## |
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 |
|
A |
383 |
75 |
209738 |
◊ |
L |
x,y,z |
1_555 |
308 |
78 |
9275 |
3226.0 |
-65.7 |
0.772 |
71 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
369 |
62 |
209738 |
◊ |
D |
x,y,z |
1_555 |
314 |
78 |
12108 |
3043.8 |
-51.8 |
0.793 |
80 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
345 |
67 |
209738 |
◊ |
I |
x,y,z |
1_555 |
266 |
60 |
8383 |
2889.5 |
-53.7 |
0.763 |
66 |
0 |
0 |
0.037 |
4 |
4 |
|
A |
324 |
61 |
209738 |
◊ |
Q |
x,y,z |
1_555 |
248 |
58 |
7761 |
2619.9 |
-44.2 |
0.709 |
49 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
287 |
61 |
209738 |
◊ |
T |
x,y,z |
1_555 |
242 |
62 |
6955 |
2541.1 |
-53.9 |
0.536 |
47 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
285 |
53 |
209738 |
◊ |
P |
x,y,z |
1_555 |
246 |
55 |
5466 |
2468.9 |
-43.0 |
0.649 |
51 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
262 |
43 |
209738 |
◊ |
M |
x,y,z |
1_555 |
225 |
55 |
9344 |
2293.0 |
-49.0 |
0.550 |
56 |
0 |
0 |
0.034 |
8 |
8 |
|
A |
236 |
41 |
209738 |
◊ |
E |
x,y,z |
1_555 |
192 |
56 |
8448 |
1960.9 |
-33.6 |
0.673 |
45 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
228 |
42 |
209738 |
◊ |
G |
x,y,z |
1_555 |
177 |
43 |
10160 |
1868.8 |
-22.4 |
0.912 |
40 |
0 |
0 |
0.000 |
10 |
10 |
|
A |
241 |
44 |
209738 |
◊ |
J |
x,y,z |
1_555 |
185 |
44 |
7352 |
1852.3 |
-30.2 |
0.857 |
28 |
0 |
0 |
0.000 |
11 |
11 |
|
A |
234 |
45 |
209738 |
◊ |
H |
x,y,z |
1_555 |
188 |
52 |
8282 |
1832.0 |
-29.6 |
0.358 |
24 |
0 |
0 |
0.020 |
12 |
12 |
|
A |
220 |
39 |
209738 |
◊ |
K |
x,y,z |
1_555 |
169 |
42 |
7193 |
1810.5 |
-30.8 |
0.770 |
30 |
0 |
0 |
0.021 |
13 |
13 |
|
A |
254 |
48 |
209738 |
◊ |
N |
x,y,z |
1_555 |
163 |
36 |
5600 |
1797.1 |
-35.6 |
0.689 |
37 |
0 |
0 |
0.000 |
14 |
14 |
|
A |
198 |
39 |
209738 |
◊ |
O |
x,y,z |
1_555 |
174 |
43 |
6348 |
1789.7 |
-36.1 |
0.549 |
35 |
0 |
0 |
0.024 |
15 |
15 |
|
A |
193 |
37 |
209738 |
◊ |
C |
x,y,z |
1_555 |
172 |
44 |
12058 |
1695.0 |
-30.1 |
0.652 |
26 |
0 |
0 |
0.020 |
16 |
16 |
|
A |
200 |
40 |
209738 |
◊ |
S |
x,y,z |
1_555 |
157 |
25 |
5987 |
1582.2 |
-19.4 |
0.769 |
29 |
0 |
0 |
0.016 |
17 |
17 |
|
A |
161 |
34 |
209738 |
◊ |
U |
x,y,z |
1_555 |
122 |
23 |
2555 |
1361.5 |
-25.6 |
0.465 |
31 |
0 |
0 |
0.000 |
18 |
18 |
|
A |
161 |
27 |
209738 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
171 |
32 |
209738 |
1208.7 |
-22.1 |
0.979 |
10 |
0 |
0 |
0.000 |
19 |
19 |
|
R |
115 |
27 |
5484 |
◊ |
F |
x,y,z |
1_555 |
103 |
27 |
6883 |
1019.4 |
-7.1 |
0.131 |
15 |
2 |
0 |
0.124 |
20 |
20 |
|
A |
123 |
26 |
209738 |
◊ |
B |
x,y,z |
1_555 |
93 |
35 |
12487 |
964.2 |
-12.6 |
0.848 |
19 |
0 |
0 |
0.010 |
21 |
21 |
|
A |
102 |
21 |
209738 |
◊ |
R |
x,y,z |
1_555 |
82 |
20 |
5484 |
867.7 |
-21.4 |
0.433 |
16 |
0 |
0 |
0.014 |
22 |
22 |
|
N |
83 |
20 |
5600 |
◊ |
C |
x,y,z |
1_555 |
94 |
23 |
12058 |
812.9 |
-9.5 |
0.123 |
6 |
0 |
0 |
0.000 |
23 |
23 |
|
N |
86 |
18 |
5600 |
◊ |
J |
x,y,z |
1_555 |
86 |
18 |
7352 |
761.4 |
-7.2 |
0.331 |
10 |
5 |
0 |
0.282 |
24 |
24 |
|
H |
63 |
19 |
8282 |
◊ |
E |
x,y,z |
1_555 |
64 |
17 |
8448 |
585.3 |
-0.9 |
0.468 |
6 |
4 |
0 |
0.000 |
25 |
25 |
|
A |
63 |
14 |
209738 |
◊ |
F |
x,y,z |
1_555 |
66 |
21 |
6883 |
544.9 |
-8.5 |
0.676 |
13 |
0 |
0 |
0.000 |
26 |
26 |
|
[PAR]Z:291 |
36 |
1 |
750 |
f |
A |
x,y,z |
1_555 |
59 |
15 |
209738 |
462.9 |
-19.3 |
0.661 |
10 |
0 |
0 |
0.012 |
27 |
27 |
|
A |
47 |
10 |
209738 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
3_545 |
41 |
15 |
9344 |
402.9 |
-10.5 |
0.388 |
4 |
0 |
0 |
0.000 |
28 |
28 |
|
B |
42 |
14 |
12487 |
◊ |
B |
y,x,-z |
7_555 |
41 |
14 |
12487 |
400.6 |
8.0 |
0.964 |
4 |
4 |
0 |
0.000 |
29 |
29 |
|
J |
40 |
14 |
7352 |
◊ |
C |
x,y,z |
1_555 |
44 |
13 |
12058 |
370.5 |
-3.7 |
0.285 |
0 |
0 |
0 |
0.000 |
30 |
30 |
|
S |
43 |
12 |
5987 |
◊ |
M |
x,y,z |
1_555 |
38 |
11 |
9344 |
369.2 |
-2.5 |
0.386 |
2 |
0 |
0 |
0.001 |
31 |
31 |
|
R |
34 |
8 |
5484 |
◊ |
K |
x,y,z |
1_555 |
39 |
13 |
7193 |
355.2 |
-0.2 |
0.597 |
4 |
2 |
0 |
0.000 |
32 |
32 |
|
E |
34 |
11 |
8448 |
◊ |
D |
x,y,z |
1_555 |
32 |
11 |
12108 |
294.7 |
1.3 |
0.607 |
3 |
5 |
0 |
0.000 |
33 |
33 |
|
H |
35 |
11 |
8282 |
◊ |
D |
y,x,-z |
7_555 |
31 |
12 |
12108 |
268.1 |
3.2 |
0.652 |
3 |
3 |
0 |
0.000 |
34 |
34 |
|
H |
28 |
8 |
8282 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
12487 |
264.1 |
-1.2 |
0.467 |
3 |
2 |
0 |
0.001 |
35 |
35 |
|
E |
30 |
10 |
8448 |
◊ |
E |
y,x,-z |
7_555 |
30 |
10 |
8448 |
243.0 |
4.7 |
0.874 |
4 |
0 |
0 |
0.000 |
36 |
36 |
|
I |
23 |
7 |
8383 |
◊ |
G |
x,y,z |
1_555 |
28 |
8 |
10160 |
226.8 |
-3.9 |
0.116 |
1 |
0 |
0 |
0.000 |
37 |
37 |
|
K |
27 |
8 |
7193 |
◊ |
G |
x,y,z |
1_555 |
26 |
7 |
10160 |
223.6 |
-1.9 |
0.377 |
2 |
0 |
0 |
0.000 |
38 |
38 |
|
[TM2]Y:34 |
21 |
1 |
565 |
cf |
Y |
x,y,z |
1_555 |
27 |
4 |
1524 |
221.1 |
0.5 |
0.698 |
3 |
0 |
0 |
0.100 |
39 |
39 |
|
X |
22 |
3 |
841 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
209738 |
215.1 |
-5.6 |
0.611 |
2 |
0 |
0 |
0.000 |
40 |
40 |
|
Y |
25 |
3 |
1524 |
◊ |
A |
x,y,z |
1_555 |
32 |
7 |
209738 |
206.3 |
-0.8 |
0.758 |
1 |
0 |
0 |
0.000 |
41 |
41 |
|
Q |
22 |
5 |
7761 |
◊ |
L |
x,y,z |
1_555 |
22 |
6 |
9275 |
200.2 |
-3.2 |
0.231 |
1 |
0 |
0 |
0.000 |
42 |
42 |
|
K |
24 |
8 |
7193 |
◊ |
A |
x,y,z-1 |
1_554 |
24 |
3 |
209738 |
193.0 |
-0.8 |
0.754 |
2 |
0 |
0 |
0.000 |
43 |
43 |
|
A |
22 |
5 |
209738 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
14 |
3 |
8383 |
168.4 |
-2.0 |
0.640 |
6 |
0 |
0 |
0.000 |
44 |
44 |
|
J |
24 |
8 |
7352 |
◊ |
I |
x,y,z |
1_555 |
17 |
5 |
8383 |
158.2 |
-1.0 |
0.357 |
0 |
0 |
0 |
0.000 |
45 |
45 |
|
J |
15 |
4 |
7352 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
15 |
4 |
7352 |
149.4 |
4.4 |
0.937 |
4 |
2 |
0 |
0.000 |
46 |
46 |
|
Y |
18 |
3 |
1524 |
◊ |
X |
x,y,z |
1_555 |
22 |
3 |
841 |
147.5 |
1.2 |
0.771 |
3 |
0 |
0 |
0.000 |
47 |
47 |
|
[K]Z:228 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
209738 |
140.6 |
-98.0 |
0.000 |
0 |
0 |
0 |
0.065 |
48 |
|
[K]Z:264 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
209738 |
62.4 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
101.5 |
-65.9 |
0.000 |
0 |
0 |
0 |
0.065 |
48 |
49 |
|
[K]Z:235 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
209738 |
134.8 |
-89.5 |
0.000 |
0 |
0 |
0 |
0.044 |
49 |
50 |
|
[K]Z:281 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
209738 |
132.3 |
-87.1 |
0.000 |
0 |
0 |
0 |
0.043 |
50 |
51 |
|
Q |
18 |
5 |
7761 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
8282 |
131.8 |
-0.6 |
0.497 |
1 |
0 |
0 |
0.000 |
51 |
52 |
|
[K]Z:229 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
209738 |
130.6 |
-91.6 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[K]Z:224 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
209738 |
130.2 |
-82.2 |
0.000 |
0 |
0 |
0 |
0.040 |
53 |
54 |
|
[K]Z:274 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
209738 |
128.8 |
-88.0 |
0.000 |
0 |
0 |
0 |
0.043 |
54 |
55 |
|
[K]Z:227 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
209738 |
128.7 |
-88.0 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[K]Z:285 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
209738 |
128.2 |
-82.4 |
0.000 |
0 |
0 |
0 |
0.041 |
56 |
57 |
|
[K]Z:240 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
209738 |
126.5 |
-87.1 |
0.000 |
0 |
0 |
0 |
0.043 |
57 |
58 |
|
[K]Z:220 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
209738 |
125.3 |
-78.4 |
0.000 |
0 |
0 |
0 |
0.039 |
58 |
59 |
|
[K]Z:232 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
209738 |
123.6 |
-77.3 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
|
[K]Z:236 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
209738 |
120.6 |
-83.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
122.1 |
-80.3 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
[K]Z:256 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
209738 |
121.7 |
-75.4 |
0.000 |
0 |
0 |
0 |
0.037 |
60 |
62 |
|
[K]Z:252 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
209738 |
121.5 |
-73.0 |
0.000 |
0 |
0 |
0 |
0.036 |
61 |
63 |
|
[K]Z:242 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
209738 |
120.9 |
-77.8 |
0.000 |
0 |
0 |
0 |
0.038 |
62 |
64 |
|
[K]Z:234 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
209738 |
118.8 |
-78.2 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
[K]Z:253 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
8448 |
118.5 |
-86.5 |
0.000 |
0 |
0 |
0 |
0.392 |
64 |
66 |
|
[K]Z:266 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
209738 |
118.4 |
-78.5 |
0.000 |
0 |
0 |
0 |
0.039 |
65 |
67 |
|
[K]Z:222 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
209738 |
117.4 |
-77.5 |
0.000 |
0 |
0 |
0 |
0.038 |
66 |
68 |
|
[K]Z:241 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
209738 |
116.7 |
-77.4 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
69 |
|
[K]Z:221 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
209738 |
116.0 |
-74.7 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
70 |
|
[K]Z:255 |
1 |
1 |
216 |
f |
T |
x,y,z |
1_555 |
20 |
7 |
6955 |
115.9 |
-70.2 |
0.000 |
0 |
0 |
0 |
0.100 |
69 |
71 |
|
[K]Z:261 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
209738 |
115.4 |
-70.9 |
0.000 |
0 |
0 |
0 |
0.035 |
70 |
72 |
|
[K]Z:251 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
209738 |
115.3 |
-75.0 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
73 |
|
[K]Z:248 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
209738 |
114.8 |
-60.3 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
74 |
|
[K]Z:270 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
209738 |
113.5 |
-101.5 |
0.000 |
0 |
0 |
0 |
0.050 |
73 |
75 |
|
[K]Z:249 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
209738 |
112.4 |
-78.9 |
0.000 |
0 |
0 |
0 |
0.039 |
74 |
76 |
|
[K]Z:238 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
209738 |
112.3 |
-61.5 |
0.000 |
0 |
0 |
0 |
0.030 |
75 |
77 |
|
[K]Z:257 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
209738 |
111.0 |
-72.0 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[K]Z:287 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
209738 |
100.6 |
-67.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
105.8 |
-69.8 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
79 |
|
[K]Z:239 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
209738 |
110.8 |
-73.7 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
80 |
|
[K]Z:223 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
209738 |
110.5 |
-72.2 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
81 |
|
[K]Z:277 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
209738 |
109.1 |
-70.6 |
0.000 |
0 |
0 |
0 |
0.035 |
79 |
82 |
|
[K]Z:247 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
209738 |
108.9 |
-72.5 |
0.000 |
0 |
0 |
0 |
0.036 |
80 |
83 |
|
[K]Z:273 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
209738 |
108.5 |
-74.1 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
84 |
|
[K]Z:259 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
209738 |
103.7 |
-68.8 |
0.000 |
0 |
0 |
0 |
0.034 |
82 |
85 |
|
[K]Z:272 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
209738 |
103.4 |
-64.3 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
86 |
|
[K]Z:219 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
209738 |
102.5 |
-68.4 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
87 |
|
[K]Z:264 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
8383 |
102.3 |
-64.4 |
0.000 |
0 |
0 |
0 |
0.029 |
85 |
88 |
|
[K]Z:269 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
209738 |
102.2 |
-62.2 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
89 |
|
[K]Z:245 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
209738 |
102.1 |
-65.4 |
0.000 |
0 |
0 |
0 |
0.032 |
87 |
90 |
|
[K]Z:283 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
209738 |
102.1 |
-67.5 |
0.000 |
0 |
0 |
0 |
0.000 |
88 |
91 |
|
[K]Z:230 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
209738 |
102.0 |
-66.8 |
0.000 |
0 |
0 |
0 |
0.033 |
89 |
92 |
|
[K]Z:231 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
209738 |
102.0 |
-60.1 |
0.000 |
0 |
0 |
0 |
0.000 |
90 |
93 |
|
[K]Z:225 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
209738 |
101.4 |
-59.4 |
0.000 |
0 |
0 |
0 |
0.000 |
91 |
94 |
|
[K]Z:218 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
209738 |
101.1 |
-71.3 |
0.000 |
0 |
0 |
0 |
0.035 |
92 |
95 |
|
[K]Z:265 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
209738 |
100.8 |
-53.7 |
0.000 |
0 |
0 |
0 |
0.000 |
93 |
96 |
|
[K]Z:276 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
8448 |
99.5 |
-66.8 |
0.000 |
0 |
0 |
0 |
0.303 |
94 |
97 |
|
[K]Z:286 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
209738 |
97.6 |
-56.4 |
0.000 |
0 |
0 |
0 |
0.000 |
95 |
98 |
|
[K]Z:226 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
209738 |
95.7 |
-61.9 |
0.000 |
0 |
0 |
0 |
0.030 |
96 |
99 |
|
[K]Z:284 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
6883 |
94.9 |
-60.9 |
0.000 |
0 |
0 |
0 |
0.537 |
97 |
100 |
|
[K]Z:290 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
209738 |
91.9 |
-57.2 |
0.000 |
0 |
0 |
0 |
0.028 |
98 |
101 |
|
[K]Z:246 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
209738 |
91.7 |
-59.0 |
0.000 |
0 |
0 |
0 |
0.000 |
99 |
102 |
|
E |
11 |
4 |
8448 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12058 |
91.1 |
-0.3 |
0.487 |
1 |
1 |
0 |
0.000 |
100 |
103 |
|
A |
13 |
2 |
209738 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
3_545 |
9 |
2 |
10160 |
90.5 |
-2.0 |
0.561 |
1 |
0 |
0 |
0.000 |
101 |
104 |
|
[TM2]Y:34 |
15 |
1 |
565 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
209738 |
89.0 |
-0.1 |
0.695 |
0 |
0 |
0 |
0.000 |
102 |
105 |
|
[K]Z:243 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
209738 |
86.5 |
-54.2 |
0.000 |
0 |
0 |
0 |
0.000 |
103 |
106 |
|
[K]Z:268 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
209738 |
85.5 |
-50.3 |
0.000 |
0 |
0 |
0 |
0.000 |
104 |
107 |
|
[K]Z:263 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
209738 |
84.7 |
-53.5 |
0.000 |
0 |
0 |
0 |
0.000 |
108 |
|
[K]Z:233 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
209738 |
79.6 |
-45.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
82.1 |
-49.6 |
0.000 |
0 |
0 |
0 |
0.000 |
105 |
109 |
|
[TM2]Y:34 |
9 |
1 |
565 |
◊ |
X |
x,y,z |
1_555 |
6 |
3 |
841 |
82.3 |
-0.5 |
0.545 |
1 |
0 |
0 |
0.000 |
106 |
110 |
|
[K]Z:268 |
1 |
1 |
216 |
◊ |
N |
x,y,z |
1_555 |
11 |
4 |
5600 |
81.3 |
-42.0 |
0.000 |
0 |
0 |
0 |
0.000 |
107 |
111 |
|
[K]Z:244 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
209738 |
81.2 |
-50.7 |
0.000 |
0 |
0 |
0 |
0.000 |
108 |
112 |
|
[K]Z:258 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
209738 |
79.9 |
-46.8 |
0.000 |
0 |
0 |
0 |
0.000 |
109 |
113 |
|
[K]Z:255 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
209738 |
76.5 |
-39.6 |
0.000 |
0 |
0 |
0 |
0.000 |
110 |
114 |
|
[K]Z:278 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
8 |
2 |
8448 |
69.7 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.177 |
111 |
115 |
|
[K]Z:289 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
209738 |
69.2 |
-40.5 |
0.000 |
0 |
0 |
0 |
0.000 |
112 |
116 |
|
[K]Z:258 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
17 |
2 |
10160 |
67.9 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.000 |
113 |
117 |
|
[K]Z:244 |
1 |
1 |
216 |
◊ |
Q |
x,y,z |
1_555 |
9 |
3 |
7761 |
66.8 |
-32.6 |
0.000 |
0 |
0 |
0 |
0.000 |
114 |
118 |
|
[K]Z:287 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
9 |
3 |
5466 |
65.8 |
-42.1 |
0.000 |
0 |
0 |
0 |
0.000 |
115 |
119 |
|
[K]Z:284 |
1 |
1 |
216 |
◊ |
R |
x,y,z |
1_555 |
9 |
5 |
5484 |
65.0 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.340 |
116 |
120 |
|
N |
14 |
2 |
5600 |
◊ |
I |
x,y,z |
1_555 |
7 |
1 |
8383 |
64.9 |
-0.3 |
0.530 |
0 |
0 |
0 |
0.000 |
117 |
121 |
|
A |
7 |
2 |
209738 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
7 |
3 |
9344 |
64.2 |
-2.0 |
0.378 |
0 |
0 |
0 |
0.000 |
118 |
122 |
|
[K]Z:278 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
209738 |
64.1 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.000 |
119 |
123 |
|
[K]Z:245 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
12 |
4 |
9344 |
63.8 |
-36.7 |
0.000 |
0 |
0 |
0 |
0.017 |
120 |
124 |
|
X |
7 |
2 |
841 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
9275 |
62.3 |
-0.9 |
0.548 |
1 |
0 |
0 |
0.000 |
121 |
125 |
|
M |
6 |
2 |
9344 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
8383 |
61.2 |
0.4 |
0.574 |
0 |
0 |
0 |
0.000 |
122 |
126 |
|
[K]Z:276 |
1 |
1 |
216 |
◊ |
E |
y,x,-z |
7_555 |
5 |
1 |
8448 |
59.0 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.135 |
123 |
127 |
|
L |
5 |
2 |
9275 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
8282 |
58.6 |
-0.9 |
0.302 |
0 |
0 |
0 |
0.000 |
124 |
128 |
|
[K]Z:236 |
1 |
1 |
216 |
f |
[K]Z:232 |
x,y,z |
1_555 |
1 |
1 |
216 |
54.9 |
-54.9 |
0.000 |
0 |
0 |
0 |
0.100 |
125 |
129 |
|
[K]Z:248 |
1 |
1 |
216 |
◊ |
U |
x,y,z |
1_555 |
7 |
3 |
2555 |
51.8 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.000 |
126 |
130 |
|
C |
3 |
2 |
12058 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
12487 |
50.3 |
0.5 |
0.509 |
0 |
0 |
0 |
0.000 |
127 |
131 |
|
[K]Z:263 |
1 |
1 |
216 |
f |
[K]Z:233 |
x,y,z |
1_555 |
1 |
1 |
216 |
50.1 |
-50.1 |
0.000 |
0 |
0 |
0 |
0.100 |
128 |
132 |
|
[ZN]Z:140 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
12108 |
49.6 |
-38.8 |
0.000 |
0 |
0 |
0 |
0.100 |
129 |
133 |
|
[K]Z:272 |
1 |
1 |
216 |
f |
[K]Z:218 |
x,y,z |
1_555 |
1 |
1 |
216 |
41.9 |
-41.9 |
0.000 |
0 |
0 |
0 |
0.000 |
130 |
134 |
|
[ZN]Z:141 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
2 |
2 |
5600 |
39.7 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.718 |
131 |
135 |
|
[K]Z:223 |
1 |
1 |
216 |
f |
[K]Z:218 |
x,y,z |
1_555 |
1 |
1 |
216 |
38.0 |
-38.0 |
0.000 |
0 |
0 |
0 |
0.000 |
132 |
136 |
|
[K]Z:272 |
1 |
1 |
216 |
f |
[K]Z:223 |
x,y,z |
1_555 |
1 |
1 |
216 |
38.0 |
-38.0 |
0.000 |
0 |
0 |
0 |
0.100 |
133 |
137 |
|
[K]Z:266 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12058 |
32.9 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.007 |
134 |
138 |
|
[K]Z:268 |
1 |
1 |
216 |
◊ |
J |
x,y,z |
1_555 |
6 |
3 |
7352 |
32.3 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.000 |
135 |
139 |
|
U |
5 |
3 |
2555 |
◊ |
M |
x,y,z |
1_555 |
4 |
3 |
9344 |
31.6 |
0.2 |
0.433 |
0 |
0 |
0 |
0.000 |
136 |
140 |
|
O |
2 |
1 |
6348 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
6883 |
27.8 |
0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
137 |
141 |
|
A |
4 |
2 |
209738 |
◊ |
[K]Z:243 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
216 |
27.5 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.000 |
138 |
142 |
|
[K]Z:240 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
5 |
1 |
5466 |
22.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.000 |
139 |
143 |
|
[K]Z:246 |
1 |
1 |
216 |
f |
[K]Z:219 |
x,y,z |
1_555 |
1 |
1 |
216 |
21.7 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.100 |
140 |
144 |
|
[ZN]Z:141 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
209738 |
17.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.000 |
141 |
145 |
|
A |
2 |
1 |
209738 |
◊ |
D |
y,x,-z |
7_555 |
1 |
1 |
12108 |
13.6 |
-0.0 |
0.562 |
0 |
0 |
0 |
0.000 |
142 |
146 |
|
[PAR]Z:291 |
3 |
1 |
750 |
f |
[K]Z:286 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
143 |
147 |
|
[K]Z:260 |
1 |
1 |
216 |
f |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
3 |
1 |
209738 |
12.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.003 |
144 |
148 |
|
[K]Z:277 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12058 |
11.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.003 |
145 |
149 |
|
[K]Z:232 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
9275 |
11.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
146 |
150 |
|
[K]Z:272 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
9275 |
11.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
147 |
151 |
|
E |
2 |
2 |
8448 |
◊ |
B |
y,x,-z |
7_555 |
2 |
2 |
12487 |
10.1 |
0.7 |
0.853 |
0 |
0 |
0 |
0.000 |
148 |
152 |
|
[K]Z:228 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
8383 |
9.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.002 |
149 |
153 |
|
Y |
1 |
1 |
1524 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
9344 |
5.5 |
-0.4 |
0.267 |
0 |
0 |
0 |
0.000 |
150 |
154 |
|
[K]Z:251 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12108 |
4.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
151 |
155 |
|
Q |
1 |
1 |
7761 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
6348 |
3.6 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
152 |
156 |
|
S |
1 |
1 |
5987 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
5600 |
3.0 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
153 |
157 |
|
[K]Z:256 |
1 |
1 |
216 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
6348 |
2.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
154 |
158 |
|
G |
2 |
1 |
10160 |
◊ |
G |
-y+1,-x+1,-z-1/2 |
8_664 |
2 |
2 |
10160 |
2.4 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
155 |
159 |
|
[K]Z:231 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
8448 |
2.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
|