| ## |
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 |
824 |
139 |
366421 |
◊ |
B |
x,y,z |
1_555 |
748 |
164 |
18389 |
7203.9 |
-133.0 |
0.722 |
166 |
0 |
0 |
0.128 |
2 |
|
0 |
754 |
143 |
366421 |
◊ |
M |
x,y,z |
1_555 |
606 |
135 |
12414 |
6271.0 |
-119.0 |
0.636 |
141 |
0 |
0 |
0.195 |
3 |
|
0 |
736 |
118 |
366421 |
◊ |
A |
x,y,z |
1_555 |
613 |
131 |
14233 |
6140.6 |
-115.5 |
0.624 |
131 |
0 |
0 |
0.237 |
4 |
|
0 |
642 |
111 |
366421 |
◊ |
C |
x,y,z |
1_555 |
522 |
128 |
14337 |
5399.8 |
-86.5 |
0.756 |
113 |
0 |
0 |
0.105 |
5 |
|
0 |
483 |
96 |
366421 |
◊ |
P |
x,y,z |
1_555 |
391 |
93 |
10672 |
4185.1 |
-80.9 |
0.597 |
102 |
0 |
0 |
0.109 |
6 |
|
0 |
515 |
108 |
366421 |
◊ |
L |
x,y,z |
1_555 |
376 |
81 |
11377 |
4058.1 |
-67.2 |
0.617 |
95 |
0 |
0 |
0.104 |
7 |
|
0 |
490 |
93 |
366421 |
◊ |
Y |
x,y,z |
1_555 |
378 |
86 |
10433 |
4017.3 |
-71.9 |
0.747 |
85 |
0 |
0 |
0.101 |
8 |
|
0 |
382 |
67 |
366421 |
◊ |
R |
x,y,z |
1_555 |
324 |
81 |
8469 |
3103.7 |
-54.6 |
0.588 |
65 |
0 |
0 |
0.088 |
9 |
|
0 |
365 |
60 |
366421 |
◊ |
3 |
x,y,z |
1_555 |
314 |
69 |
7730 |
3031.9 |
-63.6 |
0.268 |
52 |
0 |
0 |
0.088 |
10 |
|
0 |
377 |
77 |
366421 |
◊ |
1 |
x,y,z |
1_555 |
269 |
54 |
4889 |
2875.3 |
-55.3 |
0.669 |
58 |
0 |
0 |
0.089 |
11 |
|
0 |
340 |
59 |
366421 |
◊ |
T |
x,y,z |
1_555 |
271 |
67 |
8114 |
2814.4 |
-38.6 |
0.852 |
61 |
0 |
0 |
0.081 |
12 |
|
0 |
317 |
56 |
366421 |
◊ |
H |
x,y,z |
1_555 |
277 |
61 |
9316 |
2630.4 |
-48.4 |
0.497 |
46 |
0 |
0 |
0.085 |
13 |
|
0 |
293 |
57 |
366421 |
◊ |
Q |
x,y,z |
1_555 |
253 |
60 |
6654 |
2481.5 |
-52.3 |
0.532 |
62 |
0 |
0 |
0.092 |
14 |
|
0 |
268 |
48 |
366421 |
◊ |
J |
x,y,z |
1_555 |
256 |
68 |
8464 |
2408.6 |
-36.0 |
0.646 |
42 |
0 |
0 |
0.072 |
15 |
|
0 |
323 |
52 |
366421 |
◊ |
2 |
x,y,z |
1_555 |
228 |
44 |
5062 |
2369.5 |
-30.5 |
0.569 |
28 |
0 |
0 |
0.067 |
16 |
|
9 |
272 |
43 |
19950 |
◊ |
N |
x,y,z |
1_555 |
242 |
65 |
10873 |
2289.4 |
-36.0 |
0.889 |
56 |
0 |
0 |
0.868 |
17 |
|
0 |
236 |
39 |
366421 |
◊ |
W |
x,y,z |
1_555 |
212 |
55 |
8188 |
2046.6 |
-38.5 |
0.352 |
39 |
0 |
0 |
0.070 |
18 |
|
0 |
228 |
45 |
366421 |
◊ |
K |
x,y,z |
1_555 |
192 |
49 |
7229 |
1898.2 |
-31.9 |
0.720 |
47 |
0 |
0 |
0.077 |
19 |
|
0 |
216 |
31 |
366421 |
◊ |
O |
x,y,z |
1_555 |
183 |
51 |
6484 |
1838.1 |
-26.2 |
0.748 |
43 |
0 |
0 |
0.070 |
20 |
|
0 |
205 |
41 |
366421 |
◊ |
X |
x,y,z |
1_555 |
157 |
37 |
5106 |
1680.0 |
-26.7 |
0.698 |
34 |
0 |
0 |
0.065 |
21 |
|
0 |
204 |
36 |
366421 |
◊ |
E |
x,y,z |
1_555 |
163 |
44 |
10198 |
1652.1 |
-24.3 |
0.351 |
22 |
0 |
0 |
0.053 |
22 |
|
9 |
142 |
20 |
19950 |
◊ |
D |
x,y,z |
1_555 |
121 |
32 |
9517 |
1261.2 |
-20.1 |
0.653 |
14 |
0 |
0 |
0.041 |
23 |
|
0 |
172 |
33 |
366421 |
◊ |
Z |
x,y,z |
1_555 |
119 |
34 |
5626 |
1251.3 |
-13.9 |
0.710 |
23 |
0 |
0 |
0.037 |
24 |
|
0 |
126 |
19 |
366421 |
◊ |
N |
x,y,z |
1_555 |
120 |
31 |
10873 |
1115.3 |
-8.0 |
0.409 |
11 |
0 |
0 |
0.015 |
25 |
|
0 |
115 |
19 |
366421 |
◊ |
D |
x,y,z |
1_555 |
124 |
40 |
9517 |
1085.2 |
-11.4 |
0.890 |
19 |
0 |
0 |
0.031 |
26 |
|
Z |
111 |
31 |
5626 |
◊ |
A |
x,y,z |
1_555 |
111 |
34 |
14233 |
1037.6 |
-14.7 |
0.016 |
17 |
2 |
0 |
0.031 |
27 |
|
9 |
115 |
21 |
19950 |
◊ |
0 |
x,y,z |
1_555 |
141 |
35 |
366421 |
1030.1 |
-24.2 |
0.954 |
11 |
0 |
0 |
0.045 |
28 |
|
0 |
126 |
26 |
366421 |
◊ |
S |
x,y,z |
1_555 |
96 |
31 |
5183 |
990.4 |
-17.2 |
0.748 |
22 |
0 |
0 |
0.042 |
29 |
|
0 |
114 |
21 |
366421 |
◊ |
V |
x,y,z |
1_555 |
113 |
28 |
4547 |
983.9 |
-13.4 |
0.769 |
25 |
0 |
0 |
0.038 |
30 |
|
0 |
108 |
18 |
366421 |
◊ |
I |
x,y,z |
1_555 |
97 |
28 |
4414 |
913.5 |
-18.4 |
0.544 |
16 |
0 |
0 |
0.040 |
31 |
|
M |
75 |
20 |
12414 |
◊ |
F |
x,y,z |
1_555 |
70 |
18 |
6152 |
704.4 |
-9.0 |
0.038 |
9 |
4 |
0 |
0.015 |
32 |
|
0 |
87 |
15 |
366421 |
◊ |
U |
x,y,z |
1_555 |
69 |
19 |
3958 |
697.3 |
-9.9 |
0.788 |
10 |
0 |
0 |
0.020 |
33 |
|
0 |
67 |
10 |
366421 |
◊ |
F |
x,y,z |
1_555 |
57 |
20 |
6152 |
621.8 |
-13.2 |
0.478 |
17 |
0 |
0 |
0.028 |
34 |
|
9 |
68 |
11 |
19950 |
◊ |
W |
x,y,z |
1_555 |
51 |
16 |
8188 |
542.8 |
-8.0 |
0.689 |
7 |
0 |
0 |
0.014 |
35 |
|
Q |
56 |
14 |
6654 |
◊ |
N |
x,y,z |
1_555 |
57 |
16 |
10873 |
516.6 |
-8.1 |
0.053 |
3 |
0 |
0 |
0.000 |
36 |
|
U |
48 |
15 |
3958 |
◊ |
K |
x,y,z |
1_555 |
52 |
16 |
7229 |
513.4 |
-8.0 |
0.050 |
7 |
1 |
0 |
0.012 |
37 |
|
4 |
45 |
4 |
1023 |
◊ |
0 |
x,y,z |
1_555 |
78 |
15 |
366421 |
512.7 |
-5.0 |
0.858 |
4 |
0 |
0 |
0.000 |
38 |
|
0 |
56 |
9 |
366421 |
◊ |
G |
x,y,z |
1_555 |
50 |
13 |
2743 |
470.8 |
-6.4 |
0.787 |
9 |
0 |
0 |
0.000 |
39 |
|
K |
35 |
12 |
7229 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
36 |
12 |
7229 |
372.5 |
0.1 |
0.478 |
4 |
4 |
0 |
0.000 |
40 |
|
[1MA]0:628 |
22 |
1 |
504 |
cf |
0 |
x,y,z |
1_555 |
51 |
11 |
366421 |
328.7 |
-1.8 |
0.778 |
5 |
0 |
0 |
0.006 |
41 |
|
V |
35 |
10 |
4547 |
◊ |
S |
x,y,z |
1_555 |
36 |
10 |
5183 |
327.9 |
-4.3 |
0.164 |
0 |
0 |
0 |
0.007 |
42 |
|
[OMG]0:2588 |
24 |
1 |
510 |
cf |
0 |
x,y,z |
1_555 |
45 |
7 |
366421 |
289.4 |
-2.9 |
0.774 |
2 |
0 |
0 |
0.006 |
43 |
|
K |
27 |
9 |
7229 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
18389 |
279.0 |
-2.2 |
0.258 |
2 |
0 |
0 |
0.000 |
44 |
|
[OMU]0:2587 |
21 |
1 |
455 |
cf |
0 |
x,y,z |
1_555 |
48 |
11 |
366421 |
278.6 |
-1.1 |
0.834 |
1 |
0 |
0 |
0.002 |
45 |
|
J |
29 |
6 |
8464 |
◊ |
E |
x,y,z |
1_555 |
28 |
8 |
10198 |
275.3 |
-3.2 |
0.138 |
3 |
0 |
0 |
0.006 |
46 |
|
2 |
31 |
7 |
5062 |
◊ |
S |
x,y,z |
1_555 |
32 |
8 |
5183 |
265.6 |
-2.9 |
0.217 |
2 |
1 |
0 |
0.006 |
47 |
|
[UR3]0:2619 |
21 |
1 |
452 |
cf |
0 |
x,y,z |
1_555 |
41 |
8 |
366421 |
260.9 |
-0.9 |
0.861 |
0 |
0 |
0 |
0.001 |
48 |
|
9 |
32 |
7 |
19950 |
◊ |
Q |
x,y,z |
1_555 |
24 |
6 |
6654 |
258.4 |
-2.8 |
0.742 |
4 |
0 |
0 |
0.000 |
49 |
|
[PSU]0:2621 |
19 |
1 |
427 |
cf |
0 |
x,y,z |
1_555 |
42 |
8 |
366421 |
249.5 |
-2.2 |
0.669 |
3 |
0 |
0 |
0.005 |
50 |
|
J |
29 |
10 |
8464 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
18389 |
237.6 |
0.6 |
0.529 |
6 |
1 |
0 |
0.000 |
51 |
|
N |
31 |
9 |
10873 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
9517 |
225.0 |
1.2 |
0.660 |
2 |
0 |
0 |
0.000 |
52 |
|
O |
17 |
4 |
6484 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
14337 |
181.9 |
-1.4 |
0.267 |
0 |
0 |
0 |
0.000 |
53 |
|
U |
15 |
4 |
3958 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
18389 |
171.9 |
-1.4 |
0.336 |
4 |
0 |
0 |
0.000 |
54 |
|
2 |
22 |
5 |
5062 |
◊ |
1 |
x,y,z |
1_555 |
18 |
6 |
4889 |
166.1 |
-2.2 |
0.261 |
0 |
0 |
0 |
0.002 |
55 |
|
0 |
22 |
6 |
366421 |
◊ |
V |
x,-y+1,-z |
4_565 |
15 |
6 |
4547 |
164.8 |
-3.7 |
0.373 |
1 |
0 |
0 |
0.000 |
56 |
|
9 |
26 |
3 |
19950 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
19 |
2 |
366421 |
162.8 |
-0.5 |
0.910 |
0 |
0 |
0 |
0.000 |
57 |
|
1 |
15 |
4 |
4889 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
14337 |
160.3 |
-1.2 |
0.375 |
3 |
4 |
0 |
0.002 |
58 |
|
3 |
14 |
4 |
7730 |
◊ |
M |
x,y,z |
1_555 |
23 |
6 |
12414 |
157.0 |
-2.6 |
0.141 |
1 |
0 |
0 |
0.002 |
59 |
|
0 |
16 |
2 |
366421 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
19 |
4 |
366421 |
152.6 |
-5.7 |
0.523 |
2 |
0 |
0 |
0.000 |
60 |
|
[K]0:9002 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
25 |
11 |
366421 |
132.6 |
-85.5 |
0.000 |
0 |
0 |
0 |
0.133 |
61 |
|
9 |
15 |
4 |
19950 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
9316 |
124.2 |
0.6 |
0.741 |
2 |
0 |
0 |
0.000 |
62 |
|
[K]0:9001 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
18 |
8 |
366421 |
121.6 |
-104.6 |
0.000 |
0 |
0 |
0 |
0.162 |
63 |
|
[ACA]4:78 |
4 |
1 |
197 |
◊ |
0 |
x,y,z |
1_555 |
21 |
5 |
366421 |
114.5 |
4.2 |
0.243 |
1 |
0 |
0 |
0.000 |
64 |
|
0 |
20 |
3 |
366421 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
20 |
3 |
366421 |
113.4 |
1.2 |
0.950 |
2 |
0 |
0 |
0.000 |
65 |
|
N |
15 |
7 |
10873 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
16 |
2 |
366421 |
113.2 |
-2.5 |
0.438 |
0 |
0 |
0 |
0.000 |
66 |
|
O |
19 |
7 |
6484 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11377 |
111.8 |
-0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
67 |
|
0 |
19 |
6 |
366421 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
12 |
4 |
10198 |
99.2 |
-0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
68 |
|
[OMG]0:2588 |
14 |
1 |
510 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
13 |
1 |
455 |
91.1 |
-0.6 |
0.534 |
0 |
0 |
0 |
0.000 |
69 |
|
[CL]0:9305 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
20 |
7 |
366421 |
88.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.018 |
70 |
|
T |
16 |
5 |
8114 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
14337 |
82.7 |
-1.0 |
0.302 |
0 |
0 |
0 |
0.000 |
71 |
|
[UR3]0:2619 |
10 |
1 |
452 |
◊ |
4 |
x,y,z |
1_555 |
12 |
2 |
1023 |
80.8 |
1.8 |
0.761 |
0 |
0 |
0 |
0.000 |
72 |
|
[OMG]0:2588 |
5 |
1 |
510 |
◊ |
4 |
x,y,z |
1_555 |
8 |
3 |
1023 |
79.1 |
2.1 |
0.760 |
3 |
0 |
0 |
0.000 |
73 |
|
[CL]R:9306 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
10 |
4 |
8469 |
74.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.100 |
74 |
|
[CL]3:9304 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7730 |
68.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.100 |
75 |
|
W |
8 |
2 |
8188 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
12 |
1 |
366421 |
68.6 |
-1.1 |
0.265 |
0 |
0 |
0 |
0.000 |
76 |
|
[CL]M:9318 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
12414 |
68.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
77 |
|
[CD]O:9205 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
18 |
7 |
6484 |
67.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.049 |
78 |
|
[CL]0:9315 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
366421 |
67.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.015 |
79 |
|
[CL]0:9313 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
366421 |
67.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.015 |
80 |
|
[CL]J:9302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8464 |
64.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.037 |
81 |
|
[1MA]0:628 |
8 |
1 |
504 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10433 |
64.3 |
-2.0 |
0.216 |
0 |
0 |
0 |
0.002 |
82 |
|
[CL]0:9322 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
9 |
3 |
366421 |
62.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.014 |
83 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
5 |
366421 |
61.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.009 |
84 |
|
[CL]O:9308 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
9 |
4 |
6484 |
61.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.051 |
85 |
|
[CL]A:9309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14233 |
61.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
86 |
|
[CL]0:9314 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11377 |
60.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.044 |
87 |
|
[CL]J:9301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
8464 |
60.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.032 |
88 |
|
[CL]L:9310 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
14 |
4 |
11377 |
59.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.056 |
89 |
|
[CL]N:9307 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
11 |
3 |
10873 |
59.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.119 |
90 |
|
[ACA]4:78 |
4 |
1 |
197 |
cf |
4 |
x,y,z |
1_555 |
5 |
1 |
1023 |
59.5 |
2.2 |
0.051 |
0 |
0 |
0 |
0.000 |
91 |
|
[CL]B:9319 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18389 |
59.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
92 |
|
[CL]0:9303 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
366421 |
58.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.011 |
93 |
|
Y |
7 |
1 |
10433 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
11377 |
58.5 |
0.8 |
0.640 |
0 |
0 |
0 |
0.000 |
94 |
|
[CL]J:9321 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
8464 |
57.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.031 |
95 |
|
[CL]0:9311 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
11 |
6 |
6654 |
57.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.100 |
96 |
|
[CL]0:9317 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
8 |
3 |
10433 |
55.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.006 |
97 |
|
[CL]0:9316 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
366421 |
53.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.011 |
98 |
|
[CL]0:9317 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
3 |
366421 |
52.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.011 |
99 |
|
9 |
7 |
2 |
19950 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
18389 |
51.1 |
1.0 |
0.816 |
2 |
0 |
0 |
0.000 |
100 |
|
[CL]0:9316 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
8464 |
50.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.006 |
101 |
|
[CL]0:9312 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
7229 |
50.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.100 |
102 |
|
[K]0:9002 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
8 |
1 |
12414 |
48.9 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.029 |
103 |
|
[CL]0:9312 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
4 |
366421 |
48.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.008 |
104 |
|
[CL]Y:9320 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
5 |
3 |
10433 |
45.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.004 |
105 |
|
[CL]0:9314 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
366421 |
43.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.005 |
106 |
|
[CL]O:9308 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
2 |
366421 |
42.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.007 |
107 |
|
[CL]B:9319 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
366421 |
39.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.003 |
108 |
|
[CL]0:9311 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366421 |
35.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.005 |
109 |
|
[CL]L:9310 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366421 |
34.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.003 |
110 |
|
D |
6 |
1 |
9517 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
18389 |
32.7 |
-0.3 |
0.536 |
0 |
0 |
0 |
0.000 |
111 |
|
0 |
5 |
2 |
366421 |
◊ |
F |
x,-y+1,-z |
4_565 |
5 |
1 |
6152 |
32.6 |
-1.8 |
0.377 |
0 |
0 |
0 |
0.000 |
112 |
|
[CL]J:9321 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366421 |
32.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.005 |
113 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9517 |
32.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
114 |
|
[CL]0:9303 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5062 |
27.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
115 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10198 |
27.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
116 |
|
3 |
5 |
1 |
7730 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11377 |
27.2 |
0.6 |
0.570 |
0 |
0 |
0 |
0.000 |
117 |
|
[CL]A:9309 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
366421 |
23.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.005 |
118 |
|
G |
3 |
1 |
2743 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
366421 |
19.7 |
0.5 |
0.753 |
0 |
0 |
0 |
0.000 |
119 |
|
[CL]R:9306 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
366421 |
12.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
120 |
|
M |
2 |
1 |
12414 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14233 |
11.5 |
0.6 |
0.772 |
0 |
0 |
0 |
0.000 |
121 |
|
[CL]0:9313 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10433 |
10.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
122 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
[CL]0:9313 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
123 |
|
[K]0:9001 |
1 |
1 |
216 |
◊ |
4 |
x,y,z |
1_555 |
1 |
1 |
1023 |
6.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
124 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
3 |
2 |
19950 |
6.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
125 |
|
[CL]0:9322 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
3 |
1 |
8188 |
6.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
126 |
|
N |
1 |
1 |
10873 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
10672 |
5.8 |
-0.0 |
0.475 |
0 |
0 |
0 |
0.000 |
127 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366421 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
128 |
|
[CL]J:9302 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366421 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|