## |
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 |
|
L |
78 |
17 |
2923 |
◊ |
K |
x,y,z |
1_555 |
64 |
18 |
3084 |
709.7 |
-12.9 |
0.506 |
2 |
2 |
0 |
0.964 |
2 |
|
J |
62 |
18 |
2795 |
◊ |
H |
x,y,z |
1_555 |
75 |
17 |
3053 |
687.1 |
-12.6 |
0.563 |
1 |
6 |
0 |
0.964 |
3 |
|
G |
67 |
17 |
3011 |
◊ |
B |
x,y,z |
1_555 |
58 |
17 |
2771 |
679.7 |
-13.7 |
0.467 |
1 |
2 |
0 |
0.964 |
4 |
|
M |
56 |
16 |
2831 |
◊ |
K |
x,y,z |
1_555 |
63 |
16 |
3084 |
663.0 |
-11.2 |
0.563 |
2 |
2 |
0 |
0.964 |
5 |
|
M |
73 |
18 |
2831 |
◊ |
I |
x,y,z |
1_555 |
67 |
16 |
2781 |
659.0 |
-13.9 |
0.523 |
0 |
0 |
0 |
0.964 |
6 |
|
L |
57 |
16 |
2923 |
◊ |
J |
x,y,z |
1_555 |
70 |
16 |
2795 |
658.0 |
-12.6 |
0.507 |
4 |
3 |
0 |
0.964 |
7 |
|
F |
63 |
17 |
2912 |
◊ |
E |
x,y,z |
1_555 |
67 |
18 |
3049 |
657.5 |
-14.1 |
0.407 |
1 |
1 |
0 |
0.964 |
8 |
|
C |
66 |
16 |
2901 |
◊ |
A |
x,y,z |
1_555 |
68 |
18 |
3002 |
651.2 |
-13.7 |
0.482 |
0 |
1 |
0 |
0.964 |
9 |
|
G |
55 |
15 |
3011 |
◊ |
E |
x,y,z |
1_555 |
65 |
16 |
3049 |
648.5 |
-11.2 |
0.567 |
2 |
2 |
0 |
0.964 |
10 |
|
I |
62 |
16 |
2781 |
◊ |
H |
x,y,z |
1_555 |
59 |
16 |
3053 |
647.9 |
-12.7 |
0.413 |
1 |
1 |
0 |
0.964 |
11 |
|
B |
62 |
16 |
2771 |
◊ |
A |
x,y,z |
1_555 |
56 |
15 |
3002 |
621.9 |
-12.9 |
0.448 |
0 |
1 |
0 |
0.964 |
12 |
|
F |
60 |
15 |
2912 |
◊ |
C |
x,y,z |
1_555 |
71 |
16 |
2901 |
619.1 |
-12.6 |
0.536 |
2 |
3 |
0 |
0.964 |
Average: |
658.6 |
-12.8 |
0.499 |
1 |
2 |
0 |
0.964 |
2 |
13 |
|
H |
30 |
6 |
3053 |
◊ |
E |
x,y,z |
1_555 |
25 |
6 |
3049 |
249.5 |
-5.0 |
0.530 |
2 |
0 |
0 |
0.000 |
14 |
|
K |
23 |
7 |
3084 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
6 |
3002 |
227.0 |
-3.7 |
0.594 |
2 |
0 |
0 |
0.000 |
Average: |
238.3 |
-4.4 |
0.562 |
2 |
0 |
0 |
0.000 |
3 |
15 |
|
L |
19 |
5 |
2923 |
◊ |
G |
-x-1,-y,z |
2_455 |
19 |
4 |
3011 |
210.7 |
-1.7 |
0.736 |
0 |
0 |
0 |
0.000 |
16 |
|
M |
13 |
3 |
2831 |
◊ |
F |
-x-1,-y+1,z |
2_465 |
11 |
3 |
2912 |
112.4 |
-1.7 |
0.624 |
0 |
0 |
0 |
0.000 |
Average: |
161.6 |
-1.7 |
0.680 |
0 |
0 |
0 |
0.000 |
4 |
17 |
|
J |
14 |
3 |
2795 |
◊ |
E |
-x-1,-y,z |
2_455 |
22 |
4 |
3049 |
175.4 |
-1.8 |
0.643 |
0 |
0 |
0 |
0.000 |
18 |
|
K |
19 |
4 |
3084 |
◊ |
C |
-x-1,-y+1,z |
2_465 |
16 |
3 |
2901 |
164.2 |
-1.5 |
0.630 |
0 |
0 |
0 |
0.000 |
Average: |
169.8 |
-1.6 |
0.636 |
0 |
0 |
0 |
0.000 |
5 |
19 |
|
I |
15 |
3 |
2781 |
◊ |
F |
x,y,z |
1_555 |
18 |
4 |
2912 |
168.9 |
-1.1 |
0.751 |
2 |
0 |
0 |
0.000 |
20 |
|
L |
19 |
4 |
2923 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
3 |
2771 |
149.0 |
-2.4 |
0.607 |
0 |
0 |
0 |
0.000 |
Average: |
159.0 |
-1.7 |
0.679 |
1 |
0 |
0 |
0.000 |
6 |
21 |
|
C |
16 |
4 |
2901 |
◊ |
A |
-x,-y+1,z |
2_565 |
11 |
4 |
3002 |
114.3 |
-0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
22 |
|
J |
13 |
4 |
2795 |
◊ |
H |
-x-1,-y,z |
2_455 |
11 |
4 |
3053 |
106.3 |
-1.3 |
0.659 |
0 |
0 |
0 |
0.000 |
Average: |
110.3 |
-0.7 |
0.713 |
0 |
0 |
0 |
0.000 |
7 |
23 |
|
C |
11 |
5 |
2901 |
◊ |
C |
-x,-y+1,z |
2_565 |
11 |
5 |
2901 |
105.3 |
0.5 |
0.839 |
0 |
0 |
0 |
0.000 |
24 |
|
J |
6 |
2 |
2795 |
◊ |
J |
-x-1,-y,z |
2_455 |
6 |
2 |
2795 |
81.4 |
-1.0 |
0.604 |
0 |
0 |
0 |
0.000 |
Average: |
93.3 |
-0.3 |
0.721 |
0 |
0 |
0 |
0.000 |
8 |
25 |
|
E |
12 |
4 |
3049 |
◊ |
I |
-y,x+1,z+1/2 |
3_565 |
10 |
4 |
2781 |
84.7 |
-1.6 |
0.572 |
0 |
0 |
0 |
0.044 |
26 |
|
F |
9 |
3 |
2912 |
◊ |
H |
-y,x+1,z+1/2 |
3_565 |
9 |
3 |
3053 |
81.7 |
-1.7 |
0.484 |
0 |
0 |
0 |
0.044 |
27 |
|
B |
9 |
4 |
2771 |
◊ |
K |
-y,x+1,z+1/2 |
3_565 |
10 |
4 |
3084 |
75.0 |
-1.7 |
0.536 |
0 |
0 |
0 |
0.044 |
28 |
|
A |
9 |
3 |
3002 |
◊ |
L |
-y,x+1,z+1/2 |
3_565 |
9 |
3 |
2923 |
73.4 |
-1.3 |
0.565 |
0 |
0 |
0 |
0.044 |
29 |
|
C |
10 |
3 |
2901 |
◊ |
J |
-y,x+1,z+1/2 |
3_565 |
9 |
4 |
2795 |
70.1 |
-1.0 |
0.641 |
0 |
0 |
0 |
0.044 |
30 |
|
G |
8 |
4 |
3011 |
◊ |
M |
-y,x+1,z+1/2 |
3_565 |
9 |
4 |
2831 |
58.2 |
-1.4 |
0.585 |
0 |
0 |
0 |
0.044 |
Average: |
73.8 |
-1.4 |
0.564 |
0 |
0 |
0 |
0.044 |
9 |
31 |
|
A |
10 |
3 |
3002 |
◊ |
K |
-y,x+1,z+1/2 |
3_565 |
8 |
3 |
3084 |
75.6 |
0.3 |
0.814 |
3 |
0 |
0 |
0.017 |
32 |
|
E |
9 |
3 |
3049 |
◊ |
H |
-y,x+1,z+1/2 |
3_565 |
12 |
3 |
3053 |
75.3 |
0.3 |
0.821 |
3 |
0 |
0 |
0.017 |
33 |
|
C |
9 |
3 |
2901 |
◊ |
L |
-y,x+1,z+1/2 |
3_565 |
11 |
3 |
2923 |
67.8 |
0.2 |
0.811 |
2 |
0 |
0 |
0.017 |
34 |
|
G |
6 |
3 |
3011 |
◊ |
I |
-y,x+1,z+1/2 |
3_565 |
5 |
2 |
2781 |
48.8 |
0.1 |
0.725 |
1 |
0 |
0 |
0.017 |
35 |
|
F |
3 |
1 |
2912 |
◊ |
J |
-y,x+1,z+1/2 |
3_565 |
5 |
3 |
2795 |
41.0 |
0.3 |
0.745 |
1 |
0 |
0 |
0.017 |
Average: |
61.7 |
0.2 |
0.783 |
2 |
0 |
0 |
0.017 |
10 |
36 |
|
[ACE]G:0 |
3 |
1 |
171 |
cf |
G |
x,y,z |
1_555 |
7 |
2 |
3011 |
72.5 |
-0.7 |
0.771 |
0 |
0 |
0 |
0.100 |
11 |
37 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
2771 |
72.2 |
-0.2 |
0.803 |
0 |
0 |
0 |
0.100 |
12 |
38 |
|
[ACE]M:0 |
3 |
1 |
172 |
cf |
M |
x,y,z |
1_555 |
8 |
2 |
2831 |
71.2 |
-0.8 |
0.766 |
0 |
0 |
0 |
0.100 |
39 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
3002 |
65.3 |
-0.5 |
0.786 |
0 |
0 |
0 |
0.100 |
Average: |
68.2 |
-0.7 |
0.776 |
0 |
0 |
0 |
0.100 |
13 |
40 |
|
M |
5 |
2 |
2831 |
◊ |
I |
-x-1,-y+1,z |
2_465 |
9 |
2 |
2781 |
70.7 |
-0.6 |
0.695 |
0 |
0 |
0 |
0.000 |
41 |
|
G |
5 |
2 |
3011 |
◊ |
B |
-x,-y,z |
2_555 |
7 |
3 |
2771 |
62.1 |
-0.4 |
0.718 |
0 |
0 |
0 |
0.000 |
Average: |
66.4 |
-0.5 |
0.706 |
0 |
0 |
0 |
0.000 |
14 |
42 |
|
[ACE]K:0 |
3 |
1 |
172 |
cf |
K |
x,y,z |
1_555 |
7 |
2 |
3084 |
70.6 |
-0.6 |
0.782 |
0 |
0 |
0 |
0.100 |
15 |
43 |
|
[ACE]E:0 |
3 |
1 |
173 |
cf |
E |
x,y,z |
1_555 |
5 |
2 |
3049 |
63.4 |
-0.7 |
0.743 |
0 |
0 |
0 |
0.100 |
16 |
44 |
|
[ACE]H:0 |
3 |
1 |
171 |
cf |
H |
x,y,z |
1_555 |
5 |
2 |
3053 |
62.3 |
-0.8 |
0.744 |
0 |
0 |
0 |
0.100 |
17 |
45 |
|
J |
6 |
1 |
2795 |
◊ |
G |
-x-1,-y,z |
2_455 |
7 |
3 |
3011 |
61.9 |
0.7 |
0.823 |
1 |
2 |
0 |
0.000 |
46 |
|
M |
4 |
2 |
2831 |
◊ |
C |
-x-1,-y+1,z |
2_465 |
4 |
1 |
2901 |
44.9 |
0.9 |
0.872 |
1 |
2 |
0 |
0.000 |
Average: |
53.4 |
0.8 |
0.847 |
1 |
2 |
0 |
0.000 |
18 |
47 |
|
[ACE]F:0 |
3 |
1 |
171 |
cf |
F |
x,y,z |
1_555 |
6 |
2 |
2912 |
61.4 |
-0.8 |
0.747 |
0 |
0 |
0 |
0.100 |
19 |
48 |
|
[ACE]I:0 |
3 |
1 |
170 |
cf |
I |
x,y,z |
1_555 |
5 |
2 |
2781 |
60.0 |
-0.4 |
0.817 |
0 |
0 |
0 |
0.100 |
20 |
49 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
2901 |
59.9 |
-0.6 |
0.758 |
3 |
0 |
0 |
0.100 |
21 |
50 |
|
[ACE]L:0 |
3 |
1 |
171 |
cf |
L |
x,y,z |
1_555 |
7 |
2 |
2923 |
57.9 |
-0.9 |
0.739 |
0 |
0 |
0 |
0.100 |
22 |
51 |
|
[ACE]J:0 |
3 |
1 |
172 |
cf |
J |
x,y,z |
1_555 |
6 |
2 |
2795 |
51.4 |
-0.8 |
0.752 |
0 |
0 |
0 |
0.100 |
23 |
52 |
|
[ACE]F:0 |
3 |
1 |
171 |
◊ |
[ACE]H:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
171 |
41.3 |
-0.9 |
0.852 |
0 |
0 |
0 |
0.004 |
24 |
53 |
|
[ACE]E:0 |
3 |
1 |
173 |
◊ |
[ACE]I:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
170 |
39.5 |
-0.9 |
0.852 |
0 |
0 |
0 |
0.004 |
25 |
54 |
|
[ACE]G:0 |
3 |
1 |
171 |
◊ |
[ACE]M:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
172 |
37.6 |
-0.6 |
0.852 |
0 |
0 |
0 |
0.003 |
26 |
55 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
[ACE]K:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
172 |
37.3 |
-0.9 |
0.852 |
0 |
0 |
0 |
0.004 |
27 |
56 |
|
[ACE]A:0 |
3 |
1 |
172 |
◊ |
[ACE]L:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
171 |
36.2 |
-0.6 |
0.906 |
0 |
0 |
0 |
0.003 |
28 |
57 |
|
B |
2 |
1 |
2771 |
◊ |
[ACE]K:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
172 |
33.4 |
-0.2 |
0.778 |
0 |
0 |
0 |
0.000 |
29 |
58 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
[ACE]J:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
172 |
33.2 |
-1.0 |
0.852 |
0 |
0 |
0 |
0.005 |
30 |
59 |
|
[ACE]E:0 |
3 |
1 |
173 |
◊ |
I |
-y,x+1,z+1/2 |
3_565 |
2 |
1 |
2781 |
32.6 |
-0.1 |
0.801 |
0 |
0 |
0 |
0.000 |
60 |
|
[ACE]G:0 |
3 |
1 |
171 |
◊ |
M |
-y,x+1,z+1/2 |
3_565 |
2 |
1 |
2831 |
29.6 |
-0.0 |
0.783 |
0 |
0 |
0 |
0.000 |
61 |
|
[ACE]A:0 |
2 |
1 |
172 |
◊ |
L |
-y,x+1,z+1/2 |
3_565 |
2 |
1 |
2923 |
24.8 |
0.0 |
0.804 |
0 |
0 |
0 |
0.000 |
Average: |
29.0 |
-0.0 |
0.796 |
0 |
0 |
0 |
0.000 |
31 |
62 |
|
H |
3 |
1 |
3053 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
2912 |
32.0 |
0.4 |
0.842 |
1 |
1 |
0 |
0.000 |
63 |
|
L |
1 |
1 |
2923 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
3002 |
0.6 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
Average: |
16.3 |
0.2 |
0.777 |
1 |
1 |
0 |
0.000 |
32 |
64 |
|
A |
4 |
3 |
3002 |
◊ |
A |
-x,-y+1,z |
2_565 |
4 |
3 |
3002 |
31.0 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
65 |
|
H |
1 |
1 |
3053 |
◊ |
H |
-x-1,-y,z |
2_455 |
1 |
1 |
3053 |
16.2 |
1.2 |
0.952 |
0 |
0 |
0 |
0.000 |
Average: |
23.6 |
0.8 |
0.875 |
0 |
0 |
0 |
0.000 |
33 |
66 |
|
G |
1 |
1 |
3011 |
◊ |
K |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
3084 |
30.9 |
-1.0 |
0.155 |
0 |
0 |
0 |
0.026 |
67 |
|
E |
1 |
1 |
3049 |
◊ |
M |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
2831 |
27.2 |
-0.9 |
0.155 |
0 |
0 |
0 |
0.026 |
68 |
|
C |
1 |
1 |
2901 |
◊ |
H |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
3053 |
25.7 |
-0.8 |
0.155 |
0 |
0 |
0 |
0.026 |
69 |
|
A |
1 |
1 |
3002 |
◊ |
J |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
2795 |
24.9 |
-0.8 |
0.164 |
0 |
0 |
0 |
0.026 |
70 |
|
F |
1 |
1 |
2912 |
◊ |
I |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
2781 |
24.7 |
-0.8 |
0.176 |
0 |
0 |
0 |
0.026 |
71 |
|
B |
1 |
1 |
2771 |
◊ |
L |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
2923 |
24.3 |
-0.8 |
0.174 |
0 |
0 |
0 |
0.026 |
Average: |
26.3 |
-0.8 |
0.163 |
0 |
0 |
0 |
0.026 |
34 |
72 |
|
[BR]E:34 |
1 |
1 |
133 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
3049 |
30.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.152 |
73 |
|
[BR]K:34 |
1 |
1 |
133 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
3084 |
28.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.152 |
74 |
|
[BR]K:34 |
1 |
1 |
133 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
2923 |
27.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.152 |
75 |
|
[BR]E:34 |
1 |
1 |
133 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
2912 |
27.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.152 |
76 |
|
[BR]E:34 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
2901 |
26.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.152 |
77 |
|
[BR]K:34 |
1 |
1 |
133 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
2795 |
26.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.152 |
78 |
|
[BR]K:34 |
1 |
1 |
133 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
3053 |
24.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.152 |
79 |
|
[BR]E:34 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
3002 |
23.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.152 |
80 |
|
[BR]K:34 |
1 |
1 |
133 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
2781 |
19.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.152 |
81 |
|
[BR]E:34 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
2771 |
17.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.152 |
82 |
|
[BR]K:34 |
1 |
1 |
133 |
◊ |
M |
x,y,z |
1_555 |
3 |
2 |
2831 |
17.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.152 |
83 |
|
[BR]E:34 |
1 |
1 |
133 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
3011 |
16.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.152 |
Average: |
23.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.152 |
35 |
84 |
|
F |
2 |
1 |
2912 |
◊ |
[ACE]H:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
171 |
30.1 |
-0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
36 |
85 |
|
[ACE]F:0 |
3 |
1 |
171 |
◊ |
H |
-y,x+1,z+1/2 |
3_565 |
2 |
1 |
3053 |
29.8 |
-0.1 |
0.753 |
0 |
0 |
0 |
0.000 |
86 |
|
G |
2 |
1 |
3011 |
◊ |
[ACE]M:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
172 |
28.6 |
0.0 |
0.798 |
0 |
0 |
0 |
0.000 |
Average: |
29.2 |
-0.0 |
0.775 |
0 |
0 |
0 |
0.000 |
37 |
87 |
|
A |
2 |
1 |
3002 |
◊ |
[ACE]L:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
171 |
28.6 |
-0.3 |
0.752 |
0 |
0 |
0 |
0.002 |
38 |
88 |
|
E |
2 |
1 |
3049 |
◊ |
[ACE]I:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
170 |
28.4 |
-0.1 |
0.794 |
0 |
0 |
0 |
0.000 |
39 |
89 |
|
C |
2 |
1 |
2901 |
◊ |
[ACE]J:0 |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
172 |
28.0 |
-0.2 |
0.829 |
0 |
0 |
0 |
0.000 |
40 |
90 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
K |
-y,x+1,z+1/2 |
3_565 |
2 |
1 |
3084 |
27.6 |
-0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
41 |
91 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
J |
-y,x+1,z+1/2 |
3_565 |
2 |
1 |
2795 |
27.4 |
-0.4 |
0.651 |
0 |
0 |
0 |
0.002 |
42 |
92 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
2912 |
26.9 |
0.1 |
0.877 |
0 |
0 |
0 |
0.000 |
43 |
93 |
|
I |
3 |
1 |
2781 |
◊ |
I |
-x-1,-y+1,z |
2_465 |
3 |
1 |
2781 |
18.2 |
0.8 |
0.861 |
0 |
0 |
0 |
0.000 |
94 |
|
B |
1 |
1 |
2771 |
◊ |
B |
-x,-y,z |
2_555 |
1 |
1 |
2771 |
1.4 |
0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
Average: |
9.8 |
0.5 |
0.850 |
0 |
0 |
0 |
0.000 |
44 |
95 |
|
K |
3 |
1 |
3084 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
2771 |
16.7 |
-0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
96 |
|
I |
3 |
1 |
2781 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
3049 |
14.5 |
0.4 |
0.823 |
0 |
0 |
0 |
0.000 |
Average: |
15.6 |
0.2 |
0.724 |
0 |
0 |
0 |
0.000 |
45 |
97 |
|
[ACE]J:0 |
2 |
1 |
172 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
2923 |
16.1 |
0.1 |
0.897 |
0 |
0 |
0 |
0.000 |
46 |
98 |
|
[ACE]F:0 |
1 |
1 |
171 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
3049 |
16.0 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
47 |
99 |
|
[ACE]J:0 |
2 |
1 |
172 |
◊ |
[ACE]J:0 |
-x-1,-y,z |
2_455 |
2 |
1 |
172 |
14.5 |
-0.1 |
0.889 |
0 |
0 |
0 |
0.000 |
48 |
100 |
|
[ACE]A:0 |
1 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2901 |
14.2 |
0.4 |
0.777 |
0 |
0 |
0 |
0.000 |
101 |
|
[ACE]M:0 |
1 |
1 |
172 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
2781 |
11.2 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
Average: |
12.7 |
0.3 |
0.770 |
0 |
0 |
0 |
0.000 |
49 |
102 |
|
[ACE]I:0 |
1 |
1 |
170 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
3053 |
13.8 |
0.3 |
0.767 |
0 |
0 |
0 |
0.000 |
50 |
103 |
|
[ACE]B:0 |
1 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3002 |
13.3 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
51 |
104 |
|
[ACE]L:0 |
2 |
1 |
171 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
3084 |
11.6 |
0.1 |
0.840 |
0 |
0 |
0 |
0.000 |
52 |
105 |
|
M |
1 |
1 |
2831 |
◊ |
M |
-x-1,-y+1,z |
2_465 |
1 |
1 |
2831 |
10.5 |
-0.3 |
0.394 |
0 |
0 |
0 |
0.000 |
106 |
|
G |
2 |
1 |
3011 |
◊ |
G |
-x,-y,z |
2_555 |
2 |
1 |
3011 |
9.2 |
-0.3 |
0.575 |
0 |
0 |
0 |
0.000 |
Average: |
9.9 |
-0.3 |
0.485 |
0 |
0 |
0 |
0.000 |
53 |
107 |
|
E |
1 |
1 |
3049 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
2771 |
10.1 |
-0.7 |
0.298 |
0 |
0 |
0 |
0.009 |
108 |
|
F |
2 |
1 |
2912 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3002 |
6.9 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.009 |
109 |
|
K |
2 |
1 |
3084 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
2795 |
5.6 |
0.1 |
0.729 |
0 |
0 |
0 |
0.009 |
110 |
|
J |
1 |
1 |
2795 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
2781 |
4.5 |
0.2 |
0.834 |
0 |
0 |
0 |
0.009 |
111 |
|
L |
1 |
1 |
2923 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
3053 |
3.3 |
0.1 |
0.646 |
0 |
0 |
0 |
0.009 |
112 |
|
E |
2 |
1 |
3049 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2901 |
3.1 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.009 |
113 |
|
G |
1 |
1 |
3011 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3002 |
2.5 |
-0.0 |
0.664 |
0 |
0 |
0 |
0.009 |
114 |
|
K |
1 |
1 |
3084 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
2781 |
2.5 |
0.1 |
0.690 |
0 |
0 |
0 |
0.009 |
115 |
|
M |
1 |
1 |
2831 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
3053 |
0.8 |
0.0 |
0.739 |
0 |
0 |
0 |
0.009 |
116 |
|
C |
1 |
1 |
2901 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2771 |
0.4 |
-0.0 |
0.655 |
0 |
0 |
0 |
0.009 |
Average: |
4.0 |
-0.0 |
0.646 |
0 |
0 |
0 |
0.009 |
54 |
117 |
|
[ACE]C:0 |
2 |
1 |
171 |
◊ |
L |
-y,x+1,z+1/2 |
3_565 |
3 |
1 |
2923 |
10.0 |
0.1 |
0.848 |
0 |
0 |
0 |
0.000 |
55 |
118 |
|
F |
2 |
1 |
2912 |
◊ |
[ACE]J:0 |
-y,x+1,z+1/2 |
3_565 |
2 |
1 |
172 |
9.6 |
-0.1 |
0.855 |
0 |
0 |
0 |
0.000 |
56 |
119 |
|
C |
1 |
1 |
2901 |
◊ |
[ACE]L:0 |
-y,x+1,z+1/2 |
3_565 |
2 |
1 |
171 |
8.2 |
-0.0 |
0.889 |
0 |
0 |
0 |
0.000 |
57 |
120 |
|
[ACE]K:0 |
1 |
1 |
172 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
2831 |
7.0 |
-0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
58 |
121 |
|
A |
1 |
1 |
3002 |
◊ |
[ACE]K:0 |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
172 |
6.2 |
-0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
59 |
122 |
|
[ACE]H:0 |
1 |
1 |
171 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
2795 |
6.0 |
0.1 |
0.708 |
0 |
0 |
0 |
0.000 |
60 |
123 |
|
[ACE]E:0 |
1 |
1 |
173 |
◊ |
H |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
3053 |
5.4 |
-0.0 |
0.757 |
0 |
0 |
0 |
0.000 |
124 |
|
[ACE]G:0 |
1 |
1 |
171 |
◊ |
I |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
2781 |
1.5 |
-0.0 |
0.738 |
0 |
0 |
0 |
0.000 |
Average: |
3.4 |
-0.0 |
0.748 |
0 |
0 |
0 |
0.000 |
61 |
125 |
|
[ACE]E:0 |
1 |
1 |
173 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
3011 |
5.1 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
62 |
126 |
|
E |
1 |
1 |
3049 |
◊ |
[ACE]H:0 |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
171 |
3.6 |
-0.0 |
0.752 |
0 |
0 |
0 |
0.000 |
63 |
127 |
|
[ACE]A:0 |
1 |
1 |
172 |
◊ |
K |
-y,x+1,z+1/2 |
3_565 |
1 |
1 |
3084 |
3.5 |
-0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
|