| ## |
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 |
|
F |
335 |
88 |
19857 |
◊ |
E |
x,y,z |
1_555 |
333 |
88 |
19761 |
3274.3 |
-27.1 |
0.034 |
51 |
8 |
0 |
0.073 |
2 |
|
H |
346 |
92 |
19894 |
◊ |
G |
x,y,z |
1_555 |
342 |
91 |
19868 |
3273.7 |
-26.3 |
0.030 |
49 |
8 |
0 |
0.073 |
3 |
|
D |
338 |
89 |
19793 |
◊ |
C |
x,y,z |
1_555 |
340 |
89 |
19822 |
3254.2 |
-26.6 |
0.031 |
47 |
8 |
0 |
0.073 |
4 |
|
B |
338 |
89 |
19650 |
◊ |
A |
x,y,z |
1_555 |
340 |
90 |
19806 |
3253.1 |
-26.3 |
0.034 |
48 |
8 |
0 |
0.073 |
| Average: |
3263.8 |
-26.6 |
0.032 |
49 |
8 |
0 |
0.073 |
| 2 |
5 |
|
H |
117 |
31 |
19894 |
◊ |
E |
x,y,z |
1_555 |
115 |
31 |
19761 |
1059.7 |
-5.0 |
0.344 |
10 |
14 |
0 |
0.017 |
6 |
|
G |
116 |
30 |
19868 |
◊ |
F |
x,y,z |
1_555 |
116 |
31 |
19857 |
1054.7 |
-6.6 |
0.247 |
9 |
18 |
0 |
0.017 |
7 |
|
D |
112 |
29 |
19793 |
◊ |
A |
x,y,z |
1_555 |
110 |
29 |
19806 |
1006.4 |
-6.0 |
0.264 |
8 |
14 |
0 |
0.017 |
8 |
|
C |
114 |
29 |
19822 |
◊ |
B |
x,y,z |
1_555 |
116 |
30 |
19650 |
1000.5 |
-5.7 |
0.303 |
8 |
14 |
0 |
0.017 |
| Average: |
1030.3 |
-5.8 |
0.290 |
9 |
15 |
0 |
0.017 |
| 3 |
9 |
|
G |
89 |
27 |
19868 |
◊ |
E |
x,y,z |
1_555 |
87 |
27 |
19761 |
744.9 |
-5.3 |
0.245 |
8 |
0 |
0 |
0.012 |
10 |
|
D |
89 |
27 |
19793 |
◊ |
B |
x,y,z |
1_555 |
87 |
26 |
19650 |
741.1 |
-5.3 |
0.243 |
8 |
0 |
0 |
0.012 |
11 |
|
H |
86 |
27 |
19894 |
◊ |
F |
x,y,z |
1_555 |
87 |
26 |
19857 |
736.1 |
-5.3 |
0.229 |
8 |
0 |
0 |
0.012 |
12 |
|
C |
83 |
25 |
19822 |
◊ |
A |
x,y,z |
1_555 |
84 |
25 |
19806 |
728.1 |
-5.0 |
0.234 |
8 |
0 |
0 |
0.012 |
| Average: |
737.5 |
-5.2 |
0.238 |
8 |
0 |
0 |
0.012 |
| 4 |
13 |
|
E |
58 |
20 |
19761 |
◊ |
A |
x,y,z |
1_555 |
52 |
16 |
19806 |
489.5 |
1.1 |
0.678 |
6 |
4 |
0 |
0.000 |
| 5 |
14 |
|
D |
50 |
15 |
19793 |
◊ |
E |
x,y,z-1 |
1_554 |
46 |
13 |
19761 |
401.4 |
3.7 |
0.836 |
4 |
3 |
0 |
0.000 |
| 6 |
15 |
|
A |
38 |
11 |
19806 |
◊ |
G |
x,y-1,z |
1_545 |
45 |
15 |
19868 |
340.4 |
1.7 |
0.750 |
5 |
1 |
0 |
0.000 |
| 7 |
16 |
|
C |
34 |
10 |
19822 |
◊ |
E |
x,y,z-1 |
1_554 |
36 |
9 |
19761 |
293.3 |
0.4 |
0.636 |
3 |
1 |
0 |
0.000 |
| 8 |
17 |
|
B |
30 |
11 |
19650 |
◊ |
G |
x,y-1,z |
1_545 |
40 |
11 |
19868 |
288.6 |
3.2 |
0.845 |
4 |
2 |
0 |
0.000 |
| 9 |
18 |
|
[PE4]A:1493 |
20 |
1 |
567 |
f |
A |
x,y,z |
1_555 |
36 |
15 |
19806 |
287.9 |
0.5 |
0.177 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[PE4]C:1494 |
20 |
1 |
524 |
f |
C |
x,y,z |
1_555 |
34 |
13 |
19822 |
269.0 |
-0.0 |
0.140 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[PE4]H:1492 |
21 |
1 |
548 |
f |
H |
x,y,z |
1_555 |
34 |
14 |
19894 |
261.7 |
-0.2 |
0.139 |
0 |
0 |
0 |
0.000 |
21 |
|
[PE4]F:1493 |
17 |
1 |
540 |
f |
F |
x,y,z |
1_555 |
33 |
14 |
19857 |
250.8 |
0.0 |
0.137 |
0 |
0 |
0 |
0.000 |
| Average: |
256.2 |
-0.1 |
0.138 |
0 |
0 |
0 |
0.000 |
| 12 |
22 |
|
[PE4]E:1493 |
20 |
1 |
514 |
f |
E |
x,y,z |
1_555 |
31 |
12 |
19761 |
254.4 |
2.2 |
0.206 |
0 |
0 |
0 |
0.000 |
| 13 |
23 |
|
[PE4]G:1494 |
21 |
1 |
546 |
f |
G |
x,y,z |
1_555 |
29 |
12 |
19868 |
248.7 |
2.5 |
0.217 |
0 |
0 |
0 |
0.000 |
| 14 |
24 |
|
[PE4]B:1493 |
18 |
1 |
580 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
19650 |
243.3 |
1.1 |
0.165 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[PE4]D:1494 |
20 |
1 |
542 |
f |
D |
x,y,z |
1_555 |
29 |
13 |
19793 |
232.7 |
-0.1 |
0.150 |
1 |
0 |
0 |
0.000 |
| 16 |
26 |
|
F |
18 |
8 |
19857 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
19793 |
225.9 |
1.3 |
0.738 |
1 |
4 |
0 |
0.000 |
| 17 |
27 |
|
D |
23 |
8 |
19793 |
◊ |
D |
-x,y,-z |
2_555 |
24 |
8 |
19793 |
216.9 |
5.7 |
0.974 |
6 |
6 |
0 |
0.000 |
| 18 |
28 |
|
A |
23 |
9 |
19806 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
24 |
10 |
19868 |
216.7 |
4.2 |
0.932 |
2 |
6 |
0 |
0.000 |
| 19 |
29 |
|
C |
25 |
11 |
19822 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
7 |
19868 |
194.6 |
0.7 |
0.689 |
1 |
2 |
0 |
0.000 |
| 20 |
30 |
|
[DTT]D:1491 |
8 |
1 |
297 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
19793 |
170.5 |
-2.2 |
0.487 |
2 |
0 |
0 |
0.004 |
| 21 |
31 |
|
[DTT]H:1491 |
8 |
1 |
293 |
f |
H |
x,y,z |
1_555 |
24 |
10 |
19894 |
168.8 |
-1.8 |
0.461 |
3 |
0 |
0 |
0.010 |
32 |
|
[DTT]B:1491 |
8 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
19650 |
168.5 |
-2.3 |
0.480 |
3 |
0 |
0 |
0.010 |
33 |
|
[DTT]A:1491 |
8 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
19806 |
167.1 |
-2.1 |
0.470 |
3 |
0 |
0 |
0.010 |
34 |
|
[DTT]E:1491 |
8 |
1 |
294 |
f |
E |
x,y,z |
1_555 |
23 |
9 |
19761 |
165.7 |
-1.9 |
0.481 |
3 |
0 |
0 |
0.010 |
| Average: |
167.5 |
-2.0 |
0.473 |
3 |
0 |
0 |
0.010 |
| 22 |
35 |
|
[DTT]G:1491 |
8 |
1 |
296 |
f |
G |
x,y,z |
1_555 |
25 |
11 |
19868 |
168.7 |
-2.1 |
0.489 |
3 |
0 |
0 |
0.005 |
| 23 |
36 |
|
C |
18 |
7 |
19822 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
6 |
19806 |
168.4 |
0.9 |
0.649 |
3 |
1 |
0 |
0.000 |
| 24 |
37 |
|
[DTT]C:1491 |
8 |
1 |
297 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
19822 |
168.4 |
-2.3 |
0.500 |
3 |
0 |
0 |
0.005 |
38 |
|
[DTT]F:1491 |
8 |
1 |
295 |
f |
F |
x,y,z |
1_555 |
23 |
9 |
19857 |
163.6 |
-1.8 |
0.476 |
3 |
0 |
0 |
0.005 |
| Average: |
166.0 |
-2.0 |
0.488 |
3 |
0 |
0 |
0.005 |
| 25 |
39 |
|
[PE4]B:1493 |
13 |
1 |
580 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
19806 |
157.6 |
1.1 |
0.281 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[GOL]C:1498 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
19822 |
149.4 |
-1.5 |
0.423 |
0 |
0 |
0 |
0.002 |
| 27 |
41 |
|
[PE4]G:1494 |
14 |
1 |
546 |
◊ |
H |
x,y,z |
1_555 |
18 |
6 |
19894 |
144.3 |
0.9 |
0.288 |
0 |
0 |
0 |
0.000 |
| 28 |
42 |
|
[GOL]D:1495 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
19793 |
142.3 |
-0.7 |
0.475 |
2 |
0 |
0 |
0.002 |
43 |
|
[GOL]G:1497 |
6 |
1 |
222 |
f |
G |
x,y,z |
1_555 |
24 |
11 |
19868 |
140.2 |
-0.6 |
0.470 |
2 |
0 |
0 |
0.002 |
| Average: |
141.3 |
-0.7 |
0.473 |
2 |
0 |
0 |
0.002 |
| 29 |
44 |
|
[GOL]B:1498 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
19650 |
141.3 |
-1.5 |
0.353 |
1 |
0 |
0 |
0.003 |
| 30 |
45 |
|
[GOL]F:1494 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
24 |
11 |
19857 |
140.4 |
-1.1 |
0.429 |
2 |
0 |
0 |
0.006 |
46 |
|
[GOL]E:1494 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
25 |
12 |
19761 |
140.2 |
-1.1 |
0.423 |
2 |
0 |
0 |
0.006 |
47 |
|
[GOL]B:1494 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
19650 |
133.6 |
-1.0 |
0.421 |
2 |
0 |
0 |
0.006 |
| Average: |
138.1 |
-1.1 |
0.424 |
2 |
0 |
0 |
0.006 |
| 31 |
48 |
|
[GOL]A:1494 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
19806 |
139.4 |
-1.2 |
0.407 |
1 |
0 |
0 |
0.002 |
| 32 |
49 |
|
B |
19 |
6 |
19650 |
◊ |
H |
x,y-1,z-1 |
1_544 |
15 |
7 |
19894 |
137.5 |
3.1 |
0.908 |
1 |
2 |
0 |
0.000 |
| 33 |
50 |
|
[GOL]C:1495 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
25 |
11 |
19822 |
136.9 |
-1.3 |
0.408 |
2 |
0 |
0 |
0.003 |
| 34 |
51 |
|
[PE4]D:1494 |
12 |
1 |
542 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
19822 |
136.6 |
1.4 |
0.408 |
0 |
0 |
0 |
0.000 |
| 35 |
52 |
|
[GOL]G:1495 |
6 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
20 |
6 |
19868 |
136.1 |
0.2 |
0.599 |
1 |
0 |
0 |
0.000 |
| 36 |
53 |
|
A |
14 |
5 |
19806 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
8 |
19761 |
133.9 |
-0.4 |
0.437 |
0 |
0 |
0 |
0.000 |
| 37 |
54 |
|
[GOL]B:1495 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
19650 |
132.9 |
0.1 |
0.588 |
1 |
0 |
0 |
0.000 |
| 38 |
55 |
|
[GOL]C:1497 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
19822 |
131.9 |
-0.3 |
0.550 |
0 |
0 |
0 |
0.000 |
| 39 |
56 |
|
[PE4]F:1493 |
12 |
1 |
540 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
19761 |
131.8 |
1.2 |
0.318 |
0 |
0 |
0 |
0.000 |
57 |
|
[PE4]H:1492 |
11 |
1 |
548 |
◊ |
G |
x,y,z |
1_555 |
18 |
7 |
19868 |
131.8 |
1.6 |
0.421 |
1 |
0 |
0 |
0.000 |
| Average: |
131.8 |
1.4 |
0.369 |
1 |
0 |
0 |
0.000 |
| 40 |
58 |
|
[PE4]A:1493 |
11 |
1 |
567 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
19650 |
128.2 |
2.2 |
0.482 |
0 |
0 |
0 |
0.000 |
| 41 |
59 |
|
[PE4]E:1493 |
10 |
1 |
514 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
19857 |
127.2 |
1.9 |
0.439 |
0 |
0 |
0 |
0.000 |
| 42 |
60 |
|
[GOL]D:1496 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
19793 |
127.0 |
-0.2 |
0.587 |
0 |
0 |
0 |
0.000 |
| 43 |
61 |
|
[GOL]G:1496 |
6 |
1 |
220 |
f |
G |
x,y,z |
1_555 |
17 |
6 |
19868 |
126.8 |
0.1 |
0.633 |
2 |
0 |
0 |
0.001 |
| 44 |
62 |
|
[GOL]F:1495 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
18 |
6 |
19857 |
125.2 |
-0.9 |
0.408 |
2 |
0 |
0 |
0.003 |
| 45 |
63 |
|
[K]E:1496 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
19761 |
117.8 |
-103.8 |
0.000 |
0 |
0 |
0 |
0.302 |
64 |
|
[K]H:1495 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
19894 |
117.0 |
-105.3 |
0.000 |
0 |
0 |
0 |
0.302 |
65 |
|
[K]C:1499 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
19822 |
116.8 |
-105.3 |
0.000 |
0 |
0 |
0 |
0.302 |
66 |
|
[K]G:1498 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
10 |
6 |
19868 |
116.5 |
-104.6 |
0.000 |
0 |
0 |
0 |
0.302 |
67 |
|
[K]F:1496 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
19857 |
116.3 |
-104.9 |
0.000 |
0 |
0 |
0 |
0.302 |
68 |
|
[K]D:1497 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
19793 |
116.0 |
-104.9 |
0.000 |
0 |
0 |
0 |
0.302 |
69 |
|
[K]A:1497 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
19806 |
115.5 |
-105.6 |
0.000 |
0 |
0 |
0 |
0.302 |
70 |
|
[K]B:1499 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
19650 |
115.2 |
-104.8 |
0.000 |
0 |
0 |
0 |
0.302 |
| Average: |
116.4 |
-104.9 |
0.000 |
0 |
0 |
0 |
0.302 |
| 46 |
71 |
|
B |
14 |
6 |
19650 |
◊ |
B |
-x,y,-z |
2_555 |
14 |
6 |
19650 |
117.5 |
2.8 |
0.908 |
2 |
4 |
0 |
0.000 |
| 47 |
72 |
|
[EDO]F:1492 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
21 |
11 |
19857 |
113.9 |
2.0 |
0.307 |
1 |
0 |
0 |
0.000 |
| 48 |
73 |
|
[EDO]E:1492 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
21 |
11 |
19761 |
113.6 |
2.7 |
0.320 |
0 |
0 |
0 |
0.000 |
| 49 |
74 |
|
[EDO]G:1492 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
22 |
11 |
19868 |
113.0 |
2.2 |
0.319 |
1 |
0 |
0 |
0.000 |
| 50 |
75 |
|
[EDO]C:1493 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
19822 |
112.7 |
2.8 |
0.332 |
0 |
0 |
0 |
0.000 |
| 51 |
76 |
|
[PE4]C:1494 |
13 |
1 |
524 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
19793 |
108.2 |
2.3 |
0.443 |
0 |
0 |
0 |
0.000 |
| 52 |
77 |
|
[GOL]E:1495 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
19 |
10 |
19761 |
108.0 |
-1.5 |
0.320 |
1 |
0 |
0 |
0.003 |
| 53 |
78 |
|
[EDO]G:1493 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
16 |
10 |
19868 |
104.6 |
2.8 |
0.413 |
2 |
0 |
0 |
0.000 |
| 54 |
79 |
|
[K]D:1498 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
19822 |
104.1 |
-57.9 |
0.000 |
0 |
0 |
0 |
0.162 |
80 |
|
[K]G:1499 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
18 |
7 |
19894 |
102.9 |
-57.7 |
0.000 |
0 |
0 |
0 |
0.162 |
81 |
|
[K]B:1500 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
19806 |
102.6 |
-57.3 |
0.000 |
0 |
0 |
0 |
0.162 |
82 |
|
[K]A:1498 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
19650 |
102.2 |
-56.9 |
0.000 |
0 |
0 |
0 |
0.162 |
83 |
|
[K]C:1500 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
19793 |
99.5 |
-54.9 |
0.000 |
0 |
0 |
0 |
0.162 |
84 |
|
[K]F:1497 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
19761 |
99.3 |
-54.9 |
0.000 |
0 |
0 |
0 |
0.162 |
85 |
|
[K]E:1497 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
19857 |
98.6 |
-54.4 |
0.000 |
0 |
0 |
0 |
0.162 |
86 |
|
[K]H:1494 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
17 |
7 |
19868 |
97.3 |
-54.1 |
0.000 |
0 |
0 |
0 |
0.162 |
| Average: |
100.8 |
-56.0 |
0.000 |
0 |
0 |
0 |
0.162 |
| 55 |
87 |
|
[GOL]B:1497 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
19650 |
102.7 |
0.2 |
0.606 |
4 |
0 |
0 |
0.002 |
| 56 |
88 |
|
[GOL]C:1496 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
19822 |
100.4 |
-0.9 |
0.474 |
1 |
0 |
0 |
0.002 |
| 57 |
89 |
|
[EDO]D:1493 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
19793 |
98.4 |
2.6 |
0.527 |
0 |
0 |
0 |
0.000 |
| 58 |
90 |
|
[EDO]A:1492 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
19806 |
93.0 |
2.1 |
0.215 |
1 |
0 |
0 |
0.000 |
| 59 |
91 |
|
[EDO]D:1492 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
19793 |
92.7 |
2.8 |
0.290 |
4 |
0 |
0 |
0.000 |
| 60 |
92 |
|
[K]B:1501 |
1 |
1 |
216 |
f |
[PE4]B:1493 |
x,y,z |
1_555 |
18 |
1 |
580 |
91.7 |
-72.0 |
0.000 |
0 |
0 |
0 |
0.214 |
93 |
|
[K]H:1496 |
1 |
1 |
216 |
f |
[PE4]H:1492 |
x,y,z |
1_555 |
15 |
1 |
548 |
87.2 |
-73.1 |
0.000 |
0 |
0 |
0 |
0.214 |
94 |
|
[K]A:1499 |
1 |
1 |
216 |
f |
[PE4]A:1493 |
x,y,z |
1_555 |
14 |
1 |
567 |
86.2 |
-75.1 |
0.000 |
0 |
0 |
0 |
0.214 |
95 |
|
[K]E:1498 |
1 |
1 |
216 |
f |
[PE4]E:1493 |
x,y,z |
1_555 |
13 |
1 |
514 |
85.3 |
-75.0 |
0.000 |
0 |
0 |
0 |
0.214 |
96 |
|
[K]C:1501 |
1 |
1 |
216 |
f |
[PE4]C:1494 |
x,y,z |
1_555 |
12 |
1 |
524 |
84.6 |
-74.0 |
0.000 |
0 |
0 |
0 |
0.214 |
97 |
|
[K]F:1498 |
1 |
1 |
216 |
f |
[PE4]F:1493 |
x,y,z |
1_555 |
13 |
1 |
540 |
84.1 |
-74.3 |
0.000 |
0 |
0 |
0 |
0.214 |
98 |
|
[K]G:1500 |
1 |
1 |
216 |
f |
[PE4]G:1494 |
x,y,z |
1_555 |
10 |
1 |
546 |
81.0 |
-73.4 |
0.000 |
0 |
0 |
0 |
0.214 |
99 |
|
[K]D:1499 |
1 |
1 |
216 |
f |
[PE4]D:1494 |
x,y,z |
1_555 |
11 |
1 |
542 |
79.3 |
-72.3 |
0.000 |
0 |
0 |
0 |
0.214 |
| Average: |
84.9 |
-73.7 |
0.000 |
0 |
0 |
0 |
0.214 |
| 61 |
100 |
|
[GOL]B:1496 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
19806 |
91.2 |
-0.3 |
0.505 |
3 |
0 |
0 |
0.002 |
| 62 |
101 |
|
[GOL]H:1493 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
19894 |
89.8 |
-0.2 |
0.541 |
2 |
0 |
0 |
0.002 |
| 63 |
102 |
|
[GOL]A:1496 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
19650 |
86.8 |
-0.7 |
0.453 |
3 |
0 |
0 |
0.003 |
| 64 |
103 |
|
[GOL]H:1493 |
6 |
1 |
218 |
◊ |
G |
x,y,z |
1_555 |
13 |
8 |
19868 |
86.7 |
0.2 |
0.560 |
2 |
0 |
0 |
0.001 |
| 65 |
104 |
|
[EDO]B:1492 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
19650 |
86.5 |
1.8 |
0.224 |
1 |
0 |
0 |
0.000 |
| 66 |
105 |
|
[GOL]A:1496 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
19806 |
86.4 |
-0.6 |
0.474 |
3 |
0 |
0 |
0.003 |
| 67 |
106 |
|
[K]E:1497 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
19761 |
84.7 |
-53.7 |
0.000 |
0 |
0 |
0 |
0.154 |
107 |
|
[K]F:1497 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
19857 |
84.6 |
-53.3 |
0.000 |
0 |
0 |
0 |
0.154 |
108 |
|
[K]C:1500 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
19822 |
84.4 |
-53.2 |
0.000 |
0 |
0 |
0 |
0.154 |
109 |
|
[K]H:1494 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
19894 |
82.9 |
-54.0 |
0.000 |
0 |
0 |
0 |
0.154 |
110 |
|
[K]D:1498 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
19793 |
81.3 |
-50.3 |
0.000 |
0 |
0 |
0 |
0.154 |
111 |
|
[K]A:1498 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
19806 |
80.4 |
-51.3 |
0.000 |
0 |
0 |
0 |
0.154 |
112 |
|
[K]G:1499 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
15 |
6 |
19868 |
80.0 |
-50.6 |
0.000 |
0 |
0 |
0 |
0.154 |
113 |
|
[K]B:1500 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
19650 |
79.8 |
-50.9 |
0.000 |
0 |
0 |
0 |
0.154 |
| Average: |
82.3 |
-52.2 |
0.000 |
0 |
0 |
0 |
0.154 |
| 68 |
114 |
|
[GOL]A:1495 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
19806 |
84.2 |
1.2 |
0.803 |
5 |
0 |
0 |
0.000 |
| 69 |
115 |
|
[GOL]B:1496 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
19650 |
74.1 |
1.4 |
0.812 |
3 |
0 |
0 |
0.000 |
| 70 |
116 |
|
[GOL]A:1495 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
19822 |
72.4 |
-1.5 |
0.375 |
0 |
0 |
0 |
0.002 |
| 71 |
117 |
|
[EDO]C:1492 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
19822 |
72.3 |
2.2 |
0.306 |
2 |
0 |
0 |
0.000 |
| 72 |
118 |
|
[GOL]E:1495 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
19806 |
72.0 |
-0.1 |
0.545 |
2 |
0 |
0 |
0.000 |
| 73 |
119 |
|
[K]B:1501 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
19650 |
67.8 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.092 |
120 |
|
[K]G:1500 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
17 |
8 |
19868 |
64.8 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.092 |
121 |
|
[K]H:1496 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
16 |
7 |
19894 |
62.7 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.092 |
122 |
|
[K]C:1501 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
19822 |
62.5 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.092 |
123 |
|
[K]F:1498 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
19857 |
61.6 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.092 |
124 |
|
[K]A:1499 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
19806 |
60.7 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.092 |
125 |
|
[K]E:1498 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
19761 |
60.6 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.092 |
126 |
|
[K]D:1499 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
19793 |
60.1 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
62.6 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.092 |
| 74 |
127 |
|
F |
10 |
4 |
19857 |
◊ |
F |
-x,y,-z+1 |
2_556 |
10 |
4 |
19857 |
55.4 |
-0.7 |
0.452 |
0 |
0 |
0 |
0.000 |
| 75 |
128 |
|
[EDO]C:1492 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
19793 |
47.7 |
1.6 |
0.302 |
1 |
0 |
0 |
0.000 |
| 76 |
129 |
|
[GOL]B:1498 |
5 |
1 |
219 |
f |
[GOL]B:1494 |
x,y,z |
1_555 |
4 |
1 |
219 |
45.8 |
0.4 |
0.619 |
1 |
0 |
0 |
0.000 |
| 77 |
130 |
|
[EDO]C:1492 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
19806 |
45.3 |
0.3 |
0.431 |
0 |
0 |
0 |
0.000 |
| 78 |
131 |
|
C |
4 |
2 |
19822 |
◊ |
G |
x,y-1,z-1 |
1_544 |
5 |
2 |
19868 |
41.0 |
0.9 |
0.839 |
1 |
5 |
0 |
0.000 |
| 79 |
132 |
|
[GOL]G:1497 |
4 |
1 |
222 |
f |
[EDO]G:1492 |
x,y,z |
1_555 |
2 |
1 |
185 |
36.7 |
0.8 |
0.705 |
0 |
0 |
0 |
0.000 |
| 80 |
133 |
|
[GOL]F:1494 |
4 |
1 |
219 |
f |
[EDO]F:1492 |
x,y,z |
1_555 |
2 |
1 |
182 |
35.9 |
1.5 |
0.586 |
0 |
0 |
0 |
0.000 |
| 81 |
134 |
|
D |
4 |
3 |
19793 |
◊ |
H |
x,y,z-1 |
1_554 |
6 |
3 |
19894 |
35.5 |
0.9 |
0.819 |
0 |
0 |
0 |
0.000 |
| 82 |
135 |
|
[EDO]A:1492 |
2 |
1 |
184 |
f |
G |
x,y-1,z |
1_545 |
8 |
3 |
19868 |
34.3 |
0.7 |
0.761 |
0 |
0 |
0 |
0.000 |
| 83 |
136 |
|
[GOL]C:1496 |
5 |
1 |
220 |
◊ |
E |
x,y,z-1 |
1_554 |
4 |
2 |
19761 |
33.8 |
-0.5 |
0.401 |
0 |
0 |
0 |
0.000 |
| 84 |
137 |
|
[PE4]D:1494 |
4 |
1 |
542 |
f |
[EDO]D:1493 |
x,y,z |
1_555 |
3 |
1 |
183 |
32.2 |
0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
| 85 |
138 |
|
[GOL]E:1494 |
4 |
1 |
219 |
f |
[EDO]E:1492 |
x,y,z |
1_555 |
3 |
1 |
183 |
31.9 |
0.6 |
0.804 |
3 |
0 |
0 |
0.001 |
| 86 |
139 |
|
[GOL]A:1494 |
2 |
1 |
218 |
f |
[PE4]A:1493 |
x,y,z |
1_555 |
2 |
1 |
567 |
30.9 |
-0.3 |
0.373 |
0 |
0 |
0 |
0.000 |
| 87 |
140 |
|
[GOL]C:1495 |
3 |
1 |
219 |
f |
[EDO]C:1493 |
x,y,z |
1_555 |
3 |
1 |
183 |
29.4 |
0.6 |
0.791 |
2 |
0 |
0 |
0.000 |
| 88 |
141 |
|
B |
8 |
3 |
19650 |
◊ |
H |
-x,y-1,-z+1 |
2_546 |
2 |
1 |
19894 |
24.5 |
0.5 |
0.673 |
0 |
0 |
0 |
0.000 |
| 89 |
142 |
|
[GOL]D:1496 |
3 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
19857 |
22.2 |
0.2 |
0.609 |
0 |
0 |
0 |
0.000 |
| 90 |
143 |
|
[GOL]G:1496 |
3 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
19857 |
22.1 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
| 91 |
144 |
|
[GOL]C:1495 |
2 |
1 |
219 |
f |
[PE4]C:1494 |
x,y,z |
1_555 |
1 |
1 |
524 |
20.3 |
-0.2 |
0.489 |
0 |
0 |
0 |
0.000 |
| 92 |
145 |
|
H |
5 |
3 |
19894 |
◊ |
F |
-x,y,-z+1 |
2_556 |
4 |
3 |
19857 |
18.0 |
0.8 |
0.820 |
0 |
0 |
0 |
0.000 |
| 93 |
146 |
|
B |
3 |
2 |
19650 |
◊ |
F |
x,y-1,z |
1_545 |
4 |
3 |
19857 |
15.7 |
0.5 |
0.779 |
0 |
0 |
0 |
0.000 |
| 94 |
147 |
|
[EDO]D:1493 |
2 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19822 |
12.7 |
0.5 |
0.937 |
0 |
0 |
0 |
0.000 |
| 95 |
148 |
|
[GOL]E:1494 |
1 |
1 |
219 |
f |
[PE4]E:1493 |
x,y,z |
1_555 |
2 |
1 |
514 |
12.0 |
0.5 |
0.451 |
0 |
0 |
0 |
0.000 |
| 96 |
149 |
|
[GOL]G:1497 |
2 |
1 |
222 |
f |
[PE4]G:1494 |
x,y,z |
1_555 |
2 |
1 |
546 |
10.8 |
0.4 |
0.519 |
0 |
0 |
0 |
0.000 |
| 97 |
150 |
|
[K]H:1496 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
3 |
3 |
19868 |
10.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.011 |
151 |
|
[K]F:1498 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
19761 |
9.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.011 |
152 |
|
[K]C:1501 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
19793 |
8.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.011 |
153 |
|
[K]A:1499 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
19650 |
8.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.011 |
154 |
|
[K]D:1499 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
19822 |
8.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
155 |
|
[K]E:1498 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
19857 |
8.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
156 |
|
[K]G:1500 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
3 |
3 |
19894 |
7.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
157 |
|
[K]B:1501 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
19806 |
6.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
8.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 98 |
158 |
|
[GOL]F:1494 |
1 |
1 |
219 |
f |
[PE4]F:1493 |
x,y,z |
1_555 |
2 |
1 |
540 |
9.5 |
-0.0 |
0.351 |
0 |
0 |
0 |
0.000 |
| 99 |
159 |
|
[GOL]B:1497 |
1 |
1 |
219 |
◊ |
[PE4]A:1493 |
x,y,z |
1_555 |
2 |
1 |
567 |
9.0 |
0.0 |
0.366 |
0 |
0 |
0 |
0.000 |
| 100 |
160 |
|
[K]D:1499 |
1 |
1 |
216 |
f |
[EDO]D:1493 |
x,y,z |
1_555 |
1 |
1 |
183 |
8.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.005 |
| 101 |
161 |
|
E |
1 |
1 |
19761 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
19868 |
6.9 |
-0.2 |
0.269 |
0 |
0 |
0 |
0.000 |
| 102 |
162 |
|
[PE4]C:1494 |
1 |
1 |
524 |
f |
[EDO]D:1492 |
x,y,z |
1_555 |
1 |
1 |
185 |
6.4 |
0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
| 103 |
163 |
|
[GOL]D:1495 |
2 |
1 |
219 |
f |
[PE4]D:1494 |
x,y,z |
1_555 |
2 |
1 |
542 |
5.5 |
-0.0 |
0.439 |
0 |
0 |
0 |
0.000 |
| 104 |
164 |
|
D |
2 |
1 |
19793 |
◊ |
C |
-x,y,-z |
2_555 |
1 |
1 |
19822 |
4.6 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
| 105 |
165 |
|
[GOL]B:1495 |
1 |
1 |
221 |
◊ |
H |
x,y-1,z-1 |
1_544 |
1 |
1 |
19894 |
1.2 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
|