## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
331 |
84 |
14542 |
◊ |
A |
x,y,z |
1_555 |
364 |
98 |
20699 |
3321.1 |
-55.9 |
0.432 |
26 |
7 |
0 |
0.199 |
2 |
|
C |
263 |
63 |
14553 |
◊ |
A |
x,y,z |
1_555 |
271 |
73 |
20699 |
2402.9 |
-51.3 |
0.260 |
17 |
6 |
0 |
0.156 |
3 |
|
L |
155 |
33 |
4501 |
◊ |
A |
x,y,z |
1_555 |
188 |
55 |
20699 |
1602.4 |
-29.7 |
0.515 |
11 |
0 |
0 |
0.119 |
4 |
|
I |
164 |
37 |
7205 |
◊ |
B |
x,y,z |
1_555 |
173 |
47 |
14542 |
1588.2 |
-29.4 |
0.350 |
17 |
4 |
0 |
0.704 |
5 |
|
G |
152 |
41 |
6607 |
◊ |
C |
x,y,z |
1_555 |
177 |
47 |
14553 |
1533.1 |
-24.4 |
0.671 |
15 |
4 |
0 |
0.381 |
6 |
|
K |
143 |
33 |
5110 |
◊ |
D |
x,y,z |
1_555 |
159 |
39 |
12061 |
1424.6 |
-31.3 |
0.211 |
8 |
1 |
0 |
0.765 |
7 |
|
J |
129 |
31 |
5248 |
◊ |
C |
x,y,z |
1_555 |
137 |
39 |
14553 |
1294.2 |
-27.8 |
0.445 |
11 |
5 |
0 |
0.287 |
8 |
|
F |
130 |
38 |
7153 |
◊ |
A |
x,y,z |
1_555 |
126 |
30 |
20699 |
1237.5 |
-15.1 |
0.528 |
16 |
0 |
0 |
0.076 |
9 |
|
E |
139 |
34 |
6248 |
◊ |
D |
x,y,z |
1_555 |
140 |
33 |
12061 |
1235.2 |
-9.1 |
0.644 |
19 |
8 |
0 |
0.152 |
10 |
|
D |
124 |
32 |
12061 |
◊ |
A |
x,y,z |
1_555 |
123 |
40 |
20699 |
1199.8 |
-17.9 |
0.439 |
10 |
6 |
0 |
0.080 |
11 |
|
M |
92 |
21 |
4207 |
◊ |
A |
x,y,z |
1_555 |
116 |
34 |
20699 |
956.7 |
-17.6 |
0.654 |
15 |
3 |
0 |
0.085 |
12 |
|
H |
101 |
22 |
5329 |
◊ |
B |
x,y,z |
1_555 |
111 |
28 |
14542 |
946.1 |
-5.2 |
0.436 |
17 |
1 |
0 |
0.104 |
13 |
|
[HEA]A:601 |
60 |
1 |
1158 |
f |
A |
x,y,z |
1_555 |
112 |
44 |
20699 |
868.7 |
-25.6 |
0.572 |
9 |
0 |
0 |
0.102 |
14 |
|
D |
83 |
21 |
12061 |
◊ |
B |
x,y,z |
1_555 |
97 |
27 |
14542 |
836.3 |
-11.1 |
0.547 |
14 |
3 |
0 |
0.144 |
15 |
|
F |
78 |
20 |
7153 |
◊ |
C |
x,y,z |
1_555 |
98 |
30 |
14553 |
807.2 |
-7.6 |
0.564 |
14 |
2 |
0 |
0.200 |
16 |
|
[HEA]A:602 |
60 |
1 |
1164 |
f |
A |
x,y,z |
1_555 |
108 |
37 |
20699 |
784.7 |
-24.6 |
0.485 |
5 |
0 |
0 |
0.092 |
17 |
|
[PGV]C:303 |
51 |
1 |
1215 |
f |
C |
x,y,z |
1_555 |
105 |
32 |
14553 |
773.4 |
-7.1 |
0.711 |
11 |
0 |
0 |
0.212 |
18 |
|
[CDL]C:304 |
67 |
1 |
1504 |
◊ |
C |
x,y,z |
1_555 |
86 |
21 |
14553 |
719.2 |
-13.8 |
0.796 |
2 |
0 |
0 |
0.260 |
19 |
|
[CDL]L:101 |
62 |
1 |
1721 |
◊ |
A |
x,y,z |
1_555 |
83 |
24 |
20699 |
691.4 |
-18.8 |
0.300 |
0 |
0 |
0 |
0.065 |
20 |
|
M |
74 |
19 |
4207 |
◊ |
L |
x,y,z |
1_555 |
66 |
15 |
4501 |
651.4 |
-13.7 |
0.652 |
4 |
1 |
0 |
1.000 |
21 |
|
I |
50 |
13 |
7205 |
◊ |
E |
x,y,z |
1_555 |
70 |
18 |
6248 |
609.5 |
-5.3 |
0.538 |
11 |
8 |
0 |
0.092 |
22 |
|
[PGV]A:607 |
48 |
1 |
1196 |
◊ |
C |
x,y,z |
1_555 |
75 |
25 |
14553 |
506.3 |
-1.5 |
0.830 |
5 |
0 |
0 |
0.010 |
23 |
|
[CDL]L:101 |
45 |
1 |
1721 |
◊ |
L |
x,y,z |
1_555 |
54 |
14 |
4501 |
464.3 |
-8.8 |
0.757 |
2 |
0 |
0 |
0.033 |
24 |
|
I |
46 |
12 |
7205 |
◊ |
D |
x,y,z |
1_555 |
38 |
8 |
12061 |
396.1 |
-3.1 |
0.706 |
4 |
2 |
0 |
0.042 |
25 |
|
[PGV]A:607 |
42 |
1 |
1196 |
f |
A |
x,y,z |
1_555 |
51 |
17 |
20699 |
395.8 |
-8.2 |
0.195 |
5 |
0 |
0 |
0.036 |
26 |
|
[CDL]B:301 |
35 |
1 |
1375 |
f |
A |
x,y,z |
1_555 |
49 |
16 |
20699 |
390.7 |
-10.0 |
0.281 |
0 |
0 |
0 |
0.034 |
27 |
|
[PEK]G:101 |
37 |
1 |
987 |
f |
C |
x,y,z |
1_555 |
57 |
15 |
14553 |
375.8 |
-2.0 |
0.607 |
5 |
0 |
0 |
0.074 |
28 |
|
[CDL]B:301 |
40 |
1 |
1375 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
14542 |
371.1 |
-3.6 |
0.277 |
1 |
0 |
0 |
0.012 |
29 |
|
I |
41 |
10 |
7205 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
36 |
10 |
6607 |
339.4 |
-5.4 |
0.619 |
1 |
0 |
0 |
0.000 |
30 |
|
G |
37 |
10 |
6607 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
20699 |
327.5 |
-1.2 |
0.823 |
7 |
0 |
0 |
0.011 |
31 |
|
K |
31 |
10 |
5110 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
20699 |
318.0 |
-7.6 |
0.203 |
1 |
0 |
0 |
0.027 |
32 |
|
[CQX]A:606 |
22 |
1 |
637 |
f |
B |
x,y,z |
1_555 |
38 |
13 |
14542 |
300.9 |
-8.1 |
0.266 |
0 |
0 |
0 |
0.152 |
33 |
|
M |
25 |
7 |
4207 |
◊ |
D |
x,y,z |
1_555 |
26 |
8 |
12061 |
268.9 |
-7.5 |
0.219 |
0 |
0 |
0 |
0.026 |
34 |
|
E |
35 |
12 |
6248 |
◊ |
B |
x,y,z |
1_555 |
29 |
7 |
14542 |
268.1 |
-1.4 |
0.631 |
6 |
0 |
0 |
0.033 |
35 |
|
J |
25 |
11 |
5248 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
20699 |
244.4 |
-6.0 |
0.247 |
0 |
0 |
0 |
0.016 |
36 |
|
H |
29 |
11 |
5329 |
◊ |
C |
x,y,z |
1_555 |
26 |
8 |
14553 |
241.8 |
-3.2 |
0.531 |
2 |
0 |
0 |
0.009 |
37 |
|
B |
22 |
6 |
14542 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
18 |
5 |
6607 |
223.3 |
-4.7 |
0.315 |
0 |
0 |
0 |
0.000 |
38 |
|
[CQX]A:609 |
21 |
1 |
650 |
◊ |
M |
x,y,z |
1_555 |
24 |
8 |
4207 |
211.5 |
-1.4 |
0.845 |
1 |
0 |
0 |
0.006 |
39 |
|
[CHD]C:301 |
15 |
1 |
580 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
20699 |
208.4 |
2.3 |
0.621 |
1 |
0 |
0 |
0.000 |
40 |
|
H |
22 |
6 |
5329 |
◊ |
G |
x,y,z |
1_555 |
23 |
5 |
6607 |
202.4 |
-2.4 |
0.518 |
1 |
2 |
0 |
0.005 |
41 |
|
[CQX]C:305 |
15 |
1 |
659 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
14553 |
195.7 |
-5.6 |
0.488 |
0 |
0 |
0 |
0.098 |
42 |
|
[CDL]C:304 |
22 |
1 |
1504 |
◊ |
J |
x,y,z |
1_555 |
16 |
7 |
5248 |
185.6 |
-1.7 |
0.761 |
0 |
0 |
0 |
0.013 |
43 |
|
[PEK]G:101 |
17 |
1 |
987 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
20699 |
183.3 |
-3.6 |
0.201 |
0 |
0 |
0 |
0.009 |
44 |
|
[CQX]G:102 |
13 |
1 |
650 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
14553 |
170.3 |
-4.2 |
0.248 |
0 |
0 |
0 |
0.075 |
45 |
|
[CQX]A:608 |
17 |
1 |
629 |
f |
K |
x,y,z |
1_555 |
20 |
5 |
5110 |
169.4 |
-3.5 |
0.590 |
2 |
0 |
0 |
0.096 |
46 |
|
[PEK]G:101 |
19 |
1 |
987 |
◊ |
G |
x,y,z |
1_555 |
28 |
8 |
6607 |
168.5 |
-1.0 |
0.549 |
4 |
0 |
0 |
0.033 |
47 |
|
[CQX]A:606 |
20 |
1 |
637 |
◊ |
A |
x,y,z |
1_555 |
26 |
5 |
20699 |
168.5 |
-1.5 |
0.702 |
0 |
0 |
0 |
0.004 |
48 |
|
[CQX]B:303 |
12 |
1 |
412 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
14542 |
166.5 |
-3.5 |
0.320 |
1 |
0 |
0 |
0.075 |
49 |
|
K |
21 |
5 |
5110 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
14542 |
162.4 |
-3.7 |
0.335 |
0 |
0 |
0 |
0.008 |
50 |
|
E |
22 |
9 |
6248 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
12 |
4 |
5329 |
152.6 |
3.3 |
0.908 |
2 |
1 |
0 |
0.000 |
51 |
|
F |
21 |
6 |
7153 |
◊ |
E |
x,y,z |
1_555 |
18 |
4 |
6248 |
151.8 |
-0.5 |
0.512 |
1 |
1 |
0 |
0.004 |
52 |
|
[CDL]B:301 |
17 |
1 |
1375 |
◊ |
I |
x,y,z |
1_555 |
16 |
6 |
7205 |
148.0 |
0.4 |
0.823 |
1 |
0 |
0 |
0.000 |
53 |
|
[CQX]A:608 |
18 |
1 |
629 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
20699 |
147.6 |
-0.9 |
0.831 |
3 |
0 |
0 |
0.007 |
54 |
|
F |
17 |
5 |
7153 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
12061 |
145.5 |
-2.6 |
0.401 |
1 |
0 |
0 |
0.011 |
55 |
|
I |
18 |
4 |
7205 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
14553 |
142.5 |
-3.4 |
0.342 |
0 |
0 |
0 |
0.000 |
56 |
|
J |
12 |
4 |
5248 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
7153 |
142.0 |
0.4 |
0.767 |
3 |
0 |
0 |
0.002 |
57 |
|
H |
15 |
3 |
5329 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
20699 |
140.8 |
0.4 |
0.811 |
0 |
0 |
0 |
0.000 |
58 |
|
B |
13 |
3 |
14542 |
◊ |
L |
-x+1/2,-y+1,z-1/2 |
2_564 |
13 |
4 |
4501 |
136.6 |
-0.9 |
0.678 |
1 |
1 |
0 |
0.000 |
59 |
|
[CQX]G:102 |
15 |
1 |
650 |
◊ |
G |
x,y,z |
1_555 |
16 |
4 |
6607 |
136.2 |
-2.2 |
0.627 |
1 |
0 |
0 |
0.032 |
60 |
|
[CQX]C:305 |
15 |
1 |
659 |
◊ |
G |
x,y,z |
1_555 |
17 |
6 |
6607 |
132.1 |
-3.9 |
0.529 |
1 |
0 |
0 |
0.052 |
61 |
|
[HEA]A:602 |
7 |
1 |
1164 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
14542 |
130.5 |
-0.4 |
0.516 |
0 |
0 |
0 |
0.001 |
62 |
|
[CQX]A:608 |
14 |
1 |
629 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
12061 |
126.2 |
-2.5 |
0.536 |
0 |
0 |
0 |
0.056 |
63 |
|
[CQX]A:606 |
17 |
1 |
637 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
7205 |
118.1 |
-2.1 |
0.376 |
0 |
0 |
0 |
0.040 |
64 |
|
[CQX]A:609 |
16 |
1 |
650 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
20699 |
115.5 |
0.5 |
0.767 |
2 |
0 |
0 |
0.001 |
65 |
|
[CQX]A:609 |
17 |
1 |
650 |
f |
[CQX]A:608 |
x,y,z |
1_555 |
15 |
1 |
629 |
115.2 |
-1.9 |
0.729 |
0 |
0 |
0 |
0.041 |
66 |
|
[PGV]C:303 |
14 |
1 |
1215 |
◊ |
[PGV]A:607 |
x,y,z |
1_555 |
16 |
1 |
1196 |
112.2 |
0.4 |
0.587 |
0 |
0 |
0 |
0.000 |
67 |
|
[CDL]C:304 |
11 |
1 |
1504 |
◊ |
[PGV]C:303 |
x,y,z |
1_555 |
11 |
1 |
1215 |
110.8 |
-0.1 |
0.735 |
0 |
0 |
0 |
0.002 |
68 |
|
K |
12 |
2 |
5110 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
7205 |
110.0 |
-0.1 |
0.781 |
2 |
0 |
0 |
0.002 |
69 |
|
[CQX]C:306 |
12 |
1 |
652 |
f |
[CQX]C:305 |
x,y,z |
1_555 |
11 |
1 |
659 |
109.4 |
-0.5 |
0.702 |
1 |
0 |
0 |
0.017 |
70 |
|
[CQX]C:306 |
11 |
1 |
652 |
f |
C |
x,y,z |
1_555 |
23 |
7 |
14553 |
109.2 |
-0.7 |
0.802 |
0 |
0 |
0 |
0.013 |
71 |
|
K |
11 |
2 |
5110 |
◊ |
J |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
3 |
5248 |
101.5 |
-0.7 |
0.720 |
0 |
1 |
0 |
0.000 |
72 |
|
[CQX]B:303 |
8 |
1 |
412 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
16 |
5 |
6607 |
91.1 |
-0.9 |
0.621 |
0 |
0 |
0 |
0.000 |
73 |
|
I |
8 |
4 |
7205 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
20699 |
82.4 |
-1.9 |
0.261 |
0 |
0 |
0 |
0.005 |
74 |
|
B |
8 |
4 |
14542 |
◊ |
M |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
2 |
4207 |
76.3 |
-0.6 |
0.726 |
0 |
0 |
0 |
0.000 |
75 |
|
L |
6 |
2 |
4501 |
◊ |
J |
x,y,z |
1_555 |
11 |
3 |
5248 |
75.8 |
-0.6 |
0.760 |
0 |
0 |
0 |
0.002 |
76 |
|
[CQX]B:303 |
10 |
1 |
412 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
7205 |
74.7 |
-0.7 |
0.601 |
2 |
0 |
0 |
0.029 |
77 |
|
[PEK]G:101 |
8 |
1 |
987 |
◊ |
[PGV]A:607 |
x,y,z |
1_555 |
9 |
1 |
1196 |
71.4 |
-2.3 |
0.203 |
0 |
0 |
0 |
0.006 |
78 |
|
[CHD]C:301 |
6 |
1 |
580 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
14553 |
69.3 |
0.1 |
0.423 |
2 |
0 |
0 |
0.014 |
79 |
|
[PEK]G:101 |
8 |
1 |
987 |
f |
[CQX]G:102 |
x,y,z |
1_555 |
5 |
1 |
650 |
64.6 |
-0.7 |
0.451 |
0 |
0 |
0 |
0.013 |
80 |
|
[NA]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
14553 |
64.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.218 |
81 |
|
[CQX]G:102 |
6 |
1 |
650 |
f |
[CQX]C:305 |
x,y,z |
1_555 |
6 |
1 |
659 |
63.5 |
1.7 |
0.873 |
0 |
0 |
0 |
0.000 |
82 |
|
[NA]A:605 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
20699 |
63.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.043 |
83 |
|
[CU]A:603 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
20699 |
50.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.033 |
84 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
20699 |
44.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.021 |
85 |
|
[PGV]C:303 |
3 |
1 |
1215 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
7153 |
42.6 |
0.3 |
0.645 |
0 |
0 |
0 |
0.000 |
86 |
|
[CQX]A:609 |
3 |
1 |
650 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
12061 |
41.5 |
-1.3 |
0.362 |
0 |
0 |
0 |
0.029 |
87 |
|
[CQX]A:609 |
6 |
1 |
650 |
f |
K |
x,y,z |
1_555 |
4 |
1 |
5110 |
40.1 |
-0.6 |
0.516 |
0 |
0 |
0 |
0.012 |
88 |
|
[PGV]C:303 |
2 |
1 |
1215 |
f |
[CQX]C:306 |
x,y,z |
1_555 |
5 |
1 |
652 |
35.8 |
-1.1 |
0.381 |
0 |
0 |
0 |
0.020 |
89 |
|
I |
6 |
2 |
7205 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
20699 |
35.2 |
0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
90 |
|
[MG]A:604 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
14542 |
34.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.011 |
91 |
|
[HEA]A:602 |
4 |
1 |
1164 |
f |
[HEA]A:601 |
x,y,z |
1_555 |
4 |
1 |
1158 |
34.2 |
-1.9 |
0.519 |
0 |
0 |
0 |
0.006 |
92 |
|
[PGV]A:607 |
3 |
1 |
1196 |
◊ |
[CQX]G:102 |
x,y,z |
1_555 |
1 |
1 |
650 |
29.8 |
-1.0 |
0.253 |
0 |
0 |
0 |
0.002 |
93 |
|
C |
7 |
3 |
14553 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14542 |
28.5 |
0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
94 |
|
[CU]A:603 |
1 |
1 |
125 |
f |
[HEA]A:602 |
x,y,z |
1_555 |
12 |
1 |
1164 |
26.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.011 |
95 |
|
[CQX]C:306 |
4 |
1 |
652 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
6607 |
26.5 |
0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
96 |
|
[PEK]G:101 |
4 |
1 |
987 |
f |
[PGV]C:303 |
x,y,z |
1_555 |
2 |
1 |
1215 |
25.0 |
-0.8 |
0.306 |
0 |
0 |
0 |
0.014 |
97 |
|
B |
2 |
1 |
14542 |
◊ |
[CDL]L:101 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
1721 |
23.2 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.000 |
98 |
|
L |
3 |
1 |
4501 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14553 |
22.4 |
-0.2 |
0.509 |
0 |
0 |
0 |
0.000 |
99 |
|
I |
3 |
2 |
7205 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
5329 |
18.6 |
0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
100 |
|
I |
5 |
3 |
7205 |
◊ |
L |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
4501 |
16.2 |
0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
101 |
|
K |
1 |
1 |
5110 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
20699 |
13.8 |
-0.3 |
0.400 |
0 |
0 |
0 |
0.000 |
102 |
|
B |
5 |
2 |
14542 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
20699 |
13.4 |
0.5 |
0.829 |
0 |
0 |
0 |
0.000 |
103 |
|
[CDL]L:101 |
2 |
1 |
1721 |
◊ |
[HEA]A:601 |
x,y,z |
1_555 |
1 |
1 |
1158 |
9.9 |
-0.3 |
0.603 |
0 |
0 |
0 |
0.001 |
104 |
|
[CUA]B:302 |
1 |
1 |
174 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
20699 |
9.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
105 |
|
[PEK]G:101 |
3 |
1 |
987 |
f |
[CQX]C:305 |
x,y,z |
1_555 |
2 |
1 |
659 |
8.5 |
-0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
106 |
|
[CQX]A:608 |
3 |
1 |
629 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
4207 |
5.1 |
0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
107 |
|
[CDL]B:301 |
2 |
1 |
1375 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
12061 |
4.9 |
0.2 |
0.784 |
0 |
0 |
0 |
0.000 |
108 |
|
M |
1 |
1 |
4207 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
5110 |
4.6 |
-0.1 |
0.481 |
0 |
0 |
0 |
0.000 |
109 |
|
[ZN]F:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
20699 |
2.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
110 |
|
D |
2 |
2 |
12061 |
◊ |
J |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
2 |
5248 |
0.7 |
-0.0 |
0.711 |
0 |
0 |
0 |
0.000 |
|