## |
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 |
|
Q |
139 |
29 |
23779 |
◊ |
F |
x,y,z |
1_555 |
114 |
12 |
3243 |
1017.3 |
-19.3 |
0.861 |
30 |
0 |
0 |
0.374 |
2 |
|
R |
139 |
28 |
23867 |
◊ |
G |
x,y,z |
1_555 |
114 |
12 |
3199 |
1012.9 |
-19.9 |
0.861 |
30 |
0 |
0 |
0.374 |
3 |
|
S |
128 |
25 |
23907 |
◊ |
H |
x,y,z |
1_555 |
106 |
12 |
3052 |
971.7 |
-17.2 |
0.914 |
30 |
0 |
0 |
0.374 |
4 |
|
P |
129 |
26 |
23853 |
◊ |
E |
x,y,z |
1_555 |
101 |
12 |
3066 |
970.2 |
-17.5 |
0.886 |
30 |
0 |
0 |
0.374 |
Average: |
993.0 |
-18.5 |
0.881 |
30 |
0 |
0 |
0.374 |
2 |
5 |
|
Q |
122 |
16 |
23779 |
◊ |
B |
x,y,z |
1_555 |
115 |
33 |
5610 |
1015.9 |
-11.3 |
0.756 |
22 |
0 |
0 |
0.362 |
6 |
|
R |
118 |
15 |
23867 |
◊ |
C |
x,y,z |
1_555 |
106 |
31 |
5406 |
972.7 |
-9.4 |
0.846 |
17 |
0 |
0 |
0.362 |
Average: |
994.3 |
-10.4 |
0.801 |
20 |
0 |
0 |
0.362 |
3 |
7 |
|
P |
119 |
16 |
23853 |
◊ |
A |
x,y,z |
1_555 |
111 |
31 |
5436 |
983.9 |
-7.2 |
0.873 |
20 |
0 |
0 |
0.259 |
8 |
|
S |
107 |
12 |
23907 |
◊ |
D |
x,y,z |
1_555 |
107 |
30 |
5319 |
935.6 |
-8.1 |
0.837 |
19 |
0 |
0 |
0.259 |
Average: |
959.7 |
-7.6 |
0.855 |
20 |
0 |
0 |
0.259 |
4 |
9 |
|
P |
114 |
31 |
23853 |
◊ |
S |
x,y,z-1 |
1_554 |
116 |
30 |
23907 |
834.7 |
-17.1 |
0.982 |
7 |
0 |
0 |
0.218 |
5 |
10 |
|
B |
68 |
15 |
5610 |
◊ |
A |
x,y,z |
1_555 |
73 |
15 |
5436 |
585.6 |
-7.1 |
0.232 |
6 |
0 |
0 |
0.067 |
11 |
|
D |
69 |
15 |
5319 |
◊ |
C |
x,y,z |
1_555 |
67 |
15 |
5406 |
574.9 |
-7.4 |
0.216 |
3 |
0 |
0 |
0.067 |
Average: |
580.3 |
-7.2 |
0.224 |
5 |
0 |
0 |
0.067 |
6 |
12 |
|
R |
59 |
17 |
23867 |
◊ |
Q |
x,y,z |
1_555 |
59 |
19 |
23779 |
457.6 |
-11.5 |
0.900 |
5 |
0 |
0 |
0.056 |
7 |
13 |
|
S |
63 |
15 |
23907 |
◊ |
R |
x,y,z |
1_555 |
62 |
14 |
23867 |
445.9 |
-7.6 |
0.958 |
0 |
0 |
0 |
0.060 |
14 |
|
Q |
47 |
14 |
23779 |
◊ |
P |
x,y,z |
1_555 |
49 |
15 |
23853 |
329.6 |
-8.3 |
0.893 |
1 |
0 |
0 |
0.060 |
Average: |
387.8 |
-8.0 |
0.925 |
1 |
0 |
0 |
0.060 |
8 |
15 |
|
S |
45 |
5 |
23907 |
◊ |
P |
-x+1,y-1/2,-z+1 |
2_646 |
50 |
5 |
23853 |
315.0 |
-2.0 |
0.972 |
2 |
0 |
0 |
0.000 |
9 |
16 |
|
[GTP]Q:12 |
29 |
1 |
605 |
cf |
Q |
x,y,z |
1_555 |
41 |
8 |
23779 |
307.7 |
-0.5 |
0.897 |
4 |
0 |
0 |
0.039 |
10 |
17 |
|
[GTP]S:12 |
28 |
1 |
600 |
cf |
S |
x,y,z |
1_555 |
45 |
8 |
23907 |
306.3 |
0.9 |
0.907 |
5 |
0 |
0 |
0.016 |
11 |
18 |
|
[GTP]R:12 |
27 |
1 |
591 |
cf |
R |
x,y,z |
1_555 |
42 |
8 |
23867 |
284.2 |
-1.7 |
0.820 |
4 |
0 |
0 |
0.063 |
12 |
19 |
|
[GTP]P:12 |
28 |
1 |
600 |
cf |
P |
x,y,z |
1_555 |
41 |
8 |
23853 |
278.6 |
-0.3 |
0.906 |
3 |
0 |
0 |
0.019 |
13 |
20 |
|
B |
29 |
8 |
5610 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
7 |
5319 |
267.4 |
1.8 |
0.776 |
3 |
0 |
0 |
0.000 |
14 |
21 |
|
B |
28 |
8 |
5610 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
8 |
5406 |
221.4 |
-1.8 |
0.456 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
A |
21 |
8 |
5436 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
8 |
5319 |
208.6 |
-2.1 |
0.350 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
R |
25 |
7 |
23867 |
◊ |
Q |
x-1,y,z |
1_455 |
25 |
5 |
23779 |
208.1 |
-7.7 |
0.653 |
0 |
0 |
0 |
0.000 |
24 |
|
Q |
25 |
7 |
23779 |
◊ |
R |
x-1,y,z |
1_455 |
25 |
5 |
23867 |
201.7 |
-6.7 |
0.706 |
0 |
0 |
0 |
0.000 |
Average: |
204.9 |
-7.2 |
0.679 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
Q |
24 |
6 |
23779 |
◊ |
P |
x-1,y,z |
1_455 |
33 |
7 |
23853 |
197.0 |
-8.4 |
0.603 |
1 |
0 |
0 |
0.000 |
26 |
|
R |
21 |
5 |
23867 |
◊ |
S |
x-1,y,z |
1_455 |
28 |
6 |
23907 |
165.1 |
-7.7 |
0.597 |
1 |
0 |
0 |
0.000 |
Average: |
181.0 |
-8.0 |
0.600 |
1 |
0 |
0 |
0.000 |
18 |
27 |
|
R |
28 |
2 |
23867 |
◊ |
Q |
-x,y-1/2,-z+1 |
2_546 |
29 |
3 |
23779 |
195.9 |
0.3 |
0.956 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[A2M]E:0 |
19 |
1 |
487 |
◊ |
P |
x,y,z |
1_555 |
22 |
6 |
23853 |
187.4 |
-3.2 |
0.534 |
2 |
0 |
0 |
0.048 |
29 |
|
[A2M]G:0 |
20 |
1 |
490 |
◊ |
R |
x,y,z |
1_555 |
22 |
6 |
23867 |
185.9 |
-3.6 |
0.539 |
0 |
0 |
0 |
0.048 |
30 |
|
[A2M]H:0 |
20 |
1 |
486 |
◊ |
S |
x,y,z |
1_555 |
23 |
6 |
23907 |
183.1 |
-3.4 |
0.547 |
1 |
0 |
0 |
0.048 |
Average: |
185.5 |
-3.4 |
0.540 |
1 |
0 |
0 |
0.048 |
20 |
31 |
|
[A2M]F:0 |
18 |
1 |
506 |
cf |
F |
x,y,z |
1_555 |
22 |
3 |
3243 |
183.7 |
-1.6 |
0.522 |
0 |
0 |
0 |
0.100 |
21 |
32 |
|
[GLP]H:5004 |
14 |
1 |
384 |
f |
S |
x,y,z |
1_555 |
28 |
11 |
23907 |
180.4 |
-2.9 |
0.751 |
3 |
0 |
0 |
0.090 |
33 |
|
[GLP]P:5001 |
14 |
1 |
383 |
f |
P |
x,y,z |
1_555 |
26 |
11 |
23853 |
176.0 |
-2.8 |
0.746 |
3 |
0 |
0 |
0.090 |
Average: |
178.2 |
-2.8 |
0.749 |
3 |
0 |
0 |
0.090 |
22 |
34 |
|
[GLP]G:5003 |
13 |
1 |
385 |
f |
R |
x,y,z |
1_555 |
26 |
11 |
23867 |
180.0 |
-2.9 |
0.742 |
5 |
0 |
0 |
0.093 |
35 |
|
[GLP]F:5002 |
14 |
1 |
383 |
f |
Q |
x,y,z |
1_555 |
28 |
11 |
23779 |
175.3 |
-2.3 |
0.768 |
3 |
0 |
0 |
0.093 |
Average: |
177.6 |
-2.6 |
0.755 |
4 |
0 |
0 |
0.093 |
23 |
36 |
|
R |
21 |
7 |
23867 |
x |
R |
x-1,y,z |
1_455 |
22 |
6 |
23867 |
173.7 |
-8.3 |
0.537 |
0 |
0 |
0 |
0.000 |
37 |
|
Q |
21 |
7 |
23779 |
x |
Q |
x-1,y,z |
1_455 |
20 |
6 |
23779 |
162.5 |
-7.6 |
0.549 |
0 |
0 |
0 |
0.000 |
Average: |
168.1 |
-7.9 |
0.543 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[A2M]F:0 |
17 |
1 |
506 |
◊ |
Q |
x,y,z |
1_555 |
20 |
8 |
23779 |
173.5 |
-1.9 |
0.624 |
1 |
0 |
0 |
0.027 |
25 |
39 |
|
[A2M]E:0 |
17 |
1 |
487 |
cf |
E |
x,y,z |
1_555 |
19 |
3 |
3066 |
165.2 |
-0.9 |
0.577 |
0 |
0 |
0 |
0.100 |
40 |
|
[A2M]H:0 |
17 |
1 |
486 |
cf |
H |
x,y,z |
1_555 |
19 |
3 |
3052 |
155.1 |
-0.8 |
0.593 |
0 |
0 |
0 |
0.100 |
41 |
|
[A2M]G:0 |
16 |
1 |
490 |
cf |
G |
x,y,z |
1_555 |
20 |
3 |
3199 |
153.7 |
-1.0 |
0.564 |
0 |
0 |
0 |
0.100 |
Average: |
158.0 |
-0.9 |
0.578 |
0 |
0 |
0 |
0.100 |
26 |
42 |
|
S |
19 |
7 |
23907 |
x |
S |
x-1,y,z |
1_455 |
22 |
8 |
23907 |
152.8 |
-7.7 |
0.527 |
0 |
0 |
0 |
0.000 |
43 |
|
P |
18 |
6 |
23853 |
x |
P |
x-1,y,z |
1_455 |
19 |
6 |
23853 |
124.1 |
-5.1 |
0.645 |
0 |
0 |
0 |
0.000 |
Average: |
138.5 |
-6.4 |
0.586 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
F |
15 |
3 |
3243 |
◊ |
E |
x,y,z |
1_555 |
16 |
3 |
3066 |
138.0 |
-0.2 |
0.706 |
6 |
0 |
0 |
0.000 |
45 |
|
H |
15 |
3 |
3052 |
◊ |
G |
x,y,z |
1_555 |
15 |
3 |
3199 |
118.1 |
0.4 |
0.730 |
2 |
0 |
0 |
0.000 |
Average: |
128.1 |
0.1 |
0.718 |
4 |
0 |
0 |
0.001 |
28 |
46 |
|
[GLP]G:5003 |
13 |
1 |
385 |
◊ |
G |
x,y,z |
1_555 |
18 |
3 |
3199 |
125.2 |
-0.2 |
0.748 |
4 |
0 |
0 |
0.025 |
47 |
|
[GLP]F:5002 |
13 |
1 |
383 |
◊ |
F |
x,y,z |
1_555 |
18 |
3 |
3243 |
119.8 |
0.0 |
0.748 |
5 |
0 |
0 |
0.025 |
Average: |
122.5 |
-0.1 |
0.748 |
5 |
0 |
0 |
0.025 |
29 |
48 |
|
[GLP]H:5004 |
13 |
1 |
384 |
◊ |
H |
x,y,z |
1_555 |
18 |
3 |
3052 |
123.8 |
-0.0 |
0.784 |
4 |
0 |
0 |
0.025 |
49 |
|
[GLP]P:5001 |
12 |
1 |
383 |
◊ |
E |
x,y,z |
1_555 |
17 |
3 |
3066 |
120.5 |
-0.4 |
0.739 |
4 |
0 |
0 |
0.025 |
Average: |
122.2 |
-0.2 |
0.761 |
4 |
0 |
0 |
0.025 |
30 |
50 |
|
R |
14 |
3 |
23867 |
◊ |
G |
x-1,y,z |
1_455 |
15 |
1 |
3199 |
108.2 |
-0.3 |
0.763 |
2 |
0 |
0 |
0.000 |
51 |
|
Q |
12 |
3 |
23779 |
◊ |
F |
x-1,y,z |
1_455 |
14 |
1 |
3243 |
104.0 |
0.0 |
0.747 |
2 |
0 |
0 |
0.000 |
Average: |
106.1 |
-0.2 |
0.755 |
2 |
0 |
0 |
0.000 |
31 |
52 |
|
[GTP]R:12 |
18 |
1 |
591 |
◊ |
G |
x,y,z |
1_555 |
14 |
1 |
3199 |
105.9 |
-0.8 |
0.667 |
0 |
0 |
0 |
0.016 |
53 |
|
[GTP]S:12 |
15 |
1 |
600 |
◊ |
H |
x,y,z |
1_555 |
15 |
1 |
3052 |
93.0 |
-0.9 |
0.668 |
1 |
0 |
0 |
0.016 |
54 |
|
[GTP]P:12 |
16 |
1 |
600 |
◊ |
E |
x,y,z |
1_555 |
12 |
1 |
3066 |
88.5 |
-0.7 |
0.672 |
1 |
0 |
0 |
0.016 |
Average: |
95.8 |
-0.8 |
0.669 |
1 |
0 |
0 |
0.016 |
32 |
55 |
|
[GTP]Q:12 |
17 |
1 |
605 |
◊ |
F |
x,y,z |
1_555 |
15 |
1 |
3243 |
104.9 |
-0.3 |
0.696 |
0 |
0 |
0 |
0.003 |
33 |
56 |
|
R |
11 |
2 |
23867 |
◊ |
F |
x,y,z |
1_555 |
12 |
3 |
3243 |
97.8 |
-6.0 |
0.317 |
1 |
0 |
0 |
0.044 |
57 |
|
Q |
8 |
1 |
23779 |
◊ |
G |
x,y,z |
1_555 |
9 |
2 |
3199 |
68.6 |
-3.3 |
0.438 |
2 |
0 |
0 |
0.044 |
Average: |
83.2 |
-4.7 |
0.377 |
2 |
0 |
0 |
0.044 |
34 |
58 |
|
R |
11 |
4 |
23867 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
5610 |
97.7 |
1.2 |
0.842 |
2 |
0 |
0 |
0.003 |
59 |
|
Q |
6 |
2 |
23779 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
5406 |
49.4 |
-0.0 |
0.718 |
2 |
0 |
0 |
0.003 |
Average: |
73.5 |
0.6 |
0.780 |
2 |
0 |
0 |
0.003 |
35 |
60 |
|
[A2M]H:0 |
12 |
1 |
486 |
◊ |
G |
x,y,z |
1_555 |
11 |
1 |
3199 |
85.3 |
2.3 |
0.740 |
1 |
0 |
0 |
0.000 |
61 |
|
[A2M]G:0 |
12 |
1 |
490 |
◊ |
H |
x,y,z |
1_555 |
11 |
1 |
3052 |
83.0 |
2.3 |
0.754 |
1 |
0 |
0 |
0.000 |
62 |
|
[A2M]E:0 |
12 |
1 |
487 |
◊ |
F |
x,y,z |
1_555 |
14 |
1 |
3243 |
82.0 |
3.0 |
0.767 |
1 |
0 |
0 |
0.000 |
Average: |
83.4 |
2.6 |
0.754 |
1 |
0 |
0 |
0.000 |
36 |
63 |
|
[A2M]F:0 |
12 |
1 |
506 |
◊ |
E |
x,y,z |
1_555 |
11 |
1 |
3066 |
83.8 |
2.5 |
0.771 |
0 |
0 |
0 |
0.000 |
37 |
64 |
|
[GTP]Q:12 |
6 |
1 |
605 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
5610 |
75.4 |
-2.7 |
0.296 |
0 |
0 |
0 |
0.047 |
38 |
65 |
|
[GTP]R:12 |
8 |
1 |
591 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
5406 |
72.3 |
-0.1 |
0.510 |
0 |
0 |
0 |
0.002 |
39 |
66 |
|
A |
5 |
2 |
5436 |
◊ |
S |
x,y,z-1 |
1_554 |
9 |
4 |
23907 |
61.6 |
0.5 |
0.805 |
0 |
0 |
0 |
0.000 |
67 |
|
P |
5 |
3 |
23853 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
2 |
5319 |
36.7 |
-0.4 |
0.548 |
0 |
0 |
0 |
0.000 |
Average: |
49.1 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
40 |
68 |
|
P |
8 |
4 |
23853 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
3243 |
58.7 |
-0.9 |
0.628 |
0 |
0 |
0 |
0.000 |
69 |
|
S |
8 |
4 |
23907 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
3199 |
56.4 |
-0.2 |
0.696 |
0 |
0 |
0 |
0.000 |
70 |
|
R |
7 |
4 |
23867 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
3052 |
55.3 |
-0.4 |
0.684 |
0 |
0 |
0 |
0.000 |
71 |
|
Q |
7 |
4 |
23779 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
3066 |
49.4 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
Average: |
54.9 |
-0.3 |
0.682 |
0 |
0 |
0 |
0.000 |
41 |
72 |
|
[MG]S:9004 |
1 |
1 |
98 |
f |
S |
x,y,z |
1_555 |
10 |
5 |
23907 |
58.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.172 |
73 |
|
[MG]R:9002 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
12 |
5 |
23867 |
57.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.172 |
74 |
|
[MG]P:9005 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
11 |
5 |
23853 |
56.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.172 |
75 |
|
[MG]Q:9007 |
1 |
1 |
98 |
f |
Q |
x,y,z |
1_555 |
11 |
5 |
23779 |
53.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.172 |
Average: |
56.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.172 |
42 |
76 |
|
[MG]P:9009 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
7 |
3 |
23853 |
46.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.140 |
77 |
|
[MG]H:9015 |
1 |
1 |
98 |
f |
S |
x,y,z |
1_555 |
8 |
3 |
23907 |
43.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.140 |
78 |
|
[MG]F:9011 |
1 |
1 |
98 |
f |
Q |
x,y,z |
1_555 |
9 |
3 |
23779 |
38.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.140 |
79 |
|
[MG]G:9013 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
8 |
3 |
23867 |
37.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
41.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.140 |
43 |
80 |
|
[MG]Q:9012 |
1 |
1 |
98 |
f |
Q |
x,y,z |
1_555 |
8 |
3 |
23779 |
44.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.155 |
81 |
|
[MG]R:9014 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
8 |
3 |
23867 |
44.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.155 |
82 |
|
[MG]H:9016 |
1 |
1 |
98 |
f |
S |
x,y,z |
1_555 |
8 |
3 |
23907 |
44.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.155 |
83 |
|
[MG]P:9010 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
8 |
3 |
23853 |
43.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.155 |
Average: |
44.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.155 |
44 |
84 |
|
[MG]R:9001 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
7 |
4 |
23867 |
38.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.087 |
85 |
|
[MG]S:9003 |
1 |
1 |
98 |
f |
S |
x,y,z |
1_555 |
7 |
4 |
23907 |
34.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.087 |
86 |
|
[MG]Q:9008 |
1 |
1 |
98 |
f |
Q |
x,y,z |
1_555 |
8 |
4 |
23779 |
34.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.087 |
87 |
|
[MG]P:9006 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
5 |
3 |
23853 |
21.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
32.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.087 |
45 |
88 |
|
B |
3 |
2 |
5610 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
5436 |
37.2 |
1.5 |
0.840 |
1 |
0 |
0 |
0.000 |
46 |
89 |
|
[MG]P:9010 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
3066 |
32.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
90 |
|
[MG]H:9016 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
3052 |
32.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.059 |
91 |
|
[MG]R:9014 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
3199 |
30.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.059 |
92 |
|
[MG]Q:9012 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
3243 |
29.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
31.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
47 |
93 |
|
[MG]G:9013 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
3199 |
31.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.052 |
94 |
|
[MG]F:9011 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
3243 |
29.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.052 |
95 |
|
[MG]H:9015 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
3052 |
24.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.052 |
96 |
|
[MG]P:9009 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
3066 |
20.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
26.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.052 |
48 |
97 |
|
[MG]F:9011 |
1 |
1 |
98 |
◊ |
[A2M]F:0 |
x,y,z |
1_555 |
2 |
1 |
506 |
25.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.044 |
98 |
|
[MG]G:9013 |
1 |
1 |
98 |
◊ |
[A2M]G:0 |
x,y,z |
1_555 |
2 |
1 |
490 |
19.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.044 |
99 |
|
[MG]P:9009 |
1 |
1 |
98 |
◊ |
[A2M]E:0 |
x,y,z |
1_555 |
2 |
1 |
487 |
18.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.044 |
100 |
|
[MG]H:9015 |
1 |
1 |
98 |
◊ |
[A2M]H:0 |
x,y,z |
1_555 |
2 |
1 |
486 |
18.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
20.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.044 |
49 |
101 |
|
[MG]P:9006 |
1 |
1 |
98 |
f |
[GLP]P:5001 |
x,y,z |
1_555 |
4 |
1 |
383 |
25.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.065 |
102 |
|
[MG]S:9003 |
1 |
1 |
98 |
f |
[GLP]H:5004 |
x,y,z |
1_555 |
4 |
1 |
384 |
19.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.065 |
103 |
|
[MG]R:9001 |
1 |
1 |
98 |
f |
[GLP]G:5003 |
x,y,z |
1_555 |
4 |
1 |
385 |
17.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.065 |
104 |
|
[MG]Q:9008 |
1 |
1 |
98 |
f |
[GLP]F:5002 |
x,y,z |
1_555 |
4 |
1 |
383 |
14.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
19.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.065 |
50 |
105 |
|
[MG]Q:9007 |
1 |
1 |
98 |
f |
[GLP]F:5002 |
x,y,z |
1_555 |
3 |
1 |
383 |
23.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
106 |
|
[MG]S:9004 |
1 |
1 |
98 |
f |
[GLP]H:5004 |
x,y,z |
1_555 |
3 |
1 |
384 |
17.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.060 |
107 |
|
[MG]P:9005 |
1 |
1 |
98 |
f |
[GLP]P:5001 |
x,y,z |
1_555 |
3 |
1 |
383 |
17.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.060 |
108 |
|
[MG]R:9002 |
1 |
1 |
98 |
f |
[GLP]G:5003 |
x,y,z |
1_555 |
3 |
1 |
385 |
15.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
18.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.060 |
51 |
109 |
|
C |
1 |
1 |
5406 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
5319 |
19.2 |
1.2 |
0.919 |
0 |
0 |
0 |
0.000 |
52 |
110 |
|
P |
3 |
1 |
23853 |
◊ |
H |
x,y,z-1 |
1_554 |
2 |
1 |
3052 |
13.9 |
-1.2 |
0.413 |
0 |
0 |
0 |
0.011 |
111 |
|
E |
2 |
1 |
3066 |
◊ |
S |
x,y,z-1 |
1_554 |
3 |
1 |
23907 |
13.7 |
-1.1 |
0.416 |
0 |
0 |
0 |
0.011 |
Average: |
13.8 |
-1.1 |
0.414 |
0 |
0 |
0 |
0.011 |
53 |
112 |
|
[GLP]G:5003 |
3 |
1 |
385 |
◊ |
[A2M]G:0 |
x,y,z |
1_555 |
2 |
1 |
490 |
13.5 |
-0.2 |
0.446 |
0 |
0 |
0 |
0.002 |
54 |
113 |
|
[GLP]H:5004 |
3 |
1 |
384 |
◊ |
[A2M]H:0 |
x,y,z |
1_555 |
2 |
1 |
486 |
13.3 |
-0.1 |
0.442 |
0 |
0 |
0 |
0.002 |
114 |
|
[GLP]P:5001 |
3 |
1 |
383 |
◊ |
[A2M]E:0 |
x,y,z |
1_555 |
2 |
1 |
487 |
11.9 |
-0.1 |
0.451 |
0 |
0 |
0 |
0.002 |
Average: |
12.6 |
-0.1 |
0.447 |
0 |
0 |
0 |
0.002 |
55 |
115 |
|
A |
2 |
1 |
5436 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
3 |
5319 |
12.4 |
-0.3 |
0.416 |
0 |
0 |
0 |
0.000 |
56 |
116 |
|
[GLP]F:5002 |
3 |
1 |
383 |
◊ |
[A2M]F:0 |
x,y,z |
1_555 |
2 |
1 |
506 |
11.7 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.001 |
57 |
117 |
|
P |
1 |
1 |
23853 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
5436 |
11.4 |
-0.5 |
0.413 |
0 |
0 |
0 |
0.000 |
118 |
|
S |
1 |
1 |
23907 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
5319 |
4.6 |
-0.2 |
0.434 |
0 |
0 |
0 |
0.000 |
Average: |
8.0 |
-0.3 |
0.423 |
0 |
0 |
0 |
0.000 |
58 |
119 |
|
[GTP]P:12 |
2 |
1 |
600 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
5436 |
11.0 |
-0.7 |
0.382 |
0 |
0 |
0 |
0.005 |
59 |
120 |
|
B |
2 |
1 |
5610 |
◊ |
Q |
x-1,y,z |
1_455 |
1 |
1 |
23779 |
9.1 |
-0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
121 |
|
C |
1 |
1 |
5406 |
◊ |
R |
x-1,y,z |
1_455 |
1 |
1 |
23867 |
0.2 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
Average: |
4.7 |
-0.2 |
0.458 |
0 |
0 |
0 |
0.000 |
60 |
122 |
|
[MG]Q:9007 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
3243 |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
123 |
|
[MG]S:9004 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
3052 |
6.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
124 |
|
[MG]R:9002 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
3199 |
5.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
125 |
|
[MG]P:9005 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
3066 |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
6.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
61 |
126 |
|
[GLP]F:5002 |
1 |
1 |
383 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
23867 |
7.1 |
-0.8 |
0.264 |
0 |
0 |
0 |
0.003 |
|