## |
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 |
76 |
19 |
2914 |
◊ |
D |
x,y,z |
1_555 |
69 |
18 |
2989 |
641.6 |
-9.2 |
0.770 |
4 |
0 |
0 |
0.251 |
2 |
|
H |
79 |
19 |
3077 |
◊ |
B |
x,y,z |
1_555 |
72 |
19 |
3031 |
633.7 |
-8.6 |
0.766 |
4 |
0 |
0 |
0.251 |
3 |
|
J |
69 |
17 |
2839 |
◊ |
F |
x,y,z |
1_555 |
65 |
17 |
2795 |
614.7 |
-7.9 |
0.845 |
4 |
0 |
0 |
0.251 |
Average: |
630.0 |
-8.6 |
0.794 |
4 |
0 |
0 |
0.251 |
2 |
4 |
|
B |
63 |
17 |
3031 |
◊ |
A |
x,y,z |
1_555 |
62 |
15 |
2637 |
635.4 |
-12.7 |
0.270 |
5 |
0 |
2 |
1.000 |
5 |
|
L |
61 |
17 |
2914 |
◊ |
K |
x,y,z |
1_555 |
60 |
15 |
2229 |
601.9 |
-12.1 |
0.345 |
6 |
2 |
2 |
1.000 |
6 |
|
H |
64 |
16 |
3077 |
◊ |
G |
x,y,z |
1_555 |
60 |
13 |
2082 |
572.4 |
-14.8 |
0.198 |
3 |
0 |
2 |
1.000 |
7 |
|
D |
55 |
16 |
2989 |
◊ |
C |
x,y,z |
1_555 |
56 |
14 |
2129 |
523.8 |
-11.5 |
0.308 |
5 |
0 |
2 |
1.000 |
8 |
|
J |
54 |
15 |
2839 |
◊ |
I |
x,y,z |
1_555 |
48 |
12 |
2136 |
514.5 |
-13.5 |
0.244 |
3 |
0 |
2 |
1.000 |
9 |
|
F |
52 |
15 |
2795 |
◊ |
E |
x,y,z |
1_555 |
45 |
12 |
2101 |
481.0 |
-11.9 |
0.227 |
5 |
0 |
2 |
1.000 |
Average: |
554.8 |
-12.8 |
0.266 |
5 |
0 |
2 |
1.000 |
3 |
10 |
|
C |
28 |
7 |
2129 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
7 |
2637 |
294.3 |
-3.1 |
0.688 |
0 |
2 |
0 |
0.025 |
4 |
11 |
|
F |
25 |
5 |
2795 |
◊ |
I |
-x+2,y-1/2,-z+1 |
2_746 |
28 |
7 |
2136 |
260.7 |
-1.4 |
0.806 |
2 |
0 |
0 |
0.000 |
5 |
12 |
|
H |
21 |
4 |
3077 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
2989 |
190.1 |
-0.7 |
0.735 |
1 |
0 |
0 |
0.161 |
13 |
|
J |
20 |
4 |
2839 |
◊ |
H |
x,y,z |
1_555 |
18 |
6 |
3077 |
172.6 |
-2.7 |
0.556 |
1 |
0 |
0 |
0.161 |
14 |
|
J |
17 |
6 |
2839 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
2989 |
125.2 |
-1.3 |
0.698 |
0 |
0 |
0 |
0.161 |
15 |
|
F |
12 |
4 |
2795 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
3031 |
100.0 |
-2.3 |
0.443 |
0 |
0 |
0 |
0.161 |
16 |
|
L |
15 |
6 |
2914 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
3031 |
96.4 |
-2.1 |
0.518 |
0 |
0 |
0 |
0.161 |
17 |
|
L |
11 |
5 |
2914 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
2795 |
91.9 |
-2.4 |
0.327 |
0 |
0 |
0 |
0.161 |
Average: |
129.4 |
-1.9 |
0.546 |
0 |
0 |
0 |
0.161 |
6 |
18 |
|
K |
22 |
5 |
2229 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
16 |
3 |
2989 |
179.7 |
-1.6 |
0.741 |
0 |
0 |
0 |
0.000 |
7 |
19 |
|
E |
15 |
3 |
2101 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
3 |
2637 |
176.0 |
-1.5 |
0.627 |
0 |
0 |
0 |
0.000 |
8 |
20 |
|
C |
21 |
6 |
2129 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
3 |
3031 |
165.4 |
-1.3 |
0.650 |
1 |
1 |
0 |
0.013 |
9 |
21 |
|
J |
17 |
5 |
2839 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
2129 |
148.5 |
-1.8 |
0.682 |
0 |
0 |
0 |
0.064 |
22 |
|
H |
18 |
4 |
3077 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
2136 |
141.3 |
-3.3 |
0.413 |
0 |
0 |
0 |
0.064 |
23 |
|
F |
18 |
3 |
2795 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
2637 |
139.8 |
-2.2 |
0.569 |
1 |
0 |
0 |
0.064 |
24 |
|
L |
17 |
5 |
2914 |
◊ |
E |
x,y,z |
1_555 |
16 |
6 |
2101 |
128.9 |
-3.0 |
0.502 |
0 |
0 |
0 |
0.064 |
25 |
|
D |
16 |
4 |
2989 |
◊ |
G |
x,y,z |
1_555 |
16 |
6 |
2082 |
113.3 |
-2.2 |
0.570 |
0 |
0 |
0 |
0.064 |
26 |
|
B |
14 |
4 |
3031 |
◊ |
K |
x,y,z |
1_555 |
16 |
6 |
2229 |
110.0 |
-2.6 |
0.498 |
0 |
0 |
0 |
0.064 |
Average: |
130.3 |
-2.5 |
0.539 |
0 |
0 |
0 |
0.064 |
10 |
27 |
|
K |
19 |
4 |
2229 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
15 |
3 |
2839 |
132.8 |
-0.0 |
0.862 |
0 |
0 |
0 |
0.000 |
11 |
28 |
|
D |
16 |
6 |
2989 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
1 |
2637 |
132.3 |
0.1 |
0.807 |
3 |
0 |
0 |
0.009 |
12 |
29 |
|
[IMD]K:1022 |
5 |
1 |
197 |
◊ |
K |
x,y,z |
1_555 |
15 |
7 |
2229 |
112.8 |
3.5 |
0.484 |
0 |
0 |
0 |
0.000 |
13 |
30 |
|
J |
12 |
4 |
2839 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
3031 |
104.5 |
-2.1 |
0.488 |
0 |
0 |
0 |
0.053 |
31 |
|
F |
13 |
4 |
2795 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
2989 |
99.1 |
-2.1 |
0.525 |
0 |
0 |
0 |
0.053 |
32 |
|
L |
12 |
4 |
2914 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
3077 |
98.5 |
-2.3 |
0.322 |
0 |
0 |
0 |
0.053 |
Average: |
100.7 |
-2.2 |
0.445 |
0 |
0 |
0 |
0.053 |
14 |
33 |
|
B |
11 |
2 |
3031 |
◊ |
I |
-x+2,y-1/2,-z+1 |
2_746 |
13 |
4 |
2136 |
101.6 |
-0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
15 |
34 |
|
L |
11 |
5 |
2914 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
8 |
1 |
2989 |
99.1 |
-1.8 |
0.451 |
0 |
0 |
0 |
0.000 |
16 |
35 |
|
L |
11 |
3 |
2914 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
9 |
3 |
2082 |
97.2 |
-1.7 |
0.531 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
L |
13 |
4 |
2914 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
2082 |
89.6 |
-2.5 |
0.278 |
0 |
0 |
0 |
0.033 |
37 |
|
B |
9 |
3 |
3031 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
2136 |
63.2 |
-1.4 |
0.381 |
0 |
0 |
0 |
0.033 |
38 |
|
J |
9 |
2 |
2839 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2637 |
59.4 |
-1.6 |
0.252 |
0 |
0 |
0 |
0.033 |
39 |
|
H |
9 |
3 |
3077 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
2229 |
55.2 |
-1.5 |
0.290 |
0 |
0 |
0 |
0.033 |
40 |
|
F |
9 |
2 |
2795 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2129 |
53.9 |
-1.4 |
0.266 |
0 |
0 |
0 |
0.033 |
41 |
|
D |
9 |
2 |
2989 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
2101 |
51.6 |
-1.3 |
0.329 |
0 |
0 |
0 |
0.033 |
Average: |
62.1 |
-1.6 |
0.299 |
0 |
0 |
0 |
0.033 |
18 |
42 |
|
K |
13 |
3 |
2229 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
9 |
3 |
2129 |
86.4 |
-0.4 |
0.733 |
1 |
0 |
0 |
0.000 |
19 |
43 |
|
[RCO]J:1029 |
7 |
1 |
247 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
2136 |
78.0 |
1.5 |
0.067 |
2 |
0 |
0 |
0.000 |
44 |
|
[RCO]D:1029 |
8 |
1 |
244 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
2129 |
76.8 |
1.4 |
0.034 |
2 |
0 |
0 |
0.000 |
45 |
|
[RCO]L:1030 |
7 |
1 |
246 |
◊ |
K |
x,y,z |
1_555 |
12 |
6 |
2229 |
75.9 |
1.3 |
0.066 |
2 |
0 |
0 |
0.000 |
Average: |
76.9 |
1.4 |
0.055 |
2 |
0 |
0 |
0.000 |
20 |
46 |
|
[RCO]E:1022 |
8 |
1 |
247 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
2101 |
76.8 |
1.5 |
0.034 |
2 |
0 |
0 |
0.000 |
47 |
|
[RCO]B:1030 |
8 |
1 |
245 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
2637 |
75.8 |
1.4 |
0.032 |
2 |
0 |
0 |
0.000 |
48 |
|
[RCO]G:1022 |
8 |
1 |
244 |
◊ |
G |
x,y,z |
1_555 |
14 |
6 |
2082 |
74.3 |
1.4 |
0.019 |
2 |
0 |
0 |
0.000 |
Average: |
75.6 |
1.4 |
0.029 |
2 |
0 |
0 |
0.000 |
21 |
49 |
|
[RCO]L:1030 |
8 |
1 |
246 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
2914 |
74.0 |
1.1 |
0.045 |
0 |
0 |
0 |
0.000 |
50 |
|
[RCO]J:1029 |
8 |
1 |
247 |
◊ |
J |
x,y,z |
1_555 |
10 |
4 |
2839 |
73.7 |
1.1 |
0.033 |
0 |
0 |
0 |
0.000 |
51 |
|
[RCO]D:1029 |
8 |
1 |
244 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
2989 |
70.0 |
1.2 |
0.035 |
0 |
0 |
0 |
0.000 |
Average: |
72.6 |
1.1 |
0.038 |
0 |
0 |
0 |
0.000 |
22 |
52 |
|
A |
7 |
3 |
2637 |
◊ |
I |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
4 |
2136 |
72.7 |
-0.4 |
0.632 |
0 |
0 |
0 |
0.000 |
23 |
53 |
|
[RCO]G:1022 |
8 |
1 |
244 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
3077 |
72.3 |
1.0 |
0.026 |
0 |
0 |
0 |
0.000 |
54 |
|
[RCO]B:1030 |
8 |
1 |
245 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
3031 |
68.9 |
1.1 |
0.034 |
0 |
0 |
0 |
0.000 |
55 |
|
[RCO]E:1022 |
8 |
1 |
247 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
2795 |
68.0 |
1.2 |
0.033 |
0 |
0 |
0 |
0.000 |
Average: |
69.7 |
1.1 |
0.031 |
0 |
0 |
0 |
0.000 |
24 |
56 |
|
E |
7 |
3 |
2101 |
◊ |
I |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
2 |
2136 |
68.4 |
-1.5 |
0.484 |
0 |
0 |
0 |
0.000 |
25 |
57 |
|
D |
10 |
5 |
2989 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
2229 |
67.8 |
0.1 |
0.792 |
0 |
0 |
0 |
0.000 |
58 |
|
L |
6 |
3 |
2914 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2129 |
50.6 |
0.3 |
0.777 |
1 |
0 |
0 |
0.000 |
59 |
|
H |
10 |
4 |
3077 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2637 |
44.8 |
0.4 |
0.809 |
0 |
0 |
0 |
0.000 |
60 |
|
J |
4 |
2 |
2839 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2101 |
38.7 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
61 |
|
B |
3 |
3 |
3031 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
2082 |
13.9 |
0.3 |
0.815 |
0 |
0 |
0 |
0.000 |
62 |
|
F |
4 |
3 |
2795 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
2136 |
13.1 |
0.3 |
0.790 |
0 |
0 |
0 |
0.000 |
Average: |
38.2 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
26 |
63 |
|
[RCO]B:1030 |
8 |
1 |
245 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
2795 |
65.5 |
0.7 |
0.533 |
0 |
0 |
0 |
0.000 |
64 |
|
[RCO]G:1022 |
8 |
1 |
244 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
2989 |
62.9 |
0.7 |
0.635 |
0 |
0 |
0 |
0.000 |
Average: |
64.2 |
0.7 |
0.584 |
0 |
0 |
0 |
0.000 |
27 |
65 |
|
[RCO]J:1029 |
8 |
1 |
247 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
3077 |
64.4 |
0.6 |
0.480 |
0 |
0 |
0 |
0.000 |
66 |
|
[RCO]L:1030 |
8 |
1 |
246 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
3031 |
63.3 |
0.6 |
0.560 |
0 |
0 |
0 |
0.000 |
67 |
|
[RCO]D:1029 |
8 |
1 |
244 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
2839 |
62.3 |
0.7 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
63.3 |
0.6 |
0.545 |
0 |
0 |
0 |
0.000 |
28 |
68 |
|
[RCO]E:1022 |
8 |
1 |
247 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
2914 |
62.0 |
0.7 |
0.595 |
0 |
0 |
0 |
0.000 |
29 |
69 |
|
K |
10 |
4 |
2229 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
11 |
4 |
3077 |
61.2 |
1.0 |
0.899 |
0 |
0 |
0 |
0.000 |
30 |
70 |
|
C |
9 |
3 |
2129 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
1 |
3077 |
60.5 |
-0.7 |
0.364 |
0 |
0 |
0 |
0.005 |
31 |
71 |
|
[NA]H:1032 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
12 |
3 |
3077 |
59.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.265 |
32 |
72 |
|
[IMD]L:1031 |
5 |
1 |
197 |
◊ |
L |
x,y,z |
1_555 |
12 |
4 |
2914 |
57.1 |
1.0 |
0.197 |
0 |
0 |
0 |
0.000 |
33 |
73 |
|
[IMD]L:1031 |
5 |
1 |
197 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
2795 |
52.7 |
0.6 |
0.139 |
0 |
0 |
0 |
0.000 |
34 |
74 |
|
L |
7 |
1 |
2914 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
3077 |
48.4 |
-1.5 |
0.374 |
0 |
0 |
0 |
0.000 |
35 |
75 |
|
D |
8 |
3 |
2989 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
1 |
3031 |
47.8 |
0.8 |
0.852 |
0 |
0 |
0 |
0.000 |
36 |
76 |
|
[IMD]L:1031 |
4 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
3031 |
47.8 |
0.8 |
0.220 |
0 |
0 |
0 |
0.000 |
37 |
77 |
|
K |
4 |
2 |
2229 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
2082 |
45.0 |
-0.7 |
0.497 |
0 |
0 |
0 |
0.008 |
78 |
|
I |
2 |
1 |
2136 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
2637 |
34.5 |
-0.9 |
0.282 |
0 |
0 |
0 |
0.008 |
79 |
|
E |
3 |
1 |
2101 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
2129 |
24.1 |
-0.8 |
0.378 |
0 |
0 |
0 |
0.008 |
Average: |
34.5 |
-0.8 |
0.386 |
0 |
0 |
0 |
0.008 |
38 |
80 |
|
[NA]B:1031 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
2637 |
44.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.159 |
39 |
81 |
|
[IMD]D:1030 |
3 |
1 |
198 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3077 |
38.2 |
1.2 |
0.223 |
0 |
0 |
0 |
0.000 |
40 |
82 |
|
[IMD]D:1030 |
2 |
1 |
198 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
2839 |
36.8 |
1.6 |
0.379 |
0 |
0 |
0 |
0.000 |
41 |
83 |
|
[NA]B:1031 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
3031 |
35.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.118 |
42 |
84 |
|
[IMD]D:1030 |
2 |
1 |
198 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
2914 |
35.4 |
1.2 |
0.377 |
0 |
0 |
0 |
0.000 |
43 |
85 |
|
[IMD]D:1030 |
3 |
1 |
198 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
2989 |
32.3 |
1.0 |
0.218 |
0 |
0 |
0 |
0.000 |
44 |
86 |
|
[ZN]H:1030 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
3077 |
31.5 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.733 |
87 |
|
[ZN]H:1030 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
2839 |
28.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.733 |
88 |
|
[ZN]H:1030 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
2989 |
26.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.733 |
89 |
|
[ZN]F:1029 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
2795 |
26.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.733 |
90 |
|
[ZN]F:1029 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
2914 |
24.0 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.733 |
91 |
|
[ZN]F:1029 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
3031 |
23.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.733 |
Average: |
26.7 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.733 |
45 |
92 |
|
F |
4 |
1 |
2795 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
2637 |
31.4 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
46 |
93 |
|
D |
5 |
1 |
2989 |
◊ |
[NA]B:1031 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
30.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.019 |
47 |
94 |
|
L |
3 |
2 |
2914 |
◊ |
I |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
2 |
2136 |
29.2 |
-0.4 |
0.523 |
0 |
0 |
0 |
0.000 |
48 |
95 |
|
[IMD]K:1022 |
3 |
1 |
197 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
2989 |
29.1 |
1.0 |
0.216 |
0 |
0 |
0 |
0.000 |
49 |
96 |
|
[NA]H:1032 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
3031 |
28.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.042 |
50 |
97 |
|
B |
3 |
1 |
3031 |
◊ |
J |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
2839 |
27.3 |
-0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
51 |
98 |
|
[IMD]D:1030 |
3 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
3031 |
25.1 |
0.8 |
0.210 |
0 |
0 |
0 |
0.000 |
52 |
99 |
|
L |
1 |
1 |
2914 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
2839 |
23.9 |
0.7 |
0.740 |
0 |
0 |
0 |
0.000 |
53 |
100 |
|
[IMD]K:1022 |
2 |
1 |
197 |
f |
C |
-x+1,y-1/2,-z |
2_645 |
6 |
4 |
2129 |
23.1 |
0.7 |
0.354 |
0 |
0 |
0 |
0.000 |
54 |
101 |
|
[RCO]E:1022 |
3 |
1 |
247 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
2989 |
22.6 |
-0.1 |
0.576 |
0 |
0 |
0 |
0.100 |
102 |
|
[RCO]B:1030 |
3 |
1 |
245 |
f |
J |
x,y,z |
1_555 |
2 |
1 |
2839 |
20.4 |
-0.1 |
0.584 |
0 |
0 |
0 |
0.100 |
103 |
|
[RCO]G:1022 |
1 |
1 |
244 |
f |
L |
x,y,z |
1_555 |
1 |
1 |
2914 |
19.4 |
-0.1 |
0.407 |
0 |
0 |
0 |
0.100 |
Average: |
20.8 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.100 |
55 |
104 |
|
[ZN]F:1029 |
1 |
1 |
98 |
cf |
[IMD]L:1031 |
x,y,z |
1_555 |
3 |
1 |
197 |
21.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.211 |
56 |
105 |
|
[RCO]D:1029 |
3 |
1 |
244 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
2795 |
19.6 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.100 |
106 |
|
[RCO]L:1030 |
3 |
1 |
246 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
3077 |
19.4 |
-0.1 |
0.549 |
0 |
0 |
0 |
0.100 |
107 |
|
[RCO]J:1029 |
2 |
1 |
247 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
3031 |
15.0 |
-0.1 |
0.646 |
0 |
0 |
0 |
0.100 |
Average: |
18.0 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.100 |
57 |
108 |
|
C |
1 |
1 |
2129 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
2082 |
14.2 |
0.4 |
0.847 |
0 |
0 |
0 |
0.000 |
58 |
109 |
|
[IMD]D:1030 |
1 |
1 |
198 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
2795 |
12.1 |
0.3 |
0.520 |
0 |
0 |
0 |
0.000 |
59 |
110 |
|
[NA]H:1032 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
2914 |
10.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
60 |
111 |
|
C |
1 |
1 |
2129 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
2082 |
8.7 |
0.2 |
0.821 |
0 |
0 |
0 |
0.000 |
61 |
112 |
|
K |
1 |
1 |
2229 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
2136 |
8.2 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
62 |
113 |
|
D |
2 |
1 |
2989 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
3077 |
4.5 |
-0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
63 |
114 |
|
C |
1 |
1 |
2129 |
◊ |
[NA]B:1031 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
3.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
64 |
115 |
|
C |
2 |
1 |
2129 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
3077 |
2.8 |
-0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
|