## |
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 |
301 |
82 |
20597 |
◊ |
C |
x,y,z |
1_555 |
284 |
82 |
21163 |
2729.8 |
-16.7 |
0.184 |
31 |
10 |
0 |
0.453 |
2 |
|
M |
298 |
84 |
20558 |
◊ |
L |
x,y,z |
1_555 |
280 |
84 |
20920 |
2705.8 |
-15.8 |
0.179 |
27 |
7 |
0 |
0.453 |
3 |
|
F |
224 |
60 |
20359 |
◊ |
B |
x,y,z |
1_555 |
224 |
63 |
20560 |
2141.1 |
-14.8 |
0.333 |
25 |
9 |
0 |
0.453 |
4 |
|
O |
226 |
58 |
20459 |
◊ |
K |
x,y,z |
1_555 |
224 |
64 |
20581 |
2132.3 |
-14.7 |
0.336 |
28 |
9 |
0 |
0.453 |
Average: |
2427.2 |
-15.5 |
0.258 |
28 |
9 |
0 |
0.453 |
2 |
5 |
|
D |
243 |
75 |
20597 |
◊ |
A |
x,y,z |
1_555 |
244 |
68 |
22869 |
2480.9 |
-17.7 |
0.203 |
25 |
11 |
0 |
0.452 |
6 |
|
M |
241 |
75 |
20558 |
◊ |
J |
x,y,z |
1_555 |
239 |
66 |
21061 |
2437.6 |
-17.3 |
0.192 |
27 |
11 |
0 |
0.452 |
7 |
|
F |
233 |
65 |
20359 |
◊ |
C |
x,y,z |
1_555 |
225 |
63 |
21163 |
2169.6 |
-17.8 |
0.143 |
19 |
6 |
0 |
0.452 |
8 |
|
O |
229 |
65 |
20459 |
◊ |
L |
x,y,z |
1_555 |
221 |
63 |
20920 |
2159.3 |
-17.4 |
0.139 |
18 |
6 |
0 |
0.452 |
Average: |
2311.9 |
-17.5 |
0.169 |
22 |
9 |
0 |
0.452 |
3 |
9 |
|
E |
199 |
57 |
20486 |
◊ |
B |
x,y,z |
1_555 |
185 |
55 |
20560 |
1842.5 |
-10.5 |
0.351 |
17 |
5 |
0 |
0.529 |
10 |
|
N |
195 |
57 |
20319 |
◊ |
K |
x,y,z |
1_555 |
186 |
55 |
20581 |
1842.2 |
-10.6 |
0.314 |
19 |
5 |
0 |
0.529 |
Average: |
1842.3 |
-10.6 |
0.333 |
18 |
5 |
0 |
0.529 |
4 |
11 |
|
N |
186 |
52 |
20319 |
◊ |
J |
x,y,z |
1_555 |
203 |
55 |
21061 |
1752.3 |
-15.2 |
0.232 |
14 |
2 |
0 |
0.552 |
12 |
|
E |
188 |
51 |
20486 |
◊ |
A |
x,y,z |
1_555 |
204 |
55 |
22869 |
1748.1 |
-15.4 |
0.252 |
14 |
2 |
0 |
0.552 |
Average: |
1750.2 |
-15.3 |
0.242 |
14 |
2 |
0 |
0.552 |
5 |
13 |
|
V |
175 |
41 |
7682 |
◊ |
T |
x,y,z |
1_555 |
138 |
35 |
9136 |
1576.0 |
-24.5 |
0.300 |
11 |
4 |
0 |
1.000 |
6 |
14 |
|
R |
122 |
28 |
4865 |
◊ |
Q |
x,y,z |
1_555 |
127 |
35 |
8442 |
1218.4 |
-16.3 |
0.404 |
15 |
7 |
0 |
1.000 |
15 |
|
I |
122 |
28 |
4851 |
◊ |
H |
x,y,z |
1_555 |
132 |
34 |
8444 |
1186.5 |
-16.0 |
0.433 |
15 |
8 |
0 |
1.000 |
Average: |
1202.5 |
-16.1 |
0.418 |
15 |
8 |
0 |
1.000 |
7 |
16 |
|
H |
107 |
30 |
8444 |
◊ |
G |
x,y,z |
1_555 |
113 |
29 |
15972 |
998.3 |
-15.7 |
0.139 |
11 |
1 |
0 |
1.000 |
17 |
|
Q |
105 |
30 |
8442 |
◊ |
P |
x,y,z |
1_555 |
109 |
29 |
15955 |
965.6 |
-15.0 |
0.148 |
12 |
2 |
0 |
1.000 |
Average: |
981.9 |
-15.3 |
0.143 |
12 |
2 |
0 |
1.000 |
8 |
18 |
|
R |
85 |
22 |
4865 |
◊ |
P |
x,y,z |
1_555 |
115 |
34 |
15955 |
946.1 |
-10.0 |
0.457 |
13 |
4 |
0 |
1.000 |
19 |
|
I |
85 |
22 |
4851 |
◊ |
G |
x,y,z |
1_555 |
113 |
34 |
15972 |
930.0 |
-9.3 |
0.489 |
12 |
4 |
0 |
1.000 |
Average: |
938.1 |
-9.7 |
0.473 |
13 |
4 |
0 |
1.000 |
9 |
20 |
|
S |
93 |
22 |
12638 |
◊ |
A |
x,y,z |
1_555 |
76 |
19 |
22869 |
870.1 |
-6.9 |
0.404 |
7 |
7 |
0 |
0.000 |
21 |
|
W |
7 |
1 |
10429 |
◊ |
J |
x,y,z |
1_555 |
12 |
3 |
21061 |
108.0 |
-1.8 |
0.246 |
0 |
0 |
0 |
0.000 |
Average: |
489.0 |
-4.4 |
0.325 |
4 |
4 |
0 |
0.000 |
10 |
22 |
|
U |
83 |
16 |
3732 |
◊ |
T |
x,y,z |
1_555 |
74 |
20 |
9136 |
743.0 |
-13.2 |
0.319 |
5 |
0 |
0 |
1.000 |
11 |
23 |
|
T |
54 |
16 |
9136 |
◊ |
S |
x,y,z |
1_555 |
67 |
20 |
12638 |
613.5 |
-7.1 |
0.452 |
4 |
1 |
0 |
0.000 |
12 |
24 |
|
G |
52 |
21 |
15972 |
◊ |
A |
x,y,z |
1_555 |
69 |
17 |
22869 |
586.6 |
-8.7 |
0.109 |
4 |
2 |
0 |
0.122 |
25 |
|
P |
49 |
21 |
15955 |
◊ |
J |
x,y,z |
1_555 |
63 |
16 |
21061 |
547.7 |
-8.1 |
0.109 |
2 |
2 |
0 |
0.122 |
Average: |
567.1 |
-8.4 |
0.109 |
3 |
2 |
0 |
0.122 |
13 |
26 |
|
P |
56 |
19 |
15955 |
◊ |
N |
x,y,z |
1_555 |
54 |
18 |
20319 |
554.6 |
-8.4 |
0.110 |
6 |
4 |
0 |
0.170 |
27 |
|
G |
58 |
19 |
15972 |
◊ |
E |
x,y,z |
1_555 |
53 |
18 |
20486 |
542.6 |
-8.4 |
0.119 |
6 |
3 |
0 |
0.170 |
Average: |
548.6 |
-8.4 |
0.114 |
6 |
4 |
0 |
0.170 |
14 |
28 |
|
G |
55 |
19 |
15972 |
◊ |
D |
x,y,z |
1_555 |
67 |
20 |
20597 |
552.5 |
-7.0 |
0.224 |
4 |
1 |
0 |
0.114 |
29 |
|
P |
57 |
19 |
15955 |
◊ |
M |
x,y,z |
1_555 |
68 |
19 |
20558 |
550.0 |
-7.1 |
0.230 |
6 |
2 |
0 |
0.114 |
Average: |
551.2 |
-7.0 |
0.227 |
5 |
2 |
0 |
0.114 |
15 |
30 |
|
K |
59 |
15 |
20581 |
◊ |
J |
x-1/2,-y+3/2,-z |
4_465 |
59 |
15 |
21061 |
534.4 |
-3.9 |
0.376 |
2 |
2 |
0 |
0.000 |
31 |
|
B |
62 |
15 |
20560 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
57 |
14 |
22869 |
526.0 |
-4.4 |
0.341 |
2 |
1 |
0 |
0.000 |
Average: |
530.2 |
-4.1 |
0.358 |
2 |
2 |
0 |
0.000 |
16 |
32 |
|
G |
47 |
18 |
15972 |
◊ |
F |
x,y,z |
1_555 |
44 |
13 |
20359 |
424.6 |
-5.9 |
0.231 |
2 |
2 |
0 |
0.019 |
33 |
|
P |
48 |
19 |
15955 |
◊ |
O |
x,y,z |
1_555 |
47 |
15 |
20459 |
415.4 |
-5.7 |
0.257 |
2 |
2 |
0 |
0.019 |
Average: |
420.0 |
-5.8 |
0.244 |
2 |
2 |
0 |
0.019 |
17 |
34 |
|
[ANP]O:600 |
31 |
1 |
625 |
f |
O |
x,y,z |
1_555 |
62 |
22 |
20459 |
397.9 |
-2.3 |
0.547 |
13 |
0 |
0 |
0.134 |
35 |
|
[ANP]F:600 |
31 |
1 |
627 |
f |
F |
x,y,z |
1_555 |
58 |
22 |
20359 |
393.0 |
-2.4 |
0.543 |
14 |
0 |
0 |
0.134 |
Average: |
395.5 |
-2.4 |
0.545 |
14 |
0 |
0 |
0.134 |
18 |
36 |
|
[ANP]C:600 |
30 |
1 |
638 |
f |
C |
x,y,z |
1_555 |
50 |
16 |
21163 |
376.7 |
-2.6 |
0.544 |
13 |
0 |
0 |
0.216 |
37 |
|
[ANP]L:600 |
31 |
1 |
634 |
f |
L |
x,y,z |
1_555 |
51 |
17 |
20920 |
375.7 |
-2.4 |
0.531 |
10 |
0 |
0 |
0.216 |
38 |
|
[ANP]B:600 |
31 |
1 |
634 |
f |
B |
x,y,z |
1_555 |
53 |
17 |
20560 |
372.5 |
-1.4 |
0.582 |
10 |
0 |
0 |
0.216 |
39 |
|
[ANP]J:600 |
28 |
1 |
635 |
f |
J |
x,y,z |
1_555 |
52 |
18 |
21061 |
371.4 |
-3.0 |
0.512 |
13 |
0 |
0 |
0.216 |
40 |
|
[ANP]A:600 |
29 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
47 |
15 |
22869 |
364.5 |
-2.2 |
0.539 |
12 |
0 |
0 |
0.216 |
41 |
|
[ANP]K:600 |
31 |
1 |
625 |
f |
K |
x,y,z |
1_555 |
52 |
17 |
20581 |
363.0 |
-1.4 |
0.615 |
9 |
0 |
0 |
0.216 |
Average: |
370.6 |
-2.2 |
0.554 |
11 |
0 |
0 |
0.216 |
19 |
42 |
|
O |
41 |
12 |
20459 |
◊ |
F |
-x-1/2,-y+1,z-1/2 |
2_464 |
45 |
15 |
20359 |
353.9 |
0.8 |
0.721 |
1 |
3 |
0 |
0.000 |
20 |
43 |
|
[ADP]M:600 |
27 |
1 |
563 |
f |
M |
x,y,z |
1_555 |
60 |
19 |
20558 |
352.6 |
-6.7 |
0.504 |
8 |
0 |
0 |
0.165 |
44 |
|
[ADP]D:600 |
27 |
1 |
564 |
f |
D |
x,y,z |
1_555 |
60 |
19 |
20597 |
349.0 |
-6.4 |
0.523 |
11 |
0 |
0 |
0.165 |
Average: |
350.8 |
-6.6 |
0.513 |
10 |
0 |
0 |
0.165 |
21 |
45 |
|
V |
43 |
10 |
7682 |
◊ |
U |
x,y,z |
1_555 |
38 |
7 |
3732 |
338.9 |
-5.9 |
0.467 |
0 |
0 |
0 |
0.114 |
22 |
46 |
|
V |
37 |
8 |
7682 |
◊ |
F |
x,y,z |
1_555 |
40 |
14 |
20359 |
322.7 |
2.4 |
0.906 |
1 |
0 |
0 |
0.000 |
23 |
47 |
|
K |
33 |
11 |
20581 |
◊ |
V |
-x-1/2,-y+1,z-1/2 |
2_464 |
37 |
10 |
7682 |
278.3 |
0.0 |
0.758 |
3 |
1 |
0 |
0.000 |
24 |
48 |
|
X |
24 |
6 |
4740 |
◊ |
W |
x,y,z |
1_555 |
25 |
8 |
10429 |
269.0 |
0.1 |
0.751 |
5 |
0 |
0 |
0.000 |
25 |
49 |
|
Z |
30 |
8 |
2719 |
◊ |
X |
x,y,z |
1_555 |
22 |
9 |
4740 |
266.9 |
-5.0 |
0.217 |
0 |
1 |
0 |
0.000 |
26 |
50 |
|
P |
30 |
11 |
15955 |
◊ |
L |
x,y,z |
1_555 |
32 |
12 |
20920 |
264.1 |
-0.5 |
0.545 |
2 |
0 |
0 |
0.004 |
51 |
|
G |
27 |
11 |
15972 |
◊ |
C |
x,y,z |
1_555 |
30 |
11 |
21163 |
244.7 |
-0.9 |
0.524 |
1 |
0 |
0 |
0.004 |
Average: |
254.4 |
-0.7 |
0.535 |
2 |
0 |
0 |
0.004 |
27 |
52 |
|
V |
27 |
7 |
7682 |
◊ |
S |
x,y,z |
1_555 |
21 |
7 |
12638 |
261.6 |
-2.5 |
0.539 |
1 |
0 |
0 |
0.000 |
28 |
53 |
|
W |
24 |
6 |
10429 |
◊ |
M |
x,y,z |
1_555 |
31 |
9 |
20558 |
261.4 |
2.9 |
0.895 |
3 |
5 |
0 |
0.000 |
54 |
|
S |
20 |
6 |
12638 |
◊ |
D |
x,y,z |
1_555 |
27 |
8 |
20597 |
221.4 |
2.3 |
0.902 |
1 |
0 |
0 |
0.000 |
Average: |
241.4 |
2.6 |
0.898 |
2 |
3 |
0 |
0.000 |
29 |
55 |
|
N |
38 |
10 |
20319 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
22869 |
259.9 |
-1.9 |
0.497 |
1 |
0 |
0 |
0.000 |
30 |
56 |
|
L |
18 |
7 |
20920 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
26 |
9 |
21163 |
183.3 |
-1.6 |
0.432 |
0 |
0 |
0 |
0.000 |
31 |
57 |
|
W |
17 |
5 |
10429 |
◊ |
K |
x,y,z |
1_555 |
14 |
5 |
20581 |
171.6 |
1.1 |
0.794 |
2 |
1 |
0 |
0.000 |
58 |
|
S |
18 |
5 |
12638 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
20560 |
161.1 |
1.3 |
0.811 |
1 |
1 |
0 |
0.000 |
Average: |
166.3 |
1.2 |
0.802 |
2 |
1 |
0 |
0.000 |
32 |
59 |
|
G |
14 |
6 |
15972 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
20560 |
167.4 |
-3.6 |
0.117 |
0 |
1 |
0 |
0.055 |
60 |
|
P |
14 |
6 |
15955 |
◊ |
K |
x,y,z |
1_555 |
20 |
7 |
20581 |
157.4 |
-3.4 |
0.132 |
0 |
1 |
0 |
0.055 |
Average: |
162.4 |
-3.5 |
0.125 |
0 |
1 |
0 |
0.055 |
33 |
61 |
|
L |
21 |
10 |
20920 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
16 |
6 |
20597 |
155.7 |
1.0 |
0.759 |
1 |
0 |
0 |
0.000 |
34 |
62 |
|
N |
20 |
5 |
20319 |
◊ |
Q |
x-1/2,-y+3/2,-z |
4_465 |
14 |
4 |
8442 |
152.3 |
-2.6 |
0.280 |
0 |
0 |
0 |
0.000 |
63 |
|
E |
16 |
4 |
20486 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
12 |
4 |
8444 |
136.7 |
-2.5 |
0.244 |
0 |
0 |
0 |
0.000 |
Average: |
144.5 |
-2.6 |
0.262 |
0 |
0 |
0 |
0.000 |
35 |
64 |
|
[ANP]F:600 |
13 |
1 |
627 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
20560 |
124.5 |
-0.8 |
0.551 |
4 |
0 |
0 |
0.039 |
65 |
|
[ANP]O:600 |
10 |
1 |
625 |
◊ |
K |
x,y,z |
1_555 |
15 |
4 |
20581 |
116.4 |
-0.3 |
0.574 |
1 |
0 |
0 |
0.039 |
Average: |
120.4 |
-0.5 |
0.563 |
3 |
0 |
0 |
0.039 |
36 |
66 |
|
Z |
12 |
3 |
2719 |
◊ |
O |
x,y,z |
1_555 |
20 |
7 |
20459 |
124.2 |
-0.4 |
0.544 |
0 |
0 |
0 |
0.000 |
37 |
67 |
|
K |
19 |
7 |
20581 |
◊ |
T |
-x-1/2,-y+1,z-1/2 |
2_464 |
13 |
4 |
9136 |
122.5 |
0.2 |
0.594 |
1 |
0 |
0 |
0.000 |
38 |
68 |
|
[ADP]D:600 |
14 |
1 |
564 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
21163 |
120.1 |
-1.6 |
0.684 |
1 |
0 |
0 |
0.034 |
69 |
|
[ADP]M:600 |
15 |
1 |
563 |
◊ |
L |
x,y,z |
1_555 |
18 |
5 |
20920 |
114.6 |
-1.5 |
0.697 |
2 |
0 |
0 |
0.034 |
Average: |
117.4 |
-1.5 |
0.691 |
2 |
0 |
0 |
0.034 |
39 |
70 |
|
U |
14 |
6 |
3732 |
◊ |
F |
x,y,z |
1_555 |
21 |
6 |
20359 |
115.1 |
-0.4 |
0.692 |
2 |
0 |
0 |
0.000 |
40 |
71 |
|
[ANP]K:600 |
10 |
1 |
625 |
◊ |
N |
x,y,z |
1_555 |
13 |
4 |
20319 |
90.7 |
-1.6 |
0.497 |
1 |
0 |
0 |
0.057 |
72 |
|
[ANP]B:600 |
8 |
1 |
634 |
◊ |
E |
x,y,z |
1_555 |
15 |
3 |
20486 |
81.9 |
-1.7 |
0.456 |
1 |
0 |
0 |
0.057 |
Average: |
86.3 |
-1.6 |
0.477 |
1 |
0 |
0 |
0.057 |
41 |
73 |
|
[ANP]L:600 |
11 |
1 |
634 |
◊ |
O |
x,y,z |
1_555 |
16 |
7 |
20459 |
88.2 |
-0.5 |
0.598 |
0 |
0 |
0 |
0.008 |
74 |
|
[ANP]C:600 |
10 |
1 |
638 |
◊ |
F |
x,y,z |
1_555 |
17 |
7 |
20359 |
87.0 |
-0.5 |
0.597 |
0 |
0 |
0 |
0.008 |
75 |
|
[ANP]A:600 |
8 |
1 |
635 |
◊ |
D |
x,y,z |
1_555 |
15 |
8 |
20597 |
84.7 |
0.9 |
0.684 |
0 |
0 |
0 |
0.008 |
76 |
|
[ANP]J:600 |
8 |
1 |
635 |
◊ |
M |
x,y,z |
1_555 |
12 |
8 |
20558 |
78.8 |
1.5 |
0.746 |
0 |
0 |
0 |
0.008 |
Average: |
84.7 |
0.3 |
0.656 |
0 |
0 |
0 |
0.008 |
42 |
77 |
|
S |
7 |
2 |
12638 |
◊ |
E |
x,y,z |
1_555 |
12 |
3 |
20486 |
86.1 |
1.0 |
0.779 |
2 |
1 |
0 |
0.000 |
78 |
|
W |
7 |
2 |
10429 |
◊ |
N |
x,y,z |
1_555 |
12 |
3 |
20319 |
84.8 |
1.0 |
0.768 |
2 |
1 |
0 |
0.000 |
Average: |
85.5 |
1.0 |
0.774 |
2 |
1 |
0 |
0.000 |
43 |
79 |
|
F |
8 |
3 |
20359 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
20597 |
77.7 |
-2.1 |
0.137 |
0 |
0 |
0 |
0.010 |
80 |
|
O |
7 |
3 |
20459 |
◊ |
M |
x,y,z |
1_555 |
8 |
2 |
20558 |
68.8 |
-1.8 |
0.159 |
0 |
0 |
0 |
0.010 |
Average: |
73.3 |
-2.0 |
0.148 |
0 |
0 |
0 |
0.010 |
44 |
81 |
|
O |
5 |
3 |
20459 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
11 |
7 |
20560 |
73.4 |
0.8 |
0.794 |
1 |
0 |
0 |
0.000 |
45 |
82 |
|
W |
13 |
3 |
10429 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
20920 |
65.7 |
-1.0 |
0.426 |
0 |
0 |
0 |
0.000 |
83 |
|
S |
10 |
5 |
12638 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
21163 |
55.0 |
-0.8 |
0.462 |
0 |
0 |
0 |
0.000 |
Average: |
60.4 |
-0.9 |
0.444 |
0 |
0 |
0 |
0.000 |
46 |
84 |
|
T |
9 |
2 |
9136 |
◊ |
Q |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
8442 |
65.5 |
-0.6 |
0.429 |
0 |
0 |
0 |
0.000 |
47 |
85 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
22869 |
44.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.158 |
86 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
20560 |
43.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.158 |
87 |
|
[MG]L:601 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
11 |
5 |
20920 |
43.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.158 |
88 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
21163 |
42.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.158 |
89 |
|
[MG]K:601 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
10 |
4 |
20581 |
42.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.158 |
90 |
|
[MG]J:601 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
8 |
4 |
21061 |
39.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.158 |
Average: |
42.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.158 |
48 |
91 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
7 |
20359 |
40.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.099 |
92 |
|
[MG]O:601 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
8 |
6 |
20459 |
39.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.099 |
93 |
|
[MG]M:601 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
20558 |
36.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.099 |
94 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
20597 |
36.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
38.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.099 |
49 |
95 |
|
[MG]J:601 |
1 |
1 |
98 |
f |
[ANP]J:600 |
x,y,z |
1_555 |
6 |
1 |
635 |
38.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.142 |
96 |
|
[MG]L:601 |
1 |
1 |
98 |
f |
[ANP]L:600 |
x,y,z |
1_555 |
4 |
1 |
634 |
37.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.142 |
97 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[ANP]A:600 |
x,y,z |
1_555 |
5 |
1 |
635 |
35.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.142 |
98 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[ANP]C:600 |
x,y,z |
1_555 |
5 |
1 |
638 |
35.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.142 |
99 |
|
[MG]K:601 |
1 |
1 |
98 |
f |
[ANP]K:600 |
x,y,z |
1_555 |
6 |
1 |
625 |
35.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.142 |
100 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[ANP]B:600 |
x,y,z |
1_555 |
4 |
1 |
634 |
33.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.142 |
101 |
|
[MG]O:601 |
1 |
1 |
98 |
f |
[ANP]O:600 |
x,y,z |
1_555 |
5 |
1 |
625 |
30.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.142 |
102 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
[ANP]F:600 |
x,y,z |
1_555 |
5 |
1 |
627 |
29.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.142 |
Average: |
34.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.142 |
50 |
103 |
|
Z |
3 |
1 |
2719 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
1 |
1 |
20560 |
32.2 |
1.3 |
0.755 |
1 |
1 |
0 |
0.000 |
51 |
104 |
|
[ADP]M:600 |
4 |
1 |
563 |
f |
[MG]M:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.059 |
105 |
|
[ADP]D:600 |
4 |
1 |
564 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
26.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.059 |
52 |
106 |
|
K |
4 |
2 |
20581 |
◊ |
Q |
x-1/2,-y+3/2,-z |
4_465 |
5 |
2 |
8442 |
26.5 |
-0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
107 |
|
B |
4 |
2 |
20560 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
8444 |
21.6 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
Average: |
24.0 |
-0.1 |
0.497 |
0 |
0 |
0 |
0.000 |
53 |
108 |
|
U |
2 |
1 |
3732 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21163 |
25.5 |
0.9 |
0.762 |
0 |
0 |
0 |
0.000 |
54 |
109 |
|
E |
3 |
1 |
20486 |
◊ |
R |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
4865 |
17.9 |
0.8 |
0.901 |
0 |
0 |
0 |
0.000 |
55 |
110 |
|
K |
3 |
1 |
20581 |
◊ |
F |
-x-1/2,-y+1,z-1/2 |
2_464 |
1 |
1 |
20359 |
16.3 |
-0.5 |
0.213 |
0 |
0 |
0 |
0.000 |
56 |
111 |
|
J |
1 |
1 |
21061 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22869 |
14.4 |
-0.1 |
0.340 |
0 |
0 |
0 |
0.000 |
57 |
112 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21163 |
11.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
113 |
|
[MG]M:601 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
20920 |
10.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
114 |
|
[MG]F:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20560 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.009 |
115 |
|
[MG]O:601 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
20581 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
5.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
58 |
116 |
|
I |
1 |
1 |
4851 |
◊ |
P |
x,y-1,z |
1_545 |
1 |
1 |
15955 |
9.1 |
0.2 |
0.836 |
0 |
0 |
0 |
0.000 |
59 |
117 |
|
T |
1 |
1 |
9136 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21163 |
6.1 |
0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
60 |
118 |
|
H |
3 |
2 |
8444 |
◊ |
Z |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
2719 |
6.0 |
0.2 |
0.726 |
0 |
0 |
0 |
0.000 |
|