| ## |
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 |
132 |
39 |
12270 |
◊ |
D |
x,y,z |
1_555 |
143 |
40 |
11912 |
1311.5 |
-8.3 |
0.314 |
15 |
5 |
0 |
0.833 |
2 |
|
H |
138 |
40 |
12174 |
◊ |
G |
x,y,z |
1_555 |
143 |
39 |
11993 |
1306.2 |
-11.6 |
0.206 |
13 |
2 |
0 |
0.833 |
3 |
|
G |
130 |
40 |
11993 |
◊ |
F |
x,y,z |
1_555 |
139 |
37 |
11970 |
1285.2 |
-11.1 |
0.209 |
14 |
4 |
0 |
0.833 |
4 |
|
J |
139 |
41 |
12113 |
◊ |
F |
x,y,z |
1_555 |
136 |
41 |
11970 |
1283.7 |
-9.9 |
0.267 |
13 |
5 |
0 |
0.833 |
5 |
|
E |
133 |
40 |
12270 |
◊ |
A |
x,y,z |
1_555 |
130 |
39 |
12012 |
1280.4 |
-11.2 |
0.199 |
11 |
6 |
0 |
0.833 |
6 |
|
I |
134 |
41 |
11905 |
◊ |
H |
x,y,z |
1_555 |
133 |
39 |
12174 |
1271.2 |
-10.7 |
0.213 |
15 |
3 |
0 |
0.833 |
7 |
|
C |
124 |
37 |
12178 |
◊ |
B |
x,y,z |
1_555 |
134 |
38 |
11997 |
1268.3 |
-11.5 |
0.176 |
15 |
2 |
0 |
0.833 |
8 |
|
B |
123 |
37 |
11997 |
◊ |
A |
x,y,z |
1_555 |
136 |
38 |
12012 |
1256.7 |
-10.9 |
0.224 |
11 |
3 |
0 |
0.833 |
9 |
|
J |
131 |
39 |
12113 |
◊ |
I |
x,y,z |
1_555 |
135 |
39 |
11905 |
1254.5 |
-11.2 |
0.208 |
14 |
5 |
0 |
0.833 |
10 |
|
D |
134 |
38 |
11912 |
◊ |
C |
x,y,z |
1_555 |
135 |
36 |
12178 |
1245.1 |
-9.9 |
0.220 |
15 |
5 |
0 |
0.833 |
| Average: |
1276.3 |
-10.6 |
0.224 |
14 |
4 |
0 |
0.833 |
| 2 |
11 |
|
C |
60 |
15 |
12178 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
60 |
16 |
11993 |
533.4 |
1.4 |
0.752 |
5 |
1 |
0 |
0.000 |
12 |
|
E |
57 |
16 |
12270 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
58 |
14 |
12113 |
472.2 |
-1.0 |
0.600 |
6 |
0 |
0 |
0.000 |
13 |
|
B |
52 |
16 |
11997 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
57 |
16 |
12174 |
462.1 |
0.8 |
0.743 |
4 |
3 |
0 |
0.000 |
| Average: |
489.2 |
0.4 |
0.698 |
5 |
1 |
0 |
0.000 |
| 3 |
14 |
|
[MLK]I:301 |
36 |
1 |
817 |
◊ |
I |
x,y,z |
1_555 |
65 |
16 |
11905 |
434.5 |
-2.3 |
0.376 |
0 |
0 |
0 |
0.084 |
15 |
|
[MLK]G:301 |
36 |
1 |
809 |
◊ |
G |
x,y,z |
1_555 |
70 |
16 |
11993 |
421.8 |
0.7 |
0.613 |
2 |
0 |
0 |
0.084 |
16 |
|
[MLK]H:301 |
36 |
1 |
819 |
◊ |
H |
x,y,z |
1_555 |
66 |
16 |
12174 |
419.0 |
-0.3 |
0.453 |
0 |
0 |
0 |
0.084 |
17 |
|
[MLK]F:301 |
31 |
1 |
815 |
◊ |
F |
x,y,z |
1_555 |
63 |
15 |
11970 |
418.2 |
-2.4 |
0.438 |
0 |
0 |
0 |
0.084 |
18 |
|
[MLK]C:301 |
33 |
1 |
824 |
◊ |
C |
x,y,z |
1_555 |
63 |
14 |
12178 |
417.6 |
-2.5 |
0.367 |
0 |
0 |
0 |
0.084 |
19 |
|
[MLK]J:301 |
33 |
1 |
818 |
◊ |
J |
x,y,z |
1_555 |
59 |
14 |
12113 |
405.4 |
-2.3 |
0.345 |
0 |
0 |
0 |
0.084 |
20 |
|
[MLK]D:301 |
33 |
1 |
818 |
◊ |
D |
x,y,z |
1_555 |
62 |
15 |
11912 |
404.8 |
-1.7 |
0.353 |
0 |
0 |
0 |
0.084 |
21 |
|
[MLK]B:301 |
34 |
1 |
810 |
◊ |
B |
x,y,z |
1_555 |
58 |
14 |
11997 |
400.5 |
-1.9 |
0.364 |
0 |
0 |
0 |
0.084 |
22 |
|
[MLK]A:301 |
30 |
1 |
821 |
◊ |
A |
x,y,z |
1_555 |
61 |
15 |
12012 |
388.4 |
-2.5 |
0.382 |
0 |
0 |
0 |
0.084 |
| Average: |
412.2 |
-1.7 |
0.410 |
0 |
0 |
0 |
0.084 |
| 4 |
23 |
|
[MLK]E:301 |
36 |
1 |
826 |
◊ |
E |
x,y,z |
1_555 |
66 |
16 |
12270 |
429.2 |
-0.9 |
0.419 |
1 |
0 |
0 |
0.013 |
| 5 |
24 |
|
[MLK]C:301 |
18 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
26 |
7 |
11997 |
208.0 |
-2.5 |
0.310 |
1 |
0 |
0 |
0.776 |
25 |
|
[MLK]F:301 |
19 |
1 |
815 |
f |
J |
x,y,z |
1_555 |
22 |
9 |
12113 |
206.1 |
-1.5 |
0.392 |
1 |
0 |
0 |
0.776 |
26 |
|
[MLK]A:301 |
18 |
1 |
821 |
f |
E |
x,y,z |
1_555 |
23 |
7 |
12270 |
200.2 |
-1.7 |
0.300 |
1 |
0 |
0 |
0.776 |
27 |
|
[MLK]G:301 |
16 |
1 |
809 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
11970 |
196.2 |
-1.2 |
0.392 |
1 |
0 |
0 |
0.776 |
28 |
|
[MLK]H:301 |
17 |
1 |
819 |
f |
G |
x,y,z |
1_555 |
22 |
9 |
11993 |
195.5 |
-2.8 |
0.274 |
1 |
0 |
0 |
0.776 |
29 |
|
[MLK]D:301 |
19 |
1 |
818 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
12178 |
195.5 |
-1.7 |
0.312 |
1 |
0 |
0 |
0.776 |
30 |
|
[MLK]I:301 |
18 |
1 |
817 |
f |
H |
x,y,z |
1_555 |
21 |
8 |
12174 |
194.0 |
-1.4 |
0.339 |
1 |
0 |
0 |
0.776 |
31 |
|
[MLK]B:301 |
18 |
1 |
810 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
12012 |
193.8 |
-2.7 |
0.261 |
1 |
0 |
0 |
0.776 |
32 |
|
[MLK]J:301 |
17 |
1 |
818 |
f |
I |
x,y,z |
1_555 |
22 |
7 |
11905 |
191.0 |
-2.2 |
0.233 |
1 |
0 |
0 |
0.776 |
33 |
|
[MLK]E:301 |
19 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
11912 |
174.7 |
-1.6 |
0.304 |
1 |
0 |
0 |
0.776 |
| Average: |
195.5 |
-1.9 |
0.312 |
1 |
0 |
0 |
0.776 |
| 6 |
34 |
|
G |
17 |
5 |
11993 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
11997 |
174.5 |
1.4 |
0.795 |
0 |
6 |
0 |
0.000 |
35 |
|
F |
16 |
6 |
11970 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
12178 |
161.9 |
3.1 |
0.853 |
4 |
5 |
0 |
0.000 |
36 |
|
I |
18 |
4 |
11905 |
◊ |
E |
x,y,z |
1_555 |
18 |
6 |
12270 |
157.5 |
3.1 |
0.913 |
1 |
4 |
0 |
0.000 |
37 |
|
H |
15 |
5 |
12174 |
◊ |
A |
x,y,z |
1_555 |
22 |
5 |
12012 |
148.1 |
3.8 |
0.920 |
1 |
1 |
0 |
0.000 |
38 |
|
J |
14 |
4 |
12113 |
◊ |
D |
x,y,z |
1_555 |
12 |
2 |
11912 |
122.7 |
1.1 |
0.786 |
1 |
0 |
0 |
0.000 |
| Average: |
152.9 |
2.5 |
0.853 |
1 |
3 |
0 |
0.000 |
| 7 |
39 |
|
[NAG]D:250 |
13 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
20 |
8 |
11912 |
167.2 |
5.0 |
0.477 |
1 |
0 |
0 |
0.000 |
40 |
|
[NAG]B:250 |
12 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
11997 |
148.2 |
4.3 |
0.485 |
1 |
0 |
0 |
0.000 |
| Average: |
157.7 |
4.7 |
0.481 |
1 |
0 |
0 |
0.000 |
| 8 |
41 |
|
[MPD]C:306 |
6 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
12178 |
161.6 |
-9.6 |
0.722 |
5 |
0 |
0 |
0.116 |
| 9 |
42 |
|
[NAG]A:250 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
24 |
9 |
12012 |
160.3 |
3.4 |
0.394 |
2 |
0 |
0 |
0.000 |
| 10 |
43 |
|
[NAG]I:250 |
12 |
1 |
361 |
cf |
I |
x,y,z |
1_555 |
18 |
7 |
11905 |
152.0 |
4.2 |
0.459 |
0 |
0 |
0 |
0.000 |
| 11 |
44 |
|
[NAG]J:250 |
12 |
1 |
361 |
cf |
J |
x,y,z |
1_555 |
17 |
7 |
12113 |
150.6 |
4.6 |
0.483 |
0 |
0 |
0 |
0.000 |
45 |
|
[NAG]C:250 |
10 |
1 |
351 |
cf |
C |
x,y,z |
1_555 |
15 |
6 |
12178 |
122.3 |
2.9 |
0.369 |
1 |
0 |
0 |
0.000 |
| Average: |
136.4 |
3.8 |
0.426 |
1 |
0 |
0 |
0.000 |
| 12 |
46 |
|
[NAG]G:250 |
11 |
1 |
363 |
cf |
G |
x,y,z |
1_555 |
20 |
7 |
11993 |
144.4 |
4.4 |
0.494 |
0 |
0 |
0 |
0.000 |
| 13 |
47 |
|
[NAG]E:250 |
11 |
1 |
358 |
cf |
E |
x,y,z |
1_555 |
17 |
7 |
12270 |
142.0 |
4.4 |
0.497 |
0 |
0 |
0 |
0.000 |
| 14 |
48 |
|
[NAG]F:250 |
11 |
1 |
356 |
cf |
F |
x,y,z |
1_555 |
19 |
6 |
11970 |
133.7 |
3.9 |
0.434 |
1 |
0 |
0 |
0.000 |
| 15 |
49 |
|
[NAG]H:250 |
12 |
1 |
353 |
cf |
H |
x,y,z |
1_555 |
14 |
6 |
12174 |
125.8 |
3.0 |
0.356 |
0 |
0 |
0 |
0.000 |
| 16 |
50 |
|
[MPD]G:305 |
7 |
1 |
278 |
f |
G |
x,y,z |
1_555 |
16 |
7 |
11993 |
120.5 |
-7.4 |
0.705 |
2 |
0 |
0 |
0.388 |
| 17 |
51 |
|
[MPD]A:223 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11997 |
119.9 |
-7.1 |
0.752 |
2 |
0 |
0 |
0.151 |
| 18 |
52 |
|
[MRD]D:305 |
7 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
11912 |
115.1 |
-0.0 |
0.275 |
1 |
0 |
0 |
0.005 |
| 19 |
53 |
|
[MRD]F:305 |
5 |
1 |
273 |
◊ |
F |
x,y,z |
1_555 |
17 |
8 |
11970 |
112.1 |
1.5 |
0.488 |
2 |
0 |
0 |
0.000 |
| 20 |
54 |
|
[MPD]G:222 |
7 |
1 |
277 |
◊ |
G |
x,y,z |
1_555 |
15 |
6 |
11993 |
111.9 |
-6.1 |
0.852 |
0 |
0 |
0 |
0.051 |
| 21 |
55 |
|
[MPD]I:305 |
6 |
1 |
279 |
f |
I |
x,y,z |
1_555 |
17 |
8 |
11905 |
111.3 |
-6.7 |
0.723 |
2 |
0 |
0 |
0.246 |
| 22 |
56 |
|
[MRD]E:305 |
6 |
1 |
275 |
◊ |
E |
x,y,z |
1_555 |
17 |
8 |
12270 |
107.8 |
2.1 |
0.505 |
2 |
0 |
0 |
0.000 |
| 23 |
57 |
|
[MRD]F:305 |
6 |
1 |
273 |
f |
J |
x,y,z |
1_555 |
15 |
6 |
12113 |
107.6 |
0.8 |
0.380 |
1 |
0 |
0 |
0.000 |
| 24 |
58 |
|
[MPD]I:305 |
7 |
1 |
279 |
◊ |
H |
x,y,z |
1_555 |
16 |
6 |
12174 |
107.6 |
-5.4 |
0.833 |
1 |
0 |
0 |
0.049 |
| 25 |
59 |
|
[NAG]I:275 |
9 |
1 |
350 |
cf |
I |
x,y,z |
1_555 |
13 |
5 |
11905 |
106.4 |
3.0 |
0.446 |
0 |
0 |
0 |
0.000 |
| 26 |
60 |
|
[MRD]A:305 |
6 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12012 |
105.3 |
1.9 |
0.475 |
2 |
0 |
0 |
0.000 |
| 27 |
61 |
|
[MRD]A:305 |
6 |
1 |
273 |
◊ |
E |
x,y,z |
1_555 |
16 |
6 |
12270 |
104.8 |
1.2 |
0.389 |
1 |
0 |
0 |
0.000 |
| 28 |
62 |
|
[MPD]A:223 |
7 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
12012 |
102.0 |
-5.0 |
0.886 |
2 |
0 |
0 |
0.058 |
| 29 |
63 |
|
[MRD]E:305 |
7 |
1 |
275 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
11912 |
101.0 |
0.5 |
0.312 |
1 |
0 |
0 |
0.000 |
| 30 |
64 |
|
[MPD]G:305 |
6 |
1 |
278 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
11970 |
100.5 |
-5.2 |
0.821 |
0 |
0 |
0 |
0.043 |
| 31 |
65 |
|
[MRD]B:305 |
6 |
1 |
270 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11997 |
100.1 |
3.5 |
0.613 |
0 |
0 |
0 |
0.000 |
| 32 |
66 |
|
[NAG]E:275 |
10 |
1 |
360 |
cf |
E |
x,y,z |
1_555 |
10 |
5 |
12270 |
98.0 |
3.1 |
0.376 |
0 |
0 |
0 |
0.000 |
| 33 |
67 |
|
[MPD]A:306 |
6 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12012 |
97.6 |
-5.8 |
0.680 |
4 |
0 |
0 |
0.357 |
| 34 |
68 |
|
[MPD]J:305 |
6 |
1 |
282 |
f |
J |
x,y,z |
1_555 |
17 |
8 |
12113 |
97.2 |
-5.6 |
0.751 |
1 |
0 |
0 |
0.050 |
| 35 |
69 |
|
[MPD]G:222 |
6 |
1 |
277 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
12174 |
96.2 |
-5.3 |
0.760 |
2 |
0 |
0 |
1.000 |
| 36 |
70 |
|
[MRD]D:305 |
6 |
1 |
270 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
12178 |
95.7 |
2.6 |
0.529 |
0 |
0 |
0 |
0.000 |
| 37 |
71 |
|
H |
9 |
3 |
12174 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
12270 |
93.4 |
-0.9 |
0.387 |
2 |
5 |
0 |
0.503 |
72 |
|
F |
8 |
3 |
11970 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
11997 |
90.3 |
-0.3 |
0.537 |
0 |
6 |
0 |
0.503 |
73 |
|
J |
8 |
3 |
12113 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12178 |
87.8 |
-0.1 |
0.553 |
0 |
4 |
0 |
0.503 |
74 |
|
G |
9 |
3 |
11993 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12012 |
87.2 |
-0.3 |
0.537 |
0 |
6 |
0 |
0.503 |
75 |
|
I |
8 |
3 |
11905 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
11912 |
77.9 |
-0.3 |
0.524 |
0 |
6 |
0 |
0.503 |
| Average: |
87.3 |
-0.4 |
0.508 |
0 |
5 |
0 |
0.503 |
| 38 |
76 |
|
[MPD]J:305 |
6 |
1 |
282 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
11905 |
90.9 |
-4.8 |
0.821 |
0 |
0 |
0 |
0.040 |
| 39 |
77 |
|
[MRD]B:305 |
6 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
12178 |
90.1 |
0.7 |
0.333 |
1 |
0 |
0 |
0.000 |
| 40 |
78 |
|
[NAG]B:275 |
10 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
11 |
4 |
11997 |
89.2 |
2.2 |
0.280 |
1 |
0 |
0 |
0.000 |
| 41 |
79 |
|
[NAG]H:251 |
9 |
1 |
354 |
cf |
[NAG]H:250 |
x,y,z |
1_555 |
7 |
1 |
353 |
73.1 |
1.5 |
0.098 |
0 |
0 |
0 |
0.000 |
| 42 |
80 |
|
[NAG]E:251 |
10 |
1 |
355 |
cf |
[NAG]E:250 |
x,y,z |
1_555 |
6 |
1 |
358 |
72.2 |
1.8 |
0.103 |
0 |
0 |
0 |
0.000 |
| 43 |
81 |
|
[NAG]J:251 |
8 |
1 |
355 |
cf |
[NAG]J:250 |
x,y,z |
1_555 |
5 |
1 |
361 |
71.8 |
2.1 |
0.175 |
0 |
0 |
0 |
0.000 |
| 44 |
82 |
|
[ACT]G:308 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
12012 |
70.2 |
-1.1 |
0.415 |
0 |
0 |
0 |
0.050 |
| 45 |
83 |
|
[BMA]J:252 |
7 |
1 |
292 |
cf |
[NAG]J:251 |
x,y,z |
1_555 |
7 |
1 |
355 |
69.9 |
1.8 |
0.119 |
0 |
0 |
0 |
0.000 |
| 46 |
84 |
|
[NAG]D:251 |
8 |
1 |
338 |
cf |
[NAG]D:250 |
x,y,z |
1_555 |
5 |
1 |
363 |
69.8 |
1.6 |
0.131 |
0 |
0 |
0 |
0.000 |
| 47 |
85 |
|
[NAG]A:251 |
8 |
1 |
355 |
cf |
[NAG]A:250 |
x,y,z |
1_555 |
5 |
1 |
360 |
69.7 |
2.1 |
0.168 |
0 |
0 |
0 |
0.000 |
| 48 |
86 |
|
[NAG]G:251 |
9 |
1 |
358 |
cf |
[NAG]G:250 |
x,y,z |
1_555 |
6 |
1 |
363 |
68.5 |
1.7 |
0.096 |
0 |
0 |
0 |
0.000 |
| 49 |
87 |
|
[BMA]H:252 |
7 |
1 |
289 |
cf |
[NAG]H:251 |
x,y,z |
1_555 |
8 |
1 |
354 |
64.3 |
1.8 |
0.103 |
1 |
0 |
0 |
0.000 |
| 50 |
88 |
|
[ACT]G:308 |
3 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
12 |
3 |
11993 |
63.8 |
-0.7 |
0.526 |
0 |
0 |
0 |
0.034 |
| 51 |
89 |
|
A |
8 |
3 |
12012 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
12174 |
61.5 |
0.1 |
0.633 |
2 |
2 |
0 |
0.000 |
90 |
|
B |
4 |
2 |
11997 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
3 |
3 |
11993 |
45.1 |
0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
91 |
|
E |
3 |
1 |
12270 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
3 |
1 |
11905 |
21.2 |
0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
| Average: |
42.6 |
0.2 |
0.568 |
1 |
1 |
0 |
0.000 |
| 52 |
92 |
|
E |
7 |
3 |
12270 |
◊ |
[BMA]J:252 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
292 |
55.4 |
0.7 |
0.297 |
1 |
0 |
0 |
0.000 |
| 53 |
93 |
|
[NAG]G:251 |
4 |
1 |
358 |
f |
G |
x,y,z |
1_555 |
8 |
2 |
11993 |
51.3 |
1.8 |
0.614 |
0 |
0 |
0 |
0.000 |
| 54 |
94 |
|
[NAG]E:251 |
4 |
1 |
355 |
f |
E |
x,y,z |
1_555 |
12 |
3 |
12270 |
49.4 |
1.3 |
0.541 |
0 |
0 |
0 |
0.000 |
95 |
|
[NAG]J:251 |
4 |
1 |
355 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
12113 |
20.6 |
0.4 |
0.366 |
0 |
0 |
0 |
0.000 |
| Average: |
35.0 |
0.9 |
0.454 |
0 |
0 |
0 |
0.000 |
| 55 |
96 |
|
C |
5 |
1 |
12178 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
11970 |
44.6 |
-0.8 |
0.323 |
0 |
0 |
0 |
0.000 |
97 |
|
D |
2 |
1 |
11912 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
4 |
1 |
12113 |
13.6 |
-0.1 |
0.431 |
0 |
0 |
0 |
0.000 |
| Average: |
29.1 |
-0.5 |
0.377 |
0 |
0 |
0 |
0.000 |
| 56 |
98 |
|
[NAG]D:251 |
4 |
1 |
338 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
11912 |
43.9 |
1.2 |
0.502 |
0 |
0 |
0 |
0.000 |
| 57 |
99 |
|
[NAG]H:251 |
4 |
1 |
354 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
12174 |
38.1 |
1.0 |
0.443 |
0 |
0 |
0 |
0.000 |
| 58 |
100 |
|
[MG]B:222 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11997 |
37.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
1.000 |
101 |
|
[MG]E:222 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
12174 |
37.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
1.000 |
102 |
|
[MG]C:222 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
12113 |
36.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
1.000 |
103 |
|
[MG]I:222 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11912 |
35.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
1.000 |
104 |
|
[MG]E:222 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
12270 |
35.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
1.000 |
105 |
|
[MG]I:222 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
11905 |
35.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
1.000 |
106 |
|
[MG]A:222 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
11993 |
34.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
1.000 |
107 |
|
[MG]B:222 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
11970 |
34.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
1.000 |
108 |
|
[MG]A:222 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12012 |
34.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
1.000 |
109 |
|
[MG]C:222 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12178 |
34.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
35.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
1.000 |
| 59 |
110 |
|
[NAG]A:251 |
6 |
1 |
355 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12012 |
25.9 |
0.5 |
0.241 |
0 |
0 |
0 |
0.000 |
| 60 |
111 |
|
F |
4 |
2 |
11970 |
◊ |
I |
x-1,y,z |
1_455 |
2 |
1 |
11905 |
21.4 |
0.9 |
0.858 |
0 |
0 |
0 |
0.000 |
| 61 |
112 |
|
D |
2 |
1 |
11912 |
◊ |
[NAG]A:251 |
x-1,y,z |
1_455 |
4 |
1 |
355 |
21.1 |
-0.0 |
0.186 |
0 |
0 |
0 |
0.000 |
| 62 |
113 |
|
[MPD]A:306 |
1 |
1 |
282 |
f |
[MRD]A:305 |
x,y,z |
1_555 |
3 |
1 |
273 |
20.8 |
-0.6 |
0.545 |
0 |
0 |
0 |
0.026 |
| 63 |
114 |
|
[NAG]I:275 |
4 |
1 |
350 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
12113 |
16.5 |
1.0 |
0.440 |
0 |
0 |
0 |
0.000 |
| 64 |
115 |
|
[MLK]E:301 |
1 |
1 |
826 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12113 |
12.3 |
0.6 |
0.828 |
0 |
0 |
0 |
0.000 |
116 |
|
C |
1 |
1 |
12178 |
◊ |
[MLK]G:301 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
809 |
5.7 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
117 |
|
B |
1 |
1 |
11997 |
◊ |
[MLK]H:301 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
819 |
3.4 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
| Average: |
7.1 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
| 65 |
118 |
|
E |
1 |
1 |
12270 |
◊ |
[NAG]J:251 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
355 |
4.2 |
0.1 |
0.327 |
0 |
0 |
0 |
0.000 |
| 66 |
119 |
|
[ACT]G:308 |
2 |
1 |
186 |
◊ |
[MG]A:222 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 67 |
120 |
|
[MLK]C:301 |
1 |
1 |
824 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11993 |
1.3 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
| 68 |
121 |
|
[BMA]J:252 |
1 |
1 |
292 |
f |
J |
x,y,z |
1_555 |
2 |
1 |
12113 |
1.0 |
0.0 |
0.331 |
0 |
0 |
0 |
0.000 |
|