## |
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 |
|
L |
553 |
128 |
18966 |
◊ |
K |
x,y,z |
1_555 |
554 |
128 |
18589 |
5385.9 |
-104.2 |
0.000 |
37 |
18 |
0 |
0.771 |
2 |
|
H |
544 |
129 |
18672 |
◊ |
G |
x,y,z |
1_555 |
541 |
130 |
18913 |
5273.9 |
-105.2 |
0.000 |
36 |
18 |
0 |
0.771 |
3 |
|
J |
535 |
129 |
18694 |
◊ |
I |
x,y,z |
1_555 |
541 |
125 |
18420 |
5257.4 |
-104.4 |
0.000 |
36 |
16 |
0 |
0.771 |
4 |
|
D |
534 |
124 |
18604 |
◊ |
C |
x,y,z |
1_555 |
532 |
127 |
18601 |
5182.3 |
-103.3 |
0.000 |
37 |
17 |
0 |
0.771 |
5 |
|
B |
528 |
124 |
18598 |
◊ |
A |
x,y,z |
1_555 |
536 |
125 |
18747 |
5155.5 |
-101.7 |
0.000 |
36 |
16 |
0 |
0.771 |
6 |
|
F |
515 |
124 |
18603 |
◊ |
E |
x,y,z |
1_555 |
536 |
126 |
18407 |
5149.9 |
-102.1 |
0.000 |
37 |
16 |
0 |
0.771 |
Average: |
5234.1 |
-103.5 |
0.000 |
37 |
17 |
0 |
0.771 |
2 |
7 |
|
G |
60 |
15 |
18913 |
◊ |
F |
x,y,z |
1_555 |
69 |
18 |
18603 |
630.8 |
-3.7 |
0.465 |
5 |
2 |
0 |
0.000 |
8 |
|
I |
62 |
15 |
18420 |
◊ |
B |
x,y,z |
1_555 |
70 |
18 |
18598 |
627.8 |
-3.4 |
0.463 |
5 |
1 |
0 |
0.000 |
9 |
|
C |
61 |
15 |
18601 |
◊ |
A |
x,y,z |
1_555 |
69 |
18 |
18747 |
625.6 |
-3.7 |
0.460 |
5 |
3 |
0 |
0.000 |
10 |
|
H |
65 |
18 |
18672 |
◊ |
D |
x,y,z |
1_555 |
60 |
14 |
18604 |
625.5 |
-3.8 |
0.478 |
5 |
2 |
0 |
0.000 |
11 |
|
K |
61 |
15 |
18589 |
◊ |
I |
x,y,z |
1_555 |
70 |
18 |
18420 |
625.5 |
-3.7 |
0.508 |
3 |
2 |
0 |
0.000 |
12 |
|
K |
69 |
18 |
18589 |
◊ |
B |
x,y,z |
1_555 |
59 |
15 |
18598 |
624.6 |
-3.8 |
0.460 |
3 |
2 |
0 |
0.000 |
13 |
|
L |
60 |
15 |
18966 |
◊ |
D |
x,y,z |
1_555 |
66 |
18 |
18604 |
618.4 |
-3.3 |
0.425 |
4 |
1 |
0 |
0.000 |
14 |
|
E |
70 |
18 |
18407 |
◊ |
A |
x,y,z |
1_555 |
57 |
15 |
18747 |
617.6 |
-3.6 |
0.475 |
4 |
2 |
0 |
0.000 |
15 |
|
J |
66 |
18 |
18694 |
◊ |
F |
x,y,z |
1_555 |
57 |
15 |
18603 |
617.3 |
-4.1 |
0.450 |
6 |
2 |
0 |
0.000 |
16 |
|
J |
60 |
15 |
18694 |
◊ |
G |
x,y,z |
1_555 |
70 |
18 |
18913 |
614.1 |
-3.3 |
0.517 |
7 |
2 |
0 |
0.000 |
17 |
|
E |
63 |
15 |
18407 |
◊ |
C |
x,y,z |
1_555 |
71 |
18 |
18601 |
614.0 |
-4.8 |
0.466 |
4 |
2 |
0 |
0.000 |
18 |
|
L |
70 |
18 |
18966 |
◊ |
H |
x,y,z |
1_555 |
59 |
15 |
18672 |
611.4 |
-4.0 |
0.439 |
2 |
1 |
0 |
0.000 |
Average: |
621.1 |
-3.8 |
0.467 |
4 |
2 |
0 |
0.000 |
3 |
19 |
|
G |
67 |
19 |
18913 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
54 |
13 |
18603 |
538.6 |
-4.7 |
0.465 |
2 |
2 |
0 |
0.000 |
4 |
20 |
|
J |
57 |
16 |
18694 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
58 |
19 |
18601 |
470.8 |
1.1 |
0.869 |
5 |
1 |
0 |
0.000 |
5 |
21 |
|
K |
43 |
13 |
18589 |
◊ |
H |
-x-1/2,-y+1,z-1/2 |
2_464 |
42 |
12 |
18672 |
378.2 |
0.5 |
0.817 |
5 |
4 |
0 |
0.000 |
6 |
22 |
|
I |
34 |
10 |
18420 |
◊ |
D |
-x-1/2,-y+1,z-1/2 |
2_464 |
29 |
9 |
18604 |
233.0 |
1.9 |
0.850 |
2 |
2 |
0 |
0.000 |
7 |
23 |
|
L |
22 |
8 |
18966 |
◊ |
J |
x-1/2,-y+1/2,-z+1 |
4_456 |
35 |
12 |
18694 |
215.1 |
1.8 |
0.880 |
2 |
1 |
0 |
0.000 |
8 |
24 |
|
K |
23 |
10 |
18589 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
18 |
5 |
18747 |
198.6 |
0.8 |
0.726 |
2 |
0 |
0 |
0.000 |
9 |
25 |
|
L |
23 |
7 |
18966 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
17 |
4 |
18747 |
177.6 |
0.0 |
0.607 |
2 |
0 |
0 |
0.000 |
10 |
26 |
|
J |
18 |
6 |
18694 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
22 |
8 |
18603 |
148.9 |
-0.6 |
0.665 |
1 |
0 |
0 |
0.000 |
11 |
27 |
|
J |
10 |
3 |
18694 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
4 |
18598 |
106.1 |
-0.7 |
0.303 |
0 |
0 |
0 |
0.000 |
12 |
28 |
|
[BME]H:402 |
4 |
1 |
207 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
18672 |
92.3 |
-0.3 |
0.498 |
1 |
0 |
0 |
0.005 |
13 |
29 |
|
[BME]G:500 |
4 |
1 |
208 |
f |
G |
x,y,z |
1_555 |
16 |
4 |
18913 |
91.8 |
-0.9 |
0.420 |
1 |
0 |
0 |
0.011 |
30 |
|
[BME]A:401 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
18747 |
91.4 |
-0.9 |
0.427 |
1 |
0 |
0 |
0.011 |
Average: |
91.6 |
-0.9 |
0.424 |
1 |
0 |
0 |
0.011 |
14 |
31 |
|
[BME]C:500 |
4 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
18601 |
91.6 |
0.2 |
0.602 |
0 |
0 |
0 |
0.002 |
32 |
|
[BME]J:402 |
4 |
1 |
206 |
◊ |
J |
x,y,z |
1_555 |
15 |
4 |
18694 |
90.4 |
-0.3 |
0.494 |
0 |
0 |
0 |
0.002 |
33 |
|
[BME]B:401 |
4 |
1 |
205 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
18598 |
90.3 |
0.0 |
0.487 |
0 |
0 |
0 |
0.002 |
34 |
|
[BME]D:402 |
4 |
1 |
202 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
18604 |
90.0 |
0.4 |
0.600 |
0 |
0 |
0 |
0.002 |
Average: |
90.6 |
0.1 |
0.546 |
0 |
0 |
0 |
0.002 |
15 |
35 |
|
[BME]F:402 |
4 |
1 |
204 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
18603 |
91.6 |
0.4 |
0.607 |
0 |
0 |
0 |
0.000 |
16 |
36 |
|
[BME]E:500 |
4 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
16 |
4 |
18407 |
89.9 |
-1.0 |
0.427 |
1 |
0 |
0 |
0.011 |
17 |
37 |
|
[BME]K:500 |
4 |
1 |
207 |
◊ |
K |
x,y,z |
1_555 |
15 |
4 |
18589 |
89.8 |
-0.3 |
0.495 |
1 |
0 |
0 |
0.005 |
38 |
|
[BME]I:500 |
4 |
1 |
204 |
◊ |
I |
x,y,z |
1_555 |
15 |
4 |
18420 |
88.7 |
-0.2 |
0.485 |
1 |
0 |
0 |
0.005 |
Average: |
89.2 |
-0.3 |
0.490 |
1 |
0 |
0 |
0.005 |
18 |
39 |
|
[BME]L:402 |
4 |
1 |
203 |
◊ |
L |
x,y,z |
1_555 |
15 |
4 |
18966 |
88.6 |
-0.3 |
0.489 |
0 |
0 |
0 |
0.002 |
19 |
40 |
|
K |
9 |
5 |
18589 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
13 |
4 |
18601 |
81.0 |
1.1 |
0.832 |
2 |
2 |
0 |
0.000 |
20 |
41 |
|
[BME]H:402 |
4 |
1 |
207 |
f |
G |
x,y,z |
1_555 |
8 |
3 |
18913 |
79.1 |
-1.0 |
0.492 |
1 |
0 |
0 |
0.012 |
21 |
42 |
|
[BME]L:402 |
4 |
1 |
203 |
f |
K |
x,y,z |
1_555 |
8 |
3 |
18589 |
78.0 |
-0.3 |
0.498 |
2 |
0 |
0 |
0.012 |
22 |
43 |
|
[BME]G:500 |
4 |
1 |
208 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
18672 |
77.0 |
-0.6 |
0.494 |
1 |
0 |
0 |
0.006 |
44 |
|
[BME]A:401 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
18598 |
74.5 |
-0.5 |
0.492 |
1 |
0 |
0 |
0.006 |
Average: |
75.8 |
-0.5 |
0.493 |
1 |
0 |
0 |
0.006 |
23 |
45 |
|
[BME]J:402 |
4 |
1 |
206 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
18420 |
76.7 |
-0.7 |
0.494 |
2 |
0 |
0 |
0.016 |
46 |
|
[BME]C:500 |
4 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
18604 |
76.2 |
-1.1 |
0.492 |
2 |
0 |
0 |
0.016 |
47 |
|
[BME]B:401 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
18747 |
75.8 |
-0.9 |
0.493 |
2 |
0 |
0 |
0.016 |
Average: |
76.2 |
-0.9 |
0.493 |
2 |
0 |
0 |
0.016 |
24 |
48 |
|
[BME]F:402 |
4 |
1 |
204 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
18407 |
76.3 |
-0.7 |
0.497 |
2 |
0 |
0 |
0.013 |
25 |
49 |
|
[BME]D:402 |
4 |
1 |
202 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
18601 |
75.7 |
-0.9 |
0.495 |
2 |
0 |
0 |
0.015 |
26 |
50 |
|
[BME]K:500 |
4 |
1 |
207 |
f |
L |
x,y,z |
1_555 |
8 |
3 |
18966 |
75.3 |
-0.9 |
0.492 |
2 |
0 |
0 |
0.016 |
51 |
|
[BME]I:500 |
4 |
1 |
204 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
18694 |
74.6 |
-1.0 |
0.491 |
1 |
0 |
0 |
0.016 |
Average: |
75.0 |
-0.9 |
0.492 |
2 |
0 |
0 |
0.016 |
27 |
52 |
|
[BME]E:500 |
4 |
1 |
206 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
18603 |
72.9 |
-0.3 |
0.494 |
1 |
0 |
0 |
0.004 |
28 |
53 |
|
I |
6 |
2 |
18420 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
2 |
18601 |
66.4 |
-1.4 |
0.298 |
0 |
0 |
0 |
0.000 |
29 |
54 |
|
I |
7 |
3 |
18420 |
◊ |
L |
-x-1/2,-y+1,z-1/2 |
2_464 |
8 |
2 |
18966 |
54.9 |
0.5 |
0.760 |
0 |
1 |
0 |
0.000 |
30 |
55 |
|
H |
7 |
4 |
18672 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
3 |
18603 |
53.5 |
0.5 |
0.726 |
0 |
0 |
0 |
0.000 |
31 |
56 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
18747 |
45.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.065 |
57 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
18601 |
40.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.065 |
58 |
|
[MG]J:403 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
5 |
2 |
18694 |
40.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.065 |
59 |
|
[MG]G:501 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
2 |
18913 |
39.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.065 |
60 |
|
[MG]H:403 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
18672 |
39.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.065 |
61 |
|
[MG]F:403 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
18603 |
39.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.065 |
62 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
18604 |
38.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.065 |
63 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
18598 |
38.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.065 |
64 |
|
[MG]L:403 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
5 |
2 |
18966 |
37.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
39.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.065 |
32 |
65 |
|
[MG]E:502 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
18603 |
43.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.061 |
66 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
18604 |
43.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.061 |
67 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
18747 |
42.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.061 |
68 |
|
[MG]L:401 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
10 |
4 |
18589 |
42.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.061 |
69 |
|
[MG]K:502 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
18966 |
41.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.061 |
70 |
|
[MG]G:502 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
18672 |
41.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.061 |
71 |
|
[MG]I:502 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
11 |
5 |
18694 |
41.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.061 |
72 |
|
[MG]H:401 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
18913 |
41.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.061 |
73 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
18601 |
41.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.061 |
74 |
|
[MG]J:401 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
18420 |
40.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.061 |
75 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
18598 |
39.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.061 |
76 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
18407 |
39.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
41.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.061 |
33 |
77 |
|
B |
5 |
2 |
18598 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
2 |
18407 |
41.2 |
0.4 |
0.766 |
0 |
0 |
0 |
0.000 |
34 |
78 |
|
[MG]I:501 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
5 |
2 |
18420 |
41.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.043 |
79 |
|
[MG]E:501 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
18407 |
39.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.043 |
80 |
|
[MG]K:501 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
4 |
2 |
18589 |
36.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
38.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.043 |
35 |
81 |
|
J |
4 |
2 |
18694 |
◊ |
K |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
18589 |
40.9 |
1.0 |
0.807 |
1 |
0 |
0 |
0.000 |
36 |
82 |
|
[MG]F:401 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
18603 |
40.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.060 |
83 |
|
[MG]I:502 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
18420 |
39.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.060 |
84 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
18747 |
39.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.060 |
85 |
|
[MG]H:401 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
18672 |
39.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.060 |
86 |
|
[MG]K:502 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
6 |
2 |
18589 |
38.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.060 |
87 |
|
[MG]L:401 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
18966 |
38.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.060 |
88 |
|
[MG]D:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
18604 |
38.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.060 |
89 |
|
[MG]A:404 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
18598 |
37.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.060 |
90 |
|
[MG]G:502 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
18913 |
37.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.060 |
91 |
|
[MG]J:401 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
18694 |
36.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.060 |
92 |
|
[MG]E:502 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
18407 |
34.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.060 |
93 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
18601 |
34.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
37.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.060 |
37 |
94 |
|
[MG]C:501 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
18604 |
34.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.047 |
95 |
|
[MG]F:403 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
18407 |
33.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.047 |
96 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
18598 |
32.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.047 |
97 |
|
[MG]D:403 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
18601 |
27.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.047 |
98 |
|
[MG]L:403 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
5 |
3 |
18589 |
27.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.047 |
99 |
|
[MG]G:501 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
18672 |
24.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.047 |
100 |
|
[MG]B:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
18747 |
20.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.047 |
101 |
|
[MG]I:501 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
18694 |
20.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.047 |
102 |
|
[MG]J:403 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
18420 |
19.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.047 |
103 |
|
[MG]K:501 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
18966 |
19.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.047 |
104 |
|
[MG]H:403 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
18913 |
18.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.047 |
105 |
|
[MG]E:501 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
18603 |
17.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
24.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.047 |
38 |
106 |
|
E |
5 |
3 |
18407 |
◊ |
H |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
3 |
18672 |
34.4 |
-0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
39 |
107 |
|
I |
4 |
3 |
18420 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
4 |
18603 |
34.4 |
-0.5 |
0.445 |
0 |
0 |
0 |
0.000 |
40 |
108 |
|
B |
5 |
4 |
18598 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
4 |
18603 |
32.5 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
41 |
109 |
|
K |
2 |
1 |
18589 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18747 |
23.8 |
1.0 |
0.875 |
1 |
0 |
0 |
0.000 |
110 |
|
F |
3 |
1 |
18603 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18601 |
23.7 |
1.0 |
0.874 |
1 |
0 |
0 |
0.000 |
111 |
|
L |
3 |
1 |
18966 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
18420 |
23.5 |
1.1 |
0.868 |
1 |
0 |
0 |
0.000 |
112 |
|
J |
3 |
1 |
18694 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18598 |
23.3 |
1.0 |
0.867 |
1 |
0 |
0 |
0.000 |
113 |
|
H |
3 |
2 |
18672 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18601 |
23.0 |
0.9 |
0.848 |
1 |
0 |
0 |
0.000 |
114 |
|
D |
3 |
1 |
18604 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18747 |
23.0 |
1.1 |
0.874 |
1 |
0 |
0 |
0.000 |
115 |
|
K |
4 |
2 |
18589 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
18604 |
22.8 |
1.0 |
0.856 |
1 |
0 |
0 |
0.000 |
116 |
|
J |
1 |
1 |
18694 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
18407 |
22.6 |
1.0 |
0.875 |
1 |
0 |
0 |
0.000 |
117 |
|
E |
1 |
1 |
18407 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18598 |
22.6 |
1.1 |
0.887 |
1 |
0 |
0 |
0.000 |
118 |
|
I |
3 |
1 |
18420 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
18913 |
22.5 |
1.0 |
0.874 |
1 |
0 |
0 |
0.000 |
119 |
|
L |
1 |
1 |
18966 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
18913 |
22.4 |
1.0 |
0.878 |
1 |
0 |
0 |
0.000 |
120 |
|
H |
3 |
1 |
18672 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
18603 |
20.2 |
0.3 |
0.800 |
1 |
0 |
0 |
0.000 |
Average: |
22.8 |
1.0 |
0.865 |
1 |
0 |
0 |
0.000 |
42 |
121 |
|
G |
1 |
1 |
18913 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
18407 |
12.0 |
0.3 |
0.842 |
0 |
0 |
0 |
0.000 |
43 |
122 |
|
D |
2 |
2 |
18604 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
2 |
18747 |
11.0 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
44 |
123 |
|
[MG]J:401 |
1 |
1 |
98 |
f |
[MG]I:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
45 |
124 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
[MG]E:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
|