| ## |
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 |
|
T |
693 |
146 |
32925 |
◊ |
S |
x,y,z |
1_555 |
707 |
146 |
32737 |
6665.8 |
-79.8 |
0.986 |
388 |
0 |
0 |
1.000 |
2 |
|
J |
686 |
146 |
32929 |
◊ |
I |
x,y,z |
1_555 |
697 |
146 |
32779 |
6652.5 |
-80.2 |
0.984 |
393 |
0 |
0 |
1.000 |
| Average: |
6659.1 |
-80.0 |
0.985 |
391 |
0 |
0 |
1.000 |
| 2 |
3 |
|
F |
242 |
53 |
6474 |
◊ |
E |
x,y,z |
1_555 |
248 |
60 |
8682 |
2452.1 |
-42.5 |
0.052 |
20 |
6 |
0 |
1.000 |
4 |
|
P |
244 |
54 |
6518 |
◊ |
O |
x,y,z |
1_555 |
244 |
58 |
8525 |
2427.4 |
-42.9 |
0.065 |
18 |
4 |
0 |
1.000 |
5 |
|
B |
242 |
54 |
6362 |
◊ |
A |
x,y,z |
1_555 |
242 |
57 |
8694 |
2414.8 |
-42.3 |
0.057 |
23 |
6 |
0 |
1.000 |
6 |
|
L |
237 |
54 |
6501 |
◊ |
K |
x,y,z |
1_555 |
233 |
57 |
8325 |
2393.4 |
-41.1 |
0.089 |
21 |
5 |
0 |
1.000 |
| Average: |
2421.9 |
-42.2 |
0.066 |
21 |
5 |
0 |
1.000 |
| 3 |
7 |
|
N |
232 |
59 |
7303 |
◊ |
M |
x,y,z |
1_555 |
241 |
57 |
8042 |
2427.1 |
-45.8 |
0.026 |
19 |
1 |
0 |
1.000 |
8 |
|
H |
240 |
59 |
7249 |
◊ |
G |
x,y,z |
1_555 |
237 |
57 |
8062 |
2425.8 |
-45.6 |
0.028 |
18 |
2 |
0 |
1.000 |
9 |
|
D |
236 |
58 |
7347 |
◊ |
C |
x,y,z |
1_555 |
250 |
59 |
8104 |
2387.5 |
-46.1 |
0.025 |
22 |
3 |
0 |
1.000 |
10 |
|
R |
241 |
59 |
7115 |
◊ |
Q |
x,y,z |
1_555 |
238 |
57 |
8020 |
2357.8 |
-45.0 |
0.033 |
19 |
2 |
0 |
1.000 |
| Average: |
2399.5 |
-45.6 |
0.028 |
20 |
2 |
0 |
1.000 |
| 4 |
11 |
|
I |
96 |
20 |
32779 |
◊ |
E |
x,y,z |
1_555 |
66 |
21 |
8682 |
686.1 |
-9.1 |
0.713 |
17 |
0 |
0 |
1.000 |
12 |
|
S |
82 |
18 |
32737 |
◊ |
O |
x,y,z |
1_555 |
72 |
22 |
8525 |
643.8 |
-7.7 |
0.711 |
14 |
0 |
0 |
1.000 |
| Average: |
664.9 |
-8.4 |
0.712 |
16 |
0 |
0 |
1.000 |
| 5 |
13 |
|
T |
84 |
15 |
32925 |
◊ |
O |
x,y,z |
1_555 |
70 |
21 |
8525 |
684.7 |
-11.1 |
0.618 |
18 |
0 |
0 |
1.000 |
14 |
|
J |
78 |
13 |
32929 |
◊ |
E |
x,y,z |
1_555 |
67 |
21 |
8682 |
663.0 |
-11.5 |
0.557 |
15 |
0 |
0 |
1.000 |
| Average: |
673.8 |
-11.3 |
0.587 |
17 |
0 |
0 |
1.000 |
| 6 |
15 |
|
I |
80 |
14 |
32779 |
◊ |
A |
x,y,z |
1_555 |
70 |
22 |
8694 |
663.3 |
-12.7 |
0.526 |
11 |
0 |
0 |
1.000 |
16 |
|
S |
80 |
14 |
32737 |
◊ |
K |
x,y,z |
1_555 |
69 |
21 |
8325 |
658.9 |
-11.3 |
0.603 |
15 |
0 |
0 |
1.000 |
| Average: |
661.1 |
-12.0 |
0.565 |
13 |
0 |
0 |
1.000 |
| 7 |
17 |
|
J |
89 |
18 |
32929 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
8694 |
648.9 |
-7.9 |
0.728 |
11 |
0 |
0 |
1.000 |
18 |
|
T |
86 |
18 |
32925 |
◊ |
K |
x,y,z |
1_555 |
68 |
21 |
8325 |
643.7 |
-8.4 |
0.702 |
14 |
0 |
0 |
1.000 |
| Average: |
646.3 |
-8.2 |
0.715 |
13 |
0 |
0 |
1.000 |
| 8 |
19 |
|
C |
59 |
16 |
8104 |
◊ |
E |
x,y,z |
1_555 |
63 |
18 |
8682 |
635.1 |
-8.7 |
0.279 |
4 |
0 |
0 |
0.586 |
20 |
|
G |
56 |
17 |
8062 |
◊ |
A |
x,y,z |
1_555 |
62 |
18 |
8694 |
614.1 |
-9.2 |
0.238 |
4 |
0 |
0 |
0.586 |
21 |
|
M |
57 |
17 |
8042 |
◊ |
O |
x,y,z |
1_555 |
64 |
18 |
8525 |
607.3 |
-8.1 |
0.289 |
8 |
0 |
0 |
0.586 |
22 |
|
Q |
56 |
17 |
8020 |
◊ |
K |
x,y,z |
1_555 |
60 |
18 |
8325 |
582.2 |
-7.7 |
0.299 |
6 |
0 |
0 |
0.586 |
| Average: |
609.7 |
-8.4 |
0.276 |
6 |
0 |
0 |
0.586 |
| 9 |
23 |
|
O |
59 |
14 |
8525 |
◊ |
K |
x,y,z |
1_555 |
52 |
14 |
8325 |
605.5 |
-13.7 |
0.099 |
0 |
2 |
0 |
1.000 |
24 |
|
E |
60 |
14 |
8682 |
◊ |
A |
x,y,z |
1_555 |
62 |
14 |
8694 |
603.2 |
-12.1 |
0.167 |
1 |
2 |
0 |
1.000 |
| Average: |
604.3 |
-12.9 |
0.133 |
1 |
2 |
0 |
1.000 |
| 10 |
25 |
|
H |
53 |
13 |
7249 |
◊ |
F |
x,y,z |
1_555 |
58 |
12 |
6474 |
526.1 |
-2.4 |
0.701 |
6 |
1 |
0 |
0.042 |
26 |
|
N |
52 |
12 |
7303 |
◊ |
L |
x,y,z |
1_555 |
60 |
11 |
6501 |
525.8 |
-3.5 |
0.646 |
6 |
1 |
0 |
0.042 |
27 |
|
R |
53 |
12 |
7115 |
◊ |
P |
x,y,z |
1_555 |
53 |
11 |
6518 |
513.8 |
-2.9 |
0.695 |
5 |
1 |
0 |
0.042 |
28 |
|
D |
53 |
13 |
7347 |
◊ |
B |
x,y,z |
1_555 |
50 |
11 |
6362 |
506.2 |
-2.1 |
0.633 |
6 |
1 |
0 |
0.042 |
| Average: |
518.0 |
-2.7 |
0.669 |
6 |
1 |
0 |
0.042 |
| 11 |
29 |
|
I |
61 |
13 |
32779 |
◊ |
G |
x,y,z |
1_555 |
59 |
17 |
8062 |
499.5 |
-5.3 |
0.646 |
10 |
0 |
0 |
0.149 |
30 |
|
S |
63 |
12 |
32737 |
◊ |
Q |
x,y,z |
1_555 |
55 |
19 |
8020 |
494.8 |
-3.9 |
0.684 |
11 |
0 |
0 |
0.149 |
| Average: |
497.1 |
-4.6 |
0.665 |
11 |
0 |
0 |
0.149 |
| 12 |
31 |
|
T |
60 |
12 |
32925 |
◊ |
M |
x,y,z |
1_555 |
56 |
17 |
8042 |
488.7 |
-3.7 |
0.700 |
10 |
0 |
0 |
0.159 |
32 |
|
J |
65 |
12 |
32929 |
◊ |
C |
x,y,z |
1_555 |
62 |
20 |
8104 |
476.9 |
-5.9 |
0.696 |
10 |
0 |
0 |
0.159 |
| Average: |
482.8 |
-4.8 |
0.698 |
10 |
0 |
0 |
0.159 |
| 13 |
33 |
|
X |
53 |
13 |
3029 |
◊ |
Q |
x,y,z |
1_555 |
55 |
16 |
8020 |
480.5 |
2.0 |
0.783 |
8 |
17 |
0 |
0.008 |
34 |
|
V |
50 |
12 |
3232 |
◊ |
G |
x,y,z |
1_555 |
54 |
16 |
8062 |
467.1 |
-0.8 |
0.619 |
5 |
9 |
0 |
0.008 |
| Average: |
473.8 |
0.6 |
0.701 |
7 |
13 |
0 |
0.008 |
| 14 |
35 |
|
X |
55 |
12 |
3029 |
◊ |
V |
x,y,z |
1_555 |
50 |
12 |
3232 |
439.9 |
-4.7 |
0.313 |
2 |
0 |
0 |
0.005 |
| 15 |
36 |
|
M |
48 |
16 |
8042 |
◊ |
P |
x,y,z |
1_555 |
47 |
11 |
6518 |
404.6 |
-4.4 |
0.373 |
5 |
0 |
0 |
0.040 |
37 |
|
C |
44 |
16 |
8104 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
6474 |
399.4 |
-4.4 |
0.364 |
5 |
0 |
0 |
0.040 |
38 |
|
G |
45 |
15 |
8062 |
◊ |
B |
x,y,z |
1_555 |
46 |
12 |
6362 |
395.5 |
-4.4 |
0.372 |
5 |
0 |
0 |
0.040 |
39 |
|
Q |
44 |
15 |
8020 |
◊ |
L |
x,y,z |
1_555 |
45 |
11 |
6501 |
378.7 |
-4.2 |
0.384 |
5 |
0 |
0 |
0.040 |
| Average: |
394.5 |
-4.3 |
0.373 |
5 |
0 |
0 |
0.040 |
| 16 |
40 |
|
I |
51 |
11 |
32779 |
◊ |
C |
x,y,z |
1_555 |
41 |
9 |
8104 |
379.0 |
-2.8 |
0.737 |
3 |
0 |
0 |
0.041 |
41 |
|
S |
42 |
9 |
32737 |
◊ |
M |
x,y,z |
1_555 |
40 |
10 |
8042 |
350.8 |
-0.3 |
0.765 |
4 |
0 |
0 |
0.041 |
| Average: |
364.9 |
-1.6 |
0.751 |
4 |
0 |
0 |
0.041 |
| 17 |
42 |
|
S |
42 |
7 |
32737 |
◊ |
P |
x,y,z |
1_555 |
46 |
15 |
6518 |
368.2 |
-8.0 |
0.470 |
7 |
0 |
0 |
0.381 |
43 |
|
I |
44 |
7 |
32779 |
◊ |
F |
x,y,z |
1_555 |
43 |
14 |
6474 |
359.3 |
-6.7 |
0.535 |
7 |
0 |
0 |
0.381 |
| Average: |
363.8 |
-7.4 |
0.503 |
7 |
0 |
0 |
0.381 |
| 18 |
44 |
|
J |
50 |
10 |
32929 |
◊ |
G |
x,y,z |
1_555 |
40 |
11 |
8062 |
366.9 |
-0.2 |
0.804 |
3 |
0 |
0 |
0.038 |
45 |
|
T |
41 |
9 |
32925 |
◊ |
Q |
x,y,z |
1_555 |
41 |
11 |
8020 |
363.1 |
-0.5 |
0.760 |
7 |
0 |
0 |
0.038 |
| Average: |
365.0 |
-0.3 |
0.782 |
5 |
0 |
0 |
0.038 |
| 19 |
46 |
|
T |
44 |
7 |
32925 |
◊ |
L |
x,y,z |
1_555 |
45 |
15 |
6501 |
358.9 |
-6.7 |
0.548 |
6 |
0 |
0 |
0.366 |
47 |
|
J |
42 |
7 |
32929 |
◊ |
B |
x,y,z |
1_555 |
40 |
14 |
6362 |
340.3 |
-6.0 |
0.564 |
6 |
0 |
0 |
0.366 |
| Average: |
349.6 |
-6.3 |
0.556 |
6 |
0 |
0 |
0.366 |
| 20 |
48 |
|
X |
41 |
9 |
3029 |
◊ |
R |
x,y,z |
1_555 |
44 |
11 |
7115 |
355.5 |
-1.5 |
0.613 |
1 |
0 |
0 |
0.004 |
49 |
|
V |
40 |
10 |
3232 |
◊ |
H |
x,y,z |
1_555 |
42 |
11 |
7249 |
311.6 |
-1.6 |
0.586 |
1 |
0 |
0 |
0.004 |
| Average: |
333.6 |
-1.5 |
0.600 |
1 |
0 |
0 |
0.004 |
| 21 |
50 |
|
S |
37 |
7 |
32737 |
◊ |
N |
x,y,z |
1_555 |
35 |
12 |
7303 |
309.5 |
-8.2 |
0.392 |
10 |
0 |
0 |
1.000 |
51 |
|
I |
33 |
7 |
32779 |
◊ |
D |
x,y,z |
1_555 |
33 |
11 |
7347 |
292.9 |
-9.0 |
0.328 |
9 |
0 |
0 |
1.000 |
| Average: |
301.2 |
-8.6 |
0.360 |
10 |
0 |
0 |
1.000 |
| 22 |
52 |
|
T |
36 |
7 |
32925 |
◊ |
R |
x,y,z |
1_555 |
33 |
12 |
7115 |
303.7 |
-7.9 |
0.400 |
9 |
0 |
0 |
0.488 |
53 |
|
J |
31 |
6 |
32929 |
◊ |
H |
x,y,z |
1_555 |
33 |
12 |
7249 |
286.1 |
-9.0 |
0.319 |
8 |
0 |
0 |
0.488 |
| Average: |
294.9 |
-8.5 |
0.359 |
9 |
0 |
0 |
0.488 |
| 23 |
54 |
|
D |
35 |
12 |
7347 |
◊ |
N |
-x+1/2,-y+1,z-1/2 |
2_564 |
37 |
13 |
7303 |
291.0 |
0.6 |
0.861 |
2 |
0 |
0 |
0.000 |
| 24 |
55 |
|
V |
33 |
5 |
3232 |
◊ |
E |
x,y,z |
1_555 |
39 |
9 |
8682 |
285.9 |
-3.2 |
0.393 |
4 |
0 |
0 |
0.009 |
56 |
|
X |
28 |
4 |
3029 |
◊ |
O |
x,y,z |
1_555 |
35 |
7 |
8525 |
276.6 |
-2.8 |
0.362 |
5 |
0 |
0 |
0.009 |
| Average: |
281.2 |
-3.0 |
0.377 |
5 |
0 |
0 |
0.009 |
| 25 |
57 |
|
R |
34 |
11 |
7115 |
◊ |
L |
x,y,z |
1_555 |
28 |
7 |
6501 |
276.9 |
-2.1 |
0.615 |
5 |
0 |
0 |
0.186 |
58 |
|
N |
34 |
11 |
7303 |
◊ |
P |
x,y,z |
1_555 |
30 |
7 |
6518 |
262.4 |
-3.2 |
0.504 |
5 |
0 |
0 |
0.186 |
59 |
|
D |
33 |
10 |
7347 |
◊ |
F |
x,y,z |
1_555 |
29 |
7 |
6474 |
261.2 |
-2.3 |
0.585 |
5 |
0 |
0 |
0.186 |
60 |
|
H |
35 |
11 |
7249 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
6362 |
247.2 |
-2.8 |
0.555 |
4 |
0 |
0 |
0.186 |
| Average: |
261.9 |
-2.6 |
0.565 |
5 |
0 |
0 |
0.186 |
| 26 |
61 |
|
T |
37 |
10 |
32925 |
◊ |
P |
x,y,z |
1_555 |
26 |
10 |
6518 |
268.9 |
-0.7 |
0.778 |
4 |
0 |
0 |
0.035 |
62 |
|
J |
39 |
10 |
32929 |
◊ |
F |
x,y,z |
1_555 |
25 |
10 |
6474 |
266.9 |
-0.8 |
0.779 |
4 |
0 |
0 |
0.035 |
| Average: |
267.9 |
-0.7 |
0.778 |
4 |
0 |
0 |
0.035 |
| 27 |
63 |
|
S |
35 |
7 |
32737 |
◊ |
L |
x,y,z |
1_555 |
25 |
10 |
6501 |
265.1 |
-1.6 |
0.732 |
6 |
0 |
0 |
0.060 |
64 |
|
I |
34 |
7 |
32779 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
6362 |
262.1 |
-1.8 |
0.715 |
6 |
0 |
0 |
0.060 |
| Average: |
263.6 |
-1.7 |
0.723 |
6 |
0 |
0 |
0.060 |
| 28 |
65 |
|
S |
24 |
4 |
32737 |
◊ |
R |
x,y,z |
1_555 |
22 |
9 |
7115 |
215.9 |
-4.8 |
0.483 |
2 |
0 |
0 |
0.016 |
66 |
|
I |
24 |
4 |
32779 |
◊ |
H |
x,y,z |
1_555 |
25 |
8 |
7249 |
210.9 |
-4.8 |
0.485 |
2 |
0 |
0 |
0.016 |
| Average: |
213.4 |
-4.8 |
0.484 |
2 |
0 |
0 |
0.016 |
| 29 |
67 |
|
J |
25 |
4 |
32929 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
7347 |
210.3 |
-4.4 |
0.508 |
3 |
0 |
0 |
0.017 |
68 |
|
T |
24 |
4 |
32925 |
◊ |
N |
x,y,z |
1_555 |
21 |
8 |
7303 |
207.4 |
-4.1 |
0.527 |
4 |
0 |
0 |
0.017 |
| Average: |
208.8 |
-4.2 |
0.517 |
4 |
0 |
0 |
0.017 |
| 30 |
69 |
|
U |
17 |
3 |
797 |
◊ |
C |
x,y,z |
1_555 |
29 |
8 |
8104 |
200.8 |
-0.3 |
0.716 |
4 |
9 |
0 |
0.000 |
| 31 |
70 |
|
W |
16 |
3 |
575 |
◊ |
M |
x,y,z |
1_555 |
29 |
9 |
8042 |
176.5 |
0.9 |
0.620 |
1 |
5 |
0 |
0.000 |
| 32 |
71 |
|
G |
23 |
6 |
8062 |
◊ |
C |
x,y,z |
1_555 |
22 |
5 |
8104 |
163.0 |
1.4 |
0.821 |
4 |
0 |
0 |
0.010 |
72 |
|
Q |
22 |
5 |
8020 |
◊ |
M |
x,y,z |
1_555 |
22 |
5 |
8042 |
147.1 |
1.3 |
0.808 |
0 |
0 |
0 |
0.010 |
| Average: |
155.1 |
1.4 |
0.815 |
2 |
0 |
0 |
0.010 |
| 33 |
73 |
|
V |
16 |
5 |
3232 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
6474 |
139.8 |
2.6 |
0.839 |
1 |
3 |
0 |
0.000 |
74 |
|
X |
13 |
5 |
3029 |
◊ |
P |
x,y,z |
1_555 |
19 |
8 |
6518 |
127.1 |
1.0 |
0.737 |
2 |
4 |
0 |
0.000 |
| Average: |
133.5 |
1.8 |
0.788 |
2 |
4 |
0 |
0.000 |
| 34 |
75 |
|
G |
15 |
6 |
8062 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
8682 |
134.6 |
-0.9 |
0.580 |
0 |
0 |
0 |
0.082 |
76 |
|
Q |
16 |
6 |
8020 |
◊ |
O |
x,y,z |
1_555 |
9 |
4 |
8525 |
113.1 |
-1.9 |
0.338 |
0 |
0 |
0 |
0.082 |
77 |
|
C |
7 |
3 |
8104 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8694 |
56.8 |
-1.2 |
0.230 |
0 |
0 |
0 |
0.082 |
78 |
|
M |
7 |
2 |
8042 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
8325 |
48.1 |
-1.1 |
0.283 |
0 |
0 |
0 |
0.082 |
| Average: |
88.2 |
-1.3 |
0.358 |
0 |
0 |
0 |
0.082 |
| 35 |
79 |
|
W |
11 |
3 |
575 |
◊ |
N |
x,y,z |
1_555 |
16 |
5 |
7303 |
132.1 |
0.8 |
0.665 |
1 |
1 |
0 |
0.000 |
| 36 |
80 |
|
U |
14 |
3 |
797 |
◊ |
D |
x,y,z |
1_555 |
16 |
3 |
7347 |
101.4 |
-1.4 |
0.564 |
0 |
0 |
0 |
0.000 |
| 37 |
81 |
|
D |
11 |
4 |
7347 |
◊ |
W |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
2 |
575 |
94.6 |
0.1 |
0.497 |
0 |
0 |
0 |
0.000 |
| 38 |
82 |
|
C |
11 |
6 |
8104 |
◊ |
N |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
5 |
7303 |
92.3 |
1.9 |
0.836 |
1 |
0 |
0 |
0.000 |
| 39 |
83 |
|
U |
10 |
3 |
797 |
◊ |
M |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
4 |
8042 |
84.8 |
-0.4 |
0.610 |
0 |
0 |
0 |
0.000 |
| 40 |
84 |
|
T |
18 |
6 |
32925 |
◊ |
J |
x,y,z |
1_555 |
17 |
6 |
32929 |
83.4 |
-7.4 |
0.287 |
0 |
0 |
0 |
0.009 |
| 41 |
85 |
|
U |
8 |
3 |
797 |
◊ |
W |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
2 |
575 |
80.6 |
-0.8 |
0.379 |
2 |
2 |
0 |
0.000 |
| 42 |
86 |
|
I |
9 |
2 |
32779 |
◊ |
L |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
3 |
6501 |
69.6 |
-2.9 |
0.357 |
0 |
0 |
0 |
0.000 |
| 43 |
87 |
|
I |
7 |
2 |
32779 |
◊ |
J |
x-1/2,-y+3/2,-z |
4_465 |
8 |
2 |
32929 |
67.0 |
-2.6 |
0.391 |
0 |
0 |
0 |
0.000 |
| 44 |
88 |
|
T |
11 |
4 |
32925 |
x |
T |
x-1,y,z |
1_455 |
5 |
2 |
32925 |
64.8 |
-3.7 |
0.279 |
0 |
0 |
0 |
0.000 |
| 45 |
89 |
|
Q |
7 |
3 |
8020 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
8062 |
61.6 |
2.7 |
0.921 |
0 |
0 |
0 |
0.000 |
| 46 |
90 |
|
D |
8 |
5 |
7347 |
◊ |
M |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
5 |
8042 |
60.3 |
2.0 |
0.887 |
2 |
2 |
0 |
0.000 |
| 47 |
91 |
|
I |
7 |
2 |
32779 |
◊ |
R |
x,y,z |
1_555 |
7 |
2 |
7115 |
59.7 |
-2.8 |
0.318 |
0 |
0 |
0 |
0.007 |
92 |
|
S |
7 |
2 |
32737 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
7249 |
56.6 |
-2.8 |
0.300 |
0 |
0 |
0 |
0.007 |
| Average: |
58.1 |
-2.8 |
0.309 |
0 |
0 |
0 |
0.007 |
| 48 |
93 |
|
S |
12 |
3 |
32737 |
◊ |
I |
x,y,z |
1_555 |
12 |
3 |
32779 |
59.4 |
-3.8 |
0.403 |
0 |
0 |
0 |
0.005 |
| 49 |
94 |
|
I |
7 |
2 |
32779 |
◊ |
T |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
32925 |
58.2 |
-2.4 |
0.383 |
0 |
0 |
0 |
0.000 |
| 50 |
95 |
|
C |
9 |
3 |
8104 |
◊ |
W |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
2 |
575 |
52.9 |
0.2 |
0.628 |
2 |
0 |
0 |
0.000 |
| 51 |
96 |
|
T |
5 |
2 |
32925 |
x |
T |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
2 |
32925 |
52.5 |
-2.5 |
0.397 |
0 |
0 |
0 |
0.000 |
| 52 |
97 |
|
S |
5 |
2 |
32737 |
x |
S |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
32737 |
51.1 |
-1.9 |
0.362 |
0 |
0 |
0 |
0.000 |
| 53 |
98 |
|
F |
7 |
2 |
6474 |
◊ |
O |
x,y,z |
1_555 |
5 |
2 |
8525 |
50.7 |
-0.6 |
0.562 |
0 |
0 |
0 |
0.001 |
99 |
|
P |
7 |
2 |
6518 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
8682 |
48.8 |
-0.4 |
0.609 |
0 |
0 |
0 |
0.001 |
| Average: |
49.8 |
-0.5 |
0.586 |
0 |
0 |
0 |
0.001 |
| 54 |
100 |
|
I |
6 |
1 |
32779 |
x |
I |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
32779 |
48.6 |
-3.4 |
0.242 |
0 |
0 |
0 |
0.000 |
| 55 |
101 |
|
J |
9 |
3 |
32929 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
6 |
2 |
32779 |
44.5 |
-4.0 |
0.260 |
0 |
0 |
0 |
0.000 |
| 56 |
102 |
|
I |
7 |
2 |
32779 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
32929 |
38.8 |
-2.2 |
0.344 |
0 |
0 |
0 |
0.000 |
| 57 |
103 |
|
H |
3 |
2 |
7249 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
8104 |
37.8 |
0.0 |
0.702 |
0 |
0 |
0 |
0.000 |
104 |
|
R |
3 |
2 |
7115 |
◊ |
M |
x,y,z |
1_555 |
6 |
3 |
8042 |
37.3 |
0.2 |
0.699 |
0 |
0 |
0 |
0.000 |
105 |
|
D |
3 |
2 |
7347 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
8062 |
34.1 |
0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
106 |
|
N |
3 |
2 |
7303 |
◊ |
Q |
x,y,z |
1_555 |
6 |
3 |
8020 |
33.0 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
| Average: |
35.5 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
| 58 |
107 |
|
V |
2 |
1 |
3232 |
◊ |
Q |
x,y,z |
1_555 |
7 |
2 |
8020 |
32.9 |
-0.7 |
0.462 |
0 |
0 |
0 |
0.000 |
| 59 |
108 |
|
I |
2 |
2 |
32779 |
◊ |
S |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
32737 |
31.3 |
-2.4 |
0.230 |
0 |
0 |
0 |
0.000 |
| 60 |
109 |
|
V |
4 |
1 |
3232 |
◊ |
R |
x,y,z |
1_555 |
4 |
2 |
7115 |
30.9 |
0.8 |
0.803 |
0 |
0 |
0 |
0.000 |
110 |
|
X |
3 |
1 |
3029 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
7249 |
28.2 |
0.7 |
0.812 |
0 |
0 |
0 |
0.000 |
| Average: |
29.6 |
0.8 |
0.807 |
0 |
0 |
0 |
0.000 |
| 61 |
111 |
|
S |
4 |
2 |
32737 |
◊ |
V |
x,y,z |
1_555 |
4 |
2 |
3232 |
26.6 |
-1.4 |
0.405 |
0 |
0 |
0 |
0.001 |
| 62 |
112 |
|
J |
4 |
2 |
32929 |
◊ |
T |
x-1/2,-y+3/2,-z |
4_465 |
6 |
2 |
32925 |
24.8 |
-2.1 |
0.345 |
0 |
0 |
0 |
0.000 |
| 63 |
113 |
|
J |
3 |
2 |
32929 |
x |
J |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
32929 |
20.9 |
-0.9 |
0.444 |
0 |
0 |
0 |
0.000 |
| 64 |
114 |
|
H |
4 |
3 |
7249 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7347 |
19.9 |
0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
115 |
|
R |
1 |
1 |
7115 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
7303 |
1.6 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
| Average: |
10.7 |
0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
| 65 |
116 |
|
T |
3 |
2 |
32925 |
◊ |
S |
x-1,y,z |
1_455 |
1 |
1 |
32737 |
14.5 |
-1.5 |
0.246 |
0 |
0 |
0 |
0.000 |
| 66 |
117 |
|
J |
1 |
1 |
32929 |
◊ |
S |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
32737 |
12.8 |
-1.3 |
0.225 |
0 |
0 |
0 |
0.000 |
| 67 |
118 |
|
J |
1 |
1 |
32929 |
◊ |
I |
x-1,y,z |
1_455 |
3 |
1 |
32779 |
12.7 |
-1.2 |
0.257 |
0 |
0 |
0 |
0.000 |
| 68 |
119 |
|
T |
4 |
1 |
32925 |
x |
T |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
32925 |
12.6 |
-1.0 |
0.285 |
0 |
0 |
0 |
0.000 |
| 69 |
120 |
|
S |
3 |
1 |
32737 |
x |
S |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
32737 |
11.6 |
-1.1 |
0.263 |
0 |
0 |
0 |
0.000 |
| 70 |
121 |
|
J |
1 |
1 |
32929 |
x |
J |
x-1,y,z |
1_455 |
1 |
1 |
32929 |
10.4 |
-1.1 |
0.175 |
0 |
0 |
0 |
0.000 |
| 71 |
122 |
|
I |
2 |
1 |
32779 |
◊ |
S |
x-1,y,z |
1_455 |
3 |
1 |
32737 |
10.2 |
-1.0 |
0.348 |
0 |
0 |
0 |
0.000 |
| 72 |
123 |
|
J |
1 |
1 |
32929 |
◊ |
S |
x-1,y,z |
1_455 |
2 |
1 |
32737 |
10.2 |
-1.0 |
0.231 |
0 |
0 |
0 |
0.000 |
| 73 |
124 |
|
D |
1 |
1 |
7347 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8694 |
10.0 |
0.5 |
0.884 |
0 |
0 |
0 |
0.000 |
| 74 |
125 |
|
J |
2 |
1 |
32929 |
◊ |
Q |
x,y,z |
1_555 |
2 |
1 |
8020 |
9.7 |
0.3 |
0.681 |
0 |
0 |
0 |
0.000 |
126 |
|
T |
1 |
1 |
32925 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8062 |
3.6 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
| Average: |
6.7 |
0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
| 75 |
127 |
|
I |
3 |
2 |
32779 |
◊ |
S |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
32737 |
6.0 |
-0.5 |
0.279 |
0 |
0 |
0 |
0.000 |
| 76 |
128 |
|
I |
1 |
1 |
32779 |
◊ |
T |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
32925 |
4.7 |
-0.5 |
0.179 |
0 |
0 |
0 |
0.000 |
| 77 |
129 |
|
J |
1 |
1 |
32929 |
◊ |
L |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
6501 |
4.5 |
-0.3 |
0.318 |
0 |
0 |
0 |
0.000 |
| 78 |
130 |
|
B |
1 |
1 |
6362 |
◊ |
S |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
32737 |
2.7 |
-0.2 |
0.310 |
0 |
0 |
0 |
0.000 |
| 79 |
131 |
|
I |
1 |
1 |
32779 |
◊ |
S |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
32737 |
1.0 |
-0.1 |
0.290 |
0 |
0 |
0 |
0.000 |
| 80 |
132 |
|
S |
1 |
1 |
32737 |
◊ |
T |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
32925 |
0.8 |
-0.0 |
0.391 |
0 |
0 |
0 |
0.000 |
|