| ## |
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 |
830 |
141 |
366430 |
◊ |
B |
x,y,z |
1_555 |
744 |
163 |
18355 |
7177.5 |
-136.3 |
0.626 |
162 |
0 |
0 |
0.129 |
2 |
|
0 |
760 |
141 |
366430 |
◊ |
M |
x,y,z |
1_555 |
609 |
135 |
12406 |
6270.2 |
-118.3 |
0.635 |
137 |
0 |
0 |
0.204 |
3 |
|
0 |
730 |
115 |
366430 |
◊ |
A |
x,y,z |
1_555 |
614 |
131 |
14236 |
6132.3 |
-116.2 |
0.549 |
129 |
0 |
0 |
0.237 |
4 |
|
0 |
645 |
111 |
366430 |
◊ |
C |
x,y,z |
1_555 |
523 |
128 |
14384 |
5430.4 |
-87.9 |
0.736 |
108 |
0 |
0 |
0.104 |
5 |
|
0 |
479 |
95 |
366430 |
◊ |
P |
x,y,z |
1_555 |
394 |
93 |
10691 |
4205.1 |
-81.3 |
0.592 |
104 |
0 |
0 |
0.110 |
6 |
|
0 |
516 |
107 |
366430 |
◊ |
L |
x,y,z |
1_555 |
373 |
82 |
11363 |
4061.0 |
-68.2 |
0.599 |
100 |
0 |
0 |
0.100 |
7 |
|
0 |
492 |
95 |
366430 |
◊ |
Y |
x,y,z |
1_555 |
380 |
87 |
10433 |
4031.0 |
-72.7 |
0.739 |
85 |
0 |
0 |
0.106 |
8 |
|
0 |
374 |
67 |
366430 |
◊ |
R |
x,y,z |
1_555 |
323 |
81 |
8429 |
3096.8 |
-54.9 |
0.602 |
68 |
0 |
0 |
0.089 |
9 |
|
0 |
367 |
61 |
366430 |
◊ |
3 |
x,y,z |
1_555 |
319 |
68 |
7791 |
3034.6 |
-62.3 |
0.296 |
52 |
0 |
0 |
0.086 |
10 |
|
0 |
376 |
77 |
366430 |
◊ |
1 |
x,y,z |
1_555 |
269 |
54 |
4888 |
2879.7 |
-56.4 |
0.660 |
54 |
0 |
0 |
0.094 |
11 |
|
0 |
334 |
60 |
366430 |
◊ |
T |
x,y,z |
1_555 |
276 |
67 |
8124 |
2813.5 |
-40.7 |
0.828 |
62 |
0 |
0 |
0.084 |
12 |
|
0 |
315 |
56 |
366430 |
◊ |
H |
x,y,z |
1_555 |
277 |
59 |
9368 |
2652.8 |
-45.9 |
0.582 |
49 |
0 |
0 |
0.083 |
13 |
|
0 |
295 |
57 |
366430 |
◊ |
Q |
x,y,z |
1_555 |
247 |
59 |
6646 |
2485.6 |
-52.6 |
0.545 |
63 |
0 |
0 |
0.089 |
14 |
|
0 |
273 |
48 |
366430 |
◊ |
J |
x,y,z |
1_555 |
261 |
68 |
8482 |
2416.8 |
-35.7 |
0.659 |
44 |
0 |
0 |
0.069 |
15 |
|
0 |
330 |
53 |
366430 |
◊ |
2 |
x,y,z |
1_555 |
230 |
44 |
5076 |
2406.6 |
-30.5 |
0.594 |
29 |
0 |
0 |
0.067 |
16 |
|
9 |
279 |
43 |
20003 |
◊ |
N |
x,y,z |
1_555 |
242 |
64 |
10869 |
2299.8 |
-37.1 |
0.888 |
58 |
0 |
0 |
0.873 |
17 |
|
0 |
230 |
38 |
366430 |
◊ |
W |
x,y,z |
1_555 |
210 |
54 |
8168 |
2038.6 |
-36.3 |
0.489 |
39 |
0 |
0 |
0.074 |
18 |
|
0 |
229 |
45 |
366430 |
◊ |
K |
x,y,z |
1_555 |
195 |
49 |
7241 |
1892.7 |
-32.7 |
0.664 |
45 |
0 |
0 |
0.077 |
19 |
|
0 |
215 |
31 |
366430 |
◊ |
O |
x,y,z |
1_555 |
190 |
50 |
6508 |
1846.5 |
-25.8 |
0.763 |
43 |
0 |
0 |
0.070 |
20 |
|
0 |
211 |
40 |
366430 |
◊ |
X |
x,y,z |
1_555 |
163 |
38 |
5099 |
1687.6 |
-27.7 |
0.673 |
31 |
0 |
0 |
0.064 |
21 |
|
0 |
203 |
36 |
366430 |
◊ |
E |
x,y,z |
1_555 |
165 |
45 |
10191 |
1651.6 |
-23.9 |
0.430 |
22 |
0 |
0 |
0.052 |
22 |
|
9 |
143 |
20 |
20003 |
◊ |
D |
x,y,z |
1_555 |
122 |
32 |
9523 |
1243.7 |
-19.0 |
0.697 |
16 |
0 |
0 |
1.000 |
23 |
|
0 |
168 |
35 |
366430 |
◊ |
Z |
x,y,z |
1_555 |
119 |
35 |
5639 |
1242.7 |
-13.8 |
0.710 |
21 |
0 |
0 |
0.036 |
24 |
|
0 |
125 |
19 |
366430 |
◊ |
N |
x,y,z |
1_555 |
118 |
30 |
10869 |
1110.3 |
-8.7 |
0.351 |
12 |
0 |
0 |
0.018 |
25 |
|
0 |
117 |
19 |
366430 |
◊ |
D |
x,y,z |
1_555 |
124 |
41 |
9523 |
1064.0 |
-11.4 |
0.899 |
19 |
0 |
0 |
0.031 |
26 |
|
Z |
113 |
33 |
5639 |
◊ |
A |
x,y,z |
1_555 |
110 |
34 |
14236 |
1047.7 |
-14.2 |
0.018 |
19 |
2 |
0 |
0.031 |
27 |
|
9 |
116 |
22 |
20003 |
◊ |
0 |
x,y,z |
1_555 |
141 |
35 |
366430 |
1032.5 |
-24.0 |
0.958 |
11 |
0 |
0 |
0.045 |
28 |
|
0 |
126 |
25 |
366430 |
◊ |
S |
x,y,z |
1_555 |
97 |
32 |
5199 |
999.9 |
-17.4 |
0.747 |
21 |
0 |
0 |
0.041 |
29 |
|
0 |
119 |
21 |
366430 |
◊ |
V |
x,y,z |
1_555 |
113 |
28 |
4501 |
989.8 |
-13.9 |
0.756 |
25 |
0 |
0 |
0.039 |
30 |
|
0 |
105 |
18 |
366430 |
◊ |
I |
x,y,z |
1_555 |
102 |
29 |
4413 |
933.4 |
-18.4 |
0.622 |
15 |
0 |
0 |
0.039 |
31 |
|
M |
76 |
21 |
12406 |
◊ |
F |
x,y,z |
1_555 |
72 |
18 |
6129 |
697.5 |
-9.3 |
0.034 |
9 |
4 |
0 |
0.016 |
32 |
|
0 |
88 |
16 |
366430 |
◊ |
U |
x,y,z |
1_555 |
68 |
18 |
3948 |
696.3 |
-10.1 |
0.787 |
10 |
0 |
0 |
0.020 |
33 |
|
0 |
71 |
10 |
366430 |
◊ |
F |
x,y,z |
1_555 |
54 |
20 |
6129 |
630.0 |
-13.3 |
0.516 |
19 |
0 |
0 |
0.030 |
34 |
|
4 |
56 |
4 |
1054 |
◊ |
0 |
x,y,z |
1_555 |
81 |
14 |
366430 |
602.1 |
-4.3 |
0.657 |
9 |
0 |
0 |
0.000 |
35 |
|
9 |
70 |
11 |
20003 |
◊ |
W |
x,y,z |
1_555 |
54 |
19 |
8168 |
551.3 |
-7.9 |
0.697 |
8 |
0 |
0 |
0.016 |
36 |
|
Q |
54 |
13 |
6646 |
◊ |
N |
x,y,z |
1_555 |
60 |
16 |
10869 |
510.3 |
-8.1 |
0.057 |
3 |
0 |
0 |
0.000 |
37 |
|
U |
50 |
15 |
3948 |
◊ |
K |
x,y,z |
1_555 |
51 |
16 |
7241 |
501.5 |
-8.0 |
0.052 |
6 |
1 |
0 |
0.000 |
38 |
|
0 |
55 |
9 |
366430 |
◊ |
G |
x,y,z |
1_555 |
47 |
13 |
2787 |
476.8 |
-6.3 |
0.783 |
10 |
0 |
0 |
0.000 |
39 |
|
K |
35 |
12 |
7241 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
35 |
12 |
7241 |
382.5 |
0.4 |
0.500 |
6 |
4 |
0 |
0.000 |
40 |
|
[SPS]4:9701 |
23 |
1 |
571 |
f |
0 |
x,y,z |
1_555 |
52 |
9 |
366430 |
348.2 |
-1.1 |
0.660 |
2 |
0 |
0 |
0.003 |
41 |
|
V |
36 |
10 |
4501 |
◊ |
S |
x,y,z |
1_555 |
36 |
10 |
5199 |
333.6 |
-4.7 |
0.151 |
1 |
1 |
0 |
0.008 |
42 |
|
[1MA]0:628 |
22 |
1 |
503 |
cf |
0 |
x,y,z |
1_555 |
51 |
11 |
366430 |
328.0 |
-2.0 |
0.763 |
5 |
0 |
0 |
0.006 |
43 |
|
[OMG]0:2588 |
24 |
1 |
505 |
cf |
0 |
x,y,z |
1_555 |
46 |
7 |
366430 |
292.0 |
-2.4 |
0.788 |
2 |
0 |
0 |
0.005 |
44 |
|
K |
29 |
10 |
7241 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
18355 |
287.8 |
-2.2 |
0.262 |
2 |
0 |
0 |
0.000 |
45 |
|
[UR3]0:2619 |
21 |
1 |
452 |
cf |
0 |
x,y,z |
1_555 |
45 |
7 |
366430 |
286.5 |
-0.8 |
0.852 |
0 |
0 |
0 |
0.001 |
46 |
|
[OMU]0:2587 |
20 |
1 |
455 |
cf |
0 |
x,y,z |
1_555 |
49 |
11 |
366430 |
279.3 |
-1.4 |
0.821 |
1 |
0 |
0 |
0.003 |
47 |
|
J |
28 |
6 |
8482 |
◊ |
E |
x,y,z |
1_555 |
29 |
8 |
10191 |
269.8 |
-3.1 |
0.147 |
3 |
0 |
0 |
0.006 |
48 |
|
2 |
31 |
7 |
5076 |
◊ |
S |
x,y,z |
1_555 |
30 |
9 |
5199 |
265.7 |
-2.8 |
0.222 |
3 |
1 |
0 |
0.007 |
49 |
|
9 |
33 |
7 |
20003 |
◊ |
Q |
x,y,z |
1_555 |
25 |
6 |
6646 |
257.8 |
-2.7 |
0.760 |
5 |
0 |
0 |
0.000 |
50 |
|
[PSU]0:2621 |
18 |
1 |
427 |
cf |
0 |
x,y,z |
1_555 |
42 |
7 |
366430 |
250.9 |
-1.9 |
0.735 |
3 |
0 |
0 |
0.005 |
51 |
|
J |
28 |
9 |
8482 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
18355 |
241.2 |
0.3 |
0.504 |
6 |
0 |
0 |
0.000 |
52 |
|
N |
29 |
9 |
10869 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
9523 |
227.8 |
1.6 |
0.712 |
4 |
0 |
0 |
0.000 |
53 |
|
O |
17 |
4 |
6508 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
14384 |
176.5 |
-1.5 |
0.249 |
0 |
0 |
0 |
0.000 |
54 |
|
U |
15 |
4 |
3948 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
18355 |
174.4 |
-1.5 |
0.326 |
4 |
0 |
0 |
0.000 |
55 |
|
2 |
21 |
5 |
5076 |
◊ |
1 |
x,y,z |
1_555 |
19 |
6 |
4888 |
173.7 |
-2.7 |
0.222 |
0 |
0 |
0 |
0.003 |
56 |
|
0 |
23 |
6 |
366430 |
◊ |
V |
x,-y+1,-z |
4_565 |
16 |
6 |
4501 |
167.7 |
-3.4 |
0.448 |
1 |
0 |
0 |
0.000 |
57 |
|
[SPS]4:9701 |
18 |
1 |
571 |
◊ |
4 |
x,y,z |
1_555 |
18 |
3 |
1054 |
159.5 |
2.6 |
0.763 |
1 |
0 |
0 |
0.000 |
58 |
|
1 |
15 |
4 |
4888 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
14384 |
159.3 |
-1.3 |
0.359 |
3 |
3 |
0 |
0.002 |
59 |
|
9 |
25 |
3 |
20003 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
19 |
2 |
366430 |
159.3 |
-0.7 |
0.902 |
0 |
0 |
0 |
0.000 |
60 |
|
0 |
17 |
2 |
366430 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
4 |
366430 |
153.4 |
-5.6 |
0.562 |
2 |
0 |
0 |
0.000 |
61 |
|
3 |
11 |
4 |
7791 |
◊ |
M |
x,y,z |
1_555 |
21 |
6 |
12406 |
148.0 |
-2.9 |
0.096 |
1 |
0 |
0 |
0.002 |
62 |
|
[K]0:9002 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
22 |
10 |
366430 |
131.0 |
-85.2 |
0.000 |
0 |
0 |
0 |
0.132 |
63 |
|
9 |
13 |
3 |
20003 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
9368 |
130.0 |
0.5 |
0.723 |
2 |
0 |
0 |
0.000 |
64 |
|
0 |
21 |
4 |
366430 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
21 |
4 |
366430 |
123.2 |
1.6 |
0.961 |
2 |
0 |
0 |
0.000 |
65 |
|
[K]0:9001 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
15 |
8 |
366430 |
120.1 |
-104.2 |
0.000 |
0 |
0 |
0 |
0.161 |
66 |
|
N |
14 |
7 |
10869 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
16 |
2 |
366430 |
115.7 |
-2.5 |
0.439 |
0 |
0 |
0 |
0.000 |
67 |
|
O |
16 |
6 |
6508 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11363 |
115.5 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
68 |
|
[OMG]0:2588 |
13 |
1 |
505 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
14 |
1 |
455 |
93.2 |
-0.6 |
0.529 |
0 |
0 |
0 |
0.000 |
69 |
|
[CL]0:9305 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
21 |
8 |
366430 |
88.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.017 |
70 |
|
0 |
15 |
5 |
366430 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
15 |
5 |
10191 |
87.5 |
-0.5 |
0.705 |
0 |
0 |
0 |
0.000 |
71 |
|
T |
15 |
5 |
8124 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
14384 |
87.3 |
-1.0 |
0.310 |
0 |
0 |
0 |
0.000 |
72 |
|
[ACA]4:78 |
4 |
1 |
196 |
◊ |
0 |
x,y,z |
1_555 |
15 |
6 |
366430 |
79.8 |
2.4 |
0.084 |
1 |
0 |
0 |
0.000 |
73 |
|
[CL]R:9306 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
9 |
4 |
8429 |
73.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.100 |
74 |
|
W |
9 |
2 |
8168 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
12 |
1 |
366430 |
71.9 |
-1.3 |
0.305 |
0 |
0 |
0 |
0.000 |
75 |
|
[CL]3:9304 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7791 |
68.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.100 |
76 |
|
[1MA]0:628 |
8 |
1 |
503 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10433 |
68.0 |
-2.2 |
0.213 |
0 |
0 |
0 |
0.002 |
77 |
|
[CL]0:9315 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
366430 |
68.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.015 |
78 |
|
[ACA]4:78 |
4 |
1 |
196 |
cf |
4 |
x,y,z |
1_555 |
7 |
1 |
1054 |
67.7 |
2.1 |
0.065 |
0 |
0 |
0 |
0.000 |
79 |
|
[CL]0:9313 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
366430 |
67.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.015 |
80 |
|
[CL]M:9318 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
12406 |
67.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
81 |
|
[CD]O:9205 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
12 |
6 |
6508 |
65.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.049 |
82 |
|
[CL]J:9302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8482 |
62.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.036 |
83 |
|
[CL]0:9322 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
366430 |
62.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.014 |
84 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
5 |
366430 |
61.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.009 |
85 |
|
[CL]O:9308 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
9 |
4 |
6508 |
61.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.051 |
86 |
|
[CL]J:9301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
8482 |
60.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.032 |
87 |
|
[CL]A:9309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14236 |
60.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.100 |
88 |
|
[CL]0:9314 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11363 |
60.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.046 |
89 |
|
[CL]B:9319 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18355 |
59.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
90 |
|
[CL]L:9310 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
12 |
4 |
11363 |
59.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.054 |
91 |
|
[CL]0:9311 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
13 |
6 |
6646 |
58.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.100 |
92 |
|
Y |
7 |
1 |
10433 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
11363 |
58.7 |
0.8 |
0.638 |
0 |
0 |
0 |
0.000 |
93 |
|
[CL]N:9307 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
10 |
3 |
10869 |
58.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.112 |
94 |
|
[CL]J:9321 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
8482 |
58.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.032 |
95 |
|
[CL]0:9303 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
366430 |
57.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.011 |
96 |
|
[CL]0:9317 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
8 |
3 |
10433 |
55.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.006 |
97 |
|
[CL]0:9316 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
366430 |
54.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.011 |
98 |
|
[CL]0:9317 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
9 |
3 |
366430 |
51.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.011 |
99 |
|
[CL]0:9316 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
8482 |
51.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.006 |
100 |
|
9 |
7 |
2 |
20003 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
18355 |
50.5 |
1.1 |
0.830 |
2 |
0 |
0 |
0.000 |
101 |
|
[CL]0:9312 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
10 |
5 |
7241 |
50.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.100 |
102 |
|
[K]0:9002 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
8 |
1 |
12406 |
49.2 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.031 |
103 |
|
[CL]0:9312 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
11 |
4 |
366430 |
48.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.008 |
104 |
|
[CL]Y:9320 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
5 |
3 |
10433 |
46.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.004 |
105 |
|
[CL]0:9314 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
366430 |
43.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.005 |
106 |
|
[CL]O:9308 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
2 |
366430 |
42.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.007 |
107 |
|
[SPS]4:9701 |
6 |
1 |
571 |
f |
[UR3]0:2619 |
x,y,z |
1_555 |
5 |
1 |
452 |
40.4 |
-1.4 |
0.434 |
0 |
0 |
0 |
0.002 |
108 |
|
[CL]B:9319 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
366430 |
38.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.003 |
109 |
|
0 |
5 |
2 |
366430 |
◊ |
F |
x,-y+1,-z |
4_565 |
6 |
1 |
6129 |
38.1 |
-1.7 |
0.397 |
0 |
0 |
0 |
0.000 |
110 |
|
[CL]L:9310 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366430 |
35.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.003 |
111 |
|
[CL]0:9311 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
2 |
366430 |
35.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.005 |
112 |
|
D |
5 |
1 |
9523 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
18355 |
34.9 |
-0.4 |
0.449 |
0 |
0 |
0 |
0.000 |
113 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9523 |
32.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
114 |
|
[SPS]4:9701 |
2 |
1 |
571 |
◊ |
[ACA]4:78 |
x,y,z |
1_555 |
3 |
1 |
196 |
32.5 |
0.3 |
0.470 |
0 |
0 |
0 |
0.000 |
115 |
|
[CL]J:9321 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
366430 |
32.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.005 |
116 |
|
[CL]0:9303 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5076 |
27.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
117 |
|
3 |
4 |
1 |
7791 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11363 |
27.2 |
0.6 |
0.532 |
0 |
0 |
0 |
0.000 |
118 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10191 |
26.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
119 |
|
G |
5 |
2 |
2787 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
366430 |
24.1 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
120 |
|
[CL]A:9309 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
366430 |
22.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
121 |
|
[CL]R:9306 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
366430 |
12.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
122 |
|
[CL]0:9313 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10433 |
11.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
123 |
|
[CD]O:9205 |
1 |
1 |
112 |
◊ |
0 |
x,y,z |
1_555 |
2 |
2 |
366430 |
8.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.002 |
124 |
|
N |
1 |
1 |
10869 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10691 |
7.6 |
-0.2 |
0.352 |
0 |
0 |
0 |
0.000 |
125 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
3 |
2 |
20003 |
7.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
126 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
[CL]0:9313 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
127 |
|
[CL]0:9322 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
2 |
1 |
8168 |
6.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
128 |
|
M |
2 |
1 |
12406 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14236 |
5.7 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
129 |
|
[UR3]0:2619 |
2 |
1 |
452 |
◊ |
4 |
x,y,z |
1_555 |
1 |
1 |
1054 |
4.9 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
130 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366430 |
3.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
131 |
|
[CL]J:9302 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
366430 |
1.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
132 |
|
2 |
1 |
1 |
5076 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
8429 |
0.3 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
|