## |
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 |
675 |
147 |
32573 |
◊ |
I |
x,y,z |
1_555 |
677 |
147 |
32485 |
6541.8 |
-71.4 |
0.993 |
363 |
0 |
0 |
0.788 |
2 |
2 |
|
F |
246 |
58 |
8982 |
◊ |
E |
x,y,z |
1_555 |
271 |
60 |
12873 |
2543.4 |
-39.7 |
0.036 |
25 |
4 |
0 |
0.799 |
3 |
3 |
|
D |
260 |
64 |
11167 |
◊ |
C |
x,y,z |
1_555 |
251 |
63 |
11095 |
2527.4 |
-47.1 |
0.009 |
18 |
5 |
0 |
0.827 |
4 |
4 |
|
H |
258 |
63 |
11434 |
◊ |
G |
x,y,z |
1_555 |
250 |
61 |
10640 |
2514.4 |
-43.1 |
0.027 |
20 |
8 |
0 |
0.819 |
5 |
5 |
|
B |
231 |
52 |
8830 |
◊ |
A |
x,y,z |
1_555 |
251 |
59 |
12305 |
2415.8 |
-41.9 |
0.021 |
23 |
4 |
0 |
0.846 |
6 |
6 |
|
I |
102 |
18 |
32485 |
◊ |
D |
x,y,z |
1_555 |
91 |
27 |
11167 |
845.3 |
-9.1 |
0.689 |
16 |
0 |
0 |
0.234 |
7 |
7 |
|
J |
103 |
22 |
32573 |
◊ |
A |
x,y,z |
1_555 |
80 |
23 |
12305 |
795.3 |
-6.8 |
0.793 |
12 |
0 |
0 |
0.169 |
8 |
8 |
|
J |
98 |
17 |
32573 |
◊ |
E |
x,y,z |
1_555 |
91 |
30 |
12873 |
794.0 |
-14.3 |
0.543 |
15 |
0 |
0 |
0.289 |
9 |
9 |
|
I |
105 |
21 |
32485 |
◊ |
E |
x,y,z |
1_555 |
80 |
24 |
12873 |
765.5 |
-8.0 |
0.743 |
16 |
0 |
0 |
0.173 |
10 |
10 |
|
J |
98 |
18 |
32573 |
◊ |
H |
x,y,z |
1_555 |
90 |
24 |
11434 |
730.9 |
-8.6 |
0.746 |
9 |
0 |
0 |
0.114 |
11 |
11 |
|
C |
71 |
18 |
11095 |
◊ |
E |
x,y,z |
1_555 |
65 |
22 |
12873 |
721.7 |
-6.5 |
0.330 |
12 |
4 |
0 |
0.143 |
12 |
12 |
|
J |
87 |
13 |
32573 |
◊ |
D |
x,y,z |
1_555 |
79 |
20 |
11167 |
721.6 |
-5.0 |
0.805 |
11 |
0 |
0 |
0.017 |
13 |
13 |
|
J |
82 |
14 |
32573 |
◊ |
B |
x,y,z |
1_555 |
83 |
29 |
8830 |
711.7 |
-11.7 |
0.502 |
10 |
0 |
0 |
0.407 |
14 |
14 |
|
I |
88 |
17 |
32485 |
◊ |
A |
x,y,z |
1_555 |
75 |
21 |
12305 |
703.6 |
-11.4 |
0.595 |
14 |
0 |
0 |
0.332 |
15 |
15 |
|
E |
77 |
21 |
12873 |
◊ |
G |
x-1/2,-y+3/2,-z |
4_465 |
70 |
18 |
10640 |
673.5 |
-5.2 |
0.456 |
1 |
0 |
0 |
0.000 |
16 |
16 |
|
G |
63 |
18 |
10640 |
◊ |
A |
x,y,z |
1_555 |
63 |
21 |
12305 |
673.3 |
-8.0 |
0.239 |
8 |
0 |
0 |
0.162 |
17 |
17 |
|
I |
78 |
15 |
32485 |
◊ |
C |
x,y,z |
1_555 |
81 |
24 |
11095 |
631.3 |
-11.5 |
0.513 |
8 |
0 |
0 |
0.315 |
18 |
|
J |
85 |
12 |
32573 |
◊ |
G |
x,y,z |
1_555 |
75 |
22 |
10640 |
623.5 |
-4.3 |
0.799 |
11 |
0 |
0 |
0.315 |
Average: |
627.4 |
-7.9 |
0.656 |
10 |
0 |
0 |
0.315 |
18 |
19 |
|
I |
76 |
11 |
32485 |
◊ |
F |
x,y,z |
1_555 |
82 |
27 |
8982 |
627.3 |
-9.1 |
0.593 |
11 |
0 |
0 |
0.117 |
19 |
20 |
|
J |
78 |
17 |
32573 |
◊ |
C |
x,y,z |
1_555 |
63 |
19 |
11095 |
616.5 |
-3.6 |
0.763 |
13 |
0 |
0 |
0.030 |
21 |
|
I |
76 |
15 |
32485 |
◊ |
G |
x,y,z |
1_555 |
59 |
19 |
10640 |
573.1 |
-3.3 |
0.786 |
15 |
0 |
0 |
0.030 |
Average: |
594.8 |
-3.4 |
0.774 |
14 |
0 |
0 |
0.030 |
20 |
22 |
|
E |
60 |
15 |
12873 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
12305 |
607.6 |
-7.5 |
0.309 |
2 |
4 |
0 |
0.045 |
21 |
23 |
|
E |
65 |
15 |
12873 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
71 |
11 |
32485 |
584.0 |
-10.7 |
0.512 |
7 |
0 |
0 |
0.043 |
22 |
24 |
|
I |
70 |
11 |
32485 |
◊ |
H |
x,y,z |
1_555 |
52 |
13 |
11434 |
515.3 |
-0.6 |
0.867 |
8 |
0 |
0 |
0.006 |
23 |
25 |
|
D |
52 |
12 |
11167 |
◊ |
B |
x,y,z |
1_555 |
51 |
11 |
8830 |
490.8 |
-1.3 |
0.673 |
5 |
5 |
0 |
0.020 |
24 |
26 |
|
H |
54 |
12 |
11434 |
◊ |
F |
x,y,z |
1_555 |
52 |
12 |
8982 |
484.9 |
-1.7 |
0.647 |
6 |
4 |
0 |
0.024 |
25 |
27 |
|
J |
59 |
13 |
32573 |
◊ |
F |
x,y,z |
1_555 |
48 |
17 |
8982 |
439.5 |
-3.5 |
0.731 |
4 |
0 |
0 |
0.046 |
26 |
28 |
|
G |
46 |
14 |
10640 |
◊ |
B |
x,y,z |
1_555 |
49 |
13 |
8830 |
418.8 |
-2.6 |
0.474 |
6 |
0 |
0 |
0.087 |
27 |
29 |
|
I |
55 |
13 |
32485 |
◊ |
B |
x,y,z |
1_555 |
38 |
15 |
8830 |
399.9 |
-2.9 |
0.735 |
4 |
0 |
0 |
0.042 |
28 |
30 |
|
C |
47 |
15 |
11095 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
8982 |
384.0 |
-4.0 |
0.341 |
5 |
0 |
0 |
0.039 |
29 |
31 |
|
I |
40 |
6 |
32485 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
10 |
12873 |
334.9 |
-6.6 |
0.480 |
4 |
0 |
0 |
0.000 |
30 |
32 |
|
D |
35 |
12 |
11167 |
◊ |
F |
x,y,z |
1_555 |
30 |
7 |
8982 |
287.4 |
0.0 |
0.684 |
7 |
1 |
0 |
0.013 |
31 |
33 |
|
H |
30 |
10 |
11434 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
8830 |
278.6 |
-0.4 |
0.657 |
4 |
2 |
0 |
0.018 |
32 |
34 |
|
F |
32 |
10 |
8982 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
30 |
7 |
11167 |
270.6 |
-2.0 |
0.518 |
3 |
2 |
0 |
0.008 |
33 |
35 |
|
A |
33 |
10 |
12305 |
◊ |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
27 |
4 |
32573 |
259.4 |
-0.0 |
0.771 |
7 |
0 |
0 |
0.000 |
34 |
36 |
|
I |
23 |
4 |
32485 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
11 |
12305 |
243.9 |
-9.2 |
0.203 |
3 |
0 |
0 |
0.000 |
35 |
37 |
|
I |
29 |
4 |
32485 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
30 |
10 |
12305 |
237.6 |
-5.7 |
0.441 |
4 |
0 |
0 |
0.000 |
36 |
38 |
|
J |
26 |
5 |
32573 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
27 |
8 |
12873 |
214.7 |
-4.5 |
0.493 |
3 |
0 |
0 |
0.000 |
37 |
39 |
|
F |
20 |
6 |
8982 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
30 |
8 |
11095 |
211.5 |
-1.0 |
0.551 |
1 |
2 |
0 |
0.004 |
38 |
40 |
|
J |
26 |
7 |
32573 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
16 |
8 |
12305 |
191.6 |
-3.9 |
0.496 |
1 |
0 |
0 |
0.014 |
39 |
41 |
|
I |
20 |
3 |
32485 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
20 |
5 |
11434 |
186.3 |
-4.6 |
0.412 |
2 |
0 |
0 |
0.000 |
40 |
42 |
|
E |
16 |
4 |
12873 |
◊ |
J |
x-1/2,-y+3/2,-z |
4_465 |
18 |
3 |
32573 |
157.2 |
-2.4 |
0.552 |
2 |
0 |
0 |
0.000 |
41 |
43 |
|
G |
17 |
6 |
10640 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
11095 |
143.1 |
0.9 |
0.737 |
1 |
0 |
0 |
0.000 |
42 |
44 |
|
J |
17 |
5 |
32573 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
5 |
11167 |
138.7 |
-1.0 |
0.650 |
4 |
0 |
0 |
0.006 |
43 |
45 |
|
E |
17 |
7 |
12873 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
21 |
7 |
12305 |
135.3 |
-1.0 |
0.527 |
0 |
0 |
0 |
0.003 |
44 |
46 |
|
C |
16 |
4 |
11095 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
11 |
3 |
12305 |
131.7 |
-0.8 |
0.552 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
J |
16 |
3 |
32573 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
12 |
3 |
12305 |
117.7 |
-1.4 |
0.607 |
2 |
0 |
0 |
0.000 |
46 |
48 |
|
C |
19 |
5 |
11095 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
12 |
2 |
32485 |
116.7 |
-1.9 |
0.493 |
1 |
0 |
0 |
0.000 |
47 |
49 |
|
J |
14 |
3 |
32573 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
15 |
4 |
11095 |
115.5 |
-4.2 |
0.333 |
2 |
0 |
0 |
0.012 |
48 |
50 |
|
A |
12 |
3 |
12305 |
◊ |
I |
-x+3/2,-y+1,z-1/2 |
2_664 |
9 |
3 |
32485 |
112.2 |
-3.4 |
0.328 |
2 |
0 |
0 |
0.000 |
49 |
51 |
|
J |
16 |
4 |
32573 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
19 |
4 |
32485 |
107.4 |
-2.5 |
0.592 |
0 |
0 |
0 |
0.008 |
50 |
52 |
|
D |
14 |
7 |
11167 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
15 |
7 |
10640 |
106.5 |
0.6 |
0.723 |
1 |
0 |
0 |
0.000 |
51 |
53 |
|
C |
9 |
2 |
11095 |
◊ |
J |
x-1/2,-y+3/2,-z |
4_465 |
14 |
3 |
32573 |
102.3 |
0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
I |
13 |
1 |
32485 |
◊ |
J |
x-1/2,-y+3/2,-z |
4_465 |
13 |
1 |
32573 |
95.8 |
3.2 |
0.876 |
0 |
0 |
0 |
0.000 |
53 |
55 |
|
D |
9 |
5 |
11167 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
32485 |
78.1 |
-3.4 |
0.320 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
G |
11 |
4 |
10640 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
13 |
5 |
11434 |
75.9 |
-1.0 |
0.511 |
0 |
0 |
0 |
0.000 |
55 |
57 |
|
I |
12 |
3 |
32485 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
3 |
11167 |
71.8 |
-1.7 |
0.539 |
1 |
0 |
0 |
0.003 |
56 |
58 |
|
J |
10 |
1 |
32573 |
x |
J |
x-1/2,-y+3/2,-z |
4_465 |
9 |
1 |
32573 |
69.0 |
1.5 |
0.776 |
0 |
0 |
0 |
0.000 |
57 |
59 |
|
E |
8 |
2 |
12873 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
11 |
3 |
11095 |
67.5 |
0.3 |
0.603 |
1 |
0 |
0 |
0.000 |
58 |
60 |
|
D |
6 |
2 |
11167 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
10640 |
64.6 |
-0.3 |
0.567 |
1 |
0 |
0 |
0.001 |
59 |
61 |
|
E |
8 |
3 |
12873 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
4 |
11167 |
62.8 |
0.2 |
0.683 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
I |
7 |
3 |
32485 |
◊ |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
12 |
3 |
32573 |
61.9 |
-3.4 |
0.360 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[CL]E:3148 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
12873 |
61.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.149 |
62 |
64 |
|
[CL]A:3147 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
12305 |
59.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.167 |
63 |
65 |
|
H |
8 |
3 |
11434 |
◊ |
I |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
2 |
32485 |
59.0 |
-2.1 |
0.404 |
2 |
0 |
0 |
0.007 |
64 |
66 |
|
H |
6 |
2 |
11434 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
11095 |
57.1 |
-0.3 |
0.576 |
2 |
0 |
0 |
0.002 |
65 |
67 |
|
[MN]J:3139 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32573 |
56.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.125 |
68 |
|
[MN]I:3143 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
32485 |
56.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
56.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.125 |
66 |
69 |
|
[MN]I:3142 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32485 |
54.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.093 |
70 |
|
[MN]J:3134 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32573 |
52.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
53.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.093 |
67 |
71 |
|
[MN]I:3138 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32485 |
52.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.100 |
72 |
|
[MN]J:3131 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32573 |
52.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
52.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.100 |
68 |
73 |
|
[MN]J:3135 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32573 |
51.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.095 |
74 |
|
[MN]I:3137 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32485 |
49.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
50.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.095 |
69 |
75 |
|
[MN]J:3133 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32573 |
51.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.089 |
76 |
|
[MN]I:3140 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32485 |
50.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
50.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.089 |
70 |
77 |
|
[MN]I:3136 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
11 |
3 |
32485 |
49.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.063 |
71 |
78 |
|
C |
4 |
2 |
11095 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12305 |
49.3 |
1.0 |
0.805 |
1 |
0 |
0 |
0.000 |
72 |
79 |
|
[MN]E:3132 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
12873 |
46.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.035 |
73 |
80 |
|
[CL]D:3146 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
11095 |
45.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.130 |
81 |
|
[CL]H:3145 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
10640 |
45.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
45.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.130 |
74 |
82 |
|
H |
5 |
2 |
11434 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
2 |
8830 |
45.1 |
1.0 |
0.815 |
1 |
2 |
0 |
0.000 |
75 |
83 |
|
D |
5 |
1 |
11167 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
2 |
11434 |
44.1 |
-0.7 |
0.409 |
0 |
0 |
0 |
0.000 |
76 |
84 |
|
[CL]H:3145 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
11434 |
43.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.085 |
77 |
85 |
|
[CL]D:3146 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11167 |
43.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.080 |
78 |
86 |
|
[MN]J:3144 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
2 |
32573 |
42.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.090 |
87 |
|
[MN]I:3141 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
6 |
2 |
32485 |
38.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
40.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.090 |
79 |
88 |
|
[MN]I:3141 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
6 |
3 |
32573 |
42.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.016 |
89 |
|
[MN]J:3144 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
32485 |
34.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
38.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
80 |
90 |
|
H |
4 |
2 |
11434 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
32485 |
41.6 |
-2.2 |
0.230 |
0 |
0 |
0 |
0.000 |
81 |
91 |
|
J |
8 |
3 |
32573 |
◊ |
I |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
2 |
32485 |
40.5 |
-2.3 |
0.363 |
0 |
0 |
0 |
0.000 |
82 |
92 |
|
[MN]I:3136 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
32573 |
39.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.006 |
83 |
93 |
|
[MN]E:3132 |
1 |
1 |
123 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
4 |
11167 |
35.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.005 |
84 |
94 |
|
E |
3 |
1 |
12873 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
12305 |
33.8 |
-1.0 |
0.263 |
0 |
0 |
0 |
0.000 |
85 |
95 |
|
D |
3 |
1 |
11167 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
32573 |
31.6 |
-0.9 |
0.511 |
0 |
0 |
0 |
0.000 |
86 |
96 |
|
I |
7 |
2 |
32485 |
◊ |
[MN]J:3133 |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
123 |
30.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
87 |
97 |
|
H |
3 |
2 |
11434 |
◊ |
J |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
2 |
32573 |
30.3 |
-0.2 |
0.664 |
1 |
0 |
0 |
0.000 |
88 |
98 |
|
G |
4 |
2 |
10640 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
12873 |
27.2 |
0.8 |
0.836 |
0 |
0 |
0 |
0.000 |
89 |
99 |
|
E |
5 |
2 |
12873 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
8830 |
24.7 |
0.7 |
0.790 |
1 |
0 |
0 |
0.000 |
90 |
100 |
|
I |
6 |
2 |
32485 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
8830 |
24.5 |
1.5 |
0.834 |
0 |
0 |
0 |
0.000 |
91 |
101 |
|
C |
2 |
1 |
11095 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
8830 |
23.5 |
-0.6 |
0.351 |
0 |
0 |
0 |
0.000 |
92 |
102 |
|
[MN]J:3133 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
32485 |
22.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.011 |
103 |
|
[MN]I:3140 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
32573 |
18.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
20.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
93 |
104 |
|
[MN]J:3139 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32485 |
21.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
105 |
|
[MN]I:3143 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32573 |
20.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
21.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
94 |
106 |
|
C |
2 |
1 |
11095 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
32573 |
20.0 |
-0.8 |
0.483 |
1 |
0 |
0 |
0.000 |
95 |
107 |
|
I |
3 |
1 |
32485 |
x |
I |
x-1,y,z |
1_455 |
4 |
2 |
32485 |
18.6 |
-1.2 |
0.401 |
0 |
0 |
0 |
0.000 |
96 |
108 |
|
I |
3 |
1 |
32485 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
10640 |
17.9 |
-0.7 |
0.499 |
0 |
0 |
0 |
0.000 |
97 |
109 |
|
H |
2 |
1 |
11434 |
x |
H |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
11434 |
17.3 |
-0.6 |
0.279 |
0 |
0 |
0 |
0.000 |
98 |
110 |
|
[MN]E:3132 |
1 |
1 |
123 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
11095 |
17.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.001 |
99 |
111 |
|
[MN]E:3132 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
8982 |
14.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
100 |
112 |
|
[CL]D:3146 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32573 |
14.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.006 |
113 |
|
[CL]H:3145 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32485 |
12.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
13.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.006 |
101 |
114 |
|
[MN]I:3136 |
1 |
1 |
123 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
11167 |
13.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.001 |
102 |
115 |
|
C |
2 |
1 |
11095 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
32485 |
11.2 |
-0.6 |
0.403 |
0 |
0 |
0 |
0.000 |
103 |
116 |
|
[MN]I:3142 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32573 |
8.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
117 |
|
[MN]J:3134 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32485 |
7.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
8.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
104 |
118 |
|
H |
4 |
3 |
11434 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
11167 |
8.1 |
0.0 |
0.677 |
0 |
0 |
0 |
0.000 |
105 |
119 |
|
J |
2 |
1 |
32573 |
x |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
32573 |
8.1 |
-0.2 |
0.339 |
0 |
0 |
0 |
0.000 |
106 |
120 |
|
[MN]I:3138 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32573 |
7.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
121 |
|
[MN]J:3131 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32485 |
4.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
6.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
107 |
122 |
|
J |
1 |
1 |
32573 |
◊ |
I |
x-1,y,z |
1_455 |
1 |
1 |
32485 |
7.7 |
-0.8 |
0.179 |
0 |
0 |
0 |
0.000 |
108 |
123 |
|
[MN]I:3137 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32573 |
6.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
124 |
|
[MN]J:3135 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32485 |
5.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
6.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
109 |
125 |
|
[CL]A:3147 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8830 |
6.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
110 |
126 |
|
[MN]I:3140 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
8982 |
6.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
111 |
127 |
|
[CL]E:3148 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8982 |
5.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
112 |
128 |
|
G |
2 |
1 |
10640 |
◊ |
I |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
32485 |
5.0 |
-0.3 |
0.323 |
0 |
0 |
0 |
0.000 |
113 |
129 |
|
B |
1 |
1 |
8830 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
12873 |
4.7 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
114 |
130 |
|
I |
1 |
1 |
32485 |
x |
I |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
32485 |
1.5 |
-0.1 |
0.302 |
0 |
0 |
0 |
0.000 |
115 |
131 |
|
G |
1 |
1 |
10640 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8982 |
1.4 |
0.1 |
0.727 |
0 |
0 |
0 |
0.000 |
|