## |
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 |
823 |
140 |
367097 |
◊ |
B |
x,y,z |
1_555 |
746 |
164 |
18409 |
7192.4 |
-135.4 |
0.628 |
167 |
0 |
0 |
0.130 |
2 |
|
0 |
755 |
142 |
367097 |
◊ |
M |
x,y,z |
1_555 |
611 |
135 |
12400 |
6213.2 |
-117.2 |
0.657 |
132 |
0 |
0 |
0.190 |
3 |
|
0 |
732 |
117 |
367097 |
◊ |
A |
x,y,z |
1_555 |
612 |
131 |
14234 |
6134.3 |
-115.5 |
0.560 |
129 |
0 |
0 |
0.236 |
4 |
|
0 |
643 |
110 |
367097 |
◊ |
C |
x,y,z |
1_555 |
523 |
128 |
14395 |
5412.8 |
-88.0 |
0.729 |
110 |
0 |
0 |
0.111 |
5 |
|
0 |
483 |
97 |
367097 |
◊ |
P |
x,y,z |
1_555 |
394 |
94 |
10704 |
4190.1 |
-81.0 |
0.606 |
102 |
0 |
0 |
0.109 |
6 |
|
0 |
522 |
109 |
367097 |
◊ |
L |
x,y,z |
1_555 |
381 |
81 |
11417 |
4059.9 |
-67.7 |
0.596 |
98 |
0 |
0 |
0.102 |
7 |
|
0 |
494 |
95 |
367097 |
◊ |
Y |
x,y,z |
1_555 |
386 |
87 |
10455 |
4031.1 |
-72.2 |
0.742 |
83 |
0 |
0 |
0.107 |
8 |
|
0 |
379 |
69 |
367097 |
◊ |
R |
x,y,z |
1_555 |
323 |
80 |
8446 |
3081.5 |
-54.0 |
0.609 |
65 |
0 |
0 |
0.086 |
9 |
|
0 |
363 |
60 |
367097 |
◊ |
3 |
x,y,z |
1_555 |
316 |
68 |
7729 |
3036.1 |
-62.5 |
0.293 |
52 |
0 |
0 |
0.086 |
10 |
|
0 |
375 |
77 |
367097 |
◊ |
1 |
x,y,z |
1_555 |
269 |
54 |
4898 |
2866.7 |
-55.1 |
0.676 |
58 |
0 |
0 |
0.094 |
11 |
|
0 |
345 |
60 |
367097 |
◊ |
T |
x,y,z |
1_555 |
277 |
67 |
8115 |
2813.2 |
-39.8 |
0.847 |
61 |
0 |
0 |
0.082 |
12 |
|
0 |
317 |
54 |
367097 |
◊ |
H |
x,y,z |
1_555 |
275 |
61 |
9312 |
2622.4 |
-49.3 |
0.465 |
50 |
0 |
0 |
0.087 |
13 |
|
0 |
293 |
58 |
367097 |
◊ |
Q |
x,y,z |
1_555 |
247 |
60 |
6665 |
2471.3 |
-53.8 |
0.492 |
63 |
0 |
0 |
0.089 |
14 |
|
0 |
273 |
48 |
367097 |
◊ |
J |
x,y,z |
1_555 |
248 |
68 |
8534 |
2413.3 |
-36.4 |
0.624 |
41 |
0 |
0 |
0.076 |
15 |
|
0 |
326 |
51 |
367097 |
◊ |
2 |
x,y,z |
1_555 |
234 |
43 |
5074 |
2389.4 |
-29.5 |
0.669 |
29 |
0 |
0 |
0.066 |
16 |
|
9 |
271 |
41 |
20005 |
◊ |
N |
x,y,z |
1_555 |
240 |
66 |
10952 |
2283.1 |
-33.7 |
0.917 |
58 |
0 |
0 |
0.865 |
17 |
|
0 |
239 |
39 |
367097 |
◊ |
W |
x,y,z |
1_555 |
211 |
54 |
8234 |
2045.1 |
-38.4 |
0.375 |
38 |
0 |
0 |
0.069 |
18 |
|
0 |
229 |
45 |
367097 |
◊ |
K |
x,y,z |
1_555 |
194 |
49 |
7267 |
1889.8 |
-32.2 |
0.677 |
51 |
0 |
0 |
0.072 |
19 |
|
0 |
214 |
31 |
367097 |
◊ |
O |
x,y,z |
1_555 |
182 |
50 |
6497 |
1844.0 |
-25.3 |
0.773 |
45 |
0 |
0 |
0.070 |
20 |
|
0 |
207 |
40 |
367097 |
◊ |
X |
x,y,z |
1_555 |
161 |
38 |
5133 |
1683.8 |
-25.8 |
0.713 |
31 |
0 |
0 |
0.061 |
21 |
|
0 |
205 |
36 |
367097 |
◊ |
E |
x,y,z |
1_555 |
166 |
45 |
10194 |
1646.0 |
-24.0 |
0.448 |
23 |
0 |
0 |
0.053 |
22 |
|
9 |
145 |
20 |
20005 |
◊ |
D |
x,y,z |
1_555 |
123 |
33 |
9659 |
1269.5 |
-20.1 |
0.669 |
15 |
0 |
0 |
0.041 |
23 |
|
0 |
168 |
33 |
367097 |
◊ |
Z |
x,y,z |
1_555 |
119 |
34 |
5619 |
1252.1 |
-13.2 |
0.732 |
24 |
0 |
0 |
0.037 |
24 |
|
0 |
126 |
19 |
367097 |
◊ |
N |
x,y,z |
1_555 |
120 |
31 |
10952 |
1119.7 |
-8.1 |
0.414 |
11 |
0 |
0 |
0.016 |
25 |
|
0 |
118 |
19 |
367097 |
◊ |
D |
x,y,z |
1_555 |
122 |
40 |
9659 |
1084.4 |
-11.1 |
0.902 |
22 |
0 |
0 |
0.032 |
26 |
|
Z |
111 |
32 |
5619 |
◊ |
A |
x,y,z |
1_555 |
108 |
36 |
14234 |
1043.3 |
-14.4 |
0.017 |
17 |
2 |
0 |
0.030 |
27 |
|
9 |
114 |
20 |
20005 |
◊ |
0 |
x,y,z |
1_555 |
139 |
34 |
367097 |
1034.4 |
-24.2 |
0.952 |
12 |
0 |
0 |
0.046 |
28 |
|
0 |
123 |
26 |
367097 |
◊ |
S |
x,y,z |
1_555 |
96 |
32 |
5195 |
987.4 |
-18.6 |
0.701 |
22 |
0 |
0 |
0.044 |
29 |
|
0 |
116 |
21 |
367097 |
◊ |
V |
x,y,z |
1_555 |
108 |
28 |
4557 |
977.5 |
-13.9 |
0.741 |
24 |
0 |
0 |
0.038 |
30 |
|
0 |
109 |
18 |
367097 |
◊ |
I |
x,y,z |
1_555 |
100 |
28 |
4425 |
936.2 |
-18.8 |
0.577 |
15 |
0 |
0 |
0.039 |
31 |
|
M |
77 |
20 |
12400 |
◊ |
F |
x,y,z |
1_555 |
72 |
18 |
6162 |
703.3 |
-8.8 |
0.041 |
9 |
4 |
0 |
0.014 |
32 |
|
0 |
88 |
15 |
367097 |
◊ |
U |
x,y,z |
1_555 |
69 |
19 |
3975 |
693.0 |
-9.8 |
0.795 |
10 |
0 |
0 |
0.019 |
33 |
|
5 |
58 |
4 |
1018 |
◊ |
0 |
x,y,z |
1_555 |
90 |
16 |
367097 |
628.1 |
-2.8 |
0.643 |
10 |
0 |
0 |
0.000 |
34 |
|
0 |
70 |
10 |
367097 |
◊ |
F |
x,y,z |
1_555 |
57 |
20 |
6162 |
624.3 |
-13.0 |
0.499 |
17 |
0 |
0 |
0.028 |
35 |
|
9 |
69 |
11 |
20005 |
◊ |
W |
x,y,z |
1_555 |
52 |
18 |
8234 |
550.6 |
-8.0 |
0.686 |
8 |
0 |
0 |
0.014 |
36 |
|
Q |
55 |
14 |
6665 |
◊ |
N |
x,y,z |
1_555 |
57 |
16 |
10952 |
516.6 |
-8.4 |
0.047 |
3 |
0 |
0 |
0.000 |
37 |
|
U |
49 |
14 |
3975 |
◊ |
K |
x,y,z |
1_555 |
51 |
16 |
7267 |
513.9 |
-7.8 |
0.055 |
6 |
1 |
0 |
0.000 |
38 |
|
0 |
54 |
10 |
367097 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
2781 |
465.5 |
-6.0 |
0.787 |
9 |
0 |
0 |
0.000 |
39 |
|
4 |
33 |
3 |
905 |
◊ |
0 |
x,y,z |
1_555 |
68 |
16 |
367097 |
386.7 |
-8.0 |
0.779 |
6 |
0 |
0 |
0.000 |
40 |
|
K |
35 |
12 |
7267 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
35 |
12 |
7267 |
359.6 |
-0.2 |
0.448 |
2 |
2 |
0 |
0.000 |
41 |
|
V |
37 |
10 |
4557 |
◊ |
S |
x,y,z |
1_555 |
38 |
10 |
5195 |
343.7 |
-4.4 |
0.172 |
1 |
1 |
0 |
0.008 |
42 |
|
[1MA]0:628 |
23 |
1 |
503 |
cf |
0 |
x,y,z |
1_555 |
47 |
10 |
367097 |
327.7 |
-1.8 |
0.769 |
5 |
0 |
0 |
0.006 |
43 |
|
K |
27 |
9 |
7267 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
18409 |
289.1 |
-1.8 |
0.303 |
2 |
0 |
0 |
0.000 |
44 |
|
[OMU]0:2587 |
21 |
1 |
457 |
cf |
0 |
x,y,z |
1_555 |
48 |
11 |
367097 |
280.5 |
-0.8 |
0.842 |
1 |
0 |
0 |
0.002 |
45 |
|
[UR3]0:2619 |
21 |
1 |
447 |
cf |
0 |
x,y,z |
1_555 |
39 |
8 |
367097 |
279.3 |
-3.1 |
0.798 |
0 |
0 |
0 |
0.005 |
46 |
|
[OMG]0:2588 |
24 |
1 |
510 |
cf |
0 |
x,y,z |
1_555 |
46 |
7 |
367097 |
277.0 |
-2.8 |
0.777 |
2 |
0 |
0 |
0.006 |
47 |
|
J |
30 |
6 |
8534 |
◊ |
E |
x,y,z |
1_555 |
28 |
8 |
10194 |
275.0 |
-3.4 |
0.123 |
3 |
0 |
0 |
0.007 |
48 |
|
2 |
30 |
7 |
5074 |
◊ |
S |
x,y,z |
1_555 |
31 |
9 |
5195 |
265.6 |
-2.7 |
0.230 |
2 |
1 |
0 |
0.006 |
49 |
|
[PSU]0:2621 |
20 |
1 |
425 |
cf |
0 |
x,y,z |
1_555 |
41 |
8 |
367097 |
261.3 |
-1.5 |
0.734 |
3 |
0 |
0 |
0.004 |
50 |
|
9 |
32 |
7 |
20005 |
◊ |
Q |
x,y,z |
1_555 |
24 |
5 |
6665 |
258.4 |
-2.9 |
0.742 |
5 |
0 |
0 |
0.000 |
51 |
|
[PPU]4:76 |
22 |
1 |
514 |
◊ |
0 |
x,y,z |
1_555 |
38 |
9 |
367097 |
250.4 |
1.5 |
0.546 |
4 |
0 |
0 |
0.000 |
52 |
|
J |
25 |
8 |
8534 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
18409 |
229.6 |
1.3 |
0.617 |
5 |
1 |
0 |
0.000 |
53 |
|
N |
31 |
8 |
10952 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
9659 |
225.9 |
1.3 |
0.669 |
3 |
0 |
0 |
0.000 |
54 |
|
[BTN]5:79 |
15 |
1 |
391 |
◊ |
0 |
x,y,z |
1_555 |
38 |
7 |
367097 |
197.8 |
3.6 |
0.400 |
2 |
0 |
0 |
0.000 |
55 |
|
O |
17 |
4 |
6497 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
14395 |
181.3 |
-1.6 |
0.232 |
0 |
0 |
0 |
0.000 |
56 |
|
2 |
22 |
5 |
5074 |
◊ |
1 |
x,y,z |
1_555 |
20 |
7 |
4898 |
175.5 |
-2.2 |
0.272 |
0 |
0 |
0 |
0.003 |
57 |
|
U |
15 |
4 |
3975 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
18409 |
172.5 |
-1.4 |
0.328 |
4 |
0 |
0 |
0.000 |
58 |
|
0 |
23 |
6 |
367097 |
◊ |
V |
x,-y+1,-z |
4_565 |
15 |
6 |
4557 |
169.6 |
-3.7 |
0.406 |
1 |
0 |
0 |
0.000 |
59 |
|
[PPU]4:76 |
21 |
1 |
514 |
cf |
4 |
x,y,z |
1_555 |
19 |
2 |
905 |
161.7 |
1.4 |
0.549 |
0 |
0 |
0 |
0.000 |
60 |
|
9 |
25 |
3 |
20005 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
19 |
2 |
367097 |
161.7 |
-0.4 |
0.912 |
1 |
0 |
0 |
0.000 |
61 |
|
1 |
15 |
4 |
4898 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
14395 |
161.4 |
-1.1 |
0.383 |
3 |
4 |
0 |
0.002 |
62 |
|
3 |
14 |
4 |
7729 |
◊ |
M |
x,y,z |
1_555 |
22 |
6 |
12400 |
157.8 |
-2.5 |
0.139 |
1 |
0 |
0 |
0.002 |
63 |
|
0 |
16 |
2 |
367097 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
20 |
4 |
367097 |
150.8 |
-5.5 |
0.541 |
1 |
0 |
0 |
0.000 |
64 |
|
[ACA]5:78 |
8 |
1 |
291 |
◊ |
0 |
x,y,z |
1_555 |
30 |
7 |
367097 |
136.2 |
4.3 |
0.002 |
1 |
0 |
0 |
0.000 |
65 |
|
[K]0:9002 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
22 |
10 |
367097 |
131.6 |
-85.5 |
0.000 |
0 |
0 |
0 |
0.132 |
66 |
|
9 |
15 |
4 |
20005 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
9312 |
129.8 |
0.4 |
0.730 |
2 |
0 |
0 |
0.000 |
67 |
|
O |
18 |
6 |
6497 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11417 |
123.1 |
-0.2 |
0.428 |
0 |
0 |
0 |
0.000 |
68 |
|
[K]0:9001 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
14 |
8 |
367097 |
120.8 |
-103.4 |
0.000 |
0 |
0 |
0 |
0.160 |
69 |
|
N |
16 |
7 |
10952 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
16 |
2 |
367097 |
114.6 |
-2.7 |
0.418 |
0 |
0 |
0 |
0.000 |
70 |
|
0 |
20 |
3 |
367097 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
20 |
3 |
367097 |
114.5 |
1.3 |
0.952 |
2 |
0 |
0 |
0.000 |
71 |
|
0 |
20 |
7 |
367097 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
16 |
6 |
10194 |
114.0 |
-0.4 |
0.799 |
0 |
0 |
0 |
0.000 |
72 |
|
[OMG]0:2588 |
14 |
1 |
510 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
13 |
1 |
457 |
89.6 |
-0.6 |
0.533 |
0 |
0 |
0 |
0.000 |
73 |
|
[CL]0:9305 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
19 |
7 |
367097 |
87.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.018 |
74 |
|
T |
17 |
5 |
8115 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14395 |
81.9 |
-1.1 |
0.293 |
0 |
0 |
0 |
0.000 |
75 |
|
[BTN]5:79 |
11 |
1 |
391 |
cf |
[ACA]5:78 |
x,y,z |
1_555 |
7 |
1 |
291 |
79.2 |
1.8 |
0.205 |
0 |
0 |
0 |
0.000 |
76 |
|
[PPU]4:76 |
14 |
1 |
514 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
10 |
1 |
447 |
77.4 |
1.3 |
0.521 |
0 |
0 |
0 |
0.000 |
77 |
|
[CL]R:9306 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
11 |
4 |
8446 |
73.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.100 |
78 |
|
W |
10 |
2 |
8234 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
12 |
1 |
367097 |
71.3 |
-1.3 |
0.320 |
0 |
0 |
0 |
0.000 |
79 |
|
[CL]3:9304 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7729 |
69.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.100 |
80 |
|
[CL]M:9318 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
9 |
7 |
12400 |
67.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.100 |
81 |
|
[CL]0:9313 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
367097 |
67.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.015 |
82 |
|
[CL]0:9315 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
367097 |
67.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.015 |
83 |
|
[CD]O:9205 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
18 |
6 |
6497 |
67.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.049 |
84 |
|
[1MA]0:628 |
8 |
1 |
503 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10455 |
67.0 |
-2.1 |
0.221 |
0 |
0 |
0 |
0.002 |
85 |
|
[CL]J:9302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8534 |
63.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.037 |
86 |
|
[OMG]0:2588 |
5 |
1 |
510 |
◊ |
4 |
x,y,z |
1_555 |
6 |
2 |
905 |
63.3 |
0.8 |
0.680 |
3 |
0 |
0 |
0.000 |
87 |
|
[CL]0:9322 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
367097 |
62.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.014 |
88 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
5 |
367097 |
61.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.009 |
89 |
|
[CL]A:9309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14234 |
61.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.100 |
90 |
|
[CL]0:9314 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11417 |
61.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.045 |
91 |
|
[CL]O:9308 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
10 |
5 |
6497 |
61.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.051 |
92 |
|
[CL]J:9301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
8534 |
60.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.033 |
93 |
|
[CL]L:9310 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11417 |
59.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.055 |
94 |
|
[CL]N:9307 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
11 |
4 |
10952 |
59.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.119 |
95 |
|
[CL]0:9311 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
11 |
6 |
6665 |
59.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.100 |
96 |
|
[CL]0:9303 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
367097 |
58.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.011 |
97 |
|
[CL]B:9319 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18409 |
58.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
98 |
|
[CL]J:9321 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
8534 |
57.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.030 |
99 |
|
Y |
7 |
1 |
10455 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
11417 |
56.6 |
0.7 |
0.638 |
0 |
0 |
0 |
0.000 |
100 |
|
[BTN]5:79 |
6 |
1 |
391 |
f |
5 |
x,y,z |
1_555 |
9 |
1 |
1018 |
55.7 |
0.5 |
0.339 |
1 |
0 |
0 |
0.000 |
101 |
|
[CL]0:9317 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
9 |
4 |
10455 |
54.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.006 |
102 |
|
[CL]0:9316 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
9 |
3 |
367097 |
52.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.010 |
103 |
|
[CL]0:9316 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
6 |
3 |
8534 |
52.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.007 |
104 |
|
[CL]0:9317 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
3 |
367097 |
52.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.011 |
105 |
|
9 |
7 |
2 |
20005 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
18409 |
51.0 |
1.2 |
0.832 |
2 |
0 |
0 |
0.000 |
106 |
|
[CL]0:9312 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
10 |
5 |
7267 |
50.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.100 |
107 |
|
[K]0:9002 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
7 |
1 |
12400 |
49.4 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.029 |
108 |
|
[CL]0:9312 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
4 |
367097 |
48.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.008 |
109 |
|
5 |
7 |
2 |
1018 |
◊ |
4 |
x,y,z |
1_555 |
7 |
1 |
905 |
48.3 |
-0.3 |
0.624 |
1 |
0 |
0 |
0.000 |
110 |
|
[CL]Y:9320 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10455 |
45.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.004 |
111 |
|
[PPU]4:76 |
5 |
1 |
514 |
◊ |
[OMG]0:2588 |
x,y,z |
1_555 |
5 |
1 |
510 |
45.1 |
1.9 |
0.608 |
0 |
0 |
0 |
0.000 |
112 |
|
[CL]0:9314 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
367097 |
43.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.005 |
113 |
|
[ACA]5:78 |
4 |
1 |
291 |
cf |
5 |
x,y,z |
1_555 |
7 |
2 |
1018 |
42.6 |
1.4 |
0.781 |
0 |
0 |
0 |
0.000 |
114 |
|
[CL]O:9308 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
2 |
367097 |
42.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.007 |
115 |
|
[CL]B:9319 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
367097 |
39.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.003 |
116 |
|
[ACA]5:78 |
4 |
1 |
291 |
◊ |
4 |
x,y,z |
1_555 |
8 |
1 |
905 |
37.5 |
0.8 |
0.780 |
0 |
0 |
0 |
0.000 |
117 |
|
[CL]0:9311 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
367097 |
35.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.005 |
118 |
|
[CL]J:9321 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
367097 |
34.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.006 |
119 |
|
[CL]L:9310 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
367097 |
33.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.003 |
120 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9659 |
31.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
121 |
|
D |
6 |
1 |
9659 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
18409 |
30.0 |
-0.3 |
0.538 |
0 |
0 |
0 |
0.000 |
122 |
|
0 |
4 |
2 |
367097 |
◊ |
F |
x,-y+1,-z |
4_565 |
4 |
1 |
6162 |
28.8 |
-1.8 |
0.311 |
0 |
0 |
0 |
0.000 |
123 |
|
[CL]0:9303 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5074 |
27.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
124 |
|
3 |
4 |
1 |
7729 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11417 |
27.3 |
0.6 |
0.541 |
0 |
0 |
0 |
0.000 |
125 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10194 |
26.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
126 |
|
[PSU]0:2621 |
4 |
1 |
425 |
◊ |
5 |
x,y,z |
1_555 |
3 |
1 |
1018 |
24.4 |
0.1 |
0.499 |
0 |
0 |
0 |
0.000 |
127 |
|
[CL]A:9309 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
367097 |
23.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
128 |
|
G |
4 |
2 |
2781 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
367097 |
21.6 |
0.5 |
0.743 |
0 |
0 |
0 |
0.000 |
129 |
|
[PPU]4:76 |
3 |
1 |
514 |
◊ |
5 |
x,y,z |
1_555 |
4 |
2 |
1018 |
19.0 |
0.5 |
0.502 |
1 |
0 |
0 |
0.000 |
130 |
|
M |
2 |
1 |
12400 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14234 |
11.6 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
131 |
|
[CL]R:9306 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
367097 |
11.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.001 |
132 |
|
[CL]0:9313 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10455 |
10.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
133 |
|
[CL]0:9322 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
3 |
1 |
8234 |
9.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.001 |
134 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
3 |
2 |
20005 |
7.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
135 |
|
[K]0:9001 |
1 |
1 |
216 |
◊ |
4 |
x,y,z |
1_555 |
2 |
1 |
905 |
7.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
136 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
[CL]0:9313 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
137 |
|
[BTN]5:79 |
2 |
1 |
391 |
◊ |
[PSU]0:2621 |
x,y,z |
1_555 |
2 |
1 |
425 |
5.7 |
0.3 |
0.340 |
0 |
0 |
0 |
0.000 |
138 |
|
N |
1 |
1 |
10952 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10704 |
4.0 |
-0.0 |
0.469 |
0 |
0 |
0 |
0.000 |
139 |
|
[UR3]0:2619 |
1 |
1 |
447 |
◊ |
5 |
x,y,z |
1_555 |
1 |
1 |
1018 |
2.8 |
0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
140 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
367097 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
141 |
|
[BTN]5:79 |
1 |
1 |
391 |
◊ |
4 |
x,y,z |
1_555 |
2 |
1 |
905 |
2.0 |
-0.0 |
0.330 |
0 |
0 |
0 |
0.000 |
142 |
|
[UR3]0:2619 |
1 |
1 |
447 |
◊ |
4 |
x,y,z |
1_555 |
1 |
1 |
905 |
1.7 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.000 |
143 |
|
[CD]O:9205 |
1 |
1 |
112 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
367097 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
144 |
|
[CL]J:9302 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
367097 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|