## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
J |
662 |
146 |
32280 |
◊ |
I |
x,y,z |
1_555 |
660 |
146 |
32383 |
6308.0 |
-56.6 |
0.999 |
341 |
0 |
0 |
0.853 |
2 |
2 |
|
F |
244 |
57 |
7662 |
◊ |
E |
x,y,z |
1_555 |
255 |
59 |
8778 |
2509.6 |
-43.1 |
0.030 |
22 |
3 |
0 |
1.000 |
3 |
|
B |
237 |
52 |
7100 |
◊ |
A |
x,y,z |
1_555 |
250 |
59 |
8796 |
2464.1 |
-38.2 |
0.072 |
19 |
2 |
0 |
1.000 |
Average: |
2486.8 |
-40.6 |
0.051 |
21 |
3 |
0 |
1.000 |
3 |
4 |
|
D |
249 |
61 |
7701 |
◊ |
C |
x,y,z |
1_555 |
237 |
60 |
8447 |
2453.8 |
-41.3 |
0.057 |
23 |
5 |
0 |
1.000 |
5 |
|
H |
245 |
62 |
7912 |
◊ |
G |
x,y,z |
1_555 |
238 |
59 |
9067 |
2440.3 |
-40.2 |
0.048 |
17 |
5 |
0 |
1.000 |
Average: |
2447.0 |
-40.8 |
0.053 |
20 |
5 |
0 |
1.000 |
4 |
6 |
|
I |
87 |
18 |
32383 |
◊ |
E |
x,y,z |
1_555 |
83 |
25 |
8778 |
704.7 |
-11.6 |
0.626 |
17 |
0 |
0 |
0.372 |
5 |
7 |
|
I |
90 |
16 |
32383 |
◊ |
A |
x,y,z |
1_555 |
73 |
19 |
8796 |
667.3 |
-10.6 |
0.679 |
10 |
0 |
0 |
0.276 |
6 |
8 |
|
G |
57 |
17 |
9067 |
◊ |
A |
x,y,z |
1_555 |
64 |
23 |
8796 |
665.0 |
-7.7 |
0.331 |
9 |
0 |
0 |
0.776 |
9 |
|
C |
56 |
16 |
8447 |
◊ |
E |
x,y,z |
1_555 |
63 |
21 |
8778 |
635.0 |
-8.5 |
0.288 |
8 |
0 |
0 |
0.776 |
Average: |
650.0 |
-8.1 |
0.310 |
9 |
0 |
0 |
0.776 |
7 |
10 |
|
J |
86 |
16 |
32280 |
◊ |
A |
x,y,z |
1_555 |
74 |
22 |
8796 |
661.7 |
-11.0 |
0.621 |
14 |
0 |
0 |
0.601 |
8 |
11 |
|
J |
82 |
15 |
32280 |
◊ |
E |
x,y,z |
1_555 |
64 |
22 |
8778 |
647.6 |
-8.4 |
0.710 |
10 |
0 |
0 |
0.237 |
9 |
12 |
|
E |
53 |
14 |
8778 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
8796 |
564.3 |
-12.4 |
0.099 |
1 |
2 |
0 |
0.206 |
10 |
13 |
|
H |
55 |
13 |
7912 |
◊ |
F |
x,y,z |
1_555 |
58 |
12 |
7662 |
501.4 |
-1.6 |
0.676 |
7 |
2 |
0 |
0.102 |
14 |
|
D |
53 |
12 |
7701 |
◊ |
B |
x,y,z |
1_555 |
52 |
11 |
7100 |
495.8 |
-2.8 |
0.645 |
5 |
3 |
0 |
0.102 |
Average: |
498.6 |
-2.2 |
0.660 |
6 |
3 |
0 |
0.102 |
11 |
15 |
|
J |
55 |
12 |
32280 |
◊ |
C |
x,y,z |
1_555 |
45 |
16 |
8447 |
447.3 |
-6.5 |
0.628 |
5 |
0 |
0 |
0.160 |
12 |
16 |
|
J |
57 |
13 |
32280 |
◊ |
G |
x,y,z |
1_555 |
55 |
16 |
9067 |
441.1 |
-6.9 |
0.590 |
9 |
0 |
0 |
0.203 |
13 |
17 |
|
I |
60 |
13 |
32383 |
◊ |
G |
x,y,z |
1_555 |
48 |
18 |
9067 |
437.7 |
-6.0 |
0.675 |
9 |
0 |
0 |
0.155 |
14 |
18 |
|
C |
43 |
13 |
8447 |
◊ |
F |
x,y,z |
1_555 |
53 |
13 |
7662 |
399.6 |
-3.6 |
0.444 |
7 |
0 |
0 |
0.112 |
19 |
|
G |
40 |
14 |
9067 |
◊ |
B |
x,y,z |
1_555 |
53 |
12 |
7100 |
397.8 |
-4.2 |
0.359 |
4 |
0 |
0 |
0.112 |
Average: |
398.7 |
-3.9 |
0.401 |
6 |
0 |
0 |
0.112 |
15 |
20 |
|
I |
52 |
10 |
32383 |
◊ |
C |
x,y,z |
1_555 |
43 |
10 |
8447 |
369.3 |
-4.9 |
0.690 |
5 |
0 |
0 |
0.118 |
16 |
21 |
|
J |
47 |
9 |
32280 |
◊ |
B |
x,y,z |
1_555 |
40 |
16 |
7100 |
345.6 |
-5.9 |
0.589 |
8 |
0 |
0 |
0.177 |
17 |
22 |
|
I |
44 |
8 |
32383 |
◊ |
F |
x,y,z |
1_555 |
38 |
16 |
7662 |
340.0 |
-6.8 |
0.495 |
6 |
0 |
0 |
0.157 |
18 |
23 |
|
I |
37 |
8 |
32383 |
◊ |
D |
x,y,z |
1_555 |
41 |
14 |
7701 |
338.6 |
-11.0 |
0.274 |
12 |
0 |
0 |
0.300 |
19 |
24 |
|
F |
32 |
8 |
7662 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
48 |
12 |
8447 |
327.2 |
0.9 |
0.776 |
5 |
8 |
0 |
0.005 |
20 |
25 |
|
J |
42 |
10 |
32280 |
◊ |
H |
x,y,z |
1_555 |
38 |
13 |
7912 |
316.6 |
-10.5 |
0.351 |
7 |
0 |
0 |
0.509 |
21 |
26 |
|
F |
32 |
7 |
7662 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
38 |
8 |
7701 |
310.5 |
-0.7 |
0.645 |
2 |
1 |
0 |
0.003 |
22 |
27 |
|
J |
41 |
11 |
32280 |
◊ |
F |
x,y,z |
1_555 |
30 |
11 |
7662 |
268.1 |
-2.6 |
0.701 |
2 |
0 |
0 |
0.013 |
23 |
28 |
|
I |
36 |
6 |
32383 |
◊ |
H |
x,y,z |
1_555 |
31 |
9 |
7912 |
257.0 |
-6.1 |
0.519 |
5 |
0 |
0 |
0.137 |
24 |
29 |
|
J |
26 |
4 |
32280 |
◊ |
D |
x,y,z |
1_555 |
32 |
11 |
7701 |
233.5 |
-5.8 |
0.467 |
3 |
0 |
0 |
0.132 |
25 |
30 |
|
I |
28 |
9 |
32383 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
7100 |
226.6 |
-4.6 |
0.498 |
4 |
0 |
0 |
0.019 |
26 |
31 |
|
H |
31 |
10 |
7912 |
◊ |
B |
x,y,z |
1_555 |
27 |
6 |
7100 |
205.8 |
-2.7 |
0.480 |
4 |
0 |
0 |
0.054 |
32 |
|
D |
33 |
10 |
7701 |
◊ |
F |
x,y,z |
1_555 |
26 |
7 |
7662 |
205.2 |
-1.7 |
0.589 |
3 |
1 |
0 |
0.054 |
Average: |
205.5 |
-2.2 |
0.535 |
4 |
1 |
0 |
0.054 |
27 |
33 |
|
G |
18 |
6 |
9067 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
8447 |
143.6 |
1.0 |
0.781 |
4 |
0 |
0 |
0.007 |
28 |
34 |
|
J |
16 |
4 |
32280 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
20 |
7 |
7701 |
133.5 |
-2.9 |
0.530 |
1 |
0 |
0 |
0.006 |
29 |
35 |
|
E |
13 |
4 |
8778 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
13 |
3 |
8447 |
98.4 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
I |
17 |
3 |
32383 |
◊ |
J |
x-1/2,-y-1/2,-z-1 |
4_444 |
18 |
4 |
32280 |
97.1 |
0.8 |
0.797 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
I |
10 |
3 |
32383 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
11 |
4 |
8796 |
95.8 |
-2.0 |
0.487 |
2 |
0 |
0 |
0.000 |
32 |
38 |
|
G |
17 |
4 |
9067 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
8778 |
93.4 |
1.3 |
0.787 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
5 |
3 |
8447 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8796 |
30.2 |
1.0 |
0.844 |
0 |
0 |
0 |
0.000 |
Average: |
61.8 |
1.1 |
0.815 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
I |
9 |
3 |
32383 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
3 |
7701 |
79.1 |
-1.0 |
0.504 |
0 |
0 |
0 |
0.002 |
34 |
41 |
|
H |
12 |
4 |
7912 |
◊ |
I |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
3 |
32383 |
69.6 |
-1.9 |
0.501 |
1 |
0 |
0 |
0.000 |
35 |
42 |
|
J |
10 |
1 |
32280 |
x |
J |
x-1/2,-y-1/2,-z-1 |
4_444 |
10 |
2 |
32280 |
66.7 |
1.3 |
0.778 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
J |
10 |
4 |
32280 |
◊ |
I |
x-1/2,-y-1/2,-z-1 |
4_444 |
9 |
3 |
32383 |
65.9 |
-0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
D |
7 |
2 |
7701 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
9067 |
62.8 |
0.1 |
0.692 |
0 |
0 |
0 |
0.011 |
45 |
|
H |
7 |
2 |
7912 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
8447 |
50.3 |
-0.7 |
0.551 |
0 |
0 |
0 |
0.011 |
Average: |
56.6 |
-0.3 |
0.621 |
0 |
0 |
0 |
0.011 |
38 |
46 |
|
[CL]I:203 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
32383 |
59.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.168 |
39 |
47 |
|
H |
7 |
1 |
7912 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
1 |
7100 |
57.6 |
0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[CL]J:302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32280 |
52.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.279 |
41 |
49 |
|
E |
7 |
3 |
8778 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
4 |
7701 |
51.5 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[CL]I:205 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
9 |
2 |
32383 |
49.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.107 |
43 |
51 |
|
[MN]G:201 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
9067 |
46.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.224 |
44 |
52 |
|
[MN]I:201 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
2 |
32383 |
45.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.041 |
45 |
53 |
|
[CL]I:204 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32383 |
43.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.107 |
46 |
54 |
|
[MN]G:201 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
7912 |
41.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.048 |
47 |
55 |
|
[MN]E:201 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
8778 |
38.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.086 |
48 |
56 |
|
J |
6 |
2 |
32280 |
◊ |
I |
x-1,y,z |
1_455 |
4 |
2 |
32383 |
38.5 |
-2.3 |
0.287 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[CL]E:202 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
8778 |
38.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.168 |
50 |
58 |
|
G |
4 |
3 |
9067 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
2 |
7100 |
37.9 |
1.2 |
0.852 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
I |
3 |
1 |
32383 |
x |
I |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
2 |
32383 |
33.0 |
-1.5 |
0.399 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
7701 |
29.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.003 |
53 |
61 |
|
I |
2 |
1 |
32383 |
x |
I |
x-1/2,-y-1/2,-z-1 |
4_444 |
5 |
1 |
32383 |
27.5 |
0.4 |
0.666 |
0 |
0 |
0 |
0.000 |
54 |
62 |
|
[CL]J:301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
4 |
1 |
32280 |
27.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.147 |
55 |
63 |
|
[CL]E:202 |
1 |
1 |
125 |
f |
[MN]E:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.179 |
56 |
64 |
|
J |
3 |
2 |
32280 |
x |
J |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
32280 |
25.4 |
-2.4 |
0.275 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
[CL]E:202 |
1 |
1 |
125 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
4 |
7701 |
23.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.005 |
58 |
66 |
|
H |
2 |
1 |
7912 |
◊ |
J |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
32280 |
22.8 |
-1.6 |
0.205 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[CL]E:202 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
7662 |
21.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
60 |
68 |
|
I |
4 |
2 |
32383 |
◊ |
J |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
2 |
32280 |
19.5 |
-1.9 |
0.345 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[CL]E:202 |
1 |
1 |
125 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
8447 |
19.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
62 |
70 |
|
J |
2 |
2 |
32280 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
3 |
8796 |
17.1 |
-0.7 |
0.439 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
J |
3 |
1 |
32280 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
32383 |
16.5 |
-1.6 |
0.350 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
[CL]J:301 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7912 |
14.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.065 |
65 |
73 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
7662 |
14.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
66 |
74 |
|
[MN]G:201 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32383 |
13.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.021 |
67 |
75 |
|
[MN]I:202 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
1 |
1 |
32383 |
12.3 |
-1.3 |
0.000 |
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0 |
0 |
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68 |
76 |
|
[CL]J:302 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32383 |
10.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
69 |
77 |
|
I |
1 |
1 |
32383 |
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G |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
9067 |
10.3 |
-0.3 |
0.370 |
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0 |
0 |
0.000 |
70 |
78 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
8447 |
9.9 |
-0.3 |
0.000 |
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0 |
0 |
0.000 |
71 |
79 |
|
J |
4 |
2 |
32280 |
◊ |
I |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
3 |
32383 |
9.0 |
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0.459 |
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0.000 |
72 |
80 |
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I |
1 |
1 |
32383 |
◊ |
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-x+1,y-1/2,-z-1/2 |
3_644 |
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1 |
7100 |
8.8 |
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0 |
0.000 |
73 |
81 |
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H |
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1 |
7912 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8796 |
8.7 |
0.2 |
0.526 |
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74 |
82 |
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I |
1 |
1 |
32383 |
◊ |
J |
x-1,y,z |
1_455 |
2 |
1 |
32280 |
8.0 |
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0.339 |
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83 |
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J |
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1 |
32280 |
◊ |
C |
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3_544 |
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1 |
8447 |
6.1 |
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84 |
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[CL]I:203 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32280 |
4.7 |
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0.000 |
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85 |
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[MN]I:202 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8447 |
4.1 |
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86 |
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I |
2 |
2 |
32383 |
◊ |
J |
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4_445 |
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32280 |
2.6 |
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87 |
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[CL]I:204 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32280 |
1.0 |
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0.000 |
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88 |
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1 |
8778 |
◊ |
I |
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4_444 |
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1 |
32383 |
0.6 |
0.0 |
0.501 |
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0 |
0 |
0.000 |
|