| ## |
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 |
841 |
141 |
365676 |
◊ |
B |
x,y,z |
1_555 |
753 |
169 |
18505 |
7190.6 |
-134.9 |
0.656 |
165 |
0 |
0 |
0.133 |
2 |
|
0 |
803 |
151 |
365676 |
◊ |
L |
x,y,z |
1_555 |
633 |
138 |
12811 |
6601.0 |
-130.8 |
0.574 |
140 |
0 |
0 |
0.237 |
3 |
|
0 |
746 |
115 |
365676 |
◊ |
A |
x,y,z |
1_555 |
600 |
132 |
14385 |
6099.9 |
-105.1 |
0.469 |
129 |
0 |
0 |
0.223 |
4 |
|
0 |
655 |
112 |
365676 |
◊ |
C |
x,y,z |
1_555 |
525 |
129 |
14443 |
5377.4 |
-87.8 |
0.658 |
94 |
0 |
0 |
0.108 |
5 |
|
0 |
485 |
96 |
365676 |
◊ |
O |
x,y,z |
1_555 |
387 |
93 |
10788 |
4196.7 |
-76.0 |
0.631 |
102 |
0 |
0 |
0.108 |
6 |
|
0 |
501 |
96 |
365676 |
◊ |
X |
x,y,z |
1_555 |
381 |
87 |
10471 |
4066.8 |
-71.3 |
0.719 |
87 |
0 |
0 |
0.104 |
7 |
|
0 |
513 |
106 |
365676 |
◊ |
K |
x,y,z |
1_555 |
374 |
82 |
11459 |
3993.3 |
-63.2 |
0.560 |
86 |
0 |
0 |
0.102 |
8 |
|
0 |
378 |
71 |
365676 |
◊ |
Q |
x,y,z |
1_555 |
329 |
81 |
8493 |
3049.1 |
-52.2 |
0.482 |
68 |
0 |
0 |
0.086 |
9 |
|
0 |
374 |
61 |
365676 |
◊ |
2 |
x,y,z |
1_555 |
318 |
67 |
7809 |
3043.5 |
-57.6 |
0.338 |
49 |
0 |
0 |
0.095 |
10 |
|
0 |
375 |
76 |
365676 |
◊ |
Z |
x,y,z |
1_555 |
267 |
54 |
4859 |
2830.5 |
-56.3 |
0.592 |
54 |
0 |
0 |
0.091 |
11 |
|
0 |
344 |
57 |
365676 |
◊ |
S |
x,y,z |
1_555 |
282 |
69 |
8104 |
2808.0 |
-38.9 |
0.838 |
54 |
0 |
0 |
0.085 |
12 |
|
0 |
308 |
55 |
365676 |
◊ |
H |
x,y,z |
1_555 |
266 |
60 |
8768 |
2619.1 |
-54.4 |
0.498 |
43 |
0 |
0 |
0.095 |
13 |
|
0 |
295 |
60 |
365676 |
◊ |
P |
x,y,z |
1_555 |
248 |
59 |
6612 |
2470.2 |
-55.0 |
0.456 |
57 |
0 |
0 |
0.088 |
14 |
|
0 |
278 |
49 |
365676 |
◊ |
I |
x,y,z |
1_555 |
252 |
69 |
8551 |
2396.1 |
-35.1 |
0.575 |
34 |
0 |
0 |
0.068 |
15 |
|
0 |
323 |
52 |
365676 |
◊ |
1 |
x,y,z |
1_555 |
226 |
44 |
5042 |
2374.1 |
-30.6 |
0.608 |
29 |
0 |
0 |
0.059 |
16 |
|
9 |
273 |
43 |
19772 |
◊ |
M |
x,y,z |
1_555 |
237 |
65 |
10838 |
2304.5 |
-35.0 |
0.894 |
58 |
0 |
0 |
0.865 |
17 |
|
0 |
244 |
40 |
365676 |
◊ |
V |
x,y,z |
1_555 |
208 |
52 |
8249 |
2041.7 |
-37.2 |
0.344 |
37 |
0 |
0 |
0.072 |
18 |
|
0 |
234 |
45 |
365676 |
◊ |
J |
x,y,z |
1_555 |
199 |
49 |
7326 |
1917.3 |
-31.3 |
0.720 |
48 |
0 |
0 |
0.072 |
19 |
|
0 |
214 |
31 |
365676 |
◊ |
N |
x,y,z |
1_555 |
184 |
52 |
6560 |
1840.2 |
-23.2 |
0.781 |
41 |
0 |
0 |
0.056 |
20 |
|
0 |
214 |
40 |
365676 |
◊ |
W |
x,y,z |
1_555 |
163 |
37 |
5191 |
1680.5 |
-24.4 |
0.716 |
29 |
0 |
0 |
0.051 |
21 |
|
0 |
210 |
36 |
365676 |
◊ |
E |
x,y,z |
1_555 |
167 |
46 |
10364 |
1640.1 |
-23.6 |
0.257 |
23 |
0 |
0 |
0.046 |
22 |
|
9 |
148 |
21 |
19772 |
◊ |
D |
x,y,z |
1_555 |
129 |
34 |
9859 |
1288.2 |
-20.5 |
0.753 |
19 |
0 |
0 |
0.040 |
23 |
|
0 |
183 |
37 |
365676 |
◊ |
Y |
x,y,z |
1_555 |
123 |
37 |
5672 |
1284.2 |
-21.7 |
0.870 |
20 |
0 |
0 |
0.042 |
24 |
|
0 |
134 |
19 |
365676 |
◊ |
M |
x,y,z |
1_555 |
121 |
31 |
10838 |
1136.1 |
-7.9 |
0.345 |
10 |
0 |
0 |
0.015 |
25 |
|
0 |
117 |
19 |
365676 |
◊ |
D |
x,y,z |
1_555 |
124 |
41 |
9859 |
1087.8 |
-12.3 |
0.876 |
18 |
0 |
0 |
0.028 |
26 |
|
9 |
128 |
24 |
19772 |
◊ |
0 |
x,y,z |
1_555 |
148 |
36 |
365676 |
1076.1 |
-23.8 |
0.972 |
12 |
0 |
0 |
0.040 |
27 |
|
Y |
111 |
32 |
5672 |
◊ |
A |
x,y,z |
1_555 |
115 |
36 |
14385 |
1063.4 |
-16.4 |
0.095 |
14 |
3 |
0 |
0.595 |
28 |
|
0 |
122 |
27 |
365676 |
◊ |
R |
x,y,z |
1_555 |
101 |
33 |
5217 |
986.4 |
-18.1 |
0.689 |
20 |
0 |
0 |
0.037 |
29 |
|
0 |
120 |
21 |
365676 |
◊ |
U |
x,y,z |
1_555 |
106 |
28 |
4566 |
984.1 |
-14.2 |
0.721 |
18 |
0 |
0 |
0.030 |
30 |
|
L |
72 |
20 |
12811 |
◊ |
F |
x,y,z |
1_555 |
74 |
17 |
6125 |
692.7 |
-8.4 |
0.058 |
8 |
4 |
0 |
0.015 |
31 |
|
0 |
90 |
16 |
365676 |
◊ |
T |
x,y,z |
1_555 |
75 |
19 |
4022 |
687.3 |
-9.1 |
0.777 |
8 |
0 |
0 |
0.017 |
32 |
|
0 |
68 |
10 |
365676 |
◊ |
F |
x,y,z |
1_555 |
57 |
20 |
6125 |
616.5 |
-11.4 |
0.534 |
18 |
0 |
0 |
0.027 |
33 |
|
9 |
69 |
11 |
19772 |
◊ |
V |
x,y,z |
1_555 |
49 |
16 |
8249 |
540.7 |
-7.3 |
0.715 |
8 |
0 |
0 |
0.014 |
34 |
|
T |
52 |
14 |
4022 |
◊ |
J |
x,y,z |
1_555 |
52 |
17 |
7326 |
524.3 |
-7.4 |
0.073 |
6 |
1 |
0 |
0.011 |
35 |
|
P |
52 |
13 |
6612 |
◊ |
M |
x,y,z |
1_555 |
64 |
17 |
10838 |
508.5 |
-7.3 |
0.092 |
3 |
0 |
0 |
0.000 |
36 |
|
0 |
56 |
9 |
365676 |
◊ |
G |
x,y,z |
1_555 |
54 |
13 |
2758 |
465.6 |
-5.2 |
0.773 |
7 |
0 |
0 |
0.000 |
37 |
|
U |
38 |
10 |
4566 |
◊ |
R |
x,y,z |
1_555 |
49 |
13 |
5217 |
373.2 |
-4.6 |
0.153 |
0 |
0 |
0 |
0.006 |
38 |
|
J |
40 |
12 |
7326 |
◊ |
J |
-x+1,y,-z+1/2 |
3_655 |
40 |
12 |
7326 |
361.9 |
-1.7 |
0.318 |
2 |
2 |
0 |
0.000 |
39 |
|
R |
30 |
8 |
5217 |
◊ |
5 |
x,y,z |
1_555 |
30 |
9 |
3336 |
300.6 |
-4.7 |
0.146 |
5 |
3 |
0 |
0.000 |
40 |
|
J |
25 |
8 |
7326 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
18505 |
279.8 |
-1.3 |
0.356 |
2 |
0 |
0 |
0.000 |
41 |
|
I |
28 |
6 |
8551 |
◊ |
E |
x,y,z |
1_555 |
29 |
8 |
10364 |
273.3 |
-3.6 |
0.103 |
2 |
0 |
0 |
0.006 |
42 |
|
R |
33 |
8 |
5217 |
◊ |
1 |
x,y,z |
1_555 |
30 |
7 |
5042 |
259.6 |
-3.1 |
0.182 |
1 |
0 |
0 |
0.005 |
43 |
|
9 |
36 |
7 |
19772 |
◊ |
P |
x,y,z |
1_555 |
28 |
6 |
6612 |
255.5 |
-2.2 |
0.790 |
7 |
0 |
0 |
0.000 |
44 |
|
I |
26 |
10 |
8551 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
18505 |
233.6 |
0.6 |
0.545 |
5 |
1 |
0 |
0.000 |
45 |
|
M |
29 |
9 |
10838 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
9859 |
206.1 |
0.0 |
0.580 |
2 |
0 |
0 |
0.001 |
46 |
|
0 |
33 |
7 |
365676 |
◊ |
5 |
x,y,z |
1_555 |
25 |
7 |
3336 |
198.6 |
-1.4 |
0.778 |
4 |
0 |
0 |
0.000 |
47 |
|
0 |
27 |
4 |
365676 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
27 |
4 |
365676 |
181.5 |
1.2 |
0.966 |
2 |
0 |
0 |
0.000 |
48 |
|
9 |
31 |
3 |
19772 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
24 |
3 |
365676 |
175.9 |
-0.3 |
0.930 |
0 |
0 |
0 |
0.000 |
49 |
|
T |
17 |
5 |
4022 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
18505 |
174.1 |
-1.4 |
0.341 |
4 |
0 |
0 |
0.000 |
50 |
|
Z |
20 |
7 |
4859 |
◊ |
1 |
x,y,z |
1_555 |
21 |
5 |
5042 |
173.1 |
-2.2 |
0.269 |
0 |
0 |
0 |
0.003 |
51 |
|
N |
16 |
4 |
6560 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
14443 |
173.0 |
-2.0 |
0.182 |
0 |
0 |
0 |
0.000 |
52 |
|
Z |
15 |
4 |
4859 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
14443 |
167.0 |
-1.1 |
0.385 |
4 |
4 |
0 |
0.003 |
53 |
|
0 |
22 |
5 |
365676 |
◊ |
U |
x,-y+1,-z |
4_565 |
20 |
7 |
4566 |
157.9 |
-3.3 |
0.417 |
2 |
0 |
0 |
0.000 |
54 |
|
0 |
16 |
2 |
365676 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
4 |
365676 |
155.4 |
-5.4 |
0.557 |
1 |
0 |
0 |
0.000 |
55 |
|
L |
23 |
6 |
12811 |
◊ |
2 |
x,y,z |
1_555 |
14 |
4 |
7809 |
151.8 |
-3.4 |
0.091 |
1 |
0 |
0 |
0.003 |
56 |
|
[K]0:3978 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
32 |
13 |
365676 |
137.7 |
-88.8 |
0.000 |
0 |
0 |
0 |
0.122 |
57 |
|
[K]0:3977 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
14 |
7 |
365676 |
124.3 |
-101.9 |
0.000 |
0 |
0 |
0 |
0.140 |
58 |
|
0 |
22 |
7 |
365676 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
18 |
6 |
10364 |
122.1 |
-0.6 |
0.797 |
0 |
0 |
0 |
0.000 |
59 |
|
N |
15 |
6 |
6560 |
◊ |
K |
x,y,z |
1_555 |
11 |
4 |
11459 |
119.3 |
0.1 |
0.485 |
0 |
0 |
0 |
0.000 |
60 |
|
M |
19 |
8 |
10838 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
16 |
2 |
365676 |
114.2 |
-1.9 |
0.497 |
0 |
0 |
0 |
0.000 |
61 |
|
9 |
15 |
4 |
19772 |
◊ |
H |
x,y,z |
1_555 |
19 |
6 |
8768 |
111.0 |
-0.4 |
0.676 |
0 |
0 |
0 |
0.000 |
62 |
|
S |
17 |
5 |
8104 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14443 |
90.9 |
-1.0 |
0.321 |
0 |
0 |
0 |
0.000 |
63 |
|
[CL]0:4036 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
18 |
7 |
365676 |
83.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.015 |
64 |
|
U |
9 |
5 |
4566 |
◊ |
5 |
x,y,z |
1_555 |
10 |
4 |
3336 |
81.2 |
-1.5 |
0.338 |
0 |
0 |
0 |
0.000 |
65 |
|
[CL]Q:1153 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
9 |
4 |
8493 |
75.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.100 |
66 |
|
O |
7 |
3 |
10788 |
◊ |
5 |
x,y,z |
1_555 |
8 |
2 |
3336 |
70.5 |
-0.8 |
0.268 |
0 |
0 |
0 |
0.000 |
67 |
|
[CL]2:1094 |
1 |
1 |
125 |
f |
2 |
x,y,z |
1_555 |
13 |
7 |
7809 |
69.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.053 |
68 |
|
[CD]N:1116 |
1 |
1 |
112 |
f |
N |
x,y,z |
1_555 |
17 |
7 |
6560 |
68.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.046 |
69 |
|
[CL]0:4037 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
4 |
365676 |
66.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.013 |
70 |
|
[CL]0:4038 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
365676 |
65.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.012 |
71 |
|
[CL]I:1147 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
13 |
5 |
8551 |
65.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.035 |
72 |
|
[CL]N:1117 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
10 |
4 |
6560 |
63.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.054 |
73 |
|
[CL]L:1196 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
6 |
5 |
12811 |
63.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
74 |
|
[CL]0:4035 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
365676 |
63.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.012 |
75 |
|
[CL]K:1151 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
12 |
3 |
11459 |
62.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.053 |
76 |
|
[CL]I:1148 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
13 |
4 |
8551 |
62.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.035 |
77 |
|
[CL]0:4041 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
365676 |
61.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.011 |
78 |
|
[CL]M:1187 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
8 |
3 |
10838 |
60.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.125 |
79 |
|
V |
8 |
2 |
8249 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
11 |
1 |
365676 |
60.6 |
-0.7 |
0.311 |
0 |
0 |
0 |
0.000 |
80 |
|
[CL]P:1097 |
1 |
1 |
125 |
f |
P |
x,y,z |
1_555 |
10 |
5 |
6612 |
58.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.100 |
81 |
|
[CL]I:1149 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
11 |
6 |
8551 |
58.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.030 |
82 |
|
[CL]B:1342 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
18505 |
58.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.100 |
83 |
|
[CL]3:8510 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
13 |
4 |
11459 |
57.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.047 |
84 |
|
[CD]T:1057 |
1 |
1 |
112 |
f |
T |
x,y,z |
1_555 |
7 |
5 |
4022 |
57.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.100 |
85 |
|
[CL]X:1237 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
11 |
4 |
365676 |
57.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.005 |
86 |
|
[CL]3:8509 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14385 |
57.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.194 |
87 |
|
[CD]2:1093 |
1 |
1 |
112 |
f |
2 |
x,y,z |
1_555 |
4 |
4 |
7809 |
56.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.047 |
88 |
|
[CL]0:4040 |
1 |
1 |
125 |
◊ |
X |
x,y,z |
1_555 |
5 |
3 |
10471 |
54.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.006 |
89 |
|
X |
6 |
1 |
10471 |
◊ |
K |
x,y,z |
1_555 |
9 |
4 |
11459 |
54.1 |
0.5 |
0.615 |
0 |
0 |
0 |
0.000 |
90 |
|
[CL]0:4039 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
365676 |
52.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.008 |
91 |
|
[CD]Y:1083 |
1 |
1 |
112 |
f |
Y |
x,y,z |
1_555 |
5 |
4 |
5672 |
51.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.212 |
92 |
|
[CL]0:4040 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
3 |
365676 |
51.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.010 |
93 |
|
9 |
8 |
2 |
19772 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
18505 |
50.9 |
0.7 |
0.811 |
3 |
0 |
0 |
0.000 |
94 |
|
[CL]0:4039 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
8551 |
50.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.007 |
95 |
|
[CL]J:1134 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
7326 |
50.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.100 |
96 |
|
[CL]J:1134 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
12 |
4 |
365676 |
48.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.007 |
97 |
|
[CL]X:1237 |
1 |
1 |
125 |
f |
X |
x,y,z |
1_555 |
7 |
3 |
10471 |
47.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.100 |
98 |
|
[K]0:3978 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
6 |
1 |
12811 |
43.4 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.029 |
99 |
|
[CL]K:1151 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
2 |
365676 |
38.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.004 |
100 |
|
[CL]B:1342 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
365676 |
37.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.003 |
101 |
|
[CL]N:1117 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
2 |
365676 |
35.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
102 |
|
[CL]3:8510 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365676 |
35.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.004 |
103 |
|
[CL]P:1097 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
1 |
365676 |
34.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.005 |
104 |
|
D |
7 |
1 |
9859 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
18505 |
33.4 |
-0.4 |
0.522 |
0 |
0 |
0 |
0.000 |
105 |
|
[CL]M:1187 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9859 |
30.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
106 |
|
K |
2 |
1 |
11459 |
◊ |
2 |
x,y,z |
1_555 |
3 |
1 |
7809 |
29.6 |
0.8 |
0.476 |
0 |
0 |
0 |
0.000 |
107 |
|
[CL]I:1149 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365676 |
27.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
108 |
|
[CL]I:1147 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10364 |
26.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
109 |
|
[CL]0:4035 |
1 |
1 |
125 |
◊ |
1 |
x,y,z |
1_555 |
2 |
1 |
5042 |
23.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.004 |
110 |
|
[CL]3:8509 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365676 |
16.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.003 |
111 |
|
[CL]0:4041 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
1 |
1 |
8249 |
15.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
112 |
|
G |
3 |
2 |
2758 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
365676 |
15.2 |
0.4 |
0.725 |
0 |
0 |
0 |
0.000 |
113 |
|
[CL]Q:1153 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365676 |
12.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
114 |
|
[CL]0:4037 |
1 |
1 |
125 |
◊ |
X |
x,y,z |
1_555 |
1 |
1 |
10471 |
11.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
115 |
|
[CD]Y:1083 |
1 |
1 |
112 |
◊ |
0 |
x,y,z |
1_555 |
2 |
1 |
365676 |
9.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
116 |
|
[CL]X:1237 |
1 |
1 |
125 |
◊ |
[CL]0:4037 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.001 |
117 |
|
M |
1 |
1 |
10838 |
◊ |
O |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10788 |
6.3 |
-0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
118 |
|
[CL]M:1187 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
1 |
1 |
19772 |
4.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
119 |
|
[CL]I:1148 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365676 |
1.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
120 |
|
0 |
1 |
1 |
365676 |
◊ |
F |
x,-y+1,-z |
4_565 |
1 |
1 |
6125 |
1.1 |
-0.1 |
0.425 |
0 |
0 |
0 |
0.000 |
121 |
|
[CL]I:1147 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365676 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|