## |
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 |
|
D |
380 |
102 |
20843 |
◊ |
C |
x,y,z |
1_555 |
375 |
100 |
20995 |
3506.3 |
-36.8 |
0.063 |
58 |
8 |
0 |
0.593 |
2 |
|
J |
373 |
101 |
20669 |
◊ |
I |
x,y,z |
1_555 |
364 |
100 |
20993 |
3484.0 |
-33.9 |
0.077 |
58 |
9 |
0 |
0.593 |
3 |
|
B |
375 |
100 |
20475 |
◊ |
A |
x,y,z |
1_555 |
364 |
100 |
20765 |
3458.9 |
-37.1 |
0.041 |
53 |
9 |
0 |
0.593 |
4 |
|
N |
372 |
101 |
20704 |
◊ |
M |
x,y,z |
1_555 |
361 |
100 |
21012 |
3451.2 |
-38.2 |
0.037 |
58 |
10 |
0 |
0.593 |
Average: |
3475.1 |
-36.5 |
0.054 |
57 |
9 |
0 |
0.593 |
2 |
5 |
|
[FAD]M:501 |
52 |
1 |
995 |
f |
M |
x,y,z |
1_555 |
110 |
43 |
21012 |
717.9 |
-11.1 |
0.324 |
10 |
0 |
0 |
0.280 |
6 |
|
[FAD]D:501 |
51 |
1 |
1002 |
f |
D |
x,y,z |
1_555 |
103 |
44 |
20843 |
715.3 |
-10.6 |
0.356 |
10 |
0 |
0 |
0.280 |
7 |
|
[FAD]N:501 |
52 |
1 |
993 |
f |
N |
x,y,z |
1_555 |
109 |
44 |
20704 |
711.0 |
-10.7 |
0.360 |
10 |
0 |
0 |
0.280 |
8 |
|
[FAD]A:501 |
51 |
1 |
998 |
f |
A |
x,y,z |
1_555 |
111 |
45 |
20765 |
701.8 |
-10.9 |
0.326 |
9 |
0 |
0 |
0.280 |
9 |
|
[FAD]J:501 |
51 |
1 |
998 |
f |
J |
x,y,z |
1_555 |
107 |
44 |
20669 |
698.3 |
-10.5 |
0.336 |
10 |
0 |
0 |
0.280 |
10 |
|
[FAD]I:501 |
51 |
1 |
994 |
f |
I |
x,y,z |
1_555 |
107 |
44 |
20993 |
698.0 |
-11.0 |
0.318 |
10 |
0 |
0 |
0.280 |
11 |
|
[FAD]B:501 |
51 |
1 |
994 |
f |
B |
x,y,z |
1_555 |
107 |
43 |
20475 |
674.8 |
-10.5 |
0.313 |
10 |
0 |
0 |
0.280 |
12 |
|
[FAD]C:501 |
52 |
1 |
1000 |
f |
C |
x,y,z |
1_555 |
105 |
44 |
20995 |
670.0 |
-10.3 |
0.327 |
10 |
0 |
0 |
0.280 |
Average: |
698.4 |
-10.7 |
0.332 |
10 |
0 |
0 |
0.280 |
3 |
13 |
|
A |
51 |
14 |
20765 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
51 |
14 |
20475 |
453.2 |
-1.6 |
0.565 |
3 |
0 |
0 |
0.000 |
4 |
14 |
|
I |
40 |
10 |
20993 |
◊ |
C |
x,y,z |
1_555 |
43 |
13 |
20995 |
371.8 |
-3.6 |
0.364 |
2 |
3 |
0 |
0.000 |
5 |
15 |
|
B |
39 |
12 |
20475 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
34 |
11 |
20843 |
353.7 |
-3.4 |
0.243 |
1 |
2 |
0 |
0.000 |
16 |
|
N |
25 |
8 |
20704 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
10 |
20765 |
256.6 |
-0.1 |
0.573 |
3 |
3 |
0 |
0.000 |
Average: |
305.1 |
-1.8 |
0.408 |
2 |
3 |
0 |
0.000 |
6 |
17 |
|
C |
42 |
16 |
20995 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
20765 |
330.7 |
-1.6 |
0.566 |
4 |
0 |
0 |
0.000 |
18 |
|
B |
45 |
16 |
20475 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
41 |
16 |
21012 |
328.0 |
-1.8 |
0.453 |
4 |
0 |
0 |
0.000 |
Average: |
329.3 |
-1.7 |
0.510 |
4 |
0 |
0 |
0.000 |
7 |
19 |
|
[WPM]C:502 |
24 |
1 |
593 |
◊ |
C |
x,y,z |
1_555 |
35 |
14 |
20995 |
263.2 |
0.7 |
0.415 |
1 |
0 |
0 |
0.000 |
20 |
|
[WPM]A:503 |
24 |
1 |
591 |
◊ |
B |
x,y,z |
1_555 |
37 |
14 |
20475 |
262.2 |
0.9 |
0.441 |
1 |
0 |
0 |
0.000 |
21 |
|
[WPM]M:502 |
24 |
1 |
592 |
◊ |
M |
x,y,z |
1_555 |
36 |
13 |
21012 |
261.2 |
0.8 |
0.422 |
1 |
0 |
0 |
0.000 |
22 |
|
[WPM]A:502 |
24 |
1 |
593 |
◊ |
A |
x,y,z |
1_555 |
38 |
14 |
20765 |
261.1 |
0.8 |
0.418 |
1 |
0 |
0 |
0.000 |
23 |
|
[WPM]J:503 |
25 |
1 |
593 |
◊ |
I |
x,y,z |
1_555 |
34 |
13 |
20993 |
256.7 |
0.1 |
0.368 |
1 |
0 |
0 |
0.000 |
24 |
|
[WPM]D:502 |
24 |
1 |
591 |
◊ |
D |
x,y,z |
1_555 |
39 |
14 |
20843 |
251.0 |
0.6 |
0.452 |
1 |
0 |
0 |
0.000 |
25 |
|
[WPM]J:502 |
25 |
1 |
592 |
◊ |
J |
x,y,z |
1_555 |
33 |
13 |
20669 |
250.8 |
0.2 |
0.352 |
1 |
0 |
0 |
0.000 |
26 |
|
[WPM]M:503 |
25 |
1 |
591 |
◊ |
N |
x,y,z |
1_555 |
32 |
12 |
20704 |
250.2 |
0.1 |
0.348 |
1 |
0 |
0 |
0.000 |
Average: |
257.1 |
0.5 |
0.402 |
1 |
0 |
0 |
0.000 |
8 |
27 |
|
[WPM]M:502 |
24 |
1 |
592 |
◊ |
N |
x,y,z |
1_555 |
39 |
12 |
20704 |
231.1 |
1.5 |
0.528 |
3 |
0 |
0 |
0.000 |
28 |
|
[WPM]C:502 |
23 |
1 |
593 |
◊ |
D |
x,y,z |
1_555 |
37 |
11 |
20843 |
230.3 |
1.3 |
0.534 |
3 |
0 |
0 |
0.000 |
29 |
|
[WPM]J:503 |
23 |
1 |
593 |
◊ |
J |
x,y,z |
1_555 |
40 |
11 |
20669 |
229.0 |
1.5 |
0.552 |
3 |
0 |
0 |
0.000 |
30 |
|
[WPM]A:503 |
23 |
1 |
591 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
20765 |
228.4 |
1.2 |
0.515 |
3 |
0 |
0 |
0.000 |
31 |
|
[WPM]A:502 |
23 |
1 |
593 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
20475 |
227.9 |
1.4 |
0.508 |
3 |
0 |
0 |
0.000 |
32 |
|
[WPM]J:502 |
23 |
1 |
592 |
◊ |
I |
x,y,z |
1_555 |
40 |
11 |
20993 |
224.4 |
1.2 |
0.526 |
3 |
0 |
0 |
0.000 |
33 |
|
[WPM]M:503 |
23 |
1 |
591 |
◊ |
M |
x,y,z |
1_555 |
39 |
11 |
21012 |
222.0 |
1.3 |
0.528 |
3 |
0 |
0 |
0.000 |
34 |
|
[WPM]D:502 |
23 |
1 |
591 |
◊ |
C |
x,y,z |
1_555 |
38 |
11 |
20995 |
217.4 |
1.2 |
0.519 |
3 |
0 |
0 |
0.000 |
Average: |
226.3 |
1.3 |
0.526 |
3 |
0 |
0 |
0.000 |
9 |
35 |
|
I |
21 |
7 |
20993 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
20475 |
198.3 |
-2.0 |
0.282 |
4 |
0 |
0 |
0.000 |
10 |
36 |
|
I |
18 |
8 |
20993 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
24 |
10 |
20843 |
187.5 |
-1.4 |
0.491 |
2 |
0 |
0 |
0.000 |
11 |
37 |
|
M |
20 |
7 |
21012 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
5 |
20843 |
180.7 |
-1.3 |
0.477 |
2 |
1 |
0 |
0.000 |
12 |
38 |
|
A |
19 |
4 |
20765 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
6 |
21012 |
171.1 |
-0.5 |
0.616 |
1 |
2 |
0 |
0.000 |
39 |
|
C |
19 |
6 |
20995 |
◊ |
B |
x,y,z |
1_555 |
19 |
3 |
20475 |
154.3 |
-1.1 |
0.491 |
1 |
1 |
0 |
0.000 |
Average: |
162.7 |
-0.8 |
0.553 |
1 |
2 |
0 |
0.000 |
13 |
40 |
|
I |
16 |
7 |
20993 |
◊ |
N |
x-1/2,-y-1/2,-z |
4_445 |
21 |
7 |
20704 |
168.7 |
1.0 |
0.797 |
1 |
2 |
0 |
0.000 |
14 |
41 |
|
N |
22 |
9 |
20704 |
◊ |
J |
x,y,z |
1_555 |
22 |
9 |
20669 |
154.8 |
-1.1 |
0.526 |
1 |
0 |
0 |
0.000 |
15 |
42 |
|
J |
14 |
5 |
20669 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
21 |
6 |
20843 |
141.4 |
0.0 |
0.668 |
1 |
1 |
0 |
0.000 |
16 |
43 |
|
[GOL]D:504 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
20843 |
139.1 |
-0.1 |
0.655 |
5 |
0 |
0 |
0.020 |
17 |
44 |
|
M |
21 |
9 |
21012 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
18 |
6 |
20993 |
136.2 |
1.7 |
0.824 |
2 |
1 |
0 |
0.000 |
18 |
45 |
|
[GOL]A:505 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
20765 |
133.9 |
-0.9 |
0.496 |
3 |
0 |
0 |
0.019 |
19 |
46 |
|
[GOL]C:507 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
20995 |
130.5 |
-0.8 |
0.499 |
3 |
0 |
0 |
0.018 |
20 |
47 |
|
[GOL]B:505 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
20475 |
130.5 |
0.2 |
0.620 |
4 |
0 |
0 |
0.014 |
21 |
48 |
|
I |
18 |
7 |
20993 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
20765 |
129.8 |
0.1 |
0.675 |
2 |
0 |
0 |
0.000 |
22 |
49 |
|
[GOL]B:503 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
20475 |
128.1 |
-1.0 |
0.508 |
2 |
0 |
0 |
0.017 |
23 |
50 |
|
[GOL]C:503 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
20995 |
126.0 |
0.2 |
0.646 |
4 |
0 |
0 |
0.013 |
24 |
51 |
|
M |
11 |
5 |
21012 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
14 |
8 |
20669 |
124.9 |
0.3 |
0.720 |
2 |
1 |
0 |
0.000 |
25 |
52 |
|
[GOL]I:505 |
6 |
1 |
214 |
f |
I |
x,y,z |
1_555 |
16 |
10 |
20993 |
124.7 |
-0.9 |
0.505 |
3 |
0 |
0 |
0.020 |
26 |
53 |
|
N |
16 |
8 |
20704 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
20995 |
123.5 |
0.8 |
0.722 |
1 |
1 |
0 |
0.000 |
27 |
54 |
|
[GOL]J:509 |
6 |
1 |
216 |
f |
J |
x,y,z |
1_555 |
17 |
10 |
20669 |
122.9 |
-0.4 |
0.549 |
3 |
0 |
0 |
0.016 |
28 |
55 |
|
[GOL]B:504 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
20475 |
119.7 |
-0.5 |
0.539 |
4 |
0 |
0 |
0.019 |
29 |
56 |
|
[GOL]C:509 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
20995 |
119.4 |
-1.0 |
0.451 |
3 |
0 |
0 |
0.020 |
30 |
57 |
|
[GOL]C:508 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
20843 |
118.3 |
0.6 |
0.703 |
2 |
0 |
0 |
0.002 |
31 |
58 |
|
[GOL]B:506 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20475 |
117.3 |
-0.9 |
0.492 |
2 |
0 |
0 |
0.016 |
32 |
59 |
|
I |
10 |
5 |
20993 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
15 |
9 |
20843 |
114.8 |
1.5 |
0.838 |
2 |
3 |
0 |
0.000 |
33 |
60 |
|
[GOL]A:506 |
6 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
20765 |
112.5 |
-0.4 |
0.603 |
6 |
0 |
0 |
0.027 |
34 |
61 |
|
[GOL]C:506 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
20995 |
111.5 |
-0.4 |
0.579 |
4 |
0 |
0 |
0.019 |
35 |
62 |
|
[GOL]A:507 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
20765 |
109.6 |
-0.6 |
0.546 |
0 |
0 |
0 |
0.005 |
36 |
63 |
|
[GOL]M:504 |
6 |
1 |
216 |
f |
N |
x,y,z |
1_555 |
21 |
7 |
20704 |
107.9 |
0.1 |
0.669 |
3 |
0 |
0 |
0.011 |
37 |
64 |
|
[GOL]B:508 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
20475 |
104.4 |
-0.9 |
0.502 |
2 |
0 |
0 |
0.015 |
38 |
65 |
|
[GOL]M:506 |
6 |
1 |
217 |
f |
M |
x,y,z |
1_555 |
19 |
7 |
21012 |
104.0 |
-0.1 |
0.613 |
1 |
0 |
0 |
0.005 |
39 |
66 |
|
N |
12 |
6 |
20704 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
14 |
7 |
20669 |
102.6 |
-1.3 |
0.397 |
0 |
0 |
0 |
0.000 |
40 |
67 |
|
N |
11 |
3 |
20704 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
20843 |
99.8 |
-0.3 |
0.584 |
1 |
2 |
0 |
0.000 |
41 |
68 |
|
[GOL]M:507 |
5 |
1 |
214 |
f |
M |
x,y,z |
1_555 |
11 |
5 |
21012 |
98.6 |
-1.0 |
0.467 |
1 |
0 |
0 |
0.013 |
42 |
69 |
|
[GOL]B:502 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
20475 |
98.5 |
-0.2 |
0.576 |
4 |
0 |
0 |
0.017 |
43 |
70 |
|
[GOL]N:502 |
6 |
1 |
219 |
f |
N |
x,y,z |
1_555 |
18 |
7 |
20704 |
98.0 |
0.4 |
0.670 |
4 |
0 |
0 |
0.013 |
44 |
71 |
|
[GOL]I:503 |
6 |
1 |
217 |
f |
J |
x,y,z |
1_555 |
20 |
9 |
20669 |
97.0 |
-0.9 |
0.473 |
2 |
0 |
0 |
0.016 |
45 |
72 |
|
[GOL]D:503 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
20843 |
96.9 |
0.3 |
0.669 |
3 |
0 |
0 |
0.009 |
46 |
73 |
|
[GOL]J:508 |
6 |
1 |
215 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
20669 |
96.7 |
-0.2 |
0.555 |
1 |
0 |
0 |
0.006 |
47 |
74 |
|
[GOL]A:504 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20765 |
96.4 |
-1.0 |
0.487 |
3 |
0 |
0 |
0.020 |
48 |
75 |
|
[GOL]C:504 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
20995 |
95.6 |
-1.1 |
0.462 |
2 |
0 |
0 |
0.017 |
49 |
76 |
|
[GOL]J:504 |
6 |
1 |
219 |
f |
J |
x,y,z |
1_555 |
16 |
7 |
20669 |
95.2 |
-0.5 |
0.540 |
4 |
0 |
0 |
0.021 |
50 |
77 |
|
[GOL]J:506 |
6 |
1 |
215 |
f |
J |
x,y,z |
1_555 |
15 |
3 |
20669 |
94.5 |
-1.2 |
0.409 |
1 |
0 |
0 |
0.015 |
51 |
78 |
|
[GOL]I:502 |
6 |
1 |
218 |
◊ |
I |
x,y,z |
1_555 |
14 |
8 |
20993 |
91.4 |
0.2 |
0.685 |
3 |
0 |
0 |
0.010 |
52 |
79 |
|
[GOL]C:505 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
20843 |
90.5 |
-0.9 |
0.498 |
0 |
0 |
0 |
0.008 |
53 |
80 |
|
[GOL]J:505 |
5 |
1 |
217 |
◊ |
I |
x,y,z |
1_555 |
14 |
5 |
20993 |
87.4 |
0.2 |
0.616 |
2 |
0 |
0 |
0.000 |
54 |
81 |
|
[GOL]I:504 |
6 |
1 |
215 |
◊ |
I |
x,y,z |
1_555 |
10 |
5 |
20993 |
84.7 |
0.7 |
0.703 |
2 |
0 |
0 |
0.000 |
55 |
82 |
|
[GOL]N:503 |
6 |
1 |
216 |
f |
M |
x,y,z |
1_555 |
12 |
5 |
21012 |
83.8 |
-0.8 |
0.401 |
2 |
0 |
0 |
0.016 |
56 |
83 |
|
[GOL]A:508 |
5 |
1 |
215 |
cf |
A |
x,y,z |
1_555 |
10 |
3 |
20765 |
83.6 |
-0.2 |
0.603 |
0 |
0 |
0 |
0.001 |
57 |
84 |
|
[GOL]J:506 |
6 |
1 |
215 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
15 |
5 |
20843 |
83.5 |
-0.2 |
0.613 |
3 |
0 |
0 |
0.000 |
58 |
85 |
|
[GOL]B:507 |
6 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
20475 |
83.2 |
0.4 |
0.704 |
1 |
0 |
0 |
0.000 |
59 |
86 |
|
[GOL]M:505 |
6 |
1 |
216 |
f |
M |
x,y,z |
1_555 |
14 |
5 |
21012 |
82.1 |
-0.6 |
0.510 |
3 |
0 |
0 |
0.017 |
60 |
87 |
|
[GOL]J:507 |
5 |
1 |
216 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
20669 |
80.8 |
0.2 |
0.623 |
1 |
0 |
0 |
0.002 |
61 |
88 |
|
[GOL]C:505 |
5 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
20995 |
80.0 |
0.2 |
0.644 |
2 |
0 |
0 |
0.006 |
62 |
89 |
|
[GOL]B:507 |
6 |
1 |
216 |
f |
M |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
5 |
21012 |
77.9 |
0.5 |
0.704 |
2 |
0 |
0 |
0.004 |
63 |
90 |
|
[GOL]I:503 |
5 |
1 |
217 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
20993 |
76.7 |
-0.1 |
0.586 |
1 |
0 |
0 |
0.005 |
64 |
91 |
|
I |
6 |
2 |
20993 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
9 |
2 |
20995 |
76.0 |
-0.2 |
0.413 |
0 |
0 |
0 |
0.000 |
65 |
92 |
|
[GOL]A:504 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
20475 |
75.2 |
-0.6 |
0.517 |
1 |
0 |
0 |
0.009 |
66 |
93 |
|
[GOL]N:503 |
5 |
1 |
216 |
◊ |
N |
x,y,z |
1_555 |
16 |
8 |
20704 |
75.1 |
-0.4 |
0.498 |
1 |
0 |
0 |
0.008 |
67 |
94 |
|
[GOL]N:502 |
5 |
1 |
219 |
◊ |
M |
x,y,z |
1_555 |
14 |
5 |
21012 |
73.4 |
-1.3 |
0.341 |
0 |
0 |
0 |
0.012 |
68 |
95 |
|
[GOL]D:503 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
20995 |
72.9 |
-1.4 |
0.373 |
0 |
0 |
0 |
0.012 |
69 |
96 |
|
[GOL]I:504 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
20995 |
71.2 |
-0.5 |
0.516 |
1 |
0 |
0 |
0.008 |
70 |
97 |
|
[GOL]B:502 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
20765 |
70.7 |
-1.0 |
0.436 |
1 |
0 |
0 |
0.013 |
71 |
98 |
|
[GOL]A:508 |
4 |
1 |
215 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
20475 |
69.4 |
-1.0 |
0.416 |
0 |
0 |
0 |
0.000 |
72 |
99 |
|
[GOL]C:504 |
5 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
20843 |
69.2 |
-0.7 |
0.483 |
1 |
0 |
0 |
0.010 |
73 |
100 |
|
[GOL]I:502 |
6 |
1 |
218 |
f |
J |
x,y,z |
1_555 |
15 |
5 |
20669 |
69.0 |
-0.9 |
0.433 |
1 |
0 |
0 |
0.012 |
74 |
101 |
|
[GOL]J:504 |
5 |
1 |
219 |
◊ |
I |
x,y,z |
1_555 |
13 |
5 |
20993 |
67.8 |
-1.1 |
0.447 |
0 |
0 |
0 |
0.010 |
75 |
102 |
|
[GOL]C:508 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
20995 |
67.6 |
0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
76 |
103 |
|
[GOL]M:504 |
5 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
11 |
4 |
21012 |
65.1 |
0.3 |
0.626 |
2 |
0 |
0 |
0.005 |
77 |
104 |
|
[GOL]M:506 |
4 |
1 |
217 |
◊ |
N |
x,y,z |
1_555 |
11 |
4 |
20704 |
63.1 |
-0.2 |
0.503 |
0 |
0 |
0 |
0.002 |
78 |
105 |
|
[GOL]B:506 |
5 |
1 |
215 |
f |
[FAD]B:501 |
x,y,z |
1_555 |
16 |
1 |
994 |
59.9 |
0.3 |
0.669 |
0 |
0 |
0 |
0.000 |
79 |
106 |
|
[GOL]M:505 |
5 |
1 |
216 |
◊ |
N |
x,y,z |
1_555 |
16 |
5 |
20704 |
59.2 |
-0.3 |
0.521 |
1 |
0 |
0 |
0.007 |
80 |
107 |
|
[GOL]C:507 |
5 |
1 |
217 |
f |
[FAD]C:501 |
x,y,z |
1_555 |
16 |
1 |
1000 |
58.8 |
0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
81 |
108 |
|
[GOL]I:505 |
5 |
1 |
214 |
f |
[FAD]I:501 |
x,y,z |
1_555 |
14 |
1 |
994 |
58.5 |
0.3 |
0.618 |
1 |
0 |
0 |
0.001 |
82 |
109 |
|
[GOL]C:503 |
5 |
1 |
215 |
f |
[FAD]C:501 |
x,y,z |
1_555 |
6 |
1 |
1000 |
58.1 |
-1.2 |
0.441 |
1 |
0 |
0 |
0.014 |
83 |
110 |
|
[GOL]A:505 |
4 |
1 |
216 |
f |
[FAD]A:501 |
x,y,z |
1_555 |
14 |
1 |
998 |
57.8 |
0.3 |
0.601 |
0 |
0 |
0 |
0.000 |
84 |
111 |
|
[GOL]B:504 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
20765 |
53.8 |
0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
85 |
112 |
|
[FAD]M:501 |
6 |
1 |
995 |
◊ |
N |
x,y,z |
1_555 |
7 |
3 |
20704 |
52.3 |
0.1 |
0.541 |
1 |
0 |
0 |
0.007 |
113 |
|
[FAD]J:501 |
7 |
1 |
998 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
20993 |
51.8 |
0.1 |
0.548 |
1 |
0 |
0 |
0.007 |
114 |
|
[FAD]D:501 |
7 |
1 |
1002 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
20995 |
51.3 |
0.1 |
0.528 |
1 |
0 |
0 |
0.007 |
115 |
|
[FAD]N:501 |
6 |
1 |
993 |
◊ |
M |
x,y,z |
1_555 |
7 |
3 |
21012 |
50.8 |
0.1 |
0.548 |
1 |
0 |
0 |
0.007 |
116 |
|
[FAD]I:501 |
5 |
1 |
994 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
20669 |
50.1 |
0.1 |
0.515 |
1 |
0 |
0 |
0.007 |
117 |
|
[FAD]A:501 |
6 |
1 |
998 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
20475 |
49.7 |
0.1 |
0.530 |
1 |
0 |
0 |
0.007 |
118 |
|
[FAD]B:501 |
7 |
1 |
994 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
20765 |
48.5 |
0.1 |
0.548 |
1 |
0 |
0 |
0.007 |
119 |
|
[FAD]C:501 |
6 |
1 |
1000 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
20843 |
48.4 |
0.1 |
0.520 |
1 |
0 |
0 |
0.007 |
Average: |
50.4 |
0.1 |
0.535 |
1 |
0 |
0 |
0.007 |
86 |
120 |
|
[GOL]J:509 |
4 |
1 |
216 |
f |
[FAD]J:501 |
x,y,z |
1_555 |
7 |
1 |
998 |
48.0 |
-1.2 |
0.469 |
0 |
0 |
0 |
0.011 |
87 |
121 |
|
J |
8 |
3 |
20669 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
20995 |
47.1 |
-0.3 |
0.565 |
0 |
0 |
0 |
0.000 |
88 |
122 |
|
[GOL]J:505 |
4 |
1 |
217 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
20669 |
46.7 |
0.4 |
0.713 |
0 |
0 |
0 |
0.000 |
89 |
123 |
|
[GOL]J:505 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
20995 |
45.7 |
-0.4 |
0.504 |
1 |
0 |
0 |
0.007 |
90 |
124 |
|
[GOL]B:505 |
4 |
1 |
216 |
f |
[FAD]B:501 |
x,y,z |
1_555 |
6 |
1 |
994 |
39.3 |
-0.7 |
0.538 |
0 |
0 |
0 |
0.006 |
91 |
125 |
|
[GOL]J:508 |
3 |
1 |
215 |
f |
[GOL]J:507 |
x,y,z |
1_555 |
3 |
1 |
216 |
37.6 |
-0.2 |
0.500 |
1 |
0 |
0 |
0.006 |
92 |
126 |
|
[WPM]M:503 |
2 |
1 |
591 |
f |
J |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
20669 |
36.7 |
0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
93 |
127 |
|
[WPM]D:502 |
2 |
1 |
591 |
f |
N |
x,y,z |
1_555 |
4 |
1 |
20704 |
36.1 |
-0.8 |
0.269 |
0 |
0 |
0 |
0.007 |
94 |
128 |
|
[WPM]J:502 |
2 |
1 |
592 |
f |
D |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
20843 |
33.3 |
0.1 |
0.415 |
0 |
0 |
0 |
0.000 |
95 |
129 |
|
[GOL]J:505 |
4 |
1 |
217 |
f |
[GOL]I:504 |
x,y,z |
1_555 |
3 |
1 |
215 |
32.3 |
-0.3 |
0.476 |
0 |
0 |
0 |
0.003 |
96 |
130 |
|
[GOL]B:508 |
2 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
20765 |
29.3 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
97 |
131 |
|
[GOL]M:507 |
2 |
1 |
214 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
20669 |
27.6 |
0.6 |
0.838 |
1 |
0 |
0 |
0.000 |
98 |
132 |
|
J |
3 |
2 |
20669 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
20995 |
26.8 |
0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
99 |
133 |
|
I |
7 |
3 |
20993 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
5 |
4 |
20669 |
26.4 |
0.4 |
0.725 |
0 |
0 |
0 |
0.000 |
100 |
134 |
|
J |
3 |
1 |
20669 |
◊ |
[GOL]C:505 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
216 |
25.9 |
-0.0 |
0.463 |
0 |
0 |
0 |
0.000 |
101 |
135 |
|
[GOL]N:503 |
3 |
1 |
216 |
f |
[GOL]M:505 |
x,y,z |
1_555 |
3 |
1 |
216 |
25.1 |
-0.3 |
0.479 |
0 |
0 |
0 |
0.003 |
102 |
136 |
|
[GOL]M:507 |
3 |
1 |
214 |
◊ |
N |
x,y,z |
1_555 |
4 |
1 |
20704 |
24.2 |
0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
103 |
137 |
|
[GOL]I:503 |
3 |
1 |
217 |
f |
[GOL]I:502 |
x,y,z |
1_555 |
2 |
1 |
218 |
22.5 |
0.3 |
0.661 |
1 |
0 |
0 |
0.000 |
104 |
138 |
|
B |
6 |
3 |
20475 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
20995 |
20.8 |
-0.3 |
0.434 |
0 |
0 |
0 |
0.000 |
139 |
|
M |
4 |
2 |
21012 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
20765 |
18.0 |
0.8 |
0.868 |
1 |
1 |
0 |
0.000 |
Average: |
19.4 |
0.3 |
0.651 |
1 |
1 |
0 |
0.000 |
105 |
140 |
|
[GOL]I:504 |
2 |
1 |
215 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
20669 |
19.0 |
-0.4 |
0.376 |
0 |
0 |
0 |
0.000 |
106 |
141 |
|
[GOL]C:504 |
1 |
1 |
217 |
◊ |
[WPM]D:502 |
x,y,z |
1_555 |
3 |
1 |
591 |
17.6 |
-0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
107 |
142 |
|
[GOL]J:504 |
2 |
1 |
219 |
◊ |
[WPM]J:503 |
x,y,z |
1_555 |
3 |
1 |
593 |
17.3 |
-0.1 |
0.478 |
0 |
0 |
0 |
0.000 |
108 |
143 |
|
N |
3 |
1 |
20704 |
◊ |
[GOL]J:508 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
215 |
16.9 |
0.4 |
0.801 |
0 |
0 |
0 |
0.000 |
109 |
144 |
|
[GOL]N:503 |
1 |
1 |
216 |
f |
[GOL]M:506 |
x,y,z |
1_555 |
2 |
1 |
217 |
15.1 |
0.3 |
0.565 |
1 |
0 |
0 |
0.001 |
110 |
145 |
|
[GOL]B:502 |
1 |
1 |
219 |
◊ |
[WPM]A:502 |
x,y,z |
1_555 |
3 |
1 |
593 |
12.5 |
-0.0 |
0.398 |
0 |
0 |
0 |
0.000 |
111 |
146 |
|
B |
2 |
2 |
20475 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
20843 |
12.0 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
112 |
147 |
|
[GOL]A:504 |
2 |
1 |
218 |
◊ |
[WPM]A:503 |
x,y,z |
1_555 |
3 |
1 |
591 |
10.9 |
-0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
113 |
148 |
|
[GOL]M:505 |
2 |
1 |
216 |
◊ |
[WPM]M:503 |
x,y,z |
1_555 |
3 |
1 |
591 |
10.8 |
-0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
114 |
149 |
|
[GOL]N:502 |
2 |
1 |
219 |
◊ |
[WPM]M:502 |
x,y,z |
1_555 |
2 |
1 |
592 |
8.3 |
-0.1 |
0.441 |
0 |
0 |
0 |
0.000 |
115 |
150 |
|
[GOL]D:503 |
2 |
1 |
218 |
◊ |
[WPM]C:502 |
x,y,z |
1_555 |
2 |
1 |
593 |
7.1 |
-0.0 |
0.441 |
0 |
0 |
0 |
0.000 |
116 |
151 |
|
C |
1 |
1 |
20995 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
20669 |
6.4 |
0.1 |
0.497 |
0 |
0 |
0 |
0.000 |
117 |
152 |
|
[GOL]B:506 |
1 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
20765 |
5.4 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
118 |
153 |
|
[WPM]J:503 |
1 |
1 |
593 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
20995 |
5.3 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
119 |
154 |
|
[GOL]M:506 |
3 |
1 |
217 |
f |
[GOL]M:505 |
x,y,z |
1_555 |
1 |
1 |
216 |
5.0 |
-0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
120 |
155 |
|
[GOL]I:505 |
1 |
1 |
214 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
20669 |
3.4 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
121 |
156 |
|
[GOL]C:506 |
2 |
1 |
214 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
20993 |
3.4 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
122 |
157 |
|
[GOL]I:502 |
1 |
1 |
218 |
◊ |
[WPM]J:502 |
x,y,z |
1_555 |
2 |
1 |
592 |
2.8 |
-0.0 |
0.423 |
0 |
0 |
0 |
0.000 |
123 |
158 |
|
M |
1 |
1 |
21012 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20995 |
2.4 |
0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
124 |
159 |
|
B |
1 |
1 |
20475 |
f |
[WPM]C:502 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
593 |
0.7 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
125 |
160 |
|
[GOL]A:505 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20475 |
0.2 |
0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
|