| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
0 |
820 |
141 |
366653 |
◊ |
B |
x,y,z |
1_555 |
746 |
163 |
18446 |
7193.7 |
-136.4 |
0.615 |
162 |
0 |
0 |
0.122 |
2 |
|
0 |
757 |
141 |
366653 |
◊ |
M |
x,y,z |
1_555 |
611 |
135 |
12441 |
6272.9 |
-118.5 |
0.651 |
134 |
0 |
0 |
0.204 |
3 |
|
0 |
728 |
117 |
366653 |
◊ |
A |
x,y,z |
1_555 |
614 |
131 |
14268 |
6140.4 |
-115.1 |
0.573 |
131 |
0 |
0 |
0.238 |
4 |
|
0 |
642 |
112 |
366653 |
◊ |
C |
x,y,z |
1_555 |
526 |
127 |
14404 |
5405.8 |
-89.5 |
0.713 |
109 |
0 |
0 |
0.106 |
5 |
|
0 |
485 |
97 |
366653 |
◊ |
P |
x,y,z |
1_555 |
395 |
93 |
10739 |
4200.2 |
-79.1 |
0.643 |
102 |
0 |
0 |
0.108 |
6 |
|
0 |
517 |
108 |
366653 |
◊ |
L |
x,y,z |
1_555 |
376 |
81 |
11404 |
4058.1 |
-67.7 |
0.589 |
96 |
0 |
0 |
0.107 |
7 |
|
0 |
496 |
97 |
366653 |
◊ |
Y |
x,y,z |
1_555 |
379 |
87 |
10443 |
4038.3 |
-73.3 |
0.728 |
85 |
0 |
0 |
0.102 |
8 |
|
0 |
382 |
67 |
366653 |
◊ |
R |
x,y,z |
1_555 |
320 |
81 |
8449 |
3085.6 |
-53.8 |
0.609 |
70 |
0 |
0 |
0.089 |
9 |
|
0 |
359 |
61 |
366653 |
◊ |
3 |
x,y,z |
1_555 |
315 |
68 |
7763 |
3036.9 |
-63.2 |
0.270 |
55 |
0 |
0 |
0.089 |
10 |
|
0 |
378 |
77 |
366653 |
◊ |
1 |
x,y,z |
1_555 |
271 |
54 |
4889 |
2872.5 |
-55.0 |
0.680 |
57 |
0 |
0 |
0.094 |
11 |
|
0 |
339 |
60 |
366653 |
◊ |
T |
x,y,z |
1_555 |
270 |
67 |
8123 |
2814.3 |
-38.8 |
0.855 |
59 |
0 |
0 |
0.080 |
12 |
|
0 |
318 |
57 |
366653 |
◊ |
H |
x,y,z |
1_555 |
279 |
63 |
9353 |
2639.2 |
-48.3 |
0.518 |
51 |
0 |
0 |
0.087 |
13 |
|
0 |
295 |
58 |
366653 |
◊ |
Q |
x,y,z |
1_555 |
249 |
60 |
6675 |
2485.8 |
-52.8 |
0.535 |
64 |
0 |
0 |
0.090 |
14 |
|
0 |
277 |
49 |
366653 |
◊ |
J |
x,y,z |
1_555 |
257 |
67 |
8539 |
2436.7 |
-36.7 |
0.625 |
40 |
0 |
0 |
0.077 |
15 |
|
0 |
321 |
51 |
366653 |
◊ |
2 |
x,y,z |
1_555 |
229 |
43 |
5067 |
2393.2 |
-30.5 |
0.612 |
31 |
0 |
0 |
0.069 |
16 |
|
9 |
271 |
43 |
19973 |
◊ |
N |
x,y,z |
1_555 |
240 |
67 |
10918 |
2284.3 |
-37.0 |
0.871 |
59 |
0 |
0 |
0.873 |
17 |
|
0 |
231 |
39 |
366653 |
◊ |
W |
x,y,z |
1_555 |
212 |
55 |
8204 |
2041.8 |
-38.4 |
0.358 |
39 |
0 |
0 |
0.070 |
18 |
|
0 |
230 |
46 |
366653 |
◊ |
K |
x,y,z |
1_555 |
191 |
49 |
7250 |
1903.1 |
-32.1 |
0.701 |
51 |
0 |
0 |
0.073 |
19 |
|
0 |
212 |
31 |
366653 |
◊ |
O |
x,y,z |
1_555 |
182 |
50 |
6485 |
1840.6 |
-25.8 |
0.743 |
43 |
0 |
0 |
0.070 |
20 |
|
0 |
210 |
40 |
366653 |
◊ |
X |
x,y,z |
1_555 |
167 |
39 |
5122 |
1692.6 |
-28.1 |
0.632 |
33 |
0 |
0 |
0.067 |
21 |
|
0 |
208 |
37 |
366653 |
◊ |
E |
x,y,z |
1_555 |
161 |
45 |
10224 |
1662.2 |
-25.0 |
0.306 |
24 |
0 |
0 |
0.055 |
22 |
|
9 |
146 |
20 |
19973 |
◊ |
D |
x,y,z |
1_555 |
122 |
32 |
9657 |
1256.6 |
-20.2 |
0.634 |
14 |
0 |
0 |
1.000 |
23 |
|
0 |
166 |
32 |
366653 |
◊ |
Z |
x,y,z |
1_555 |
117 |
32 |
5630 |
1256.3 |
-12.3 |
0.768 |
28 |
0 |
0 |
0.038 |
24 |
|
0 |
125 |
19 |
366653 |
◊ |
N |
x,y,z |
1_555 |
118 |
32 |
10918 |
1110.4 |
-8.9 |
0.362 |
13 |
0 |
0 |
0.019 |
25 |
|
0 |
120 |
19 |
366653 |
◊ |
D |
x,y,z |
1_555 |
125 |
39 |
9657 |
1084.7 |
-11.3 |
0.904 |
18 |
0 |
0 |
0.030 |
26 |
|
Z |
111 |
32 |
5630 |
◊ |
A |
x,y,z |
1_555 |
113 |
34 |
14268 |
1042.1 |
-14.2 |
0.019 |
18 |
2 |
0 |
0.031 |
27 |
|
9 |
115 |
21 |
19973 |
◊ |
0 |
x,y,z |
1_555 |
140 |
33 |
366653 |
1029.9 |
-23.9 |
0.957 |
11 |
0 |
0 |
0.045 |
28 |
|
0 |
123 |
26 |
366653 |
◊ |
S |
x,y,z |
1_555 |
98 |
31 |
5197 |
989.9 |
-18.8 |
0.694 |
21 |
0 |
0 |
0.044 |
29 |
|
0 |
116 |
21 |
366653 |
◊ |
V |
x,y,z |
1_555 |
105 |
28 |
4551 |
982.2 |
-14.0 |
0.757 |
23 |
0 |
0 |
0.038 |
30 |
|
0 |
108 |
18 |
366653 |
◊ |
I |
x,y,z |
1_555 |
101 |
29 |
4499 |
935.6 |
-18.6 |
0.542 |
14 |
0 |
0 |
0.039 |
31 |
|
M |
76 |
20 |
12441 |
◊ |
F |
x,y,z |
1_555 |
75 |
18 |
6165 |
703.6 |
-9.1 |
0.038 |
9 |
4 |
0 |
0.016 |
32 |
|
0 |
86 |
15 |
366653 |
◊ |
U |
x,y,z |
1_555 |
69 |
19 |
3958 |
697.2 |
-9.9 |
0.795 |
11 |
0 |
0 |
0.020 |
33 |
|
4 |
70 |
5 |
1398 |
◊ |
0 |
x,y,z |
1_555 |
101 |
24 |
366653 |
694.9 |
-8.0 |
0.695 |
12 |
0 |
0 |
0.015 |
34 |
|
0 |
67 |
10 |
366653 |
◊ |
F |
x,y,z |
1_555 |
57 |
20 |
6165 |
628.6 |
-13.1 |
0.461 |
19 |
0 |
0 |
0.030 |
35 |
|
9 |
70 |
11 |
19973 |
◊ |
W |
x,y,z |
1_555 |
54 |
19 |
8204 |
550.8 |
-7.8 |
0.702 |
8 |
0 |
0 |
0.014 |
36 |
|
Q |
54 |
14 |
6675 |
◊ |
N |
x,y,z |
1_555 |
61 |
16 |
10918 |
515.1 |
-7.9 |
0.063 |
2 |
0 |
0 |
0.009 |
37 |
|
U |
48 |
14 |
3958 |
◊ |
K |
x,y,z |
1_555 |
52 |
15 |
7250 |
509.9 |
-8.1 |
0.049 |
6 |
1 |
0 |
0.011 |
38 |
|
0 |
55 |
9 |
366653 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
2787 |
471.8 |
-6.3 |
0.782 |
9 |
0 |
0 |
0.010 |
39 |
|
[PPU]4:76 |
35 |
1 |
755 |
◊ |
0 |
x,y,z |
1_555 |
66 |
13 |
366653 |
418.0 |
-2.3 |
0.566 |
5 |
0 |
0 |
0.005 |
40 |
|
K |
37 |
12 |
7250 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
36 |
12 |
7250 |
372.0 |
-0.2 |
0.450 |
4 |
4 |
0 |
0.000 |
41 |
|
V |
35 |
10 |
4551 |
◊ |
S |
x,y,z |
1_555 |
40 |
10 |
5197 |
347.2 |
-4.3 |
0.175 |
0 |
0 |
0 |
0.007 |
42 |
|
[1MA]0:628 |
23 |
1 |
504 |
cf |
0 |
x,y,z |
1_555 |
49 |
10 |
366653 |
329.4 |
-1.7 |
0.772 |
5 |
0 |
0 |
0.006 |
43 |
|
[UR3]0:2619 |
21 |
1 |
446 |
cf |
0 |
x,y,z |
1_555 |
39 |
7 |
366653 |
284.3 |
-2.9 |
0.811 |
0 |
0 |
0 |
0.004 |
44 |
|
K |
27 |
9 |
7250 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
18446 |
283.3 |
-1.9 |
0.280 |
2 |
0 |
0 |
0.000 |
45 |
|
[OMU]0:2587 |
21 |
1 |
457 |
cf |
0 |
x,y,z |
1_555 |
48 |
11 |
366653 |
280.6 |
-0.9 |
0.829 |
1 |
0 |
0 |
0.002 |
46 |
|
[OMG]0:2588 |
24 |
1 |
508 |
cf |
0 |
x,y,z |
1_555 |
46 |
7 |
366653 |
276.3 |
-3.0 |
0.773 |
2 |
0 |
0 |
0.006 |
47 |
|
J |
29 |
6 |
8539 |
◊ |
E |
x,y,z |
1_555 |
28 |
7 |
10224 |
268.3 |
-3.2 |
0.133 |
3 |
0 |
0 |
0.006 |
48 |
|
2 |
33 |
7 |
5067 |
◊ |
S |
x,y,z |
1_555 |
32 |
8 |
5197 |
265.3 |
-2.7 |
0.235 |
2 |
1 |
0 |
0.006 |
49 |
|
9 |
32 |
7 |
19973 |
◊ |
Q |
x,y,z |
1_555 |
25 |
6 |
6675 |
259.8 |
-2.9 |
0.740 |
5 |
0 |
0 |
0.005 |
50 |
|
[PSU]0:2621 |
18 |
1 |
423 |
cf |
0 |
x,y,z |
1_555 |
40 |
8 |
366653 |
245.6 |
-1.9 |
0.689 |
3 |
0 |
0 |
0.005 |
51 |
|
J |
28 |
9 |
8539 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
18446 |
238.1 |
0.6 |
0.529 |
5 |
1 |
0 |
0.000 |
52 |
|
N |
32 |
9 |
10918 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
9657 |
230.1 |
1.2 |
0.664 |
2 |
0 |
0 |
0.000 |
53 |
|
O |
16 |
4 |
6485 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
14404 |
180.4 |
-1.6 |
0.217 |
0 |
0 |
0 |
0.000 |
54 |
|
U |
15 |
4 |
3958 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
18446 |
176.7 |
-1.4 |
0.330 |
4 |
0 |
0 |
0.000 |
55 |
|
2 |
22 |
5 |
5067 |
◊ |
1 |
x,y,z |
1_555 |
19 |
6 |
4889 |
170.8 |
-2.4 |
0.255 |
0 |
0 |
0 |
0.003 |
56 |
|
[PPU]4:76 |
21 |
1 |
755 |
cf |
4 |
x,y,z |
1_555 |
18 |
2 |
1398 |
166.0 |
2.2 |
0.660 |
1 |
0 |
0 |
0.000 |
57 |
|
0 |
22 |
6 |
366653 |
◊ |
V |
x,-y+1,-z |
4_565 |
15 |
6 |
4551 |
164.3 |
-3.7 |
0.390 |
1 |
0 |
0 |
0.000 |
58 |
|
1 |
15 |
4 |
4889 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
14404 |
161.0 |
-1.2 |
0.375 |
3 |
4 |
0 |
0.002 |
59 |
|
3 |
14 |
4 |
7763 |
◊ |
M |
x,y,z |
1_555 |
23 |
6 |
12441 |
158.4 |
-2.5 |
0.132 |
1 |
0 |
0 |
0.002 |
60 |
|
9 |
26 |
3 |
19973 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
19 |
2 |
366653 |
157.4 |
-0.1 |
0.922 |
0 |
0 |
0 |
0.000 |
61 |
|
0 |
16 |
2 |
366653 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
4 |
366653 |
152.1 |
-5.6 |
0.543 |
2 |
0 |
0 |
0.000 |
62 |
|
O |
20 |
7 |
6485 |
◊ |
L |
x,y,z |
1_555 |
12 |
4 |
11404 |
130.7 |
-0.2 |
0.415 |
0 |
0 |
0 |
0.000 |
63 |
|
[K]0:9002 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
24 |
10 |
366653 |
130.5 |
-84.7 |
0.000 |
0 |
0 |
0 |
0.132 |
64 |
|
9 |
15 |
4 |
19973 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
9353 |
130.2 |
0.4 |
0.725 |
2 |
0 |
0 |
0.000 |
65 |
|
0 |
20 |
7 |
366653 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
17 |
6 |
10224 |
118.4 |
-0.1 |
0.821 |
0 |
0 |
0 |
0.000 |
66 |
|
[K]0:9001 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
15 |
7 |
366653 |
115.7 |
-98.1 |
0.000 |
0 |
0 |
0 |
0.153 |
67 |
|
0 |
22 |
3 |
366653 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
21 |
3 |
366653 |
115.0 |
1.2 |
0.954 |
2 |
0 |
0 |
0.000 |
68 |
|
N |
15 |
7 |
10918 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
16 |
2 |
366653 |
113.4 |
-2.6 |
0.429 |
0 |
0 |
0 |
0.000 |
69 |
|
[OMG]0:2588 |
14 |
1 |
508 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
13 |
1 |
457 |
89.3 |
-0.6 |
0.525 |
0 |
0 |
0 |
0.000 |
70 |
|
[CL]0:9305 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
19 |
7 |
366653 |
87.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.018 |
71 |
|
T |
17 |
5 |
8123 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14404 |
84.0 |
-1.1 |
0.303 |
0 |
0 |
0 |
0.000 |
72 |
|
[PPU]4:76 |
14 |
1 |
755 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
10 |
1 |
446 |
80.2 |
1.4 |
0.686 |
0 |
0 |
0 |
0.000 |
73 |
|
[PO2]4:178 |
3 |
1 |
163 |
◊ |
0 |
x,y,z |
1_555 |
15 |
6 |
366653 |
78.7 |
1.2 |
0.509 |
0 |
0 |
0 |
0.000 |
74 |
|
W |
9 |
2 |
8204 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
12 |
1 |
366653 |
73.1 |
-1.2 |
0.310 |
0 |
0 |
0 |
0.000 |
75 |
|
[CL]R:9306 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
9 |
4 |
8449 |
72.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.100 |
76 |
|
[1MA]0:628 |
8 |
1 |
504 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10443 |
68.5 |
-2.2 |
0.216 |
0 |
0 |
0 |
0.002 |
77 |
|
[CL]M:9318 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
12441 |
68.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
78 |
|
[CL]3:9304 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7763 |
68.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.100 |
79 |
|
[CL]0:9315 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
366653 |
68.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.016 |
80 |
|
[CL]0:9313 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
366653 |
67.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.015 |
81 |
|
[CD]O:9205 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
18 |
6 |
6485 |
67.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.049 |
82 |
|
[OMG]0:2588 |
5 |
1 |
508 |
◊ |
4 |
x,y,z |
1_555 |
5 |
2 |
1398 |
64.1 |
0.8 |
0.596 |
3 |
0 |
0 |
0.000 |
83 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
15 |
5 |
366653 |
63.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.009 |
84 |
|
[CL]J:9302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
8539 |
63.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.037 |
85 |
|
[CL]0:9322 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
366653 |
62.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.014 |
86 |
|
[CL]O:9308 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
10 |
5 |
6485 |
62.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.051 |
87 |
|
[CL]A:9309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14268 |
61.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.100 |
88 |
|
[CL]J:9301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
8539 |
60.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.033 |
89 |
|
[CL]0:9314 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
12 |
4 |
11404 |
60.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.045 |
90 |
|
[CL]L:9310 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
14 |
4 |
11404 |
60.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.055 |
91 |
|
[CL]B:9319 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18446 |
59.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.100 |
92 |
|
[CL]N:9307 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
11 |
3 |
10918 |
59.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.113 |
93 |
|
[CL]0:9303 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
366653 |
58.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.011 |
94 |
|
[CL]0:9311 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
11 |
6 |
6675 |
58.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.100 |
95 |
|
[CL]J:9321 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
6 |
8539 |
57.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.031 |
96 |
|
Y |
7 |
1 |
10443 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
11404 |
57.7 |
0.8 |
0.636 |
0 |
0 |
0 |
0.000 |
97 |
|
[CL]0:9317 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
8 |
4 |
10443 |
55.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.006 |
98 |
|
[CL]0:9316 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
366653 |
53.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.011 |
99 |
|
[CL]0:9317 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
3 |
366653 |
51.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.011 |
100 |
|
[CL]0:9316 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
8539 |
51.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.007 |
101 |
|
[CL]0:9312 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
7250 |
49.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.100 |
102 |
|
[K]0:9002 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
7 |
1 |
12441 |
49.8 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.031 |
103 |
|
[CL]0:9312 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
11 |
4 |
366653 |
48.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.008 |
104 |
|
[PPU]4:76 |
5 |
1 |
755 |
◊ |
[OMG]0:2588 |
x,y,z |
1_555 |
5 |
1 |
508 |
48.1 |
2.0 |
0.718 |
0 |
0 |
0 |
0.000 |
105 |
|
9 |
7 |
2 |
19973 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
18446 |
47.8 |
0.1 |
0.678 |
2 |
0 |
0 |
0.000 |
106 |
|
[PO2]4:178 |
3 |
1 |
163 |
cf |
[PPU]4:76 |
x,y,z |
1_555 |
7 |
1 |
755 |
46.0 |
1.1 |
0.723 |
0 |
0 |
0 |
0.000 |
107 |
|
[CL]Y:9320 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
5 |
3 |
10443 |
45.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.004 |
108 |
|
[PO2]4:178 |
3 |
1 |
163 |
cf |
4 |
x,y,z |
1_555 |
3 |
1 |
1398 |
44.1 |
0.7 |
0.669 |
0 |
0 |
0 |
0.000 |
109 |
|
[CL]0:9314 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
366653 |
43.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.005 |
110 |
|
[CL]O:9308 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
2 |
366653 |
40.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.007 |
111 |
|
[CL]B:9319 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
366653 |
38.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.003 |
112 |
|
D |
6 |
1 |
9657 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
18446 |
36.1 |
-0.3 |
0.508 |
0 |
0 |
0 |
0.000 |
113 |
|
[CL]0:9311 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366653 |
36.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
114 |
|
[CL]L:9310 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366653 |
34.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.004 |
115 |
|
[CL]J:9321 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366653 |
33.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.006 |
116 |
|
0 |
5 |
2 |
366653 |
◊ |
F |
x,-y+1,-z |
4_565 |
5 |
1 |
6165 |
33.1 |
-1.7 |
0.400 |
0 |
0 |
0 |
0.000 |
117 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9657 |
32.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.004 |
118 |
|
G |
5 |
2 |
2787 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
366653 |
29.6 |
0.7 |
0.767 |
1 |
0 |
0 |
0.000 |
119 |
|
[CL]0:9303 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5067 |
27.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.005 |
120 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10224 |
27.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
121 |
|
3 |
5 |
1 |
7763 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11404 |
26.4 |
0.6 |
0.572 |
0 |
0 |
0 |
0.000 |
122 |
|
[PPU]4:76 |
1 |
1 |
755 |
◊ |
[K]0:9001 |
x,y,z |
1_555 |
1 |
1 |
216 |
23.4 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.013 |
123 |
|
[CL]A:9309 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
366653 |
23.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
124 |
|
[CL]R:9306 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
366653 |
11.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.001 |
125 |
|
[CL]0:9313 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10443 |
10.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
126 |
|
[CL]0:9322 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
3 |
1 |
8204 |
7.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
127 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
3 |
2 |
19973 |
7.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
128 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
[CL]0:9313 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
129 |
|
N |
1 |
1 |
10918 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10739 |
6.0 |
-0.0 |
0.434 |
0 |
0 |
0 |
0.000 |
130 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366653 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
131 |
|
M |
2 |
1 |
12441 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14268 |
2.2 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
132 |
|
[CL]J:9302 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366653 |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
133 |
|
[CD]Z:9203 |
1 |
1 |
112 |
f |
0 |
x,y,z |
1_555 |
2 |
1 |
366653 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
134 |
|
[CD]O:9205 |
1 |
1 |
112 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366653 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|