| ## |
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 |
821 |
145 |
364529 |
◊ |
B |
x,y,z |
1_555 |
754 |
167 |
18390 |
7178.8 |
-134.4 |
0.634 |
164 |
0 |
0 |
0.123 |
2 |
|
0 |
761 |
140 |
364529 |
◊ |
M |
x,y,z |
1_555 |
616 |
135 |
12385 |
6323.5 |
-117.3 |
0.658 |
140 |
0 |
0 |
0.172 |
3 |
|
0 |
742 |
118 |
364529 |
◊ |
A |
x,y,z |
1_555 |
612 |
131 |
14260 |
6161.0 |
-115.4 |
0.591 |
133 |
0 |
0 |
0.212 |
4 |
|
0 |
649 |
109 |
364529 |
◊ |
C |
x,y,z |
1_555 |
514 |
129 |
14416 |
5414.1 |
-89.3 |
0.666 |
110 |
0 |
0 |
0.101 |
5 |
|
0 |
487 |
97 |
364529 |
◊ |
P |
x,y,z |
1_555 |
393 |
94 |
10701 |
4224.8 |
-82.1 |
0.581 |
110 |
0 |
0 |
0.107 |
6 |
|
0 |
497 |
98 |
364529 |
◊ |
Y |
x,y,z |
1_555 |
390 |
88 |
10440 |
4057.4 |
-70.4 |
0.804 |
90 |
0 |
0 |
0.100 |
7 |
|
0 |
505 |
107 |
364529 |
◊ |
L |
x,y,z |
1_555 |
371 |
81 |
11376 |
4017.9 |
-68.4 |
0.572 |
100 |
0 |
0 |
0.098 |
8 |
|
0 |
385 |
70 |
364529 |
◊ |
R |
x,y,z |
1_555 |
322 |
81 |
8420 |
3095.9 |
-53.5 |
0.545 |
71 |
0 |
0 |
0.085 |
9 |
|
0 |
369 |
60 |
364529 |
◊ |
3 |
x,y,z |
1_555 |
318 |
68 |
7764 |
3055.3 |
-63.1 |
0.253 |
60 |
0 |
0 |
0.086 |
10 |
|
0 |
372 |
74 |
364529 |
◊ |
1 |
x,y,z |
1_555 |
265 |
54 |
4856 |
2830.7 |
-56.4 |
0.584 |
53 |
0 |
0 |
0.085 |
11 |
|
0 |
340 |
58 |
364529 |
◊ |
T |
x,y,z |
1_555 |
272 |
68 |
8067 |
2776.2 |
-40.0 |
0.838 |
55 |
0 |
0 |
0.074 |
12 |
|
0 |
309 |
55 |
364529 |
◊ |
H |
x,y,z |
1_555 |
276 |
62 |
9294 |
2648.9 |
-46.1 |
0.582 |
45 |
0 |
0 |
0.073 |
13 |
|
0 |
289 |
60 |
364529 |
◊ |
Q |
x,y,z |
1_555 |
248 |
58 |
6610 |
2469.6 |
-53.8 |
0.514 |
61 |
0 |
0 |
0.083 |
14 |
|
0 |
276 |
48 |
364529 |
◊ |
J |
x,y,z |
1_555 |
255 |
68 |
8478 |
2449.2 |
-35.8 |
0.690 |
42 |
0 |
0 |
0.063 |
15 |
|
0 |
327 |
55 |
364529 |
◊ |
2 |
x,y,z |
1_555 |
238 |
43 |
5078 |
2387.7 |
-32.3 |
0.611 |
33 |
0 |
0 |
0.063 |
16 |
|
9 |
269 |
42 |
19884 |
◊ |
N |
x,y,z |
1_555 |
240 |
66 |
10845 |
2260.7 |
-35.7 |
0.900 |
60 |
0 |
0 |
0.872 |
17 |
|
0 |
238 |
39 |
364529 |
◊ |
W |
x,y,z |
1_555 |
209 |
52 |
8108 |
2028.7 |
-38.5 |
0.383 |
36 |
0 |
0 |
0.062 |
18 |
|
0 |
235 |
45 |
364529 |
◊ |
K |
x,y,z |
1_555 |
196 |
49 |
7245 |
1922.8 |
-33.6 |
0.615 |
46 |
0 |
0 |
0.068 |
19 |
|
0 |
209 |
31 |
364529 |
◊ |
O |
x,y,z |
1_555 |
185 |
50 |
6503 |
1832.0 |
-26.3 |
0.698 |
41 |
0 |
0 |
0.062 |
20 |
|
0 |
205 |
39 |
364529 |
◊ |
X |
x,y,z |
1_555 |
165 |
39 |
5088 |
1684.2 |
-27.6 |
0.656 |
28 |
0 |
0 |
0.055 |
21 |
|
0 |
207 |
36 |
364529 |
◊ |
E |
x,y,z |
1_555 |
159 |
43 |
10173 |
1654.2 |
-23.4 |
0.440 |
23 |
0 |
0 |
0.046 |
22 |
|
0 |
164 |
32 |
364529 |
◊ |
Z |
x,y,z |
1_555 |
114 |
32 |
5656 |
1242.1 |
-13.9 |
0.672 |
21 |
0 |
0 |
0.032 |
23 |
|
9 |
137 |
20 |
19884 |
◊ |
D |
x,y,z |
1_555 |
124 |
34 |
9660 |
1238.1 |
-20.0 |
0.680 |
17 |
0 |
0 |
0.038 |
24 |
|
0 |
118 |
19 |
364529 |
◊ |
D |
x,y,z |
1_555 |
122 |
39 |
9660 |
1123.3 |
-11.3 |
0.897 |
19 |
0 |
0 |
0.027 |
25 |
|
0 |
124 |
18 |
364529 |
◊ |
N |
x,y,z |
1_555 |
120 |
31 |
10845 |
1108.0 |
-8.3 |
0.407 |
12 |
0 |
0 |
0.016 |
26 |
|
9 |
121 |
22 |
19884 |
◊ |
0 |
x,y,z |
1_555 |
141 |
34 |
364529 |
1053.7 |
-25.3 |
0.958 |
10 |
0 |
0 |
0.041 |
27 |
|
Z |
107 |
32 |
5656 |
◊ |
A |
x,y,z |
1_555 |
114 |
38 |
14260 |
1023.6 |
-14.7 |
0.015 |
16 |
2 |
0 |
0.027 |
28 |
|
0 |
130 |
28 |
364529 |
◊ |
S |
x,y,z |
1_555 |
96 |
33 |
5177 |
997.8 |
-18.3 |
0.746 |
22 |
0 |
0 |
0.039 |
29 |
|
0 |
116 |
21 |
364529 |
◊ |
V |
x,y,z |
1_555 |
107 |
28 |
4552 |
989.2 |
-14.5 |
0.746 |
19 |
0 |
0 |
0.032 |
30 |
|
0 |
107 |
17 |
364529 |
◊ |
I |
x,y,z |
1_555 |
96 |
29 |
4426 |
931.5 |
-19.6 |
0.540 |
12 |
0 |
0 |
0.034 |
31 |
|
4 |
75 |
6 |
1503 |
◊ |
0 |
x,y,z |
1_555 |
113 |
24 |
364529 |
788.2 |
-9.9 |
0.690 |
15 |
0 |
0 |
0.023 |
32 |
|
M |
82 |
22 |
12385 |
◊ |
F |
x,y,z |
1_555 |
73 |
19 |
6164 |
708.6 |
-8.8 |
0.042 |
9 |
4 |
0 |
0.013 |
33 |
|
0 |
88 |
16 |
364529 |
◊ |
U |
x,y,z |
1_555 |
70 |
18 |
3977 |
692.2 |
-9.2 |
0.808 |
9 |
0 |
0 |
0.013 |
34 |
|
0 |
68 |
10 |
364529 |
◊ |
F |
x,y,z |
1_555 |
57 |
20 |
6164 |
616.8 |
-13.4 |
0.442 |
17 |
0 |
0 |
0.025 |
35 |
|
9 |
67 |
11 |
19884 |
◊ |
W |
x,y,z |
1_555 |
50 |
16 |
8108 |
527.2 |
-7.8 |
0.682 |
9 |
0 |
0 |
0.013 |
36 |
|
U |
56 |
15 |
3977 |
◊ |
K |
x,y,z |
1_555 |
50 |
17 |
7245 |
522.1 |
-7.5 |
0.074 |
7 |
2 |
0 |
0.000 |
37 |
|
Q |
54 |
13 |
6610 |
◊ |
N |
x,y,z |
1_555 |
63 |
19 |
10845 |
511.1 |
-7.9 |
0.067 |
2 |
0 |
0 |
0.000 |
38 |
|
0 |
53 |
10 |
364529 |
◊ |
G |
x,y,z |
1_555 |
47 |
13 |
2756 |
475.2 |
-6.1 |
0.767 |
9 |
0 |
0 |
0.000 |
39 |
|
V |
37 |
10 |
4552 |
◊ |
S |
x,y,z |
1_555 |
38 |
10 |
5177 |
346.8 |
-5.1 |
0.135 |
1 |
1 |
0 |
0.008 |
40 |
|
[1MA]0:628 |
23 |
1 |
502 |
cf |
0 |
x,y,z |
1_555 |
46 |
10 |
364529 |
327.8 |
-1.9 |
0.761 |
5 |
0 |
0 |
0.006 |
41 |
|
K |
30 |
11 |
7245 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
30 |
11 |
7245 |
285.1 |
-0.5 |
0.427 |
0 |
0 |
0 |
0.000 |
42 |
|
K |
26 |
9 |
7245 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
18390 |
282.2 |
-1.3 |
0.350 |
3 |
0 |
0 |
0.000 |
43 |
|
[OMU]0:2587 |
21 |
1 |
459 |
cf |
0 |
x,y,z |
1_555 |
48 |
11 |
364529 |
281.0 |
-0.7 |
0.835 |
1 |
0 |
0 |
0.002 |
44 |
|
[UR3]0:2619 |
21 |
1 |
442 |
cf |
0 |
x,y,z |
1_555 |
39 |
8 |
364529 |
280.5 |
-3.0 |
0.817 |
0 |
0 |
0 |
0.004 |
45 |
|
[OMG]0:2588 |
24 |
1 |
510 |
cf |
0 |
x,y,z |
1_555 |
45 |
7 |
364529 |
277.0 |
-3.2 |
0.764 |
2 |
0 |
0 |
0.006 |
46 |
|
J |
29 |
6 |
8478 |
◊ |
E |
x,y,z |
1_555 |
29 |
8 |
10173 |
275.4 |
-3.9 |
0.091 |
2 |
0 |
0 |
0.006 |
47 |
|
2 |
31 |
7 |
5078 |
◊ |
S |
x,y,z |
1_555 |
32 |
9 |
5177 |
259.9 |
-2.6 |
0.222 |
3 |
2 |
0 |
0.006 |
48 |
|
[5AA]4:76 |
22 |
1 |
513 |
◊ |
0 |
x,y,z |
1_555 |
39 |
10 |
364529 |
256.2 |
1.6 |
0.539 |
6 |
0 |
0 |
0.002 |
49 |
|
9 |
34 |
7 |
19884 |
◊ |
Q |
x,y,z |
1_555 |
24 |
5 |
6610 |
255.6 |
-2.2 |
0.795 |
4 |
0 |
0 |
0.000 |
50 |
|
[PSU]0:2621 |
19 |
1 |
424 |
cf |
0 |
x,y,z |
1_555 |
40 |
7 |
364529 |
247.8 |
-2.2 |
0.681 |
3 |
0 |
0 |
0.005 |
51 |
|
J |
27 |
9 |
8478 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
18390 |
235.1 |
0.9 |
0.566 |
7 |
1 |
0 |
0.000 |
52 |
|
0 |
31 |
8 |
364529 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
27 |
8 |
10173 |
227.3 |
-2.2 |
0.773 |
2 |
0 |
0 |
0.000 |
53 |
|
N |
31 |
9 |
10845 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
9660 |
217.1 |
1.2 |
0.684 |
2 |
0 |
0 |
0.000 |
54 |
|
U |
15 |
4 |
3977 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
18390 |
176.8 |
-1.4 |
0.329 |
5 |
0 |
0 |
0.000 |
55 |
|
O |
16 |
4 |
6503 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
14416 |
174.6 |
-1.2 |
0.282 |
0 |
0 |
0 |
0.000 |
56 |
|
2 |
22 |
5 |
5078 |
◊ |
1 |
x,y,z |
1_555 |
20 |
7 |
4856 |
173.7 |
-2.1 |
0.274 |
1 |
1 |
0 |
0.003 |
57 |
|
9 |
28 |
3 |
19884 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
22 |
3 |
364529 |
172.4 |
-0.2 |
0.931 |
0 |
0 |
0 |
0.000 |
58 |
|
0 |
24 |
6 |
364529 |
◊ |
V |
x,-y+1,-z |
4_565 |
17 |
7 |
4552 |
171.6 |
-3.5 |
0.468 |
1 |
0 |
0 |
0.000 |
59 |
|
1 |
15 |
4 |
4856 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
14416 |
161.6 |
-0.9 |
0.422 |
3 |
4 |
0 |
0.002 |
60 |
|
3 |
11 |
4 |
7764 |
◊ |
M |
x,y,z |
1_555 |
23 |
6 |
12385 |
157.0 |
-2.7 |
0.107 |
1 |
0 |
0 |
0.002 |
61 |
|
[5AA]4:76 |
22 |
1 |
513 |
cf |
4 |
x,y,z |
1_555 |
19 |
2 |
1503 |
156.8 |
1.2 |
0.448 |
0 |
0 |
0 |
0.000 |
62 |
|
0 |
16 |
2 |
364529 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
20 |
4 |
364529 |
146.8 |
-5.4 |
0.539 |
1 |
0 |
0 |
0.000 |
63 |
|
[K]0:9002 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
23 |
11 |
364529 |
130.3 |
-89.2 |
0.000 |
0 |
0 |
0 |
0.123 |
64 |
|
O |
16 |
5 |
6503 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
11376 |
125.6 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
65 |
|
[K]0:9001 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
14 |
8 |
364529 |
121.7 |
-103.5 |
0.000 |
0 |
0 |
0 |
0.143 |
66 |
|
[PAE]4:177 |
6 |
1 |
221 |
◊ |
0 |
x,y,z |
1_555 |
22 |
7 |
364529 |
120.1 |
0.1 |
0.696 |
1 |
0 |
0 |
0.000 |
67 |
|
N |
17 |
7 |
10845 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
15 |
2 |
364529 |
114.7 |
-2.8 |
0.423 |
0 |
0 |
0 |
0.000 |
68 |
|
0 |
16 |
3 |
364529 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
16 |
3 |
364529 |
112.4 |
1.1 |
0.932 |
2 |
0 |
0 |
0.000 |
69 |
|
[K]0:9003 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
14 |
5 |
364529 |
111.2 |
-59.5 |
0.000 |
0 |
0 |
0 |
0.082 |
70 |
|
9 |
14 |
4 |
19884 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
9294 |
100.9 |
0.2 |
0.740 |
3 |
0 |
0 |
0.000 |
71 |
|
[CL]0:9305 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
20 |
7 |
364529 |
89.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.015 |
72 |
|
[OMG]0:2588 |
14 |
1 |
510 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
13 |
1 |
459 |
87.9 |
-0.5 |
0.536 |
0 |
0 |
0 |
0.000 |
73 |
|
T |
17 |
5 |
8067 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
14416 |
86.6 |
-1.1 |
0.304 |
0 |
0 |
0 |
0.000 |
74 |
|
[5AA]4:76 |
14 |
1 |
513 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
11 |
1 |
442 |
81.5 |
1.3 |
0.534 |
0 |
0 |
0 |
0.000 |
75 |
|
[K]0:9003 |
1 |
1 |
216 |
◊ |
4 |
x,y,z |
1_555 |
10 |
2 |
1503 |
75.2 |
-43.8 |
0.000 |
0 |
0 |
0 |
0.061 |
76 |
|
[CL]R:9306 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
10 |
4 |
8420 |
73.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.100 |
77 |
|
[CL]3:9304 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7764 |
70.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.100 |
78 |
|
[CL]M:9318 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
13 |
7 |
12385 |
68.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
79 |
|
[CD]O:9205 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
18 |
7 |
6503 |
68.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.049 |
80 |
|
[CL]0:9313 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
4 |
364529 |
67.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.013 |
81 |
|
[CL]0:9315 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
364529 |
67.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.014 |
82 |
|
[1MA]0:628 |
8 |
1 |
502 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10440 |
67.1 |
-2.4 |
0.203 |
0 |
0 |
0 |
0.002 |
83 |
|
[OMG]0:2588 |
5 |
1 |
510 |
◊ |
4 |
x,y,z |
1_555 |
6 |
2 |
1503 |
64.2 |
0.8 |
0.621 |
3 |
0 |
0 |
0.000 |
84 |
|
[CL]J:9302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
8478 |
63.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.035 |
85 |
|
[CL]0:9320 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
15 |
5 |
364529 |
63.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.009 |
86 |
|
[CL]J:9301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
14 |
5 |
8478 |
62.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.034 |
87 |
|
[CL]0:9322 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
364529 |
62.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.012 |
88 |
|
[CL]O:9308 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
10 |
4 |
6503 |
61.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.051 |
89 |
|
[CL]A:9309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14260 |
61.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.100 |
90 |
|
[CL]0:9314 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
12 |
4 |
11376 |
60.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.045 |
91 |
|
[PAE]4:177 |
6 |
1 |
221 |
cf |
4 |
x,y,z |
1_555 |
9 |
2 |
1503 |
59.1 |
-0.2 |
0.567 |
0 |
0 |
0 |
0.000 |
92 |
|
[CL]L:9310 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11376 |
58.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.055 |
93 |
|
[CL]B:9319 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18390 |
58.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.100 |
94 |
|
[CL]0:9303 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
5 |
364529 |
58.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.010 |
95 |
|
[CL]0:9311 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
12 |
7 |
6610 |
57.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.100 |
96 |
|
[CL]N:9307 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
10 |
4 |
10845 |
57.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.113 |
97 |
|
Y |
5 |
1 |
10440 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
11376 |
56.9 |
0.5 |
0.638 |
0 |
0 |
0 |
0.000 |
98 |
|
[CL]J:9321 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
6 |
8478 |
56.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.031 |
99 |
|
[CL]0:9317 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
8 |
3 |
10440 |
56.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.006 |
100 |
|
9 |
7 |
2 |
19884 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
6 |
2 |
18390 |
52.4 |
-0.2 |
0.645 |
2 |
0 |
0 |
0.000 |
101 |
|
[CL]0:9316 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
8478 |
52.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.006 |
102 |
|
W |
6 |
1 |
8108 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
10 |
1 |
364529 |
52.1 |
-0.7 |
0.292 |
0 |
0 |
0 |
0.000 |
103 |
|
[CL]0:9316 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
364529 |
52.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.009 |
104 |
|
[CL]0:9317 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
3 |
364529 |
51.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.010 |
105 |
|
[CL]0:9312 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
10 |
5 |
7245 |
50.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.100 |
106 |
|
[CL]0:9312 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
11 |
4 |
364529 |
49.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.007 |
107 |
|
[5AA]4:76 |
5 |
1 |
513 |
◊ |
[OMG]0:2588 |
x,y,z |
1_555 |
5 |
1 |
510 |
47.5 |
2.0 |
0.632 |
0 |
0 |
0 |
0.000 |
108 |
|
[CL]0:9320 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
5 |
3 |
10440 |
43.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.004 |
109 |
|
[CL]0:9314 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
364529 |
43.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.005 |
110 |
|
[K]0:9002 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
5 |
1 |
12385 |
41.6 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.022 |
111 |
|
[CL]O:9308 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
2 |
364529 |
41.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.006 |
112 |
|
D |
6 |
1 |
9660 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
18390 |
41.0 |
-0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
113 |
|
[CL]B:9319 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
364529 |
39.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.003 |
114 |
|
[CL]L:9310 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
7 |
2 |
364529 |
37.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.004 |
115 |
|
[CL]0:9311 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
2 |
364529 |
36.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
116 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9660 |
33.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
117 |
|
[CL]J:9321 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
364529 |
30.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.004 |
118 |
|
3 |
4 |
1 |
7764 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11376 |
30.4 |
0.7 |
0.514 |
0 |
0 |
0 |
0.000 |
119 |
|
[CL]0:9303 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
3 |
1 |
5078 |
29.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.005 |
120 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10173 |
25.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
121 |
|
[CL]A:9309 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
364529 |
25.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.004 |
122 |
|
G |
3 |
2 |
2756 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
364529 |
20.1 |
0.5 |
0.761 |
0 |
0 |
0 |
0.000 |
123 |
|
[PAE]4:177 |
3 |
1 |
221 |
f |
[5AA]4:76 |
x,y,z |
1_555 |
3 |
1 |
513 |
19.5 |
-0.1 |
0.427 |
1 |
0 |
0 |
0.000 |
124 |
|
0 |
2 |
2 |
364529 |
◊ |
F |
x,-y+1,-z |
4_565 |
3 |
1 |
6164 |
16.8 |
-1.2 |
0.312 |
0 |
0 |
0 |
0.000 |
125 |
|
[PAE]4:177 |
2 |
1 |
221 |
◊ |
[K]0:9003 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.011 |
126 |
|
[CL]0:9313 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10440 |
12.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
127 |
|
[CL]0:9322 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
3 |
1 |
8108 |
12.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
128 |
|
[CL]R:9306 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
364529 |
10.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
129 |
|
M |
2 |
1 |
12385 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14260 |
9.8 |
0.5 |
0.784 |
0 |
0 |
0 |
0.000 |
130 |
|
N |
1 |
1 |
10845 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10701 |
9.1 |
-0.2 |
0.326 |
0 |
0 |
0 |
0.000 |
131 |
|
[CL]0:9320 |
1 |
1 |
125 |
f |
[CL]0:9313 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
132 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19884 |
7.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
133 |
|
[PAE]4:177 |
1 |
1 |
221 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
2 |
1 |
442 |
6.5 |
-0.6 |
0.390 |
0 |
0 |
0 |
0.000 |
134 |
|
[UR3]0:2619 |
1 |
1 |
442 |
◊ |
4 |
x,y,z |
1_555 |
2 |
1 |
1503 |
5.1 |
-0.4 |
0.346 |
0 |
0 |
0 |
0.000 |
135 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
364529 |
3.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
136 |
|
[CL]J:9302 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
364529 |
3.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
137 |
|
2 |
1 |
1 |
5078 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
8420 |
2.8 |
0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
|