| ## |
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 |
139 |
364452 |
◊ |
B |
x,y,z |
1_555 |
748 |
166 |
18468 |
7190.7 |
-132.2 |
0.725 |
163 |
0 |
0 |
0.128 |
2 |
|
0 |
756 |
139 |
364452 |
◊ |
M |
x,y,z |
1_555 |
598 |
135 |
12328 |
6180.8 |
-118.8 |
0.608 |
124 |
0 |
0 |
0.189 |
3 |
|
0 |
728 |
118 |
364452 |
◊ |
A |
x,y,z |
1_555 |
612 |
131 |
14347 |
6131.0 |
-112.5 |
0.605 |
132 |
0 |
0 |
0.237 |
4 |
|
0 |
646 |
110 |
364452 |
◊ |
C |
x,y,z |
1_555 |
517 |
128 |
14370 |
5403.9 |
-86.0 |
0.716 |
106 |
0 |
0 |
0.109 |
5 |
|
0 |
491 |
98 |
364452 |
◊ |
P |
x,y,z |
1_555 |
390 |
93 |
10779 |
4221.7 |
-77.5 |
0.670 |
106 |
0 |
0 |
0.108 |
6 |
|
0 |
497 |
98 |
364452 |
◊ |
Y |
x,y,z |
1_555 |
384 |
86 |
10479 |
4047.0 |
-74.7 |
0.687 |
92 |
0 |
0 |
0.103 |
7 |
|
0 |
517 |
108 |
364452 |
◊ |
L |
x,y,z |
1_555 |
377 |
82 |
11384 |
4028.6 |
-67.2 |
0.675 |
97 |
0 |
0 |
0.107 |
8 |
|
0 |
380 |
69 |
364452 |
◊ |
R |
x,y,z |
1_555 |
324 |
82 |
8429 |
3093.1 |
-52.8 |
0.632 |
72 |
0 |
0 |
0.088 |
9 |
|
0 |
365 |
62 |
364452 |
◊ |
3 |
x,y,z |
1_555 |
303 |
67 |
7690 |
2900.3 |
-61.1 |
0.371 |
45 |
0 |
0 |
0.088 |
10 |
|
0 |
378 |
77 |
364452 |
◊ |
1 |
x,y,z |
1_555 |
267 |
54 |
4897 |
2846.4 |
-56.0 |
0.635 |
56 |
0 |
0 |
0.092 |
11 |
|
0 |
340 |
58 |
364452 |
◊ |
T |
x,y,z |
1_555 |
269 |
66 |
8126 |
2775.0 |
-38.4 |
0.820 |
59 |
0 |
0 |
0.081 |
12 |
|
0 |
320 |
56 |
364452 |
◊ |
H |
x,y,z |
1_555 |
273 |
61 |
9456 |
2696.9 |
-47.1 |
0.576 |
53 |
0 |
0 |
0.089 |
13 |
|
0 |
292 |
60 |
364452 |
◊ |
Q |
x,y,z |
1_555 |
247 |
59 |
6646 |
2480.2 |
-50.9 |
0.577 |
57 |
0 |
0 |
0.091 |
14 |
|
0 |
279 |
50 |
364452 |
◊ |
J |
x,y,z |
1_555 |
252 |
67 |
8464 |
2405.2 |
-34.7 |
0.701 |
45 |
0 |
0 |
0.070 |
15 |
|
0 |
327 |
53 |
364452 |
◊ |
2 |
x,y,z |
1_555 |
233 |
43 |
5079 |
2403.3 |
-32.0 |
0.601 |
32 |
0 |
0 |
0.069 |
16 |
|
9 |
273 |
41 |
19716 |
◊ |
N |
x,y,z |
1_555 |
233 |
62 |
10958 |
2258.8 |
-34.5 |
0.908 |
57 |
0 |
0 |
0.863 |
17 |
|
0 |
235 |
38 |
364452 |
◊ |
W |
x,y,z |
1_555 |
207 |
53 |
8126 |
2039.9 |
-35.3 |
0.505 |
41 |
0 |
0 |
0.076 |
18 |
|
0 |
226 |
45 |
364452 |
◊ |
K |
x,y,z |
1_555 |
197 |
49 |
7216 |
1909.2 |
-30.9 |
0.711 |
50 |
0 |
0 |
0.079 |
19 |
|
0 |
213 |
31 |
364452 |
◊ |
O |
x,y,z |
1_555 |
184 |
51 |
6476 |
1840.9 |
-26.4 |
0.727 |
41 |
0 |
0 |
0.066 |
20 |
|
0 |
213 |
41 |
364452 |
◊ |
X |
x,y,z |
1_555 |
171 |
39 |
5099 |
1697.1 |
-28.7 |
0.666 |
32 |
0 |
0 |
0.064 |
21 |
|
0 |
208 |
37 |
364452 |
◊ |
E |
x,y,z |
1_555 |
160 |
43 |
10045 |
1625.7 |
-22.6 |
0.512 |
22 |
0 |
0 |
0.048 |
22 |
|
9 |
143 |
21 |
19716 |
◊ |
D |
x,y,z |
1_555 |
126 |
33 |
9831 |
1250.1 |
-19.5 |
0.777 |
18 |
0 |
0 |
0.041 |
23 |
|
0 |
166 |
32 |
364452 |
◊ |
Z |
x,y,z |
1_555 |
116 |
31 |
5492 |
1202.6 |
-15.8 |
0.693 |
21 |
0 |
0 |
0.037 |
24 |
|
0 |
128 |
19 |
364452 |
◊ |
N |
x,y,z |
1_555 |
115 |
30 |
10958 |
1123.5 |
-6.7 |
0.554 |
13 |
0 |
0 |
0.015 |
25 |
|
0 |
116 |
19 |
364452 |
◊ |
D |
x,y,z |
1_555 |
120 |
38 |
9831 |
1081.9 |
-11.6 |
0.906 |
21 |
0 |
0 |
0.031 |
26 |
|
Z |
120 |
33 |
5492 |
◊ |
A |
x,y,z |
1_555 |
105 |
33 |
14347 |
1056.8 |
-14.5 |
0.023 |
18 |
3 |
0 |
0.032 |
27 |
|
0 |
118 |
22 |
364452 |
◊ |
V |
x,y,z |
1_555 |
111 |
28 |
4622 |
1010.5 |
-12.8 |
0.790 |
21 |
0 |
0 |
0.031 |
28 |
|
9 |
119 |
23 |
19716 |
◊ |
0 |
x,y,z |
1_555 |
137 |
34 |
364452 |
1005.8 |
-23.4 |
0.960 |
12 |
0 |
0 |
0.043 |
29 |
|
0 |
123 |
27 |
364452 |
◊ |
S |
x,y,z |
1_555 |
101 |
31 |
5193 |
1004.3 |
-18.5 |
0.695 |
23 |
0 |
0 |
0.043 |
30 |
|
0 |
112 |
18 |
364452 |
◊ |
I |
x,y,z |
1_555 |
99 |
28 |
4797 |
982.4 |
-18.9 |
0.553 |
16 |
0 |
0 |
0.039 |
31 |
|
0 |
93 |
18 |
364452 |
◊ |
U |
x,y,z |
1_555 |
77 |
19 |
3963 |
715.7 |
-10.4 |
0.786 |
8 |
0 |
0 |
0.019 |
32 |
|
M |
78 |
20 |
12328 |
◊ |
F |
x,y,z |
1_555 |
74 |
19 |
6164 |
694.4 |
-8.5 |
0.051 |
9 |
4 |
0 |
0.014 |
33 |
|
0 |
71 |
10 |
364452 |
◊ |
F |
x,y,z |
1_555 |
59 |
20 |
6164 |
629.8 |
-12.8 |
0.513 |
17 |
0 |
0 |
0.028 |
34 |
|
9 |
68 |
11 |
19716 |
◊ |
W |
x,y,z |
1_555 |
50 |
16 |
8126 |
545.5 |
-7.4 |
0.703 |
8 |
0 |
0 |
0.015 |
35 |
|
Q |
54 |
14 |
6646 |
◊ |
N |
x,y,z |
1_555 |
64 |
18 |
10958 |
519.4 |
-7.9 |
0.074 |
2 |
0 |
0 |
0.000 |
36 |
|
U |
54 |
15 |
3963 |
◊ |
K |
x,y,z |
1_555 |
55 |
17 |
7216 |
518.1 |
-5.5 |
0.160 |
6 |
1 |
0 |
0.000 |
37 |
|
0 |
51 |
9 |
364452 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
2795 |
477.6 |
-6.5 |
0.740 |
9 |
0 |
0 |
0.000 |
38 |
|
V |
34 |
10 |
4622 |
◊ |
S |
x,y,z |
1_555 |
41 |
10 |
5193 |
355.4 |
-3.5 |
0.222 |
2 |
1 |
0 |
0.006 |
39 |
|
K |
37 |
13 |
7216 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
37 |
13 |
7216 |
332.2 |
0.2 |
0.483 |
2 |
2 |
0 |
0.000 |
40 |
|
[1MA]0:628 |
23 |
1 |
508 |
cf |
0 |
x,y,z |
1_555 |
51 |
10 |
364452 |
330.4 |
-1.7 |
0.759 |
5 |
0 |
0 |
0.006 |
41 |
|
[OMG]0:2588 |
24 |
1 |
501 |
cf |
0 |
x,y,z |
1_555 |
46 |
7 |
364452 |
289.4 |
-2.2 |
0.804 |
1 |
0 |
0 |
0.004 |
42 |
|
J |
29 |
6 |
8464 |
◊ |
E |
x,y,z |
1_555 |
31 |
8 |
10045 |
275.0 |
-3.1 |
0.147 |
3 |
0 |
0 |
0.006 |
43 |
|
[OMU]0:2587 |
21 |
1 |
456 |
cf |
0 |
x,y,z |
1_555 |
46 |
11 |
364452 |
273.4 |
-1.0 |
0.822 |
1 |
0 |
0 |
0.002 |
44 |
|
[UR3]0:2619 |
20 |
1 |
451 |
cf |
0 |
x,y,z |
1_555 |
39 |
5 |
364452 |
267.8 |
-1.0 |
0.850 |
0 |
0 |
0 |
0.002 |
45 |
|
K |
25 |
8 |
7216 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
18468 |
261.8 |
-1.5 |
0.317 |
1 |
0 |
0 |
0.000 |
46 |
|
9 |
35 |
8 |
19716 |
◊ |
Q |
x,y,z |
1_555 |
26 |
6 |
6646 |
261.2 |
-2.6 |
0.767 |
4 |
0 |
0 |
0.000 |
47 |
|
2 |
29 |
7 |
5079 |
◊ |
S |
x,y,z |
1_555 |
33 |
9 |
5193 |
260.9 |
-3.3 |
0.200 |
2 |
1 |
0 |
0.006 |
48 |
|
[PSU]0:2621 |
18 |
1 |
427 |
cf |
0 |
x,y,z |
1_555 |
42 |
7 |
364452 |
249.3 |
-1.4 |
0.714 |
3 |
0 |
0 |
0.004 |
49 |
|
J |
26 |
8 |
8464 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
18468 |
241.7 |
1.6 |
0.618 |
5 |
1 |
0 |
0.000 |
50 |
|
N |
32 |
10 |
10958 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
9831 |
210.7 |
1.0 |
0.696 |
1 |
0 |
0 |
0.000 |
51 |
|
2 |
21 |
5 |
5079 |
◊ |
1 |
x,y,z |
1_555 |
20 |
7 |
4897 |
179.2 |
-2.0 |
0.283 |
0 |
0 |
0 |
0.002 |
52 |
|
U |
17 |
5 |
3963 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
18468 |
174.6 |
-1.2 |
0.377 |
4 |
1 |
0 |
0.000 |
53 |
|
3 |
15 |
6 |
7690 |
◊ |
M |
x,y,z |
1_555 |
21 |
6 |
12328 |
172.9 |
-2.0 |
0.196 |
1 |
0 |
0 |
0.002 |
54 |
|
0 |
24 |
6 |
364452 |
◊ |
V |
x,-y+1,-z |
4_565 |
17 |
7 |
4622 |
171.4 |
-3.2 |
0.455 |
1 |
0 |
0 |
0.000 |
55 |
|
O |
17 |
4 |
6476 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
14370 |
171.4 |
-1.4 |
0.254 |
0 |
0 |
0 |
0.000 |
56 |
|
9 |
29 |
3 |
19716 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
2 |
364452 |
170.3 |
0.8 |
0.949 |
0 |
0 |
0 |
0.000 |
57 |
|
1 |
15 |
4 |
4897 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
14370 |
160.2 |
-1.0 |
0.388 |
3 |
4 |
0 |
0.002 |
58 |
|
0 |
15 |
2 |
364452 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
4 |
364452 |
150.2 |
-5.2 |
0.541 |
2 |
0 |
0 |
0.000 |
59 |
|
[K]M:8402 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
25 |
11 |
364452 |
129.2 |
-81.2 |
0.000 |
0 |
0 |
0 |
0.121 |
60 |
|
O |
16 |
6 |
6476 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11384 |
119.4 |
-0.6 |
0.346 |
0 |
0 |
0 |
0.000 |
61 |
|
9 |
16 |
4 |
19716 |
◊ |
H |
x,y,z |
1_555 |
16 |
4 |
9456 |
118.8 |
0.2 |
0.737 |
3 |
0 |
0 |
0.001 |
62 |
|
0 |
20 |
3 |
364452 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
21 |
4 |
364452 |
113.7 |
0.5 |
0.935 |
2 |
0 |
0 |
0.000 |
63 |
|
[K]0:8401 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
14 |
7 |
364452 |
112.0 |
-102.6 |
0.000 |
0 |
0 |
0 |
0.152 |
64 |
|
N |
16 |
7 |
10958 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
16 |
2 |
364452 |
109.8 |
-2.4 |
0.464 |
0 |
0 |
0 |
0.000 |
65 |
|
0 |
16 |
7 |
364452 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
16 |
5 |
10045 |
98.2 |
-1.0 |
0.713 |
0 |
0 |
0 |
0.000 |
66 |
|
[CL]0:8805 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
19 |
7 |
364452 |
89.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.017 |
67 |
|
[OMG]0:2588 |
14 |
1 |
501 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
13 |
1 |
456 |
89.0 |
-0.5 |
0.525 |
0 |
0 |
0 |
0.000 |
68 |
|
T |
17 |
5 |
8126 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14370 |
82.3 |
-1.1 |
0.286 |
0 |
0 |
0 |
0.000 |
69 |
|
[CL]R:8806 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
10 |
4 |
8429 |
73.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.100 |
70 |
|
[CL]M:8818 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
13 |
7 |
12328 |
68.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
71 |
|
[1MA]0:628 |
8 |
1 |
508 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10479 |
68.6 |
-2.0 |
0.224 |
0 |
0 |
0 |
0.002 |
72 |
|
[CL]0:8813 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
5 |
364452 |
66.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.014 |
73 |
|
[CD]O:8705 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
19 |
7 |
6476 |
66.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.047 |
74 |
|
[CL]0:8815 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
6 |
364452 |
66.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.014 |
75 |
|
[CL]3:8804 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
12 |
5 |
7690 |
66.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.054 |
76 |
|
[CL]J:8801 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
8464 |
65.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.035 |
77 |
|
[CL]O:8808 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
10 |
5 |
6476 |
62.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.053 |
78 |
|
[CL]J:8802 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8464 |
62.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.036 |
79 |
|
[CL]0:8822 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
364452 |
62.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.014 |
80 |
|
[CL]N:8807 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
11 |
4 |
10958 |
62.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.125 |
81 |
|
[CL]0:8814 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
14 |
4 |
11384 |
62.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.044 |
82 |
|
[CL]L:8810 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
11384 |
61.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.056 |
83 |
|
W |
7 |
1 |
8126 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
11 |
1 |
364452 |
60.1 |
-0.8 |
0.275 |
0 |
0 |
0 |
0.000 |
84 |
|
[CL]B:8819 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18468 |
59.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
85 |
|
[CL]0:8803 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
364452 |
59.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.012 |
86 |
|
[CL]0:8811 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
11 |
5 |
6646 |
58.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.100 |
87 |
|
[CD]Z:8703 |
1 |
1 |
112 |
f |
Z |
x,y,z |
1_555 |
6 |
6 |
5492 |
57.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.100 |
88 |
|
[CD]U:8701 |
1 |
1 |
112 |
f |
U |
x,y,z |
1_555 |
6 |
6 |
3963 |
57.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.100 |
89 |
|
[CL]0:8817 |
1 |
1 |
125 |
f |
Y |
x,y,z |
1_555 |
9 |
4 |
10479 |
57.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.055 |
90 |
|
[CD]3:8704 |
1 |
1 |
112 |
f |
3 |
x,y,z |
1_555 |
5 |
4 |
7690 |
56.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.046 |
91 |
|
[CL]A:8809 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14347 |
56.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.100 |
92 |
|
[CL]Y:8820 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
13 |
3 |
364452 |
56.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.004 |
93 |
|
[CL]J:8821 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
6 |
8464 |
55.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.029 |
94 |
|
Y |
7 |
1 |
10479 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
11384 |
55.7 |
0.8 |
0.642 |
0 |
0 |
0 |
0.000 |
95 |
|
[K]M:8402 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
6 |
1 |
12328 |
54.5 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.033 |
96 |
|
9 |
8 |
3 |
19716 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
18468 |
53.1 |
1.1 |
0.849 |
1 |
0 |
0 |
0.000 |
97 |
|
[CL]0:8816 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
8464 |
52.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.007 |
98 |
|
[CL]0:8816 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
9 |
3 |
364452 |
52.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.010 |
99 |
|
[CL]0:8812 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
10 |
5 |
7216 |
50.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.100 |
100 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
Y |
x,y,z |
1_555 |
6 |
3 |
10479 |
48.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.045 |
101 |
|
[CL]0:8812 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
4 |
364452 |
48.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.008 |
102 |
|
[CL]0:8817 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
3 |
364452 |
47.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.006 |
103 |
|
[CL]0:8814 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
364452 |
42.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.005 |
104 |
|
[CL]O:8808 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
2 |
364452 |
39.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.006 |
105 |
|
[CL]B:8819 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
364452 |
39.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.003 |
106 |
|
0 |
5 |
2 |
364452 |
◊ |
F |
x,-y+1,-z |
4_565 |
4 |
1 |
6164 |
35.2 |
-1.7 |
0.360 |
0 |
0 |
0 |
0.000 |
107 |
|
[CL]0:8811 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
2 |
364452 |
34.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.005 |
108 |
|
[CL]L:8810 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
364452 |
33.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.003 |
109 |
|
[CL]J:8821 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
364452 |
31.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.005 |
110 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9831 |
30.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.003 |
111 |
|
3 |
2 |
1 |
7690 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11384 |
26.8 |
0.7 |
0.427 |
0 |
0 |
0 |
0.000 |
112 |
|
D |
3 |
1 |
9831 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
18468 |
26.6 |
-0.5 |
0.341 |
0 |
0 |
0 |
0.000 |
113 |
|
[CL]0:8803 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5079 |
26.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.005 |
114 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10045 |
26.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
115 |
|
G |
4 |
2 |
2795 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
364452 |
19.1 |
0.5 |
0.734 |
0 |
0 |
0 |
0.000 |
116 |
|
[CL]A:8809 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
3 |
364452 |
16.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.003 |
117 |
|
[CL]0:8822 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
1 |
1 |
8126 |
14.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
118 |
|
[CL]R:8806 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
364452 |
12.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.001 |
119 |
|
[CL]0:8813 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10479 |
9.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
120 |
|
[CL]Y:8820 |
1 |
1 |
125 |
◊ |
[CL]0:8813 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
121 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19716 |
5.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
122 |
|
N |
1 |
1 |
10958 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
10779 |
5.4 |
-0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
123 |
|
[CD]Z:8703 |
1 |
1 |
112 |
◊ |
0 |
x,y,z |
1_555 |
2 |
1 |
364452 |
3.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
124 |
|
[CL]J:8802 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
364452 |
2.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
125 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
364452 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|