## |
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 |
|
J |
163 |
45 |
11383 |
◊ |
F |
x,y,z |
1_555 |
158 |
43 |
11555 |
1488.4 |
-11.5 |
0.155 |
20 |
10 |
0 |
0.724 |
2 |
|
H |
160 |
42 |
11468 |
◊ |
G |
x,y,z |
1_555 |
162 |
45 |
11564 |
1465.5 |
-11.1 |
0.170 |
20 |
12 |
0 |
0.724 |
3 |
|
E |
166 |
45 |
11725 |
◊ |
A |
x,y,z |
1_555 |
158 |
46 |
11626 |
1462.2 |
-10.9 |
0.202 |
23 |
12 |
0 |
0.724 |
4 |
|
E |
157 |
46 |
11725 |
◊ |
D |
x,y,z |
1_555 |
167 |
44 |
11880 |
1458.7 |
-9.0 |
0.260 |
21 |
12 |
0 |
0.724 |
5 |
|
D |
154 |
42 |
11880 |
◊ |
C |
x,y,z |
1_555 |
167 |
45 |
11442 |
1455.6 |
-10.9 |
0.174 |
23 |
10 |
0 |
0.724 |
6 |
|
G |
153 |
40 |
11564 |
◊ |
F |
x,y,z |
1_555 |
167 |
44 |
11555 |
1453.0 |
-8.5 |
0.255 |
26 |
13 |
0 |
0.724 |
7 |
|
C |
159 |
43 |
11442 |
◊ |
B |
x,y,z |
1_555 |
161 |
46 |
11231 |
1450.0 |
-9.7 |
0.212 |
22 |
11 |
0 |
0.724 |
8 |
|
I |
149 |
40 |
11667 |
◊ |
H |
x,y,z |
1_555 |
156 |
43 |
11468 |
1413.3 |
-11.8 |
0.133 |
19 |
10 |
0 |
0.724 |
9 |
|
J |
146 |
41 |
11383 |
◊ |
I |
x,y,z |
1_555 |
161 |
46 |
11667 |
1406.6 |
-8.5 |
0.233 |
21 |
11 |
0 |
0.724 |
10 |
|
B |
135 |
38 |
11231 |
◊ |
A |
x,y,z |
1_555 |
147 |
41 |
11626 |
1311.5 |
-10.9 |
0.156 |
21 |
11 |
0 |
0.724 |
Average: |
1436.5 |
-10.3 |
0.195 |
22 |
11 |
0 |
0.724 |
2 |
11 |
|
F |
51 |
15 |
11555 |
◊ |
F |
-x-1,y,-z |
2_455 |
51 |
15 |
11555 |
438.0 |
-0.9 |
0.554 |
10 |
0 |
0 |
0.000 |
3 |
12 |
|
F |
37 |
12 |
11555 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
11626 |
332.6 |
-3.1 |
0.316 |
2 |
0 |
0 |
0.000 |
13 |
|
H |
35 |
11 |
11468 |
◊ |
D |
x,y,z |
1_555 |
34 |
10 |
11880 |
327.1 |
-3.4 |
0.256 |
2 |
0 |
0 |
0.000 |
14 |
|
G |
34 |
10 |
11564 |
◊ |
E |
x,y,z |
1_555 |
32 |
10 |
11725 |
324.0 |
-2.9 |
0.297 |
2 |
0 |
0 |
0.000 |
15 |
|
I |
33 |
11 |
11667 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
11442 |
319.5 |
-3.7 |
0.220 |
2 |
0 |
0 |
0.000 |
16 |
|
J |
32 |
9 |
11383 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
11231 |
315.1 |
-3.2 |
0.249 |
2 |
0 |
0 |
0.000 |
Average: |
323.7 |
-3.2 |
0.267 |
2 |
0 |
0 |
0.000 |
4 |
17 |
|
[KK3]G:302 |
21 |
1 |
544 |
f |
G |
x,y,z |
1_555 |
42 |
8 |
11564 |
257.5 |
0.1 |
0.081 |
3 |
0 |
0 |
0.030 |
18 |
|
[KK3]C:301 |
21 |
1 |
545 |
f |
C |
x,y,z |
1_555 |
42 |
8 |
11442 |
254.6 |
0.4 |
0.104 |
3 |
0 |
0 |
0.030 |
19 |
|
[KK3]A:304 |
21 |
1 |
544 |
f |
A |
x,y,z |
1_555 |
42 |
8 |
11626 |
254.5 |
0.3 |
0.092 |
3 |
0 |
0 |
0.030 |
20 |
|
[KK3]J:302 |
23 |
1 |
546 |
f |
J |
x,y,z |
1_555 |
41 |
8 |
11383 |
254.4 |
0.5 |
0.086 |
3 |
0 |
0 |
0.030 |
21 |
|
[KK3]E:302 |
22 |
1 |
542 |
f |
E |
x,y,z |
1_555 |
41 |
8 |
11725 |
254.1 |
0.4 |
0.093 |
3 |
0 |
0 |
0.030 |
22 |
|
[KK3]D:304 |
21 |
1 |
547 |
f |
D |
x,y,z |
1_555 |
42 |
8 |
11880 |
252.8 |
0.4 |
0.098 |
3 |
0 |
0 |
0.030 |
23 |
|
[KK3]B:303 |
22 |
1 |
546 |
f |
B |
x,y,z |
1_555 |
43 |
8 |
11231 |
252.7 |
0.5 |
0.090 |
3 |
0 |
0 |
0.030 |
24 |
|
[KK3]F:304 |
21 |
1 |
543 |
f |
F |
x,y,z |
1_555 |
42 |
8 |
11555 |
252.6 |
0.5 |
0.094 |
3 |
0 |
0 |
0.030 |
Average: |
254.1 |
0.4 |
0.092 |
3 |
0 |
0 |
0.030 |
5 |
25 |
|
[KK3]H:303 |
22 |
1 |
544 |
f |
H |
x,y,z |
1_555 |
42 |
8 |
11468 |
255.4 |
0.5 |
0.094 |
3 |
0 |
0 |
0.020 |
26 |
|
[KK3]I:304 |
22 |
1 |
540 |
f |
I |
x,y,z |
1_555 |
40 |
8 |
11667 |
252.0 |
0.3 |
0.080 |
3 |
0 |
0 |
0.020 |
Average: |
253.7 |
0.4 |
0.087 |
3 |
0 |
0 |
0.020 |
6 |
27 |
|
[KK3]D:304 |
16 |
1 |
547 |
◊ |
E |
x,y,z |
1_555 |
35 |
10 |
11725 |
204.1 |
2.9 |
0.291 |
2 |
0 |
0 |
0.000 |
28 |
|
[KK3]B:303 |
17 |
1 |
546 |
◊ |
C |
x,y,z |
1_555 |
36 |
10 |
11442 |
203.9 |
3.1 |
0.294 |
1 |
0 |
0 |
0.000 |
29 |
|
[KK3]F:304 |
16 |
1 |
543 |
◊ |
G |
x,y,z |
1_555 |
36 |
9 |
11564 |
202.2 |
2.8 |
0.267 |
1 |
0 |
0 |
0.000 |
30 |
|
[KK3]G:302 |
16 |
1 |
544 |
◊ |
H |
x,y,z |
1_555 |
37 |
10 |
11468 |
201.5 |
2.9 |
0.292 |
2 |
0 |
0 |
0.000 |
31 |
|
[KK3]E:302 |
17 |
1 |
542 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
11626 |
201.4 |
2.9 |
0.296 |
2 |
0 |
0 |
0.000 |
32 |
|
[KK3]I:304 |
16 |
1 |
540 |
◊ |
J |
x,y,z |
1_555 |
33 |
9 |
11383 |
201.4 |
3.0 |
0.284 |
2 |
0 |
0 |
0.000 |
33 |
|
[KK3]A:304 |
16 |
1 |
544 |
◊ |
B |
x,y,z |
1_555 |
37 |
10 |
11231 |
201.2 |
2.8 |
0.280 |
2 |
0 |
0 |
0.000 |
34 |
|
[KK3]C:301 |
16 |
1 |
545 |
◊ |
D |
x,y,z |
1_555 |
35 |
10 |
11880 |
200.9 |
2.8 |
0.270 |
2 |
0 |
0 |
0.000 |
35 |
|
[KK3]J:302 |
16 |
1 |
546 |
◊ |
F |
x,y,z |
1_555 |
34 |
9 |
11555 |
200.0 |
2.9 |
0.287 |
2 |
0 |
0 |
0.000 |
Average: |
201.8 |
2.9 |
0.285 |
2 |
0 |
0 |
0.000 |
7 |
36 |
|
[KK3]H:303 |
16 |
1 |
544 |
◊ |
I |
x,y,z |
1_555 |
36 |
10 |
11667 |
200.9 |
2.8 |
0.276 |
1 |
0 |
0 |
0.000 |
8 |
37 |
|
I |
20 |
5 |
11667 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
22 |
6 |
11564 |
196.7 |
-3.2 |
0.122 |
0 |
0 |
0 |
0.000 |
9 |
38 |
|
A |
30 |
11 |
11626 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
24 |
9 |
11725 |
195.0 |
1.1 |
0.720 |
1 |
1 |
0 |
0.000 |
10 |
39 |
|
I |
24 |
6 |
11667 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
19 |
4 |
11880 |
189.3 |
-1.7 |
0.317 |
2 |
0 |
0 |
0.000 |
11 |
40 |
|
[NAG]A:303 |
10 |
1 |
352 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
24 |
8 |
11725 |
151.2 |
3.4 |
0.452 |
1 |
0 |
0 |
0.000 |
12 |
41 |
|
I |
21 |
7 |
11667 |
◊ |
G |
x,y-1,z |
1_545 |
18 |
7 |
11564 |
150.9 |
2.3 |
0.825 |
1 |
0 |
0 |
0.000 |
13 |
42 |
|
A |
15 |
5 |
11626 |
◊ |
D |
x,y-1,z |
1_545 |
15 |
4 |
11880 |
133.1 |
0.8 |
0.714 |
0 |
0 |
0 |
0.000 |
14 |
43 |
|
A |
15 |
4 |
11626 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
18 |
6 |
11880 |
118.7 |
-1.7 |
0.325 |
2 |
0 |
0 |
0.000 |
15 |
44 |
|
J |
12 |
5 |
11383 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
11626 |
100.6 |
3.0 |
0.909 |
3 |
0 |
0 |
0.000 |
45 |
|
F |
11 |
4 |
11555 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
11725 |
98.8 |
2.7 |
0.917 |
2 |
0 |
0 |
0.000 |
46 |
|
I |
11 |
4 |
11667 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11231 |
96.1 |
2.0 |
0.853 |
0 |
0 |
0 |
0.000 |
47 |
|
G |
13 |
5 |
11564 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
11880 |
94.8 |
2.2 |
0.865 |
1 |
0 |
0 |
0.000 |
48 |
|
H |
12 |
4 |
11468 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
11442 |
92.8 |
2.8 |
0.909 |
2 |
0 |
0 |
0.000 |
Average: |
96.6 |
2.5 |
0.891 |
2 |
0 |
0 |
0.000 |
16 |
49 |
|
C |
6 |
2 |
11442 |
◊ |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
12 |
6 |
11468 |
98.6 |
1.8 |
0.850 |
2 |
0 |
0 |
0.000 |
17 |
50 |
|
I |
11 |
4 |
11667 |
◊ |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
12 |
3 |
11468 |
96.6 |
-0.5 |
0.455 |
3 |
1 |
0 |
0.000 |
18 |
51 |
|
[NAG]J:301 |
10 |
1 |
347 |
cf |
J |
x,y,z |
1_555 |
10 |
3 |
11383 |
94.2 |
2.4 |
0.291 |
1 |
0 |
0 |
0.000 |
19 |
52 |
|
[NAG]F:303 |
10 |
1 |
344 |
cf |
F |
x,y,z |
1_555 |
9 |
3 |
11555 |
91.8 |
1.2 |
0.257 |
0 |
0 |
0 |
0.000 |
20 |
53 |
|
[NAG]E:301 |
11 |
1 |
359 |
cf |
E |
x,y,z |
1_555 |
7 |
3 |
11725 |
91.8 |
2.2 |
0.226 |
2 |
0 |
0 |
0.000 |
21 |
54 |
|
[NAG]A:303 |
9 |
1 |
352 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
11626 |
91.7 |
2.8 |
0.437 |
1 |
0 |
0 |
0.000 |
22 |
55 |
|
[NAG]D:303 |
9 |
1 |
348 |
cf |
D |
x,y,z |
1_555 |
8 |
3 |
11880 |
90.9 |
2.1 |
0.267 |
2 |
0 |
0 |
0.000 |
23 |
56 |
|
[NAG]I:303 |
8 |
1 |
352 |
cf |
I |
x,y,z |
1_555 |
8 |
3 |
11667 |
88.5 |
2.3 |
0.429 |
0 |
0 |
0 |
0.000 |
24 |
57 |
|
[NAG]I:303 |
10 |
1 |
352 |
◊ |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
12 |
5 |
11468 |
87.5 |
1.1 |
0.238 |
0 |
0 |
0 |
0.000 |
25 |
58 |
|
[NAG]G:301 |
10 |
1 |
356 |
cf |
G |
x,y,z |
1_555 |
8 |
3 |
11564 |
86.2 |
2.6 |
0.341 |
0 |
0 |
0 |
0.000 |
26 |
59 |
|
[NAG]B:302 |
9 |
1 |
344 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
11231 |
85.1 |
2.6 |
0.386 |
0 |
0 |
0 |
0.000 |
27 |
60 |
|
[NAG]H:302 |
11 |
1 |
359 |
cf |
H |
x,y,z |
1_555 |
7 |
3 |
11468 |
84.9 |
2.1 |
0.252 |
0 |
0 |
0 |
0.000 |
28 |
61 |
|
[NAG]H:302 |
6 |
1 |
359 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
11880 |
81.7 |
1.2 |
0.315 |
1 |
0 |
0 |
0.000 |
29 |
62 |
|
[PO4]A:302 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11231 |
78.8 |
-5.1 |
0.705 |
3 |
0 |
0 |
0.140 |
30 |
63 |
|
B |
16 |
6 |
11231 |
◊ |
D |
x,y-1,z |
1_545 |
8 |
2 |
11880 |
78.3 |
-0.4 |
0.520 |
0 |
0 |
0 |
0.000 |
31 |
64 |
|
[PO4]F:301 |
5 |
1 |
189 |
◊ |
J |
x,y,z |
1_555 |
15 |
6 |
11383 |
76.8 |
-4.1 |
0.824 |
3 |
0 |
0 |
0.037 |
32 |
65 |
|
[PO4]D:301 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
11880 |
76.5 |
-5.1 |
0.717 |
3 |
0 |
0 |
0.106 |
33 |
66 |
|
[PO4]I:302 |
5 |
1 |
188 |
f |
J |
x,y,z |
1_555 |
15 |
5 |
11383 |
75.8 |
-5.0 |
0.726 |
2 |
0 |
0 |
0.124 |
34 |
67 |
|
[PO4]A:301 |
5 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
11725 |
75.8 |
-4.0 |
0.843 |
2 |
0 |
0 |
0.068 |
68 |
|
[PO4]D:302 |
5 |
1 |
190 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
11880 |
75.1 |
-4.1 |
0.815 |
3 |
0 |
0 |
0.068 |
Average: |
75.5 |
-4.0 |
0.829 |
3 |
0 |
0 |
0.068 |
35 |
69 |
|
[PO4]D:302 |
5 |
1 |
190 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
11725 |
75.8 |
-4.9 |
0.746 |
2 |
0 |
0 |
0.126 |
70 |
|
[PO4]A:301 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11626 |
75.4 |
-5.0 |
0.728 |
3 |
0 |
0 |
0.126 |
Average: |
75.6 |
-5.0 |
0.737 |
3 |
0 |
0 |
0.126 |
36 |
71 |
|
[NAG]J:301 |
7 |
1 |
347 |
◊ |
[NAG]G:301 |
x,y-1,z |
1_545 |
7 |
1 |
356 |
75.8 |
1.9 |
0.104 |
1 |
0 |
0 |
0.000 |
37 |
72 |
|
[PO4]B:301 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11442 |
75.7 |
-4.9 |
0.764 |
3 |
0 |
0 |
0.088 |
38 |
73 |
|
[PO4]H:301 |
5 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
17 |
6 |
11468 |
75.6 |
-4.9 |
0.769 |
3 |
0 |
0 |
0.126 |
39 |
74 |
|
[PO4]B:301 |
5 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
11231 |
75.3 |
-4.0 |
0.838 |
3 |
0 |
0 |
0.035 |
40 |
75 |
|
[PO4]F:302 |
5 |
1 |
189 |
f |
G |
x,y,z |
1_555 |
13 |
4 |
11564 |
75.3 |
-4.8 |
0.760 |
3 |
0 |
0 |
0.130 |
41 |
76 |
|
[PO4]I:301 |
5 |
1 |
188 |
f |
I |
x,y,z |
1_555 |
16 |
5 |
11667 |
75.1 |
-5.0 |
0.725 |
3 |
0 |
0 |
0.125 |
42 |
77 |
|
[PO4]A:302 |
5 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11626 |
75.0 |
-4.0 |
0.832 |
4 |
0 |
0 |
0.038 |
43 |
78 |
|
[PO4]I:302 |
5 |
1 |
188 |
◊ |
I |
x,y,z |
1_555 |
14 |
6 |
11667 |
74.9 |
-4.0 |
0.817 |
3 |
0 |
0 |
0.036 |
44 |
79 |
|
[PO4]I:301 |
5 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
11468 |
74.8 |
-4.1 |
0.831 |
3 |
0 |
0 |
0.037 |
45 |
80 |
|
[PO4]F:302 |
5 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
11555 |
74.4 |
-4.1 |
0.827 |
2 |
0 |
0 |
0.034 |
46 |
81 |
|
[PO4]D:301 |
5 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
11442 |
74.4 |
-4.5 |
0.695 |
1 |
0 |
0 |
0.032 |
47 |
82 |
|
[PO4]H:301 |
5 |
1 |
189 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
11564 |
74.4 |
-4.0 |
0.827 |
3 |
0 |
0 |
0.036 |
48 |
83 |
|
[PO4]F:301 |
5 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
11555 |
74.0 |
-4.7 |
0.779 |
3 |
0 |
0 |
0.106 |
49 |
84 |
|
C |
9 |
5 |
11442 |
◊ |
C |
-x,y,-z+1 |
2_556 |
9 |
5 |
11442 |
73.4 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
50 |
85 |
|
[NAG]G:301 |
6 |
1 |
356 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
11725 |
73.4 |
2.2 |
0.462 |
0 |
0 |
0 |
0.000 |
51 |
86 |
|
H |
12 |
6 |
11468 |
x |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
15 |
8 |
11468 |
64.4 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
52 |
87 |
|
[NAG]F:303 |
5 |
1 |
344 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11626 |
57.6 |
2.0 |
0.544 |
1 |
0 |
0 |
0.000 |
53 |
88 |
|
[NAG]E:301 |
4 |
1 |
359 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
11564 |
57.4 |
0.9 |
0.382 |
0 |
0 |
0 |
0.000 |
54 |
89 |
|
H |
5 |
1 |
11468 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
2 |
11564 |
56.6 |
0.6 |
0.566 |
1 |
1 |
0 |
0.000 |
55 |
90 |
|
[NAG]I:303 |
3 |
1 |
352 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
11442 |
48.0 |
2.1 |
0.744 |
0 |
0 |
0 |
0.000 |
56 |
91 |
|
J |
7 |
3 |
11383 |
◊ |
G |
x,y-1,z |
1_545 |
4 |
2 |
11564 |
42.4 |
1.0 |
0.802 |
1 |
2 |
0 |
0.000 |
57 |
92 |
|
J |
5 |
3 |
11383 |
◊ |
[NAG]G:301 |
x,y-1,z |
1_545 |
3 |
1 |
356 |
41.8 |
0.9 |
0.456 |
1 |
0 |
0 |
0.000 |
58 |
93 |
|
A |
7 |
2 |
11626 |
◊ |
E |
x,y-1,z |
1_545 |
3 |
1 |
11725 |
39.3 |
0.8 |
0.821 |
0 |
0 |
0 |
0.000 |
59 |
94 |
|
[NAG]B:302 |
2 |
1 |
344 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
11383 |
39.1 |
0.8 |
0.545 |
1 |
0 |
0 |
0.000 |
60 |
95 |
|
[NAG]J:301 |
4 |
1 |
347 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
2 |
11880 |
38.2 |
0.9 |
0.347 |
1 |
0 |
0 |
0.000 |
61 |
96 |
|
F |
3 |
2 |
11555 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
10 |
5 |
11725 |
37.3 |
1.3 |
0.800 |
0 |
0 |
0 |
0.000 |
62 |
97 |
|
[NAG]D:303 |
2 |
1 |
348 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
11468 |
35.8 |
1.0 |
0.653 |
0 |
0 |
0 |
0.000 |
63 |
98 |
|
[NAG]B:302 |
7 |
1 |
344 |
◊ |
G |
x,y-1,z |
1_545 |
4 |
2 |
11564 |
34.7 |
1.6 |
0.266 |
0 |
0 |
0 |
0.000 |
64 |
99 |
|
A |
3 |
3 |
11626 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
4 |
2 |
11555 |
32.9 |
1.3 |
0.911 |
0 |
0 |
0 |
0.000 |
65 |
100 |
|
[NAG]H:302 |
3 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11442 |
28.5 |
0.4 |
0.373 |
0 |
0 |
0 |
0.000 |
66 |
101 |
|
[NAG]J:301 |
2 |
1 |
347 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
11231 |
27.9 |
0.1 |
0.333 |
0 |
0 |
0 |
0.000 |
67 |
102 |
|
[NAG]G:301 |
4 |
1 |
356 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11880 |
27.1 |
0.9 |
0.410 |
0 |
0 |
0 |
0.000 |
68 |
103 |
|
E |
4 |
2 |
11725 |
x |
E |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
11725 |
22.4 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
69 |
104 |
|
[NAG]A:303 |
2 |
1 |
352 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
11555 |
21.7 |
0.5 |
0.412 |
1 |
0 |
0 |
0.000 |
70 |
105 |
|
A |
4 |
1 |
11626 |
◊ |
[NAG]E:301 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
359 |
18.4 |
0.5 |
0.587 |
0 |
0 |
0 |
0.000 |
71 |
106 |
|
I |
3 |
1 |
11667 |
◊ |
[NAG]H:302 |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
359 |
17.9 |
0.6 |
0.651 |
0 |
0 |
0 |
0.000 |
72 |
107 |
|
A |
2 |
1 |
11626 |
◊ |
[NAG]F:303 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
344 |
14.9 |
0.9 |
0.836 |
0 |
0 |
0 |
0.000 |
73 |
108 |
|
I |
3 |
2 |
11667 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
11442 |
14.6 |
0.5 |
0.712 |
0 |
0 |
0 |
0.000 |
74 |
109 |
|
J |
4 |
2 |
11383 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
3 |
3 |
11725 |
11.6 |
0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
75 |
110 |
|
[NAG]E:301 |
1 |
1 |
359 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11555 |
10.2 |
-0.1 |
0.339 |
0 |
0 |
0 |
0.000 |
76 |
111 |
|
[NAG]F:303 |
2 |
1 |
344 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11725 |
8.9 |
0.4 |
0.450 |
0 |
0 |
0 |
0.000 |
77 |
112 |
|
I |
1 |
1 |
11667 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
11442 |
8.3 |
-0.0 |
0.443 |
0 |
0 |
0 |
0.000 |
78 |
113 |
|
J |
2 |
1 |
11383 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
11725 |
6.3 |
-0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
79 |
114 |
|
G |
1 |
1 |
11564 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
11626 |
5.2 |
-0.2 |
0.312 |
0 |
0 |
0 |
0.000 |
80 |
115 |
|
[NAG]I:303 |
1 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11231 |
5.0 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
81 |
116 |
|
G |
3 |
2 |
11564 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
11231 |
4.7 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
82 |
117 |
|
J |
2 |
1 |
11383 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
11880 |
4.6 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
83 |
118 |
|
E |
1 |
1 |
11725 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
11880 |
4.2 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
84 |
119 |
|
E |
1 |
1 |
11725 |
◊ |
[NAG]E:301 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
359 |
3.8 |
0.2 |
0.460 |
0 |
0 |
0 |
0.000 |
85 |
120 |
|
[NAG]D:303 |
1 |
1 |
348 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11564 |
2.9 |
-0.0 |
0.238 |
0 |
0 |
0 |
0.000 |
86 |
121 |
|
I |
1 |
1 |
11667 |
◊ |
[NAG]D:303 |
x,y-1,z |
1_545 |
1 |
1 |
348 |
2.1 |
0.0 |
0.318 |
0 |
0 |
0 |
0.000 |
87 |
122 |
|
J |
1 |
1 |
11383 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
11880 |
1.6 |
0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
88 |
123 |
|
J |
1 |
1 |
11383 |
◊ |
F |
-x-1,y,-z |
2_455 |
1 |
1 |
11555 |
1.6 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
89 |
124 |
|
[NAG]J:301 |
2 |
1 |
347 |
◊ |
G |
x,y-1,z |
1_545 |
1 |
1 |
11564 |
1.4 |
0.0 |
0.354 |
0 |
0 |
0 |
0.000 |
90 |
125 |
|
B |
2 |
2 |
11231 |
◊ |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
2 |
11468 |
1.1 |
0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
91 |
126 |
|
H |
1 |
1 |
11468 |
◊ |
[NAG]H:302 |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
359 |
1.1 |
0.0 |
0.311 |
0 |
0 |
0 |
0.000 |
|