |
0.083 |
0 |
0 |
0 |
0.009 |
64 |
|
F |
14 |
4 |
20194 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
20210 |
105.9 |
-2.7 |
0.106 |
0 |
0 |
0 |
0.009 |
| Average: |
110.1 |
-2.8 |
0.095 |
0 |
0 |
0 |
0.009 |
| 37 |
65 |
|
F |
12 |
6 |
20194 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
13 |
4 |
16158 |
106.7 |
1.5 |
0.825 |
1 |
0 |
0 |
0.000 |
| 38 |
66 |
|
[GOL]F:602 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
19 |
7 |
20194 |
101.6 |
-0.7 |
0.489 |
1 |
0 |
0 |
0.016 |
| 39 |
67 |
|
[GOL]N:603 |
5 |
1 |
215 |
◊ |
K |
x,y,z |
1_555 |
12 |
5 |
20936 |
101.3 |
-0.3 |
0.551 |
1 |
0 |
0 |
0.011 |
| 40 |
68 |
|
[GOL]E:603 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
20620 |
99.7 |
-1.2 |
0.367 |
2 |
0 |
0 |
0.029 |
| 41 |
69 |
|
[PO4]M:602 |
5 |
1 |
188 |
f |
M |
x,y,z |
1_555 |
10 |
6 |
20200 |
98.6 |
-4.5 |
0.948 |
6 |
0 |
0 |
0.100 |
| 42 |
70 |
|
D |
12 |
5 |
20210 |
◊ |
K |
x,y-1,z |
1_545 |
11 |
4 |
20936 |
98.2 |
3.0 |
0.928 |
2 |
5 |
0 |
0.000 |
| 43 |
71 |
|
[GOL]N:604 |
6 |
1 |
222 |
◊ |
N |
x,y,z |
1_555 |
18 |
6 |
20135 |
97.6 |
0.1 |
0.588 |
1 |
0 |
0 |
0.005 |
| 44 |
72 |
|
[PO4]E:601 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
20158 |
97.5 |
-4.6 |
0.945 |
7 |
0 |
0 |
0.108 |
| 45 |
73 |
|
L |
9 |
4 |
20264 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
20966 |
96.4 |
0.3 |
0.645 |
2 |
0 |
0 |
0.000 |
74 |
|
D |
9 |
4 |
20210 |
◊ |
K |
x,y,z |
1_555 |
11 |
3 |
20936 |
90.0 |
0.3 |
0.660 |
1 |
0 |
0 |
0.000 |
| Average: |
93.2 |
0.3 |
0.653 |
2 |
0 |
0 |
0.000 |
| 46 |
75 |
|
[GOL]M:603 |
5 |
1 |
218 |
f |
M |
x,y,z |
1_555 |
14 |
7 |
20200 |
93.8 |
-0.4 |
0.527 |
3 |
0 |
0 |
0.023 |
| 47 |
76 |
|
[GOL]M:605 |
6 |
1 |
219 |
f |
J |
x,y,z |
1_555 |
16 |
5 |
20497 |
93.7 |
-1.0 |
0.429 |
2 |
0 |
0 |
0.026 |
| 48 |
77 |
|
[GOL]F:602 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
20620 |
89.1 |
-0.0 |
0.538 |
1 |
0 |
0 |
0.006 |
| 49 |
78 |
|
[GOL]N:604 |
5 |
1 |
222 |
f |
J |
x,y,z |
1_555 |
17 |
8 |
20497 |
88.7 |
-0.7 |
0.427 |
0 |
0 |
0 |
0.010 |
| 50 |
79 |
|
[GOL]I:602 |
6 |
1 |
220 |
f |
I |
x,y,z |
1_555 |
15 |
7 |
20668 |
86.5 |
-0.7 |
0.428 |
2 |
0 |
0 |
0.023 |
| 51 |
80 |
|
[GOL]N:603 |
6 |
1 |
215 |
f |
N |
x,y,z |
1_555 |
12 |
6 |
20135 |
84.6 |
0.1 |
0.640 |
4 |
0 |
0 |
0.023 |
| 52 |
81 |
|
[GOL]A:602 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20656 |
83.6 |
-0.6 |
0.438 |
3 |
0 |
0 |
0.027 |
| 53 |
82 |
|
[ADP]K:600 |
8 |
1 |
557 |
◊ |
N |
x,y,z |
1_555 |
8 |
6 |
20135 |
83.6 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
83 |
|
[ADP]C:600 |
8 |
1 |
559 |
◊ |
F |
x,y,z |
1_555 |
8 |
6 |
20194 |
80.9 |
0.5 |
0.778 |
0 |
0 |
0 |
0.000 |
84 |
|
[ADP]I:600 |
3 |
1 |
559 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
20264 |
36.7 |
0.2 |
0.659 |
0 |
0 |
0 |
0.000 |
85 |
|
[ADP]A:600 |
3 |
1 |
557 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
20210 |
32.1 |
0.3 |
0.669 |
0 |
0 |
0 |
0.000 |
| Average: |
58.3 |
0.4 |
0.719 |
0 |
0 |
0 |
0.000 |
| 54 |
86 |
|
A |
10 |
3 |
20656 |
◊ |
H |
x,y-1,z |
1_545 |
12 |
5 |
7806 |
81.2 |
0.4 |
0.635 |
0 |
0 |
0 |
0.000 |
| 55 |
87 |
|
[GOL]M:606 |
6 |
1 |
220 |
f |
M |
x,y,z |
1_555 |
14 |
6 |
20200 |
74.2 |
-0.1 |
0.554 |
3 |
0 |
0 |
0.020 |
| 56 |
88 |
|
B |
10 |
3 |
20620 |
◊ |
G |
x,y-1,z |
1_545 |
6 |
2 |
16158 |
73.9 |
0.5 |
0.717 |
1 |
2 |
0 |
0.000 |
| 57 |
89 |
|
[GOL]E:602 |
5 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
20158 |
72.2 |
-0.3 |
0.525 |
3 |
0 |
0 |
0.022 |
| 58 |
90 |
|
A |
8 |
3 |
20656 |
◊ |
G |
x,y-1,z |
1_545 |
8 |
2 |
16158 |
71.5 |
0.3 |
0.634 |
0 |
2 |
0 |
0.000 |
| 59 |
91 |
|
[GOL]M:605 |
6 |
1 |
219 |
◊ |
M |
x,y,z |
1_555 |
7 |
3 |
20200 |
70.8 |
0.2 |
0.630 |
3 |
0 |
0 |
0.015 |
| 60 |
92 |
|
[GOL]E:603 |
5 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
20158 |
68.0 |
0.1 |
0.608 |
3 |
0 |
0 |
0.018 |
| 61 |
93 |
|
[ADP]F:600 |
4 |
1 |
557 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
20620 |
67.6 |
-3.3 |
0.203 |
0 |
0 |
0 |
0.041 |
94 |
|
[ADP]N:600 |
6 |
1 |
560 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
20497 |
63.4 |
-2.9 |
0.254 |
0 |
0 |
0 |
0.041 |
| Average: |
65.5 |
-3.1 |
0.228 |
0 |
0 |
0 |
0.041 |
| 62 |
95 |
|
[GOL]I:602 |
4 |
1 |
220 |
◊ |
M |
x,y,z |
1_555 |
11 |
5 |
20200 |
67.2 |
-0.3 |
0.492 |
2 |
0 |
0 |
0.016 |
| 63 |
96 |
|
[GOL]A:602 |
5 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
20158 |
65.7 |
-0.7 |
0.416 |
1 |
0 |
0 |
0.015 |
| 64 |
97 |
|
[GOL]M:606 |
4 |
1 |
220 |
◊ |
I |
x,y,z |
1_555 |
8 |
2 |
20668 |
62.0 |
-0.3 |
0.509 |
1 |
0 |
0 |
0.009 |
| 65 |
98 |
|
F |
7 |
4 |
20194 |
x |
F |
-x,y-1/2,-z |
2_545 |
6 |
3 |
20194 |
61.9 |
0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
| 66 |
99 |
|
[GOL]E:602 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
20656 |
60.2 |
-0.3 |
0.476 |
1 |
0 |
0 |
0.010 |
| 67 |
100 |
|
B |
7 |
4 |
20620 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
3 |
2 |
20497 |
52.9 |
0.8 |
0.772 |
1 |
0 |
0 |
0.000 |
| 68 |
101 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
20194 |
51.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.091 |
102 |
|
[MG]N:602 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
13 |
7 |
20135 |
50.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.091 |
103 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
20210 |
47.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.091 |
104 |
|
[MG]L:601 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
12 |
7 |
20264 |
45.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
48.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.091 |
| 69 |
105 |
|
D |
8 |
3 |
20210 |
◊ |
H |
x,y-1,z |
1_545 |
5 |
2 |
7806 |
49.9 |
0.8 |
0.767 |
0 |
1 |
0 |
0.000 |
| 70 |
106 |
|
[MG]J:601 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
20497 |
48.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.082 |
107 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
20620 |
48.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.082 |
108 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
20966 |
43.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.082 |
109 |
|
[MG]I:601 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
11 |
5 |
20668 |
43.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.082 |
110 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20656 |
43.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.082 |
111 |
|
[MG]K:601 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
12 |
5 |
20936 |
42.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
44.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.082 |
| 71 |
112 |
|
E |
5 |
1 |
20158 |
◊ |
H |
x,y-1,z |
1_545 |
3 |
1 |
7806 |
40.9 |
-1.0 |
0.188 |
0 |
0 |
0 |
0.000 |
| 72 |
113 |
|
[PO4]M:602 |
4 |
1 |
188 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
20668 |
38.6 |
-1.3 |
0.936 |
1 |
0 |
0 |
0.023 |
| 73 |
114 |
|
[GOL]E:602 |
3 |
1 |
219 |
◊ |
[GOL]A:602 |
x,y,z |
1_555 |
3 |
1 |
219 |
35.3 |
0.3 |
0.612 |
3 |
0 |
0 |
0.013 |
| 74 |
115 |
|
[PO4]E:601 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20656 |
34.3 |
-1.2 |
0.915 |
1 |
0 |
0 |
0.023 |
| 75 |
116 |
|
[MG]J:601 |
1 |
1 |
98 |
f |
[ADP]J:600 |
x,y,z |
1_555 |
5 |
1 |
555 |
33.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.137 |
117 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[ADP]C:600 |
x,y,z |
1_555 |
5 |
1 |
559 |
33.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.137 |
118 |
|
[MG]K:601 |
1 |
1 |
98 |
f |
[ADP]K:600 |
x,y,z |
1_555 |
4 |
1 |
557 |
33.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.137 |
119 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[ADP]A:600 |
x,y,z |
1_555 |
4 |
1 |
557 |
32.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.137 |
120 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[ADP]B:600 |
x,y,z |
1_555 |
4 |
1 |
553 |
32.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.137 |
121 |
|
[MG]I:601 |
1 |
1 |
98 |
f |
[ADP]I:600 |
x,y,z |
1_555 |
4 |
1 |
559 |
32.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.137 |
122 |
|
[MG]N:602 |
1 |
1 |
98 |
f |
[ADP]N:600 |
x,y,z |
1_555 |
4 |
1 |
560 |
30.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.137 |
123 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
[ADP]F:600 |
x,y,z |
1_555 |
4 |
1 |
557 |
30.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.137 |
124 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
[ADP]D:600 |
x,y,z |
1_555 |
4 |
1 |
555 |
26.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.137 |
125 |
|
[MG]L:601 |
1 |
1 |
98 |
f |
[ADP]L:600 |
x,y,z |
1_555 |
5 |
1 |
555 |
25.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
31.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.137 |
| 76 |
126 |
|
[GOL]M:606 |
4 |
1 |
220 |
◊ |
[GOL]I:602 |
x,y,z |
1_555 |
3 |
1 |
220 |
31.5 |
-0.1 |
0.489 |
1 |
0 |
0 |
0.007 |
| 77 |
127 |
|
[ADP]B:600 |
5 |
1 |
553 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
20158 |
30.4 |
-0.5 |
0.560 |
0 |
0 |
0 |
0.007 |
128 |
|
[ADP]J:600 |
4 |
1 |
555 |
◊ |
M |
x,y,z |
1_555 |
4 |
1 |
20200 |
28.2 |
-0.5 |
0.543 |
0 |
0 |
0 |
0.007 |
| Average: |
29.3 |
-0.5 |
0.551 |
0 |
0 |
0 |
0.007 |
| 78 |
129 |
|
[GOL]M:605 |
2 |
1 |
219 |
f |
[GOL]M:604 |
x,y,z |
1_555 |
4 |
1 |
218 |
28.3 |
-0.0 |
0.529 |
1 |
0 |
0 |
0.007 |
| 79 |
130 |
|
[GOL]E:604 |
3 |
1 |
219 |
◊ |
[GOL]E:603 |
x,y,z |
1_555 |
3 |
1 |
219 |
28.1 |
-0.0 |
0.514 |
1 |
0 |
0 |
0.007 |
| 80 |
131 |
|
L |
2 |
2 |
20264 |
◊ |
K |
-x-1,y-1/2,-z-1 |
2_444 |
7 |
2 |
20936 |
26.4 |
0.3 |
0.635 |
0 |
0 |
0 |
0.000 |
| 81 |
132 |
|
[GOL]M:606 |
2 |
1 |
220 |
◊ |
O |
x,y,z |
1_555 |
2 |
2 |
16014 |
15.7 |
-0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
| 82 |
133 |
|
[GOL]E:602 |
2 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
16158 |
15.7 |
-0.2 |
0.389 |
0 |
0 |
0 |
0.001 |
| 83 |
134 |
|
I |
2 |
2 |
20668 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
20158 |
15.2 |
-0.3 |
0.385 |
0 |
0 |
0 |
0.000 |
135 |
|
M |
4 |
2 |
20200 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
20656 |
12.7 |
-0.3 |
0.380 |
0 |
0 |
0 |
0.000 |
| Average: |
14.0 |
-0.3 |
0.383 |
0 |
0 |
0 |
0.000 |
| 84 |
136 |
|
[MG]L:601 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
20936 |
10.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
137 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
20966 |
10.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
10.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 85 |
138 |
|
[GOL]A:602 |
1 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
16158 |
10.9 |
-0.1 |
0.300 |
0 |
0 |
0 |
0.000 |
| 86 |
139 |
|
[GOL]E:604 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20620 |
10.7 |
-0.3 |
0.325 |
0 |
0 |
0 |
0.004 |
| 87 |
140 |
|
[GOL]I:602 |
1 |
1 |
220 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
16014 |
10.5 |
-0.0 |
0.307 |
0 |
0 |
0 |
0.000 |
| 88 |
141 |
|
I |
4 |
1 |
20668 |
◊ |
L |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
20264 |
10.3 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
| 89 |
142 |
|
L |
2 |
1 |
20264 |
◊ |
J |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
20497 |
10.2 |
-0.0 |
0.499 |
0 |
0 |
0 |
0.000 |
| 90 |
143 |
|
I |
3 |
2 |
20668 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
20656 |
9.2 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
| 91 |
144 |
|
[GOL]M:604 |
1 |
1 |
218 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
20497 |
7.1 |
-0.0 |
0.354 |
0 |
0 |
0 |
0.000 |
| 92 |
145 |
|
L |
1 |
1 |
20264 |
◊ |
N |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
20135 |
6.7 |
-0.2 |
0.369 |
0 |
0 |
0 |
0.000 |
| 93 |
146 |
|
[GOL]M:603 |
1 |
1 |
218 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
20668 |
5.3 |
-0.2 |
0.385 |
0 |
0 |
0 |
0.002 |
|