| ## |
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 |
|
H |
56 |
9 |
1561 |
◊ |
G |
x,y,z |
1_555 |
99 |
23 |
4352 |
727.4 |
-8.0 |
0.564 |
14 |
2 |
0 |
0.514 |
2 |
|
D |
54 |
8 |
1451 |
◊ |
C |
x,y,z |
1_555 |
95 |
23 |
4524 |
721.7 |
-7.8 |
0.568 |
15 |
2 |
0 |
0.514 |
3 |
|
F |
54 |
8 |
1446 |
◊ |
E |
x,y,z |
1_555 |
98 |
23 |
4644 |
705.9 |
-7.9 |
0.564 |
15 |
2 |
0 |
0.514 |
4 |
|
J |
52 |
8 |
1440 |
◊ |
I |
x,y,z |
1_555 |
98 |
23 |
4570 |
694.9 |
-7.6 |
0.527 |
14 |
2 |
0 |
0.514 |
5 |
|
B |
54 |
8 |
1452 |
◊ |
A |
x,y,z |
1_555 |
95 |
22 |
4294 |
693.4 |
-7.7 |
0.606 |
15 |
2 |
0 |
0.514 |
6 |
|
L |
54 |
8 |
1447 |
◊ |
K |
x,y,z |
1_555 |
96 |
23 |
4268 |
692.7 |
-8.1 |
0.631 |
15 |
2 |
0 |
0.514 |
| Average: |
706.0 |
-7.9 |
0.577 |
15 |
2 |
0 |
0.514 |
| 2 |
7 |
|
E |
50 |
16 |
4644 |
◊ |
G |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
47 |
17 |
4352 |
455.4 |
-2.3 |
0.658 |
8 |
7 |
0 |
0.017 |
8 |
|
K |
45 |
16 |
4268 |
◊ |
I |
x,y,z |
1_555 |
46 |
15 |
4570 |
432.8 |
-4.2 |
0.439 |
6 |
7 |
0 |
0.017 |
9 |
|
C |
44 |
15 |
4524 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
4294 |
430.9 |
-3.7 |
0.460 |
6 |
7 |
0 |
0.017 |
| Average: |
439.7 |
-3.4 |
0.519 |
7 |
7 |
0 |
0.017 |
| 3 |
10 |
|
G |
20 |
6 |
4352 |
◊ |
E |
x,y,z |
1_555 |
21 |
6 |
4644 |
182.7 |
-1.2 |
0.549 |
1 |
0 |
0 |
0.011 |
11 |
|
I |
22 |
6 |
4570 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
4294 |
169.7 |
-0.9 |
0.621 |
0 |
0 |
0 |
0.011 |
| Average: |
176.2 |
-1.0 |
0.585 |
1 |
0 |
0 |
0.011 |
| 4 |
12 |
|
K |
23 |
5 |
4268 |
◊ |
C |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
23 |
5 |
4524 |
175.0 |
-1.6 |
0.586 |
1 |
0 |
0 |
0.028 |
13 |
|
E |
21 |
5 |
4644 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
4294 |
161.6 |
-1.8 |
0.521 |
0 |
0 |
0 |
0.028 |
14 |
|
I |
22 |
5 |
4570 |
◊ |
G |
x,y,z |
1_555 |
21 |
5 |
4352 |
155.6 |
-1.6 |
0.492 |
0 |
0 |
0 |
0.028 |
| Average: |
164.1 |
-1.7 |
0.533 |
0 |
0 |
0 |
0.028 |
| 5 |
15 |
|
L |
12 |
4 |
1447 |
◊ |
D |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
13 |
4 |
1451 |
141.4 |
-1.7 |
0.541 |
5 |
0 |
0 |
0.327 |
16 |
|
F |
12 |
4 |
1446 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
1452 |
134.4 |
-1.5 |
0.549 |
5 |
0 |
0 |
0.327 |
17 |
|
J |
12 |
4 |
1440 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
1561 |
133.6 |
-1.6 |
0.550 |
5 |
0 |
0 |
0.327 |
| Average: |
136.5 |
-1.6 |
0.547 |
5 |
0 |
0 |
0.327 |
| 6 |
18 |
|
E |
14 |
6 |
4644 |
x |
E |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
15 |
5 |
4644 |
137.4 |
-0.0 |
0.697 |
5 |
0 |
0 |
0.000 |
19 |
|
I |
19 |
6 |
4570 |
x |
C |
x,y,z |
1_555 |
13 |
5 |
4524 |
132.0 |
-0.9 |
0.519 |
6 |
0 |
0 |
0.000 |
| Average: |
134.7 |
-0.5 |
0.608 |
6 |
0 |
0 |
0.000 |
| 7 |
20 |
|
[UNX]E:106 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
4644 |
79.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.073 |
| 8 |
21 |
|
[UNX]I:103 |
1 |
1 |
129 |
f |
I |
x,y,z |
1_555 |
12 |
6 |
4570 |
71.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.104 |
22 |
|
[UNX]E:105 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
4644 |
69.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
70.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.104 |
| 9 |
23 |
|
[UNX]G:102 |
1 |
1 |
129 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
4352 |
71.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.107 |
24 |
|
[UNX]A:104 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
4294 |
70.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.107 |
25 |
|
[UNX]E:113 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
4644 |
54.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.107 |
26 |
|
[UNX]G:103 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
4644 |
39.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
59.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.107 |
| 10 |
27 |
|
[UNX]E:109 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
4644 |
64.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.065 |
| 11 |
28 |
|
[UNX]E:102 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
4644 |
63.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.050 |
| 12 |
29 |
|
[UNX]E:110 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
4644 |
62.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.055 |
| 13 |
30 |
|
[UNX]E:112 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
4644 |
61.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
| 14 |
31 |
|
F |
5 |
3 |
1446 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
4294 |
60.6 |
-0.4 |
0.590 |
1 |
0 |
0 |
0.031 |
32 |
|
K |
9 |
3 |
4268 |
◊ |
D |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
5 |
3 |
1451 |
59.4 |
-0.6 |
0.566 |
1 |
0 |
0 |
0.031 |
33 |
|
L |
6 |
3 |
1447 |
◊ |
C |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
9 |
3 |
4524 |
57.6 |
-0.8 |
0.521 |
1 |
0 |
0 |
0.031 |
34 |
|
J |
6 |
3 |
1440 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
4352 |
51.4 |
-0.4 |
0.586 |
1 |
0 |
0 |
0.031 |
35 |
|
H |
4 |
3 |
1561 |
◊ |
I |
x,y,z |
1_555 |
9 |
3 |
4570 |
48.8 |
-0.8 |
0.448 |
1 |
0 |
0 |
0.031 |
36 |
|
B |
5 |
3 |
1452 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
4644 |
46.6 |
-0.8 |
0.511 |
1 |
0 |
0 |
0.031 |
| Average: |
54.1 |
-0.6 |
0.537 |
1 |
0 |
0 |
0.031 |
| 15 |
37 |
|
I |
6 |
2 |
4570 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
4644 |
60.4 |
-1.3 |
0.294 |
0 |
0 |
0 |
0.005 |
| 16 |
38 |
|
[NI]A:101 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
4294 |
59.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.361 |
39 |
|
[NI]G:101 |
1 |
1 |
115 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
4352 |
58.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.361 |
40 |
|
[NI]C:101 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
4524 |
58.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.361 |
41 |
|
[NI]K:101 |
1 |
1 |
115 |
f |
K |
x,y,z |
1_555 |
6 |
4 |
4268 |
58.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.361 |
42 |
|
[NI]E:101 |
1 |
1 |
115 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
4644 |
50.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.361 |
43 |
|
[NI]I:101 |
1 |
1 |
115 |
f |
I |
x,y,z |
1_555 |
7 |
4 |
4570 |
50.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.361 |
| Average: |
56.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.361 |
| 17 |
44 |
|
[UNX]A:102 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
4294 |
56.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.036 |
45 |
|
[UNX]G:103 |
1 |
1 |
129 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
4352 |
48.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.036 |
46 |
|
[UNX]E:113 |
1 |
1 |
129 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
4352 |
37.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
47.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| 18 |
47 |
|
[ACE]F:20 |
3 |
1 |
172 |
cf |
F |
x,y,z |
1_555 |
4 |
2 |
1446 |
56.2 |
-0.2 |
0.818 |
1 |
0 |
0 |
0.100 |
| 19 |
48 |
|
[ACE]D:20 |
3 |
1 |
173 |
cf |
D |
x,y,z |
1_555 |
4 |
2 |
1451 |
55.9 |
-0.3 |
0.813 |
1 |
0 |
0 |
0.100 |
| 20 |
49 |
|
[UNX]I:102 |
1 |
1 |
129 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
4570 |
55.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.065 |
50 |
|
[UNX]E:107 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
4644 |
53.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
54.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.065 |
| 21 |
51 |
|
[UNX]J:102 |
1 |
1 |
129 |
f |
J |
x,y,z |
1_555 |
7 |
2 |
1440 |
54.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.291 |
| 22 |
52 |
|
[ACE]L:20 |
3 |
1 |
172 |
cf |
L |
x,y,z |
1_555 |
4 |
2 |
1447 |
53.0 |
-0.2 |
0.813 |
1 |
0 |
0 |
0.100 |
53 |
|
[ACE]B:20 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
4 |
2 |
1452 |
38.3 |
-0.2 |
0.818 |
1 |
0 |
0 |
0.100 |
| Average: |
45.7 |
-0.2 |
0.816 |
1 |
0 |
0 |
0.100 |
| 23 |
54 |
|
[UNX]A:103 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
4294 |
52.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.126 |
55 |
|
[UNX]H:101 |
1 |
1 |
129 |
f |
G |
x,y,z |
1_555 |
8 |
2 |
4352 |
48.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.126 |
56 |
|
[UNX]B:102 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
4294 |
40.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.126 |
| Average: |
47.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.126 |
| 24 |
57 |
|
[UNX]K:102 |
1 |
1 |
129 |
f |
K |
x,y,z |
1_555 |
9 |
3 |
4268 |
51.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.107 |
| 25 |
58 |
|
[UNX]E:103 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
4644 |
51.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.040 |
| 26 |
59 |
|
[UNX]G:105 |
1 |
1 |
129 |
f |
G |
x,y,z |
1_555 |
12 |
5 |
4352 |
49.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.073 |
| 27 |
60 |
|
[ACE]J:20 |
3 |
1 |
171 |
cf |
J |
x,y,z |
1_555 |
5 |
2 |
1440 |
47.6 |
-0.2 |
0.809 |
1 |
0 |
0 |
0.110 |
61 |
|
[ACE]H:20 |
3 |
1 |
172 |
cf |
H |
x,y,z |
1_555 |
4 |
2 |
1561 |
45.7 |
-0.2 |
0.828 |
1 |
0 |
0 |
0.110 |
| Average: |
46.6 |
-0.2 |
0.819 |
1 |
0 |
0 |
0.110 |
| 28 |
62 |
|
[UNX]K:102 |
1 |
1 |
129 |
◊ |
C |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
7 |
3 |
4524 |
46.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.044 |
| 29 |
63 |
|
[UNX]J:101 |
1 |
1 |
129 |
f |
I |
x,y,z |
1_555 |
9 |
2 |
4570 |
46.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.058 |
| 30 |
64 |
|
L |
5 |
2 |
1447 |
◊ |
[ACE]D:20 |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
3 |
1 |
173 |
45.4 |
-0.7 |
0.729 |
0 |
0 |
0 |
0.018 |
65 |
|
[ACE]L:20 |
3 |
1 |
172 |
◊ |
D |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
6 |
2 |
1451 |
44.3 |
-0.5 |
0.734 |
0 |
0 |
0 |
0.018 |
66 |
|
[ACE]B:20 |
3 |
1 |
172 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
1446 |
33.1 |
-0.4 |
0.732 |
0 |
0 |
0 |
0.018 |
| Average: |
40.9 |
-0.5 |
0.732 |
0 |
0 |
0 |
0.018 |
| 31 |
67 |
|
[ACE]F:20 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
1452 |
45.3 |
-0.6 |
0.731 |
0 |
0 |
0 |
0.005 |
| 32 |
68 |
|
[UNX]A:102 |
1 |
1 |
129 |
f |
I |
x,y,z |
1_555 |
7 |
2 |
4570 |
44.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.059 |
| 33 |
69 |
|
[ACE]J:20 |
3 |
1 |
171 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
1561 |
43.9 |
-0.5 |
0.752 |
0 |
0 |
0 |
0.076 |
70 |
|
[ACE]H:20 |
3 |
1 |
172 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
1440 |
40.1 |
-0.4 |
0.750 |
0 |
0 |
0 |
0.076 |
| Average: |
42.0 |
-0.4 |
0.751 |
0 |
0 |
0 |
0.076 |
| 34 |
71 |
|
[UNX]A:105 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
4294 |
43.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
72 |
|
[UNX]E:108 |
1 |
1 |
129 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
4352 |
41.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
42.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 35 |
73 |
|
[UNX]E:108 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
4644 |
39.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.043 |
74 |
|
[UNX]A:105 |
1 |
1 |
129 |
f |
I |
x,y,z |
1_555 |
7 |
2 |
4570 |
38.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
39.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.043 |
| 36 |
75 |
|
[UNX]E:111 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
4644 |
39.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.076 |
76 |
|
[UNX]C:102 |
1 |
1 |
129 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
4524 |
38.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
39.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.076 |
| 37 |
77 |
|
[UNX]E:104 |
1 |
1 |
129 |
f |
E |
x,y,z |
1_555 |
8 |
6 |
4644 |
39.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.026 |
| 38 |
78 |
|
[UNX]G:104 |
1 |
1 |
129 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
4352 |
35.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.052 |
| 39 |
79 |
|
G |
8 |
5 |
4352 |
◊ |
E |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
7 |
4 |
4644 |
33.5 |
1.1 |
0.849 |
0 |
0 |
0 |
0.000 |
80 |
|
K |
1 |
1 |
4268 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4524 |
1.0 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
| Average: |
17.3 |
0.5 |
0.729 |
0 |
0 |
0 |
0.000 |
| 40 |
81 |
|
G |
5 |
2 |
4352 |
x |
A |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
2 |
1 |
4294 |
31.8 |
0.7 |
0.821 |
1 |
0 |
0 |
0.000 |
82 |
|
K |
2 |
1 |
4268 |
x |
K |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
5 |
2 |
4268 |
29.9 |
0.8 |
0.831 |
1 |
0 |
0 |
0.000 |
| Average: |
30.9 |
0.8 |
0.826 |
1 |
0 |
0 |
0.000 |
| 41 |
83 |
|
[UNX]E:104 |
1 |
1 |
129 |
f |
[UNX]E:103 |
x,y,z |
1_555 |
1 |
1 |
129 |
31.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.036 |
| 42 |
84 |
|
[UNX]B:101 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
1452 |
30.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.047 |
| 43 |
85 |
|
[UNX]G:104 |
1 |
1 |
129 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
1440 |
30.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
86 |
|
[UNX]G:105 |
1 |
1 |
129 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
1440 |
17.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
23.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 44 |
87 |
|
[UNX]E:111 |
1 |
1 |
129 |
◊ |
E |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
3 |
2 |
4644 |
29.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
88 |
|
[UNX]C:102 |
1 |
1 |
129 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
4570 |
26.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
28.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
89 |
|
[UNX]H:101 |
1 |
1 |
129 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
1561 |
28.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.036 |
90 |
|
[UNX]J:101 |
1 |
1 |
129 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
1440 |
28.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.036 |
91 |
|
[UNX]B:102 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
1452 |
22.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
26.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.036 |
| 46 |
92 |
|
[UNX]B:101 |
1 |
1 |
129 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
1446 |
27.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| 47 |
93 |
|
[ACE]B:20 |
3 |
1 |
172 |
f |
[UNX]B:101 |
x,y,z |
1_555 |
1 |
1 |
129 |
27.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.039 |
| 48 |
94 |
|
[ACE]F:20 |
2 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
4294 |
26.9 |
-0.3 |
0.832 |
0 |
0 |
0 |
0.003 |
95 |
|
K |
4 |
2 |
4268 |
◊ |
[ACE]D:20 |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
2 |
1 |
173 |
25.8 |
-0.2 |
0.853 |
0 |
0 |
0 |
0.003 |
| Average: |
26.4 |
-0.2 |
0.842 |
0 |
0 |
0 |
0.003 |
| 49 |
96 |
|
[ACE]D:20 |
3 |
1 |
173 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4524 |
26.6 |
-0.4 |
0.631 |
0 |
0 |
0 |
0.015 |
| 50 |
97 |
|
[ACE]L:20 |
2 |
1 |
172 |
◊ |
C |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
4 |
2 |
4524 |
26.5 |
-0.2 |
0.832 |
0 |
0 |
0 |
0.003 |
98 |
|
[ACE]B:20 |
2 |
1 |
172 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
4644 |
19.2 |
-0.1 |
0.833 |
0 |
0 |
0 |
0.003 |
| Average: |
22.9 |
-0.2 |
0.833 |
0 |
0 |
0 |
0.003 |
| 51 |
99 |
|
[ACE]F:20 |
3 |
1 |
172 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
4644 |
26.5 |
-0.4 |
0.616 |
0 |
0 |
0 |
0.004 |
| 52 |
100 |
|
[ACE]L:20 |
3 |
1 |
172 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
4268 |
26.5 |
-0.4 |
0.641 |
0 |
0 |
0 |
0.014 |
101 |
|
[ACE]B:20 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4294 |
22.0 |
-0.3 |
0.626 |
0 |
0 |
0 |
0.014 |
| Average: |
24.2 |
-0.4 |
0.634 |
0 |
0 |
0 |
0.014 |
| 53 |
102 |
|
[UNX]G:105 |
1 |
1 |
129 |
f |
[UNX]G:104 |
x,y,z |
1_555 |
1 |
1 |
129 |
26.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.058 |
| 54 |
103 |
|
G |
4 |
1 |
4352 |
◊ |
[UNX]E:103 |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
1 |
1 |
129 |
26.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
104 |
|
[ACE]H:20 |
3 |
1 |
172 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
4352 |
26.1 |
-0.3 |
0.622 |
0 |
0 |
0 |
0.007 |
105 |
|
[ACE]J:20 |
3 |
1 |
171 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
4570 |
24.3 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.007 |
| Average: |
25.2 |
-0.4 |
0.620 |
0 |
0 |
0 |
0.007 |
| 56 |
106 |
|
[UNX]G:104 |
1 |
1 |
129 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
4570 |
26.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
107 |
|
[UNX]G:105 |
1 |
1 |
129 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
4570 |
22.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
24.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.029 |
| 57 |
108 |
|
[UNX]J:102 |
1 |
1 |
129 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
1561 |
25.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.141 |
| 58 |
109 |
|
[UNX]B:102 |
1 |
1 |
129 |
f |
[UNX]A:103 |
x,y,z |
1_555 |
1 |
1 |
129 |
25.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.053 |
| 59 |
110 |
|
[UNX]A:105 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
1452 |
24.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
111 |
|
[UNX]E:108 |
1 |
1 |
129 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
1561 |
24.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
24.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 60 |
112 |
|
[UNX]G:103 |
1 |
1 |
129 |
f |
[UNX]E:113 |
x,y,z |
1_555 |
1 |
1 |
129 |
24.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| 61 |
113 |
|
[ACE]J:20 |
2 |
1 |
171 |
◊ |
[UNX]J:101 |
x,y,z |
1_555 |
1 |
1 |
129 |
23.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
114 |
|
[ACE]H:20 |
3 |
1 |
172 |
◊ |
[UNX]H:101 |
x,y,z |
1_555 |
1 |
1 |
129 |
22.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
22.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
| 62 |
115 |
|
[UNX]E:107 |
1 |
1 |
129 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
4570 |
23.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
116 |
|
[UNX]I:102 |
1 |
1 |
129 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
4644 |
15.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
19.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 63 |
117 |
|
G |
3 |
1 |
4352 |
◊ |
[UNX]A:103 |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
1 |
1 |
129 |
22.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
118 |
|
G |
3 |
1 |
4352 |
◊ |
[UNX]B:102 |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
1 |
1 |
129 |
16.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
19.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 64 |
119 |
|
G |
4 |
2 |
4352 |
◊ |
[UNX]E:104 |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
1 |
1 |
129 |
22.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 65 |
120 |
|
[ACE]H:20 |
2 |
1 |
172 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
4570 |
22.2 |
-0.2 |
0.829 |
0 |
0 |
0 |
0.002 |
| 66 |
121 |
|
[UNX]B:101 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
4294 |
21.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| 67 |
122 |
|
[ACE]J:20 |
2 |
1 |
171 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
4352 |
21.3 |
-0.3 |
0.823 |
0 |
0 |
0 |
0.002 |
| 68 |
123 |
|
[UNX]C:102 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
4294 |
21.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.002 |
124 |
|
[UNX]E:111 |
1 |
1 |
129 |
◊ |
G |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
2 |
4352 |
17.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
19.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.002 |
| 69 |
125 |
|
[ACE]B:20 |
1 |
1 |
172 |
◊ |
[UNX]E:104 |
x,y,z |
1_555 |
1 |
1 |
129 |
17.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 70 |
126 |
|
[UNX]J:102 |
1 |
1 |
129 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
4570 |
17.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
| 71 |
127 |
|
[UNX]H:101 |
1 |
1 |
129 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
4570 |
17.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
128 |
|
[UNX]J:101 |
1 |
1 |
129 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
4352 |
14.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
129 |
|
[UNX]B:102 |
1 |
1 |
129 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
4644 |
11.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
14.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.013 |
| 72 |
130 |
|
G |
5 |
3 |
4352 |
◊ |
[ACE]B:20 |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
1 |
1 |
172 |
17.0 |
-0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
131 |
|
[ACE]L:20 |
1 |
1 |
172 |
◊ |
K |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
3 |
2 |
4268 |
12.6 |
-0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
| Average: |
14.8 |
-0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
| 73 |
132 |
|
[UNX]E:104 |
1 |
1 |
129 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
1446 |
16.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 74 |
133 |
|
[ACE]B:20 |
3 |
1 |
172 |
◊ |
[UNX]B:102 |
x,y,z |
1_555 |
1 |
1 |
129 |
16.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.024 |
| 75 |
134 |
|
[UNX]I:102 |
1 |
1 |
129 |
f |
[NI]I:101 |
x,y,z |
1_555 |
1 |
1 |
115 |
15.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.043 |
| 76 |
135 |
|
[UNX]E:110 |
1 |
1 |
129 |
◊ |
E |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
1 |
4644 |
15.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 77 |
136 |
|
[UNX]E:112 |
1 |
1 |
129 |
f |
[UNX]E:102 |
x,y,z |
1_555 |
1 |
1 |
129 |
14.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| 78 |
137 |
|
[ACE]H:20 |
2 |
1 |
172 |
◊ |
[UNX]J:102 |
x,y,z |
1_555 |
1 |
1 |
129 |
13.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.054 |
| 79 |
138 |
|
[UNX]E:109 |
1 |
1 |
129 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
1446 |
13.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 80 |
139 |
|
[UNX]E:108 |
1 |
1 |
129 |
f |
[NI]E:101 |
x,y,z |
1_555 |
1 |
1 |
115 |
13.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| 81 |
140 |
|
[UNX]E:112 |
1 |
1 |
129 |
◊ |
E |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
1 |
4644 |
11.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 82 |
141 |
|
[UNX]A:105 |
1 |
1 |
129 |
f |
[NI]I:101 |
x,y,z |
1_555 |
1 |
1 |
115 |
11.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
| 83 |
142 |
|
G |
1 |
1 |
4352 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4294 |
10.9 |
-0.3 |
0.252 |
0 |
0 |
0 |
0.001 |
| 84 |
143 |
|
[UNX]E:107 |
1 |
1 |
129 |
f |
[NI]E:101 |
x,y,z |
1_555 |
1 |
1 |
115 |
9.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| 85 |
144 |
|
[UNX]E:111 |
1 |
1 |
129 |
◊ |
H |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
1 |
1561 |
7.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 86 |
145 |
|
[UNX]A:103 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1452 |
6.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 87 |
146 |
|
G |
2 |
2 |
4352 |
◊ |
[UNX]B:101 |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
1 |
1 |
129 |
6.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 88 |
147 |
|
[UNX]E:104 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1452 |
5.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 89 |
148 |
|
H |
2 |
1 |
1561 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
4644 |
4.6 |
-0.1 |
0.575 |
0 |
0 |
0 |
0.001 |
| 90 |
149 |
|
[UNX]K:102 |
1 |
1 |
129 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
1447 |
4.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 91 |
150 |
|
[UNX]E:109 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4294 |
3.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 92 |
151 |
|
[NI]E:101 |
1 |
1 |
115 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
4352 |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
152 |
|
[NI]I:101 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
4294 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 93 |
153 |
|
[UNX]I:102 |
1 |
1 |
129 |
f |
[UNX]A:105 |
x,y,z |
1_555 |
1 |
1 |
129 |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 94 |
154 |
|
[NI]C:101 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
1451 |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
155 |
|
[NI]G:101 |
1 |
1 |
115 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
1561 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.009 |
156 |
|
[NI]A:101 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1452 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.009 |
157 |
|
[NI]I:101 |
1 |
1 |
115 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
1440 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.009 |
158 |
|
[NI]E:101 |
1 |
1 |
115 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
1446 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| 95 |
159 |
|
[UNX]E:102 |
1 |
1 |
129 |
◊ |
E |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
4644 |
1.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 96 |
160 |
|
G |
1 |
1 |
4352 |
◊ |
F |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
1 |
1 |
1446 |
1.0 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 97 |
161 |
|
[UNX]B:102 |
1 |
1 |
129 |
◊ |
[UNX]B:101 |
x,y,z |
1_555 |
1 |
1 |
129 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|