| ## |
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 |
|
0 |
822 |
137 |
366163 |
◊ |
B |
x,y,z |
1_555 |
740 |
164 |
18473 |
7180.7 |
-130.6 |
0.782 |
159 |
0 |
0 |
0.126 |
2 |
|
0 |
755 |
137 |
366163 |
◊ |
M |
x,y,z |
1_555 |
605 |
135 |
12388 |
6267.1 |
-116.2 |
0.668 |
138 |
0 |
0 |
0.188 |
3 |
|
0 |
727 |
119 |
366163 |
◊ |
A |
x,y,z |
1_555 |
616 |
131 |
14285 |
6149.6 |
-114.0 |
0.570 |
131 |
0 |
0 |
0.227 |
4 |
|
0 |
651 |
110 |
366163 |
◊ |
C |
x,y,z |
1_555 |
518 |
127 |
14417 |
5413.7 |
-89.1 |
0.642 |
108 |
0 |
0 |
0.105 |
5 |
|
0 |
492 |
97 |
366163 |
◊ |
P |
x,y,z |
1_555 |
393 |
94 |
10810 |
4239.1 |
-79.8 |
0.643 |
103 |
0 |
0 |
0.108 |
6 |
|
0 |
511 |
107 |
366163 |
◊ |
L |
x,y,z |
1_555 |
372 |
81 |
11426 |
4052.8 |
-67.9 |
0.599 |
95 |
0 |
0 |
0.103 |
7 |
|
0 |
489 |
97 |
366163 |
◊ |
Y |
x,y,z |
1_555 |
383 |
85 |
10529 |
4035.3 |
-71.7 |
0.757 |
93 |
0 |
0 |
0.100 |
8 |
|
0 |
376 |
68 |
366163 |
◊ |
R |
x,y,z |
1_555 |
328 |
81 |
8480 |
3079.4 |
-54.4 |
0.496 |
65 |
0 |
0 |
0.088 |
9 |
|
0 |
370 |
58 |
366163 |
◊ |
3 |
x,y,z |
1_555 |
319 |
68 |
7805 |
3048.0 |
-62.3 |
0.243 |
55 |
0 |
0 |
0.088 |
10 |
|
0 |
370 |
74 |
366163 |
◊ |
1 |
x,y,z |
1_555 |
261 |
54 |
4856 |
2814.7 |
-57.0 |
0.540 |
53 |
0 |
0 |
0.094 |
11 |
|
0 |
345 |
60 |
366163 |
◊ |
T |
x,y,z |
1_555 |
271 |
67 |
8138 |
2782.1 |
-42.0 |
0.763 |
61 |
0 |
0 |
0.089 |
12 |
|
0 |
316 |
56 |
366163 |
◊ |
H |
x,y,z |
1_555 |
276 |
61 |
9432 |
2663.1 |
-47.7 |
0.517 |
49 |
0 |
0 |
0.085 |
13 |
|
0 |
290 |
59 |
366163 |
◊ |
Q |
x,y,z |
1_555 |
245 |
58 |
6689 |
2466.4 |
-54.3 |
0.467 |
61 |
0 |
0 |
0.089 |
14 |
|
0 |
335 |
53 |
366163 |
◊ |
2 |
x,y,z |
1_555 |
228 |
44 |
5121 |
2398.5 |
-31.6 |
0.571 |
31 |
0 |
0 |
0.070 |
15 |
|
0 |
274 |
49 |
366163 |
◊ |
J |
x,y,z |
1_555 |
254 |
68 |
8497 |
2388.0 |
-34.4 |
0.675 |
48 |
0 |
0 |
0.072 |
16 |
|
9 |
268 |
41 |
19867 |
◊ |
N |
x,y,z |
1_555 |
240 |
63 |
10962 |
2260.1 |
-34.2 |
0.906 |
58 |
0 |
0 |
0.860 |
17 |
|
0 |
240 |
40 |
366163 |
◊ |
W |
x,y,z |
1_555 |
208 |
53 |
8188 |
2041.2 |
-36.4 |
0.439 |
35 |
0 |
0 |
0.076 |
18 |
|
0 |
230 |
45 |
366163 |
◊ |
K |
x,y,z |
1_555 |
197 |
49 |
7265 |
1909.5 |
-31.0 |
0.712 |
52 |
0 |
0 |
0.075 |
19 |
|
0 |
209 |
31 |
366163 |
◊ |
O |
x,y,z |
1_555 |
184 |
50 |
6501 |
1850.4 |
-25.4 |
0.757 |
40 |
0 |
0 |
0.067 |
20 |
|
0 |
209 |
39 |
366163 |
◊ |
X |
x,y,z |
1_555 |
163 |
40 |
5098 |
1672.6 |
-26.8 |
0.689 |
30 |
0 |
0 |
0.062 |
21 |
|
0 |
207 |
37 |
366163 |
◊ |
E |
x,y,z |
1_555 |
166 |
45 |
10149 |
1651.2 |
-22.6 |
0.512 |
22 |
0 |
0 |
0.050 |
22 |
|
9 |
137 |
19 |
19867 |
◊ |
D |
x,y,z |
1_555 |
122 |
33 |
9764 |
1241.8 |
-21.2 |
0.670 |
17 |
0 |
0 |
0.283 |
23 |
|
0 |
170 |
34 |
366163 |
◊ |
Z |
x,y,z |
1_555 |
116 |
34 |
5490 |
1221.8 |
-14.7 |
0.602 |
22 |
0 |
0 |
0.038 |
24 |
|
0 |
126 |
19 |
366163 |
◊ |
N |
x,y,z |
1_555 |
118 |
30 |
10962 |
1117.1 |
-8.6 |
0.357 |
12 |
0 |
0 |
0.016 |
25 |
|
0 |
117 |
18 |
366163 |
◊ |
D |
x,y,z |
1_555 |
118 |
39 |
9764 |
1090.4 |
-11.1 |
0.913 |
22 |
0 |
0 |
0.032 |
26 |
|
Z |
114 |
33 |
5490 |
◊ |
A |
x,y,z |
1_555 |
110 |
35 |
14285 |
1054.0 |
-15.6 |
0.014 |
18 |
2 |
0 |
0.740 |
27 |
|
9 |
115 |
22 |
19867 |
◊ |
0 |
x,y,z |
1_555 |
137 |
33 |
366163 |
1007.7 |
-22.8 |
0.964 |
11 |
0 |
0 |
0.043 |
28 |
|
0 |
113 |
21 |
366163 |
◊ |
V |
x,y,z |
1_555 |
108 |
28 |
4663 |
1003.3 |
-14.5 |
0.713 |
23 |
0 |
0 |
0.038 |
29 |
|
0 |
122 |
27 |
366163 |
◊ |
S |
x,y,z |
1_555 |
104 |
33 |
5226 |
993.4 |
-18.0 |
0.687 |
22 |
0 |
0 |
0.043 |
30 |
|
0 |
113 |
18 |
366163 |
◊ |
I |
x,y,z |
1_555 |
109 |
32 |
4671 |
985.1 |
-19.5 |
0.605 |
16 |
0 |
0 |
0.041 |
31 |
|
M |
78 |
20 |
12388 |
◊ |
F |
x,y,z |
1_555 |
76 |
19 |
6207 |
701.9 |
-9.7 |
0.029 |
8 |
4 |
0 |
0.015 |
32 |
|
0 |
94 |
17 |
366163 |
◊ |
U |
x,y,z |
1_555 |
73 |
18 |
3955 |
685.9 |
-9.0 |
0.823 |
9 |
0 |
0 |
0.014 |
33 |
|
0 |
68 |
10 |
366163 |
◊ |
F |
x,y,z |
1_555 |
56 |
20 |
6207 |
620.7 |
-13.2 |
0.473 |
16 |
0 |
0 |
0.027 |
34 |
|
9 |
68 |
11 |
19867 |
◊ |
W |
x,y,z |
1_555 |
51 |
17 |
8188 |
542.8 |
-7.8 |
0.713 |
9 |
0 |
0 |
0.017 |
35 |
|
U |
51 |
15 |
3955 |
◊ |
K |
x,y,z |
1_555 |
52 |
17 |
7265 |
521.0 |
-7.8 |
0.055 |
7 |
1 |
0 |
0.012 |
36 |
|
Q |
52 |
12 |
6689 |
◊ |
N |
x,y,z |
1_555 |
61 |
16 |
10962 |
513.6 |
-8.4 |
0.052 |
2 |
0 |
0 |
0.010 |
37 |
|
0 |
50 |
9 |
366163 |
◊ |
G |
x,y,z |
1_555 |
53 |
13 |
2773 |
465.0 |
-6.2 |
0.736 |
9 |
0 |
0 |
0.011 |
38 |
|
V |
34 |
10 |
4663 |
◊ |
S |
x,y,z |
1_555 |
37 |
10 |
5226 |
347.4 |
-4.0 |
0.188 |
2 |
1 |
0 |
0.008 |
39 |
|
K |
35 |
11 |
7265 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
35 |
11 |
7265 |
338.9 |
0.4 |
0.512 |
2 |
2 |
0 |
0.000 |
40 |
|
[1MA]0:628 |
23 |
1 |
502 |
cf |
0 |
x,y,z |
1_555 |
47 |
10 |
366163 |
324.5 |
-1.8 |
0.760 |
5 |
0 |
0 |
0.006 |
41 |
|
[OMG]0:2588 |
24 |
1 |
503 |
cf |
0 |
x,y,z |
1_555 |
48 |
7 |
366163 |
291.8 |
-2.2 |
0.799 |
2 |
0 |
0 |
0.005 |
42 |
|
K |
25 |
9 |
7265 |
◊ |
B |
x,y,z |
1_555 |
34 |
11 |
18473 |
280.9 |
-1.4 |
0.332 |
2 |
0 |
0 |
0.000 |
43 |
|
[OMU]0:2587 |
21 |
1 |
454 |
cf |
0 |
x,y,z |
1_555 |
47 |
11 |
366163 |
275.0 |
-1.1 |
0.827 |
1 |
0 |
0 |
0.002 |
44 |
|
J |
29 |
6 |
8497 |
◊ |
E |
x,y,z |
1_555 |
31 |
8 |
10149 |
272.4 |
-2.9 |
0.154 |
3 |
0 |
0 |
0.005 |
45 |
|
[UR3]0:2619 |
21 |
1 |
452 |
cf |
0 |
x,y,z |
1_555 |
39 |
5 |
366163 |
270.0 |
-0.8 |
0.864 |
0 |
0 |
0 |
0.001 |
46 |
|
2 |
31 |
7 |
5121 |
◊ |
S |
x,y,z |
1_555 |
32 |
9 |
5226 |
264.8 |
-3.3 |
0.178 |
3 |
2 |
0 |
0.008 |
47 |
|
9 |
34 |
8 |
19867 |
◊ |
Q |
x,y,z |
1_555 |
22 |
5 |
6689 |
255.7 |
-2.7 |
0.768 |
6 |
0 |
0 |
0.006 |
48 |
|
[PSU]0:2621 |
18 |
1 |
425 |
cf |
0 |
x,y,z |
1_555 |
41 |
8 |
366163 |
249.0 |
-1.8 |
0.711 |
3 |
0 |
0 |
0.005 |
49 |
|
J |
28 |
10 |
8497 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
18473 |
237.6 |
1.6 |
0.624 |
5 |
1 |
0 |
0.000 |
50 |
|
N |
31 |
8 |
10962 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
9764 |
216.8 |
0.8 |
0.654 |
2 |
0 |
0 |
0.000 |
51 |
|
U |
15 |
4 |
3955 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
18473 |
177.1 |
-1.7 |
0.284 |
3 |
0 |
0 |
0.000 |
52 |
|
2 |
20 |
5 |
5121 |
◊ |
1 |
x,y,z |
1_555 |
19 |
6 |
4856 |
173.3 |
-2.2 |
0.258 |
0 |
0 |
0 |
0.003 |
53 |
|
O |
17 |
4 |
6501 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
14417 |
171.9 |
-1.2 |
0.291 |
0 |
0 |
0 |
0.000 |
54 |
|
0 |
25 |
6 |
366163 |
◊ |
V |
x,-y+1,-z |
4_565 |
15 |
6 |
4663 |
169.0 |
-3.1 |
0.482 |
2 |
0 |
0 |
0.000 |
55 |
|
9 |
28 |
3 |
19867 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
22 |
2 |
366163 |
166.7 |
0.2 |
0.940 |
1 |
0 |
0 |
0.000 |
56 |
|
1 |
16 |
4 |
4856 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
14417 |
160.1 |
-1.0 |
0.397 |
3 |
3 |
0 |
0.002 |
57 |
|
3 |
11 |
4 |
7805 |
◊ |
M |
x,y,z |
1_555 |
20 |
6 |
12388 |
157.8 |
-2.9 |
0.096 |
1 |
0 |
0 |
0.002 |
58 |
|
0 |
15 |
2 |
366163 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
20 |
4 |
366163 |
152.9 |
-5.5 |
0.509 |
2 |
0 |
0 |
0.000 |
59 |
|
[K]0:8402 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
24 |
11 |
366163 |
131.4 |
-87.0 |
0.000 |
0 |
0 |
0 |
0.135 |
60 |
|
O |
16 |
6 |
6501 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11426 |
122.0 |
-0.4 |
0.368 |
0 |
0 |
0 |
0.000 |
61 |
|
[K]0:8401 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
14 |
8 |
366163 |
121.5 |
-104.9 |
0.000 |
0 |
0 |
0 |
0.162 |
62 |
|
9 |
15 |
4 |
19867 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
9432 |
117.4 |
0.4 |
0.746 |
3 |
0 |
0 |
0.000 |
63 |
|
0 |
15 |
2 |
366163 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
16 |
2 |
366163 |
109.7 |
0.6 |
0.910 |
2 |
0 |
0 |
0.000 |
64 |
|
N |
12 |
6 |
10962 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
15 |
2 |
366163 |
103.5 |
-2.3 |
0.433 |
0 |
0 |
0 |
0.000 |
65 |
|
[OMG]0:2588 |
13 |
1 |
503 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
14 |
1 |
454 |
91.7 |
-0.5 |
0.532 |
0 |
0 |
0 |
0.000 |
66 |
|
T |
16 |
5 |
8138 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
14417 |
90.9 |
-1.2 |
0.284 |
0 |
0 |
0 |
0.000 |
67 |
|
[CL]0:8805 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
20 |
7 |
366163 |
90.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.017 |
68 |
|
0 |
14 |
7 |
366163 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
13 |
5 |
10149 |
79.3 |
-0.6 |
0.718 |
0 |
0 |
0 |
0.000 |
69 |
|
[CL]R:8806 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
9 |
4 |
8480 |
73.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.100 |
70 |
|
[CD]O:8705 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
19 |
7 |
6501 |
69.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.048 |
71 |
|
[CL]M:8818 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
12388 |
68.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
72 |
|
[CL]3:8804 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7805 |
68.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.100 |
73 |
|
[1MA]0:628 |
8 |
1 |
502 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10529 |
67.6 |
-2.1 |
0.219 |
0 |
0 |
0 |
0.002 |
74 |
|
[CL]0:8815 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
6 |
366163 |
67.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.015 |
75 |
|
[CL]0:8813 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
366163 |
66.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.014 |
76 |
|
[CL]J:8801 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
8497 |
64.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.034 |
77 |
|
[CL]J:8802 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
8497 |
63.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.036 |
78 |
|
[CL]O:8808 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
10 |
4 |
6501 |
62.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.052 |
79 |
|
[CL]N:8807 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
12 |
4 |
10962 |
62.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.127 |
80 |
|
[CL]0:8822 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
366163 |
62.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.014 |
81 |
|
[CL]0:8814 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
14 |
4 |
11426 |
61.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.046 |
82 |
|
[CL]A:8809 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14285 |
61.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.260 |
83 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
4 |
366163 |
59.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.009 |
84 |
|
[CL]L:8810 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
12 |
4 |
11426 |
58.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.054 |
85 |
|
[CL]0:8803 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
5 |
366163 |
58.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.012 |
86 |
|
[CL]B:8819 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
18473 |
58.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
87 |
|
[CL]J:8821 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
6 |
8497 |
58.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.030 |
88 |
|
[CL]0:8811 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
10 |
5 |
6689 |
58.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.100 |
89 |
|
Y |
7 |
1 |
10529 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
11426 |
57.7 |
0.9 |
0.659 |
0 |
0 |
0 |
0.000 |
90 |
|
[CL]0:8817 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
8 |
3 |
10529 |
56.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.006 |
91 |
|
W |
6 |
1 |
8188 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
12 |
1 |
366163 |
56.2 |
-0.8 |
0.275 |
0 |
0 |
0 |
0.000 |
92 |
|
[CL]0:8816 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
8497 |
55.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.007 |
93 |
|
[CL]0:8816 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
366163 |
51.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.010 |
94 |
|
[CL]0:8812 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
7265 |
50.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.100 |
95 |
|
[CL]0:8817 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
366163 |
49.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.010 |
96 |
|
9 |
7 |
2 |
19867 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
18473 |
49.7 |
-0.2 |
0.692 |
2 |
0 |
0 |
0.000 |
97 |
|
[CL]0:8812 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
4 |
366163 |
47.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.008 |
98 |
|
[CL]Y:8820 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10529 |
46.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.004 |
99 |
|
[K]0:8402 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
7 |
1 |
12388 |
46.2 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.026 |
100 |
|
[CL]0:8814 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
366163 |
42.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.005 |
101 |
|
[CL]B:8819 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
7 |
4 |
366163 |
39.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.003 |
102 |
|
[CL]O:8808 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
2 |
366163 |
38.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.006 |
103 |
|
[CL]0:8811 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366163 |
35.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.005 |
104 |
|
[CL]L:8810 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366163 |
34.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.003 |
105 |
|
D |
3 |
1 |
9764 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
18473 |
34.8 |
-0.6 |
0.322 |
0 |
0 |
0 |
0.000 |
106 |
|
[CL]J:8821 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366163 |
31.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.005 |
107 |
|
0 |
4 |
2 |
366163 |
◊ |
F |
x,-y+1,-z |
4_565 |
3 |
1 |
6207 |
30.1 |
-1.6 |
0.351 |
0 |
0 |
0 |
0.000 |
108 |
|
3 |
4 |
1 |
7805 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11426 |
29.3 |
0.7 |
0.514 |
0 |
0 |
0 |
0.000 |
109 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
9764 |
28.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.030 |
110 |
|
[CL]0:8803 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5121 |
27.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.005 |
111 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10149 |
23.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.004 |
112 |
|
[CL]A:8809 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
366163 |
20.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
113 |
|
[CL]0:8822 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
1 |
1 |
8188 |
13.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.002 |
114 |
|
M |
1 |
1 |
12388 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14285 |
12.5 |
0.9 |
0.914 |
0 |
0 |
0 |
0.000 |
115 |
|
[CL]R:8806 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
366163 |
12.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
116 |
|
[CL]0:8813 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10529 |
11.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
117 |
|
G |
2 |
1 |
2773 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
366163 |
10.8 |
0.2 |
0.682 |
0 |
0 |
0 |
0.000 |
118 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
[CL]0:8813 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
119 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19867 |
6.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
120 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366163 |
5.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
121 |
|
N |
1 |
1 |
10962 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
10810 |
3.9 |
-0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
122 |
|
[CL]J:8802 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366163 |
3.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
123 |
|
[CD]Z:8703 |
1 |
1 |
112 |
f |
0 |
x,y,z |
1_555 |
1 |
1 |
366163 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
124 |
|
I |
1 |
1 |
4671 |
◊ |
X |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
5098 |
0.1 |
-0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
|