## |
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 |
|
D |
922 |
236 |
68890 |
◊ |
C |
x,y,z |
1_555 |
862 |
219 |
53546 |
8739.6 |
-94.7 |
0.000 |
109 |
41 |
0 |
0.673 |
2 |
|
O |
911 |
239 |
68893 |
◊ |
N |
x,y,z |
1_555 |
865 |
219 |
53499 |
8699.5 |
-96.1 |
0.000 |
108 |
39 |
0 |
0.673 |
Average: |
8719.5 |
-95.4 |
0.000 |
109 |
40 |
0 |
0.673 |
2 |
3 |
|
F |
385 |
107 |
23897 |
◊ |
D |
x,y,z |
1_555 |
408 |
116 |
68890 |
3830.6 |
-11.7 |
0.447 |
53 |
32 |
0 |
0.511 |
4 |
|
Q |
377 |
105 |
23845 |
◊ |
O |
x,y,z |
1_555 |
396 |
117 |
68893 |
3798.8 |
-15.0 |
0.343 |
55 |
28 |
0 |
0.511 |
Average: |
3814.7 |
-13.4 |
0.395 |
54 |
30 |
0 |
0.511 |
3 |
5 |
|
U |
239 |
53 |
15771 |
◊ |
T |
x,y,z |
1_555 |
254 |
53 |
15621 |
2446.3 |
-31.7 |
0.813 |
160 |
0 |
0 |
1.000 |
6 |
|
J |
242 |
53 |
15773 |
◊ |
I |
x,y,z |
1_555 |
258 |
53 |
15620 |
2431.6 |
-30.6 |
0.834 |
162 |
0 |
0 |
1.000 |
Average: |
2439.0 |
-31.2 |
0.823 |
161 |
0 |
0 |
1.000 |
4 |
7 |
|
F |
234 |
65 |
23897 |
◊ |
C |
x,y,z |
1_555 |
262 |
69 |
53546 |
2360.7 |
-15.3 |
0.224 |
21 |
8 |
0 |
0.489 |
8 |
|
Q |
233 |
65 |
23845 |
◊ |
N |
x,y,z |
1_555 |
260 |
67 |
53499 |
2342.0 |
-15.5 |
0.221 |
20 |
9 |
0 |
0.489 |
Average: |
2351.4 |
-15.4 |
0.223 |
21 |
9 |
0 |
0.489 |
5 |
9 |
|
E |
222 |
60 |
6768 |
◊ |
D |
x,y,z |
1_555 |
240 |
62 |
68890 |
2290.8 |
-20.6 |
0.137 |
35 |
7 |
0 |
0.851 |
10 |
|
P |
223 |
59 |
6754 |
◊ |
O |
x,y,z |
1_555 |
233 |
61 |
68893 |
2279.1 |
-19.9 |
0.149 |
33 |
6 |
0 |
0.851 |
Average: |
2284.9 |
-20.2 |
0.143 |
34 |
7 |
0 |
0.851 |
6 |
11 |
|
C |
226 |
58 |
53546 |
◊ |
A |
x,y,z |
1_555 |
194 |
56 |
17383 |
1936.5 |
-5.8 |
0.501 |
30 |
15 |
0 |
1.000 |
12 |
|
N |
221 |
59 |
53499 |
◊ |
L |
x,y,z |
1_555 |
189 |
53 |
17393 |
1928.1 |
-6.0 |
0.475 |
32 |
15 |
0 |
1.000 |
Average: |
1932.3 |
-5.9 |
0.488 |
31 |
15 |
0 |
1.000 |
7 |
13 |
|
S |
180 |
48 |
10490 |
◊ |
R |
x,y,z |
1_555 |
181 |
46 |
10519 |
1723.3 |
-19.1 |
0.032 |
11 |
6 |
0 |
1.000 |
14 |
|
H |
179 |
46 |
10516 |
◊ |
G |
x,y,z |
1_555 |
173 |
46 |
10521 |
1710.4 |
-17.0 |
0.054 |
13 |
10 |
0 |
1.000 |
Average: |
1716.8 |
-18.0 |
0.043 |
12 |
8 |
0 |
1.000 |
8 |
15 |
|
I |
187 |
21 |
15620 |
◊ |
F |
x,y,z |
1_555 |
178 |
44 |
23897 |
1646.1 |
-12.5 |
0.452 |
22 |
0 |
0 |
0.436 |
16 |
|
T |
188 |
21 |
15621 |
◊ |
Q |
x,y,z |
1_555 |
184 |
45 |
23845 |
1626.8 |
-13.7 |
0.410 |
22 |
0 |
0 |
0.436 |
Average: |
1636.4 |
-13.1 |
0.431 |
22 |
0 |
0 |
0.436 |
9 |
17 |
|
M |
151 |
42 |
17115 |
◊ |
L |
x,y,z |
1_555 |
145 |
43 |
17393 |
1479.5 |
-27.3 |
0.004 |
5 |
0 |
0 |
1.000 |
18 |
|
B |
151 |
42 |
17193 |
◊ |
A |
x,y,z |
1_555 |
146 |
43 |
17383 |
1463.5 |
-27.4 |
0.004 |
5 |
0 |
0 |
1.000 |
Average: |
1471.5 |
-27.4 |
0.004 |
5 |
0 |
0 |
1.000 |
10 |
19 |
|
D |
120 |
32 |
68890 |
◊ |
B |
x,y,z |
1_555 |
122 |
33 |
17193 |
1159.2 |
-1.1 |
0.648 |
12 |
12 |
0 |
0.023 |
20 |
|
O |
122 |
33 |
68893 |
◊ |
M |
x,y,z |
1_555 |
120 |
31 |
17115 |
1141.4 |
0.1 |
0.680 |
11 |
17 |
0 |
0.023 |
Average: |
1150.3 |
-0.5 |
0.664 |
12 |
15 |
0 |
0.023 |
11 |
21 |
|
J |
124 |
18 |
15773 |
◊ |
F |
x,y,z |
1_555 |
132 |
43 |
23897 |
1105.1 |
-6.4 |
0.676 |
15 |
0 |
0 |
0.192 |
22 |
|
U |
120 |
18 |
15771 |
◊ |
Q |
x,y,z |
1_555 |
129 |
43 |
23845 |
1082.6 |
-7.1 |
0.644 |
16 |
0 |
0 |
0.192 |
Average: |
1093.8 |
-6.8 |
0.660 |
16 |
0 |
0 |
0.192 |
12 |
23 |
|
J |
105 |
14 |
15773 |
◊ |
C |
x,y,z |
1_555 |
108 |
37 |
53546 |
884.5 |
-8.5 |
0.642 |
10 |
0 |
0 |
0.177 |
24 |
|
U |
103 |
14 |
15771 |
◊ |
N |
x,y,z |
1_555 |
106 |
37 |
53499 |
884.3 |
-7.5 |
0.691 |
10 |
0 |
0 |
0.177 |
Average: |
884.4 |
-8.0 |
0.666 |
10 |
0 |
0 |
0.177 |
13 |
25 |
|
J |
102 |
15 |
15773 |
◊ |
D |
x,y,z |
1_555 |
101 |
32 |
68890 |
851.0 |
-3.7 |
0.790 |
11 |
0 |
0 |
0.049 |
26 |
|
U |
100 |
15 |
15771 |
◊ |
O |
x,y,z |
1_555 |
99 |
31 |
68893 |
829.9 |
-4.2 |
0.770 |
11 |
0 |
0 |
0.049 |
Average: |
840.4 |
-4.0 |
0.780 |
11 |
0 |
0 |
0.049 |
14 |
27 |
|
T |
93 |
11 |
15621 |
◊ |
N |
x,y,z |
1_555 |
91 |
30 |
53499 |
841.5 |
0.3 |
0.879 |
11 |
0 |
0 |
0.091 |
28 |
|
I |
94 |
10 |
15620 |
◊ |
C |
x,y,z |
1_555 |
90 |
28 |
53546 |
836.9 |
0.5 |
0.885 |
12 |
0 |
0 |
0.091 |
Average: |
839.2 |
0.4 |
0.882 |
12 |
0 |
0 |
0.091 |
15 |
29 |
|
G |
82 |
25 |
10521 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
71 |
19 |
17193 |
735.8 |
1.1 |
0.623 |
12 |
13 |
0 |
0.000 |
30 |
|
R |
81 |
23 |
10519 |
◊ |
M |
-x-1,y-1/2,-z |
2_445 |
66 |
18 |
17115 |
695.6 |
3.0 |
0.767 |
12 |
14 |
0 |
0.000 |
Average: |
715.7 |
2.1 |
0.695 |
12 |
14 |
0 |
0.000 |
16 |
31 |
|
S |
84 |
25 |
10490 |
◊ |
L |
x,y,z |
1_555 |
70 |
18 |
17393 |
729.3 |
1.4 |
0.614 |
14 |
12 |
0 |
0.023 |
32 |
|
H |
83 |
24 |
10516 |
◊ |
A |
x,y,z |
1_555 |
68 |
18 |
17383 |
715.5 |
0.5 |
0.573 |
13 |
12 |
0 |
0.023 |
Average: |
722.4 |
1.0 |
0.594 |
14 |
12 |
0 |
0.023 |
17 |
33 |
|
R |
65 |
20 |
10519 |
◊ |
Q |
x,y,z |
1_555 |
58 |
13 |
23845 |
528.6 |
-1.0 |
0.493 |
6 |
6 |
0 |
0.018 |
34 |
|
G |
63 |
21 |
10521 |
◊ |
F |
x,y,z |
1_555 |
56 |
13 |
23897 |
525.8 |
-1.2 |
0.472 |
6 |
6 |
0 |
0.018 |
Average: |
527.2 |
-1.1 |
0.482 |
6 |
6 |
0 |
0.018 |
18 |
35 |
|
U |
44 |
8 |
15771 |
◊ |
R |
x,y,z |
1_555 |
55 |
18 |
10519 |
452.7 |
-5.5 |
0.430 |
10 |
0 |
0 |
0.234 |
36 |
|
J |
43 |
8 |
15773 |
◊ |
G |
x,y,z |
1_555 |
52 |
17 |
10521 |
439.5 |
-5.3 |
0.447 |
10 |
0 |
0 |
0.234 |
Average: |
446.1 |
-5.4 |
0.438 |
10 |
0 |
0 |
0.234 |
19 |
37 |
|
T |
48 |
11 |
15621 |
◊ |
R |
x,y,z |
1_555 |
43 |
15 |
10519 |
428.8 |
-5.2 |
0.483 |
5 |
0 |
0 |
0.045 |
38 |
|
I |
45 |
11 |
15620 |
◊ |
G |
x,y,z |
1_555 |
44 |
15 |
10521 |
405.8 |
-5.7 |
0.459 |
6 |
0 |
0 |
0.045 |
Average: |
417.3 |
-5.4 |
0.471 |
6 |
0 |
0 |
0.045 |
20 |
39 |
|
I |
41 |
7 |
15620 |
◊ |
H |
x,y,z |
1_555 |
42 |
13 |
10516 |
416.4 |
-6.7 |
0.368 |
7 |
0 |
0 |
0.052 |
40 |
|
T |
45 |
7 |
15621 |
◊ |
S |
x,y,z |
1_555 |
43 |
13 |
10490 |
414.8 |
-6.1 |
0.414 |
7 |
0 |
0 |
0.052 |
Average: |
415.6 |
-6.4 |
0.391 |
7 |
0 |
0 |
0.052 |
21 |
41 |
|
G |
41 |
15 |
10521 |
◊ |
C |
x,y,z |
1_555 |
40 |
12 |
53546 |
374.5 |
3.3 |
0.811 |
7 |
8 |
0 |
0.003 |
42 |
|
R |
39 |
14 |
10519 |
◊ |
N |
x,y,z |
1_555 |
43 |
14 |
53499 |
363.2 |
3.5 |
0.834 |
6 |
6 |
0 |
0.003 |
Average: |
368.9 |
3.4 |
0.823 |
7 |
7 |
0 |
0.003 |
22 |
43 |
|
J |
40 |
10 |
15773 |
◊ |
H |
x,y,z |
1_555 |
41 |
14 |
10516 |
370.9 |
-4.6 |
0.487 |
7 |
0 |
0 |
0.184 |
44 |
|
U |
41 |
10 |
15771 |
◊ |
S |
x,y,z |
1_555 |
39 |
13 |
10490 |
368.1 |
-3.7 |
0.548 |
9 |
0 |
0 |
0.184 |
Average: |
369.5 |
-4.1 |
0.517 |
8 |
0 |
0 |
0.184 |
23 |
45 |
|
R |
37 |
11 |
10519 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
44 |
14 |
53499 |
365.8 |
2.2 |
0.738 |
3 |
3 |
0 |
0.000 |
46 |
|
G |
37 |
11 |
10521 |
◊ |
C |
-x-2,y-1/2,-z-1 |
2_344 |
41 |
12 |
53546 |
360.4 |
2.4 |
0.744 |
3 |
3 |
0 |
0.000 |
Average: |
363.1 |
2.3 |
0.741 |
3 |
3 |
0 |
0.000 |
24 |
47 |
|
O |
34 |
9 |
68893 |
◊ |
D |
x,y,z |
1_555 |
41 |
9 |
68890 |
355.1 |
-5.6 |
0.089 |
1 |
0 |
0 |
0.000 |
25 |
48 |
|
I |
47 |
11 |
15620 |
◊ |
D |
x,y,z |
1_555 |
47 |
19 |
68890 |
336.6 |
-8.5 |
0.378 |
4 |
0 |
0 |
0.055 |
49 |
|
T |
41 |
11 |
15621 |
◊ |
O |
x,y,z |
1_555 |
43 |
18 |
68893 |
320.0 |
-7.9 |
0.360 |
4 |
0 |
0 |
0.055 |
Average: |
328.3 |
-8.2 |
0.369 |
4 |
0 |
0 |
0.055 |
26 |
50 |
|
K |
34 |
4 |
1084 |
◊ |
C |
x,y,z |
1_555 |
42 |
19 |
53546 |
326.4 |
-4.6 |
0.563 |
9 |
0 |
0 |
1.000 |
51 |
|
V |
32 |
4 |
1097 |
◊ |
N |
x,y,z |
1_555 |
41 |
17 |
53499 |
320.2 |
-5.0 |
0.516 |
10 |
0 |
0 |
1.000 |
Average: |
323.3 |
-4.8 |
0.539 |
10 |
0 |
0 |
1.000 |
27 |
52 |
|
N |
26 |
9 |
53499 |
◊ |
M |
x,y,z |
1_555 |
24 |
9 |
17115 |
241.1 |
0.9 |
0.702 |
3 |
5 |
0 |
0.022 |
53 |
|
C |
25 |
9 |
53546 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
17193 |
235.8 |
0.8 |
0.690 |
3 |
2 |
0 |
0.022 |
Average: |
238.5 |
0.8 |
0.696 |
3 |
4 |
0 |
0.022 |
28 |
54 |
|
V |
24 |
4 |
1097 |
◊ |
U |
x,y,z |
1_555 |
27 |
6 |
15771 |
228.5 |
0.3 |
0.800 |
8 |
0 |
0 |
0.016 |
55 |
|
K |
23 |
4 |
1084 |
◊ |
J |
x,y,z |
1_555 |
26 |
6 |
15773 |
220.9 |
-0.5 |
0.767 |
10 |
0 |
0 |
0.016 |
Average: |
224.7 |
-0.1 |
0.783 |
9 |
0 |
0 |
0.016 |
29 |
56 |
|
H |
25 |
10 |
10516 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
24 |
8 |
17193 |
216.1 |
-0.9 |
0.493 |
0 |
0 |
0 |
0.000 |
57 |
|
S |
23 |
10 |
10490 |
◊ |
M |
-x-1,y-1/2,-z |
2_445 |
22 |
7 |
17115 |
202.3 |
-1.2 |
0.445 |
0 |
0 |
0 |
0.000 |
Average: |
209.2 |
-1.1 |
0.469 |
0 |
0 |
0 |
0.000 |
30 |
58 |
|
N |
28 |
11 |
53499 |
◊ |
O |
x,y-1,z |
1_545 |
28 |
12 |
68893 |
205.9 |
-2.5 |
0.315 |
0 |
0 |
0 |
0.000 |
59 |
|
C |
26 |
11 |
53546 |
◊ |
D |
x,y-1,z |
1_545 |
23 |
11 |
68890 |
194.7 |
-2.8 |
0.255 |
0 |
0 |
0 |
0.000 |
Average: |
200.3 |
-2.7 |
0.285 |
0 |
0 |
0 |
0.000 |
31 |
60 |
|
R |
21 |
9 |
10519 |
◊ |
O |
-x,y-1/2,-z |
2_545 |
21 |
10 |
68893 |
163.3 |
1.4 |
0.707 |
2 |
0 |
0 |
0.000 |
61 |
|
G |
18 |
7 |
10521 |
◊ |
D |
-x-2,y-1/2,-z-1 |
2_344 |
21 |
9 |
68890 |
158.6 |
0.9 |
0.667 |
2 |
0 |
0 |
0.000 |
Average: |
160.9 |
1.1 |
0.687 |
2 |
0 |
0 |
0.000 |
32 |
62 |
|
V |
15 |
2 |
1097 |
◊ |
O |
x,y,z |
1_555 |
26 |
9 |
68893 |
148.8 |
-1.1 |
0.637 |
1 |
0 |
0 |
0.004 |
63 |
|
K |
14 |
2 |
1084 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
68890 |
143.1 |
-1.0 |
0.630 |
1 |
0 |
0 |
0.004 |
Average: |
145.9 |
-1.0 |
0.633 |
1 |
0 |
0 |
0.004 |
33 |
64 |
|
A |
15 |
5 |
17383 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
17 |
7 |
17193 |
144.4 |
2.6 |
0.865 |
2 |
1 |
0 |
0.000 |
65 |
|
L |
17 |
6 |
17393 |
◊ |
M |
-x-1,y-1/2,-z |
2_445 |
15 |
7 |
17115 |
128.6 |
2.8 |
0.873 |
2 |
1 |
0 |
0.000 |
Average: |
136.5 |
2.7 |
0.869 |
2 |
1 |
0 |
0.000 |
34 |
66 |
|
Q |
18 |
4 |
23845 |
◊ |
S |
-x,y-1/2,-z |
2_545 |
13 |
2 |
10490 |
122.5 |
0.3 |
0.622 |
0 |
0 |
0 |
0.000 |
67 |
|
F |
18 |
4 |
23897 |
◊ |
H |
-x-2,y-1/2,-z-1 |
2_344 |
14 |
2 |
10516 |
119.9 |
0.3 |
0.624 |
0 |
0 |
0 |
0.000 |
Average: |
121.2 |
0.3 |
0.623 |
0 |
0 |
0 |
0.000 |
35 |
68 |
|
J |
10 |
3 |
15773 |
◊ |
E |
-x-2,y-1/2,-z-1 |
2_344 |
13 |
4 |
6768 |
106.1 |
-2.5 |
0.428 |
1 |
0 |
0 |
0.000 |
69 |
|
U |
10 |
3 |
15771 |
◊ |
P |
-x,y-1/2,-z |
2_545 |
12 |
3 |
6754 |
100.5 |
-2.4 |
0.438 |
1 |
0 |
0 |
0.000 |
Average: |
103.3 |
-2.4 |
0.433 |
1 |
0 |
0 |
0.000 |
36 |
70 |
|
D |
10 |
5 |
68890 |
◊ |
H |
-x-2,y-1/2,-z-1 |
2_344 |
13 |
5 |
10516 |
98.1 |
0.8 |
0.722 |
1 |
2 |
0 |
0.000 |
71 |
|
O |
11 |
5 |
68893 |
◊ |
S |
-x,y-1/2,-z |
2_545 |
13 |
5 |
10490 |
92.3 |
0.5 |
0.669 |
1 |
1 |
0 |
0.000 |
Average: |
95.2 |
0.7 |
0.696 |
1 |
2 |
0 |
0.000 |
37 |
72 |
|
E |
13 |
5 |
6768 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
53546 |
88.0 |
-0.6 |
0.534 |
1 |
0 |
0 |
0.004 |
73 |
|
P |
12 |
5 |
6754 |
◊ |
N |
x,y,z |
1_555 |
13 |
5 |
53499 |
87.1 |
-0.6 |
0.526 |
1 |
0 |
0 |
0.004 |
Average: |
87.6 |
-0.6 |
0.530 |
1 |
0 |
0 |
0.004 |
38 |
74 |
|
F |
6 |
2 |
23897 |
x |
F |
-x-2,y-1/2,-z-1 |
2_344 |
11 |
5 |
23897 |
73.2 |
-1.0 |
0.289 |
1 |
0 |
0 |
0.000 |
75 |
|
Q |
6 |
2 |
23845 |
x |
Q |
-x,y-1/2,-z |
2_545 |
12 |
5 |
23845 |
68.9 |
-0.9 |
0.313 |
1 |
0 |
0 |
0.000 |
Average: |
71.1 |
-1.0 |
0.301 |
1 |
0 |
0 |
0.000 |
39 |
76 |
|
T |
10 |
2 |
15621 |
◊ |
Q |
-x,y-1/2,-z |
2_545 |
5 |
1 |
23845 |
67.5 |
-0.5 |
0.628 |
0 |
0 |
0 |
0.000 |
77 |
|
I |
11 |
2 |
15620 |
◊ |
F |
-x-2,y-1/2,-z-1 |
2_344 |
5 |
1 |
23897 |
66.5 |
-0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
Average: |
67.0 |
-0.5 |
0.636 |
0 |
0 |
0 |
0.000 |
40 |
78 |
|
R |
7 |
3 |
10519 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
17393 |
60.3 |
1.1 |
0.767 |
0 |
0 |
0 |
0.000 |
79 |
|
G |
7 |
3 |
10521 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
17383 |
45.0 |
0.9 |
0.746 |
0 |
0 |
0 |
0.000 |
Average: |
52.6 |
1.0 |
0.757 |
0 |
0 |
0 |
0.000 |
41 |
80 |
|
K |
9 |
2 |
1084 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
23897 |
55.1 |
0.8 |
0.756 |
0 |
0 |
0 |
0.000 |
81 |
|
V |
8 |
2 |
1097 |
◊ |
Q |
x,y,z |
1_555 |
6 |
2 |
23845 |
51.2 |
0.9 |
0.773 |
0 |
0 |
0 |
0.000 |
Average: |
53.2 |
0.8 |
0.764 |
0 |
0 |
0 |
0.000 |
42 |
82 |
|
U |
7 |
2 |
15771 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
5 |
2 |
53499 |
45.5 |
0.2 |
0.647 |
1 |
0 |
0 |
0.000 |
83 |
|
J |
5 |
2 |
15773 |
◊ |
C |
-x-2,y-1/2,-z-1 |
2_344 |
5 |
2 |
53546 |
42.1 |
0.2 |
0.600 |
1 |
0 |
0 |
0.000 |
Average: |
43.8 |
0.2 |
0.623 |
1 |
0 |
0 |
0.000 |
43 |
84 |
|
D |
9 |
2 |
68890 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17383 |
44.1 |
1.0 |
0.723 |
2 |
0 |
0 |
0.000 |
85 |
|
O |
8 |
2 |
68893 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
17393 |
39.1 |
0.8 |
0.700 |
1 |
0 |
0 |
0.000 |
Average: |
41.6 |
0.9 |
0.712 |
2 |
0 |
0 |
0.000 |
44 |
86 |
|
[MG]O:2003 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
10 |
4 |
68893 |
42.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.154 |
87 |
|
[MG]D:2003 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
68890 |
41.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
41.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.154 |
45 |
88 |
|
T |
6 |
2 |
15621 |
◊ |
O |
-x,y-1/2,-z |
2_545 |
5 |
2 |
68893 |
37.4 |
-0.0 |
0.611 |
1 |
0 |
0 |
0.000 |
89 |
|
I |
3 |
2 |
15620 |
◊ |
D |
-x-2,y-1/2,-z-1 |
2_344 |
4 |
2 |
68890 |
22.8 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
Average: |
30.1 |
0.0 |
0.598 |
1 |
0 |
0 |
0.000 |
46 |
90 |
|
F |
9 |
3 |
23897 |
◊ |
I |
-x-2,y-1/2,-z-1 |
2_344 |
7 |
3 |
15620 |
37.3 |
-2.2 |
0.345 |
0 |
0 |
0 |
0.000 |
91 |
|
Q |
4 |
2 |
23845 |
◊ |
T |
-x,y-1/2,-z |
2_545 |
4 |
2 |
15621 |
28.2 |
-1.7 |
0.284 |
0 |
0 |
0 |
0.000 |
Average: |
32.7 |
-2.0 |
0.315 |
0 |
0 |
0 |
0.000 |
47 |
92 |
|
T |
6 |
2 |
15621 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
2 |
1 |
53499 |
32.4 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
93 |
|
I |
6 |
2 |
15620 |
◊ |
C |
-x-2,y-1/2,-z-1 |
2_344 |
2 |
1 |
53546 |
27.3 |
-0.3 |
0.456 |
0 |
0 |
0 |
0.000 |
Average: |
29.9 |
-0.2 |
0.486 |
0 |
0 |
0 |
0.000 |
48 |
94 |
|
[MG]D:2003 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
1084 |
31.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.010 |
95 |
|
[MG]O:2003 |
1 |
1 |
98 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
1097 |
31.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
31.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.010 |
49 |
96 |
|
P |
3 |
1 |
6754 |
◊ |
M |
x,y,z |
1_555 |
4 |
2 |
17115 |
29.5 |
-0.1 |
0.464 |
0 |
0 |
0 |
0.001 |
97 |
|
E |
2 |
1 |
6768 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17193 |
19.7 |
-0.4 |
0.381 |
0 |
0 |
0 |
0.001 |
Average: |
24.6 |
-0.3 |
0.423 |
0 |
0 |
0 |
0.001 |
50 |
98 |
|
D |
2 |
1 |
68890 |
◊ |
N |
x,y,z |
1_555 |
3 |
1 |
53499 |
28.8 |
-0.4 |
0.195 |
0 |
0 |
0 |
0.000 |
51 |
99 |
|
C |
2 |
1 |
53546 |
◊ |
O |
x-1,y,z |
1_455 |
4 |
3 |
68893 |
22.0 |
0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
52 |
100 |
|
C |
3 |
1 |
53546 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
17193 |
13.3 |
0.6 |
0.844 |
0 |
0 |
0 |
0.000 |
101 |
|
M |
2 |
2 |
17115 |
◊ |
N |
x-1,y,z |
1_455 |
3 |
1 |
53499 |
12.8 |
0.6 |
0.833 |
0 |
0 |
0 |
0.000 |
Average: |
13.1 |
0.6 |
0.838 |
0 |
0 |
0 |
0.000 |
53 |
102 |
|
D |
3 |
3 |
68890 |
◊ |
I |
-x-2,y-1/2,-z-1 |
2_344 |
2 |
2 |
15620 |
9.5 |
-0.4 |
0.458 |
0 |
0 |
0 |
0.000 |
103 |
|
O |
2 |
2 |
68893 |
◊ |
T |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15621 |
5.9 |
-0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
Average: |
7.7 |
-0.3 |
0.408 |
0 |
0 |
0 |
0.000 |
54 |
104 |
|
O |
1 |
1 |
68893 |
◊ |
U |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15771 |
6.3 |
-0.4 |
0.223 |
0 |
0 |
0 |
0.000 |
105 |
|
D |
1 |
1 |
68890 |
◊ |
J |
-x-2,y-1/2,-z-1 |
2_344 |
1 |
1 |
15773 |
6.1 |
-0.4 |
0.222 |
0 |
0 |
0 |
0.000 |
Average: |
6.2 |
-0.4 |
0.223 |
0 |
0 |
0 |
0.000 |
55 |
106 |
|
M |
1 |
1 |
17115 |
◊ |
Q |
x-1,y,z |
1_455 |
1 |
1 |
23845 |
1.8 |
-0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
|