## |
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 |
205 |
54 |
12811 |
◊ |
S |
x,y,z |
1_555 |
228 |
67 |
17270 |
2073.0 |
-19.5 |
0.228 |
24 |
13 |
0 |
0.576 |
2 |
|
H |
214 |
54 |
12790 |
◊ |
G |
x,y,z |
1_555 |
227 |
66 |
18040 |
2059.2 |
-20.6 |
0.124 |
22 |
14 |
0 |
0.576 |
Average: |
2066.1 |
-20.1 |
0.176 |
23 |
14 |
0 |
0.576 |
2 |
3 |
|
E |
199 |
53 |
17646 |
◊ |
D |
x,y,z |
1_555 |
214 |
59 |
17203 |
1932.9 |
-14.4 |
0.381 |
26 |
12 |
0 |
1.000 |
4 |
|
D |
199 |
55 |
17203 |
◊ |
C |
x,y,z |
1_555 |
206 |
59 |
17423 |
1895.9 |
-16.9 |
0.310 |
23 |
9 |
0 |
1.000 |
5 |
|
R |
193 |
55 |
17571 |
◊ |
Q |
x,y,z |
1_555 |
208 |
60 |
17613 |
1871.7 |
-17.9 |
0.269 |
27 |
10 |
0 |
1.000 |
6 |
|
F |
193 |
55 |
17441 |
◊ |
E |
x,y,z |
1_555 |
209 |
60 |
17646 |
1867.1 |
-15.4 |
0.282 |
25 |
9 |
0 |
1.000 |
7 |
|
Q |
198 |
57 |
17613 |
◊ |
P |
x,y,z |
1_555 |
203 |
60 |
17436 |
1865.0 |
-17.8 |
0.300 |
27 |
11 |
0 |
1.000 |
8 |
|
P |
190 |
54 |
17436 |
◊ |
O |
x,y,z |
1_555 |
202 |
62 |
17396 |
1843.9 |
-17.5 |
0.467 |
21 |
7 |
0 |
1.000 |
9 |
|
C |
196 |
54 |
17423 |
◊ |
B |
x,y,z |
1_555 |
197 |
58 |
17195 |
1842.6 |
-15.3 |
0.422 |
24 |
9 |
0 |
1.000 |
10 |
|
O |
179 |
54 |
17396 |
◊ |
N |
x,y,z |
1_555 |
184 |
56 |
17225 |
1788.0 |
-16.3 |
0.499 |
29 |
8 |
0 |
1.000 |
Average: |
1863.4 |
-16.4 |
0.366 |
25 |
9 |
0 |
1.000 |
3 |
11 |
|
S |
199 |
54 |
17270 |
◊ |
R |
x,y,z |
1_555 |
209 |
61 |
17571 |
1905.0 |
-17.8 |
0.312 |
24 |
7 |
0 |
0.493 |
12 |
|
G |
197 |
52 |
18040 |
◊ |
F |
x,y,z |
1_555 |
210 |
61 |
17441 |
1890.2 |
-18.1 |
0.163 |
28 |
7 |
0 |
0.493 |
Average: |
1897.6 |
-18.0 |
0.238 |
26 |
7 |
0 |
0.493 |
4 |
13 |
|
L |
153 |
18 |
14216 |
◊ |
A |
x,y,z |
1_555 |
136 |
43 |
11519 |
1369.5 |
-21.5 |
0.685 |
21 |
0 |
0 |
0.996 |
14 |
|
X |
143 |
18 |
14112 |
◊ |
M |
x,y,z |
1_555 |
131 |
41 |
10729 |
1316.6 |
-20.9 |
0.718 |
20 |
0 |
0 |
0.996 |
Average: |
1343.1 |
-21.2 |
0.701 |
21 |
0 |
0 |
0.996 |
5 |
15 |
|
U |
147 |
39 |
22359 |
◊ |
T |
x,y,z |
1_555 |
144 |
40 |
12811 |
1338.2 |
-4.6 |
0.675 |
15 |
8 |
0 |
0.223 |
16 |
|
I |
145 |
41 |
22512 |
◊ |
H |
x,y,z |
1_555 |
144 |
42 |
12790 |
1331.6 |
-6.5 |
0.519 |
17 |
5 |
0 |
0.223 |
Average: |
1334.9 |
-5.5 |
0.597 |
16 |
7 |
0 |
0.223 |
6 |
17 |
|
B |
129 |
33 |
17195 |
◊ |
A |
x,y,z |
1_555 |
143 |
40 |
11519 |
1286.5 |
-17.9 |
0.048 |
13 |
2 |
0 |
1.000 |
18 |
|
N |
104 |
29 |
17225 |
◊ |
M |
x,y,z |
1_555 |
115 |
36 |
10729 |
1029.1 |
-15.0 |
0.232 |
7 |
0 |
0 |
1.000 |
Average: |
1157.8 |
-16.5 |
0.140 |
10 |
1 |
0 |
1.000 |
7 |
19 |
|
L |
142 |
9 |
14216 |
◊ |
H |
x,y,z |
1_555 |
161 |
42 |
12790 |
1274.5 |
-5.2 |
0.944 |
27 |
0 |
0 |
0.555 |
20 |
|
X |
142 |
9 |
14112 |
◊ |
T |
x,y,z |
1_555 |
159 |
42 |
12811 |
1272.6 |
-4.8 |
0.947 |
27 |
0 |
0 |
0.555 |
Average: |
1273.6 |
-5.0 |
0.946 |
27 |
0 |
0 |
0.555 |
8 |
21 |
|
L |
141 |
16 |
14216 |
◊ |
G |
x,y,z |
1_555 |
149 |
46 |
18040 |
1220.2 |
-17.8 |
0.707 |
24 |
0 |
0 |
0.536 |
22 |
|
X |
145 |
16 |
14112 |
◊ |
S |
x,y,z |
1_555 |
144 |
45 |
17270 |
1217.3 |
-18.4 |
0.774 |
25 |
0 |
0 |
0.536 |
Average: |
1218.8 |
-18.1 |
0.740 |
25 |
0 |
0 |
0.536 |
9 |
23 |
|
L |
131 |
12 |
14216 |
◊ |
F |
x,y,z |
1_555 |
136 |
44 |
17441 |
1196.6 |
-20.4 |
0.553 |
16 |
0 |
0 |
0.542 |
24 |
|
X |
124 |
12 |
14112 |
◊ |
R |
x,y,z |
1_555 |
125 |
43 |
17571 |
1135.0 |
-18.7 |
0.662 |
21 |
0 |
0 |
0.542 |
Average: |
1165.8 |
-19.6 |
0.608 |
19 |
0 |
0 |
0.542 |
10 |
25 |
|
X |
145 |
13 |
14112 |
◊ |
O |
x,y,z |
1_555 |
133 |
45 |
17396 |
1185.2 |
-17.5 |
0.796 |
17 |
0 |
0 |
1.000 |
26 |
|
L |
134 |
12 |
14216 |
◊ |
C |
x,y,z |
1_555 |
123 |
40 |
17423 |
1105.9 |
-17.8 |
0.668 |
17 |
0 |
0 |
1.000 |
Average: |
1145.6 |
-17.7 |
0.732 |
17 |
0 |
0 |
1.000 |
11 |
27 |
|
L |
135 |
13 |
14216 |
◊ |
E |
x,y,z |
1_555 |
122 |
43 |
17646 |
1138.1 |
-20.2 |
0.590 |
15 |
0 |
0 |
0.515 |
28 |
|
X |
131 |
13 |
14112 |
◊ |
Q |
x,y,z |
1_555 |
128 |
40 |
17613 |
1112.3 |
-21.4 |
0.555 |
17 |
0 |
0 |
0.515 |
Average: |
1125.2 |
-20.8 |
0.573 |
16 |
0 |
0 |
0.515 |
12 |
29 |
|
L |
133 |
12 |
14216 |
◊ |
D |
x,y,z |
1_555 |
121 |
41 |
17203 |
1115.7 |
-21.9 |
0.569 |
19 |
0 |
0 |
0.530 |
30 |
|
X |
130 |
11 |
14112 |
◊ |
P |
x,y,z |
1_555 |
121 |
39 |
17436 |
1097.9 |
-21.0 |
0.681 |
20 |
0 |
0 |
0.530 |
Average: |
1106.8 |
-21.5 |
0.625 |
20 |
0 |
0 |
0.530 |
13 |
31 |
|
L |
67 |
8 |
14216 |
◊ |
B |
x,y,z |
1_555 |
73 |
24 |
17195 |
626.1 |
-12.7 |
0.525 |
9 |
0 |
0 |
1.000 |
32 |
|
X |
67 |
8 |
14112 |
◊ |
N |
x,y,z |
1_555 |
78 |
24 |
17225 |
616.1 |
-12.1 |
0.626 |
6 |
0 |
0 |
1.000 |
Average: |
621.1 |
-12.4 |
0.575 |
8 |
0 |
0 |
1.000 |
14 |
33 |
|
U |
64 |
21 |
22359 |
◊ |
S |
x,y,z |
1_555 |
58 |
19 |
17270 |
598.4 |
-8.0 |
0.170 |
7 |
1 |
0 |
0.202 |
34 |
|
I |
61 |
20 |
22512 |
◊ |
G |
x,y,z |
1_555 |
58 |
22 |
18040 |
597.1 |
-7.4 |
0.109 |
7 |
1 |
0 |
0.202 |
Average: |
597.8 |
-7.7 |
0.139 |
7 |
1 |
0 |
0.202 |
15 |
35 |
|
K |
64 |
13 |
8731 |
◊ |
J |
x,y,z |
1_555 |
54 |
14 |
8740 |
592.6 |
-2.0 |
0.382 |
5 |
3 |
0 |
0.020 |
36 |
|
W |
56 |
12 |
8469 |
◊ |
V |
x,y,z |
1_555 |
50 |
13 |
8095 |
527.9 |
-4.4 |
0.258 |
6 |
2 |
0 |
0.020 |
Average: |
560.2 |
-3.2 |
0.320 |
6 |
3 |
0 |
0.020 |
16 |
37 |
|
K |
58 |
13 |
8731 |
◊ |
I |
x,y,z |
1_555 |
54 |
16 |
22512 |
539.9 |
-6.7 |
0.101 |
2 |
2 |
0 |
0.028 |
38 |
|
W |
57 |
13 |
8469 |
◊ |
U |
x,y,z |
1_555 |
52 |
16 |
22359 |
522.6 |
-7.6 |
0.064 |
1 |
2 |
0 |
0.028 |
Average: |
531.2 |
-7.1 |
0.083 |
2 |
2 |
0 |
0.028 |
17 |
39 |
|
W |
46 |
11 |
8469 |
◊ |
R |
x,y,z |
1_555 |
52 |
14 |
17571 |
481.4 |
0.5 |
0.614 |
4 |
1 |
0 |
0.005 |
40 |
|
K |
45 |
10 |
8731 |
◊ |
F |
x,y,z |
1_555 |
53 |
15 |
17441 |
476.4 |
1.1 |
0.599 |
4 |
1 |
0 |
0.005 |
Average: |
478.9 |
0.8 |
0.607 |
4 |
1 |
0 |
0.005 |
18 |
41 |
|
J |
50 |
15 |
8740 |
◊ |
C |
x,y,z |
1_555 |
42 |
11 |
17423 |
437.4 |
-2.5 |
0.148 |
3 |
3 |
0 |
0.011 |
42 |
|
V |
49 |
12 |
8095 |
◊ |
O |
x,y,z |
1_555 |
48 |
11 |
17396 |
421.3 |
-2.3 |
0.292 |
3 |
0 |
0 |
0.011 |
Average: |
429.4 |
-2.4 |
0.220 |
3 |
2 |
0 |
0.011 |
19 |
43 |
|
E |
42 |
13 |
17646 |
◊ |
I |
x-1,y,z |
1_455 |
46 |
11 |
22512 |
367.1 |
-3.1 |
0.381 |
3 |
0 |
0 |
0.000 |
20 |
44 |
|
G |
36 |
15 |
18040 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
40 |
13 |
17195 |
323.0 |
-2.8 |
0.472 |
0 |
0 |
0 |
0.000 |
21 |
45 |
|
F |
36 |
11 |
17441 |
◊ |
I |
x-1,y,z |
1_455 |
32 |
10 |
22512 |
322.3 |
-1.1 |
0.502 |
2 |
3 |
0 |
0.000 |
22 |
46 |
|
U |
29 |
14 |
22359 |
◊ |
E |
x,y,z |
1_555 |
31 |
8 |
17646 |
298.2 |
0.4 |
0.638 |
4 |
2 |
0 |
0.000 |
47 |
|
I |
31 |
11 |
22512 |
◊ |
Q |
x,y,z |
1_555 |
30 |
8 |
17613 |
280.9 |
2.6 |
0.860 |
5 |
2 |
0 |
0.000 |
Average: |
289.6 |
1.5 |
0.749 |
5 |
2 |
0 |
0.000 |
23 |
48 |
|
T |
29 |
10 |
12811 |
◊ |
N |
x-1/2,-y-1/2,-z |
4_445 |
34 |
13 |
17225 |
293.2 |
-3.6 |
0.343 |
0 |
0 |
0 |
0.000 |
24 |
49 |
|
F |
30 |
7 |
17441 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
33 |
4 |
14216 |
283.9 |
-2.2 |
0.738 |
5 |
0 |
0 |
0.000 |
25 |
50 |
|
W |
40 |
11 |
8469 |
◊ |
Q |
x,y,z |
1_555 |
24 |
7 |
17613 |
280.4 |
-3.3 |
0.083 |
1 |
3 |
0 |
0.014 |
51 |
|
K |
37 |
10 |
8731 |
◊ |
E |
x,y,z |
1_555 |
24 |
7 |
17646 |
271.8 |
-2.4 |
0.112 |
3 |
5 |
0 |
0.014 |
Average: |
276.1 |
-2.8 |
0.098 |
2 |
4 |
0 |
0.014 |
26 |
52 |
|
J |
31 |
10 |
8740 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
11519 |
272.6 |
-0.5 |
0.578 |
1 |
0 |
0 |
0.007 |
53 |
|
V |
24 |
9 |
8095 |
◊ |
M |
x,y,z |
1_555 |
22 |
6 |
10729 |
194.2 |
-2.0 |
0.510 |
1 |
0 |
0 |
0.007 |
Average: |
233.4 |
-1.2 |
0.544 |
1 |
0 |
0 |
0.007 |
27 |
54 |
|
I |
32 |
9 |
22512 |
◊ |
F |
x,y,z |
1_555 |
23 |
7 |
17441 |
264.1 |
-2.2 |
0.349 |
3 |
5 |
0 |
0.045 |
55 |
|
U |
32 |
9 |
22359 |
◊ |
R |
x,y,z |
1_555 |
24 |
7 |
17571 |
262.2 |
-2.3 |
0.386 |
2 |
5 |
0 |
0.045 |
Average: |
263.1 |
-2.2 |
0.368 |
3 |
5 |
0 |
0.045 |
28 |
56 |
|
[23G]L:61 |
22 |
1 |
545 |
◊ |
A |
x,y,z |
1_555 |
34 |
16 |
11519 |
263.8 |
-1.0 |
0.349 |
2 |
0 |
0 |
0.062 |
57 |
|
[23G]X:61 |
21 |
1 |
544 |
◊ |
M |
x,y,z |
1_555 |
27 |
12 |
10729 |
228.1 |
-0.6 |
0.428 |
2 |
0 |
0 |
0.062 |
Average: |
246.0 |
-0.8 |
0.388 |
2 |
0 |
0 |
0.062 |
29 |
58 |
|
J |
24 |
6 |
8740 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
17203 |
259.9 |
-1.7 |
0.179 |
2 |
0 |
0 |
0.008 |
59 |
|
V |
20 |
6 |
8095 |
◊ |
P |
x,y,z |
1_555 |
18 |
6 |
17436 |
195.4 |
-3.0 |
0.143 |
0 |
0 |
0 |
0.008 |
Average: |
227.7 |
-2.3 |
0.161 |
1 |
0 |
0 |
0.008 |
30 |
60 |
|
F |
20 |
6 |
17441 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
21 |
6 |
11519 |
234.4 |
-2.9 |
0.250 |
0 |
0 |
0 |
0.000 |
31 |
61 |
|
[23G]L:61 |
18 |
1 |
545 |
cf |
L |
x,y,z |
1_555 |
28 |
3 |
14216 |
176.8 |
2.9 |
0.712 |
3 |
0 |
0 |
0.000 |
62 |
|
[23G]X:61 |
18 |
1 |
544 |
cf |
X |
x,y,z |
1_555 |
27 |
3 |
14112 |
170.3 |
2.7 |
0.689 |
3 |
0 |
0 |
0.000 |
Average: |
173.5 |
2.8 |
0.700 |
3 |
0 |
0 |
0.000 |
32 |
63 |
|
J |
19 |
4 |
8740 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
17195 |
167.3 |
-0.9 |
0.267 |
1 |
2 |
0 |
0.004 |
64 |
|
V |
17 |
5 |
8095 |
◊ |
N |
x,y,z |
1_555 |
15 |
4 |
17225 |
150.9 |
-1.2 |
0.385 |
0 |
0 |
0 |
0.004 |
Average: |
159.1 |
-1.0 |
0.326 |
1 |
1 |
0 |
0.004 |
33 |
65 |
|
I |
16 |
7 |
22512 |
◊ |
R |
x,y,z |
1_555 |
21 |
9 |
17571 |
155.1 |
-0.5 |
0.536 |
1 |
2 |
0 |
0.000 |
66 |
|
U |
10 |
4 |
22359 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
17441 |
71.0 |
-0.2 |
0.536 |
0 |
0 |
0 |
0.000 |
Average: |
113.1 |
-0.3 |
0.536 |
1 |
1 |
0 |
0.000 |
34 |
67 |
|
W |
20 |
4 |
8469 |
◊ |
P |
x,y,z |
1_555 |
16 |
5 |
17436 |
154.5 |
-2.7 |
0.207 |
1 |
2 |
0 |
0.012 |
68 |
|
K |
18 |
3 |
8731 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
17203 |
141.9 |
-2.3 |
0.226 |
1 |
2 |
0 |
0.012 |
Average: |
148.2 |
-2.5 |
0.216 |
1 |
2 |
0 |
0.012 |
35 |
69 |
|
X |
21 |
5 |
14112 |
◊ |
U |
x,y,z |
1_555 |
16 |
5 |
22359 |
127.6 |
0.2 |
0.665 |
4 |
0 |
0 |
0.018 |
70 |
|
L |
18 |
5 |
14216 |
◊ |
I |
x,y,z |
1_555 |
17 |
6 |
22512 |
125.8 |
0.3 |
0.653 |
4 |
0 |
0 |
0.018 |
Average: |
126.7 |
0.3 |
0.659 |
4 |
0 |
0 |
0.018 |
36 |
71 |
|
W |
16 |
4 |
8469 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
14 |
3 |
10729 |
121.5 |
0.4 |
0.647 |
1 |
0 |
0 |
0.000 |
37 |
72 |
|
S |
13 |
5 |
17270 |
◊ |
X |
x-1/2,-y-1/2,-z |
4_445 |
21 |
3 |
14112 |
120.1 |
-0.9 |
0.752 |
2 |
0 |
0 |
0.000 |
38 |
73 |
|
S |
8 |
4 |
17270 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
13 |
4 |
10729 |
105.1 |
-2.4 |
0.244 |
0 |
0 |
0 |
0.000 |
39 |
74 |
|
W |
10 |
5 |
8469 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
17646 |
99.1 |
2.2 |
0.871 |
1 |
1 |
0 |
0.000 |
75 |
|
K |
4 |
3 |
8731 |
◊ |
Q |
x,y,z |
1_555 |
8 |
4 |
17613 |
43.9 |
1.4 |
0.777 |
1 |
0 |
0 |
0.000 |
Average: |
71.5 |
1.8 |
0.824 |
1 |
1 |
0 |
0.000 |
40 |
76 |
|
U |
7 |
3 |
22359 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
13 |
5 |
11519 |
86.3 |
-0.2 |
0.622 |
1 |
0 |
0 |
0.000 |
41 |
77 |
|
R |
8 |
4 |
17571 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
7 |
3 |
14216 |
78.9 |
-4.3 |
0.194 |
0 |
0 |
0 |
0.000 |
42 |
78 |
|
[ZN]I:601 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
3 |
2 |
22512 |
49.2 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.403 |
43 |
79 |
|
T |
5 |
3 |
12811 |
◊ |
O |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
17396 |
46.2 |
-1.0 |
0.303 |
0 |
0 |
0 |
0.000 |
44 |
80 |
|
C |
11 |
3 |
17423 |
◊ |
O |
x-1/2,-y+1/2,-z |
4_455 |
9 |
5 |
17396 |
45.6 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
45 |
81 |
|
G |
2 |
1 |
18040 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
7 |
4 |
11519 |
41.2 |
0.4 |
0.715 |
1 |
0 |
0 |
0.000 |
46 |
82 |
|
U |
2 |
1 |
22359 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
2 |
14216 |
31.0 |
-0.7 |
0.625 |
1 |
0 |
0 |
0.000 |
47 |
83 |
|
P |
2 |
1 |
17436 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17203 |
29.9 |
-0.5 |
0.304 |
0 |
0 |
0 |
0.000 |
48 |
84 |
|
G |
3 |
1 |
18040 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
17646 |
29.5 |
1.1 |
0.645 |
1 |
0 |
0 |
0.000 |
85 |
|
S |
4 |
1 |
17270 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
17613 |
29.1 |
0.9 |
0.607 |
0 |
0 |
0 |
0.000 |
Average: |
29.3 |
1.0 |
0.626 |
1 |
0 |
0 |
0.000 |
49 |
86 |
|
V |
2 |
1 |
8095 |
◊ |
X |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
14112 |
22.9 |
-1.0 |
0.427 |
0 |
0 |
0 |
0.000 |
50 |
87 |
|
U |
2 |
1 |
22359 |
◊ |
I |
x-1,y,z |
1_455 |
5 |
2 |
22512 |
19.3 |
-0.5 |
0.312 |
0 |
0 |
0 |
0.000 |
51 |
88 |
|
L |
2 |
2 |
14216 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
8740 |
15.9 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
89 |
|
X |
2 |
2 |
14112 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
8095 |
8.8 |
0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
Average: |
12.3 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
52 |
90 |
|
R |
4 |
3 |
17571 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
17441 |
13.2 |
0.5 |
0.779 |
0 |
0 |
0 |
0.000 |
53 |
91 |
|
T |
2 |
1 |
12811 |
◊ |
X |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
14112 |
11.4 |
-0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
54 |
92 |
|
W |
2 |
1 |
8469 |
◊ |
S |
x,y,z |
1_555 |
3 |
1 |
17270 |
10.4 |
-0.0 |
0.492 |
0 |
0 |
0 |
0.000 |
93 |
|
K |
2 |
1 |
8731 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
18040 |
5.8 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
Average: |
8.1 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
55 |
94 |
|
S |
2 |
2 |
17270 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
3 |
11519 |
6.4 |
-0.2 |
0.480 |
0 |
0 |
0 |
0.000 |
56 |
95 |
|
S |
1 |
1 |
17270 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
12790 |
2.6 |
0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
57 |
96 |
|
Q |
1 |
1 |
17613 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
17646 |
1.3 |
-0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
58 |
97 |
|
D |
1 |
1 |
17203 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17195 |
0.6 |
0.0 |
0.680 |
0 |
0 |
0 |
0.000 |
59 |
98 |
|
T |
1 |
1 |
12811 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
11519 |
0.5 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
|