## |
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 |
|
E |
47 |
16 |
3889 |
x |
E |
x-1,y,z |
1_455 |
45 |
13 |
3889 |
442.5 |
-0.8 |
0.717 |
0 |
3 |
0 |
0.000 |
2 |
|
G |
47 |
14 |
3982 |
x |
G |
x-1,y,z |
1_455 |
51 |
18 |
3982 |
426.0 |
-0.1 |
0.782 |
4 |
3 |
0 |
0.000 |
3 |
|
C |
47 |
17 |
4214 |
x |
C |
x-1,y,z |
1_455 |
48 |
14 |
4214 |
422.5 |
-0.1 |
0.690 |
0 |
3 |
0 |
0.000 |
4 |
|
F |
46 |
16 |
4274 |
x |
F |
x-1,y,z |
1_455 |
48 |
14 |
4274 |
420.9 |
-0.7 |
0.701 |
0 |
3 |
0 |
0.000 |
5 |
|
H |
44 |
13 |
3838 |
x |
H |
x-1,y,z |
1_455 |
48 |
16 |
3838 |
420.7 |
-0.5 |
0.706 |
3 |
3 |
0 |
0.000 |
6 |
|
B |
42 |
13 |
3775 |
x |
B |
x-1,y,z |
1_455 |
46 |
16 |
3775 |
413.4 |
-0.2 |
0.729 |
3 |
4 |
0 |
0.000 |
7 |
|
A |
45 |
14 |
4197 |
x |
A |
x-1,y,z |
1_455 |
46 |
16 |
4197 |
411.3 |
-0.5 |
0.643 |
3 |
3 |
0 |
0.000 |
8 |
|
D |
49 |
18 |
4212 |
x |
D |
x-1,y,z |
1_455 |
45 |
14 |
4212 |
407.4 |
0.1 |
0.702 |
0 |
3 |
0 |
0.000 |
Average: |
420.6 |
-0.4 |
0.709 |
2 |
3 |
0 |
0.000 |
2 |
9 |
|
G |
41 |
15 |
3982 |
◊ |
F |
x-1,y,z |
1_455 |
35 |
9 |
4274 |
403.9 |
-0.3 |
0.691 |
1 |
5 |
0 |
0.000 |
3 |
10 |
|
A |
31 |
10 |
4197 |
◊ |
E |
x-1,y,z |
1_455 |
28 |
8 |
3889 |
292.0 |
-0.1 |
0.679 |
2 |
3 |
0 |
0.000 |
11 |
|
H |
28 |
8 |
3838 |
◊ |
D |
x-1,y,z |
1_455 |
34 |
10 |
4212 |
287.8 |
0.3 |
0.687 |
4 |
2 |
0 |
0.000 |
12 |
|
B |
27 |
9 |
3775 |
◊ |
C |
x-1,y,z |
1_455 |
29 |
8 |
4214 |
238.2 |
-1.1 |
0.552 |
4 |
2 |
0 |
0.000 |
Average: |
272.7 |
-0.3 |
0.639 |
3 |
2 |
0 |
0.000 |
4 |
13 |
|
E |
30 |
9 |
3889 |
◊ |
C |
x-1,y,z-1 |
1_454 |
24 |
9 |
4214 |
288.1 |
-6.7 |
0.048 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
23 |
9 |
4212 |
◊ |
F |
x,y-1,z |
1_545 |
32 |
10 |
4274 |
285.2 |
-6.7 |
0.045 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
23 |
8 |
4197 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
9 |
3775 |
276.4 |
-6.2 |
0.057 |
0 |
0 |
0 |
0.000 |
Average: |
283.3 |
-6.5 |
0.050 |
0 |
0 |
0 |
0.000 |
5 |
16 |
|
H |
22 |
6 |
3838 |
◊ |
G |
x,y-1,z+1 |
1_546 |
23 |
8 |
3982 |
228.2 |
-4.6 |
0.154 |
0 |
0 |
0 |
0.000 |
6 |
17 |
|
C |
26 |
11 |
4214 |
◊ |
F |
x-1,y-1,z+1 |
1_446 |
16 |
5 |
4274 |
205.5 |
-2.5 |
0.283 |
1 |
2 |
0 |
0.000 |
7 |
18 |
|
A |
22 |
9 |
4197 |
◊ |
D |
x-1,y+1,z |
1_465 |
17 |
3 |
4212 |
198.5 |
1.9 |
0.818 |
0 |
0 |
0 |
0.000 |
19 |
|
G |
19 |
9 |
3982 |
◊ |
C |
x-1,y,z-1 |
1_454 |
13 |
3 |
4214 |
144.2 |
1.1 |
0.782 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
12 |
3 |
4197 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
9 |
4212 |
139.1 |
0.7 |
0.695 |
2 |
0 |
0 |
0.000 |
Average: |
160.6 |
1.2 |
0.765 |
1 |
0 |
0 |
0.000 |
8 |
21 |
|
G |
22 |
8 |
3982 |
◊ |
F |
x,y,z |
1_555 |
21 |
6 |
4274 |
179.1 |
-0.5 |
0.559 |
2 |
0 |
0 |
0.000 |
22 |
|
C |
18 |
6 |
4214 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
3775 |
169.5 |
-0.7 |
0.527 |
2 |
0 |
0 |
0.000 |
23 |
|
H |
20 |
6 |
3838 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
4212 |
161.6 |
-0.6 |
0.518 |
2 |
0 |
0 |
0.000 |
24 |
|
E |
14 |
4 |
3889 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
4197 |
134.3 |
-0.5 |
0.542 |
0 |
0 |
0 |
0.000 |
Average: |
161.1 |
-0.6 |
0.537 |
2 |
0 |
0 |
0.000 |
9 |
25 |
|
F |
20 |
8 |
4274 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
3889 |
165.2 |
-0.6 |
0.575 |
0 |
0 |
0 |
0.000 |
26 |
|
H |
22 |
9 |
3838 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
3775 |
164.9 |
-0.7 |
0.562 |
0 |
0 |
0 |
0.000 |
Average: |
165.0 |
-0.6 |
0.569 |
0 |
0 |
0 |
0.000 |
10 |
27 |
|
H |
17 |
7 |
3838 |
◊ |
G |
x-1,y-1,z+1 |
1_446 |
17 |
5 |
3982 |
149.3 |
-3.6 |
0.175 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
13 |
6 |
3775 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
4197 |
111.6 |
-1.1 |
0.423 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
13 |
5 |
4212 |
◊ |
F |
x-1,y-1,z |
1_445 |
14 |
7 |
4274 |
103.8 |
-1.0 |
0.456 |
0 |
0 |
0 |
0.000 |
30 |
|
E |
13 |
7 |
3889 |
◊ |
C |
x,y,z-1 |
1_554 |
11 |
5 |
4214 |
99.6 |
-0.9 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
116.1 |
-1.7 |
0.372 |
0 |
0 |
0 |
0.000 |
11 |
31 |
|
G |
17 |
7 |
3982 |
◊ |
[PEG]G:108 |
x-1,y,z |
1_455 |
7 |
1 |
254 |
117.8 |
2.4 |
0.350 |
0 |
0 |
0 |
0.000 |
12 |
32 |
|
[PEG]D:107 |
7 |
1 |
261 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
4212 |
116.0 |
4.2 |
0.479 |
0 |
0 |
0 |
0.000 |
13 |
33 |
|
[PEG]E:106 |
7 |
1 |
257 |
f |
F |
x-1,y,z |
1_455 |
19 |
5 |
4274 |
114.3 |
2.3 |
0.350 |
1 |
0 |
0 |
0.000 |
14 |
34 |
|
[GOL]C:107 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
4214 |
110.8 |
-1.1 |
0.454 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
E |
14 |
7 |
3889 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
4212 |
110.4 |
-0.9 |
0.512 |
0 |
0 |
0 |
0.000 |
36 |
|
G |
13 |
3 |
3982 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
6 |
3775 |
94.4 |
-1.0 |
0.470 |
0 |
0 |
0 |
0.000 |
Average: |
102.4 |
-0.9 |
0.491 |
0 |
0 |
0 |
0.000 |
16 |
37 |
|
[GOL]H:107 |
6 |
1 |
217 |
◊ |
A |
x-1,y-1,z |
1_445 |
19 |
6 |
4197 |
98.2 |
-0.3 |
0.545 |
1 |
0 |
0 |
0.000 |
17 |
38 |
|
G |
7 |
3 |
3982 |
◊ |
C |
x-1,y+1,z-1 |
1_464 |
13 |
4 |
4214 |
86.5 |
-1.1 |
0.385 |
0 |
0 |
0 |
0.000 |
18 |
39 |
|
D |
13 |
4 |
4212 |
◊ |
[PEG]D:107 |
x-1,y,z |
1_455 |
7 |
1 |
261 |
85.7 |
0.7 |
0.166 |
1 |
0 |
0 |
0.000 |
19 |
40 |
|
E |
11 |
5 |
3889 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
4 |
4274 |
79.6 |
-0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
41 |
|
H |
6 |
2 |
3838 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
3775 |
64.7 |
-0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
Average: |
72.1 |
-0.2 |
0.551 |
0 |
0 |
0 |
0.000 |
20 |
42 |
|
[PEG]H:106 |
7 |
1 |
258 |
f |
D |
x-1,y,z |
1_455 |
8 |
3 |
4212 |
79.5 |
1.5 |
0.213 |
0 |
0 |
0 |
0.000 |
21 |
43 |
|
[EDO]G:107 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
3982 |
78.2 |
2.6 |
0.306 |
0 |
0 |
0 |
0.000 |
22 |
44 |
|
[PEG]E:106 |
6 |
1 |
257 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
3889 |
77.6 |
1.9 |
0.333 |
1 |
0 |
0 |
0.000 |
23 |
45 |
|
H |
9 |
3 |
3838 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
5 |
4214 |
76.7 |
0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
24 |
46 |
|
G |
8 |
3 |
3982 |
◊ |
E |
x,y,z |
1_555 |
12 |
3 |
3889 |
74.7 |
-1.1 |
0.430 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
8 |
2 |
4197 |
◊ |
F |
x-1,y,z |
1_455 |
9 |
3 |
4274 |
72.2 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
Average: |
73.4 |
-0.5 |
0.545 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
[EDO]B:107 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
3775 |
71.0 |
1.3 |
0.278 |
1 |
0 |
0 |
0.000 |
26 |
49 |
|
[GOL]F:109 |
6 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
3889 |
70.8 |
-0.3 |
0.554 |
1 |
0 |
0 |
0.000 |
27 |
50 |
|
[GOL]F:109 |
6 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
4274 |
69.6 |
-0.3 |
0.545 |
3 |
0 |
0 |
0.000 |
28 |
51 |
|
C |
10 |
3 |
4214 |
◊ |
F |
x,y-1,z+1 |
1_546 |
7 |
5 |
4274 |
68.5 |
-0.7 |
0.477 |
0 |
0 |
0 |
0.000 |
29 |
52 |
|
[PEG]H:106 |
5 |
1 |
258 |
◊ |
H |
x-1,y,z |
1_455 |
6 |
3 |
3838 |
60.8 |
1.1 |
0.263 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
H |
6 |
6 |
3838 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
3 |
4197 |
60.7 |
-0.4 |
0.528 |
0 |
0 |
0 |
0.000 |
31 |
54 |
|
H |
6 |
2 |
3838 |
◊ |
A |
x-1,y-1,z |
1_445 |
7 |
3 |
4197 |
59.7 |
1.2 |
0.855 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[GOL]H:107 |
6 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
3838 |
59.2 |
0.6 |
0.702 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
D |
9 |
3 |
4212 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
1 |
3889 |
58.3 |
-0.8 |
0.290 |
0 |
0 |
0 |
0.000 |
57 |
|
B |
3 |
1 |
3775 |
◊ |
G |
x-1,y,z+1 |
1_456 |
1 |
1 |
3982 |
11.9 |
0.3 |
0.761 |
0 |
0 |
0 |
0.000 |
Average: |
35.1 |
-0.3 |
0.525 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
C |
9 |
3 |
4214 |
◊ |
[GOL]F:108 |
x-1,y-1,z+1 |
1_446 |
4 |
1 |
216 |
55.6 |
0.6 |
0.731 |
3 |
0 |
0 |
0.000 |
35 |
59 |
|
G |
11 |
3 |
3982 |
f |
[EDO]B:107 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
55.0 |
1.4 |
0.268 |
0 |
0 |
0 |
0.000 |
36 |
60 |
|
[PEG]G:108 |
4 |
1 |
254 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
3982 |
53.9 |
1.2 |
0.331 |
0 |
0 |
0 |
0.000 |
37 |
61 |
|
[ZN]C:103 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
4214 |
45.4 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.031 |
62 |
|
[ZN]G:103 |
1 |
1 |
98 |
cf |
G |
x,y,z |
1_555 |
6 |
2 |
3982 |
44.4 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.031 |
63 |
|
[ZN]D:103 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
4212 |
44.2 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.031 |
64 |
|
[ZN]A:104 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
4197 |
44.1 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.031 |
65 |
|
[ZN]B:104 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
3775 |
43.7 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.031 |
66 |
|
[ZN]E:103 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
3889 |
42.5 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.031 |
67 |
|
H |
5 |
2 |
3838 |
f |
[ZN]A:103 |
x-1,y-1,z |
1_445 |
1 |
1 |
98 |
31.0 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
42.2 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.031 |
38 |
68 |
|
[ZN]D:106 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
4212 |
45.1 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.028 |
69 |
|
[ZN]B:106 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
3775 |
44.0 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.028 |
70 |
|
[ZN]C:105 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
4214 |
43.7 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.028 |
71 |
|
[ZN]F:107 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
4274 |
38.3 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.028 |
72 |
|
[ZN]E:105 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
3889 |
33.0 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
40.8 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.028 |
39 |
73 |
|
[EDO]G:107 |
4 |
1 |
185 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
3775 |
44.6 |
0.5 |
0.692 |
0 |
0 |
0 |
0.000 |
40 |
74 |
|
[PEG]H:106 |
7 |
1 |
258 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
3838 |
42.4 |
1.2 |
0.185 |
0 |
0 |
0 |
0.000 |
41 |
75 |
|
[CL]C:108 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
4214 |
41.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
76 |
|
A |
6 |
4 |
4197 |
◊ |
[ZN]E:104 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
41.2 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
|
[ZN]H:105 |
1 |
1 |
98 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
4 |
4212 |
40.4 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[ZN]C:106 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
4214 |
40.0 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
|
G |
5 |
3 |
3982 |
◊ |
[ZN]F:104 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
37.3 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
39.7 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
80 |
|
[ZN]C:109 |
1 |
1 |
98 |
◊ |
F |
x-1,y-1,z+1 |
1_446 |
5 |
2 |
4274 |
41.2 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
81 |
|
[CL]C:108 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
3775 |
40.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
82 |
|
[ZN]B:102 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
3775 |
40.2 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.028 |
83 |
|
[ZN]C:102 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
4214 |
39.7 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.028 |
84 |
|
[ZN]G:102 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
3982 |
39.5 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.028 |
85 |
|
[ZN]E:102 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
3889 |
39.5 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.028 |
86 |
|
[ZN]H:103 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
3838 |
39.4 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.028 |
87 |
|
[ZN]F:102 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
4274 |
39.3 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.028 |
88 |
|
[ZN]D:102 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
4212 |
37.2 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.028 |
89 |
|
[ZN]A:102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
4197 |
36.4 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
38.9 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.028 |
46 |
90 |
|
[EDO]A:106 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
3889 |
39.3 |
1.1 |
0.267 |
0 |
0 |
0 |
0.000 |
47 |
91 |
|
[ZN]A:105 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
4197 |
39.1 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.000 |
92 |
|
[ZN]D:105 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
4212 |
36.6 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.000 |
93 |
|
[ZN]G:105 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
3982 |
36.6 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.000 |
94 |
|
[ZN]D:104 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
4212 |
35.5 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.000 |
95 |
|
[ZN]G:106 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
3982 |
34.2 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.000 |
96 |
|
[ZN]E:105 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
4274 |
33.7 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.000 |
97 |
|
C |
8 |
4 |
4214 |
◊ |
[ZN]F:103 |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
98 |
30.1 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.1 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
98 |
|
[ZN]D:108 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
4212 |
39.0 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.015 |
99 |
|
[ZN]C:109 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
4 |
2 |
4214 |
34.2 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.015 |
100 |
|
H |
4 |
2 |
3838 |
f |
[ZN]C:104 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
32.4 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.015 |
101 |
|
G |
5 |
2 |
3982 |
f |
[ZN]B:103 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
31.7 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
34.3 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.015 |
49 |
102 |
|
[ZN]C:104 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
4214 |
38.5 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.000 |
103 |
|
[ZN]B:105 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3775 |
35.7 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.000 |
104 |
|
[ZN]F:106 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
4274 |
35.3 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.000 |
105 |
|
[ZN]H:104 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3838 |
25.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.000 |
106 |
|
[ZN]F:105 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
3889 |
20.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.1 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
107 |
|
[GOL]F:108 |
4 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
4274 |
37.9 |
0.3 |
0.709 |
1 |
0 |
0 |
0.000 |
51 |
108 |
|
[ZN]H:101 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
3838 |
37.9 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.018 |
52 |
109 |
|
[ZN]G:102 |
1 |
1 |
98 |
◊ |
G |
x-1,y,z |
1_455 |
7 |
4 |
3982 |
37.9 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.000 |
110 |
|
C |
7 |
4 |
4214 |
◊ |
[ZN]C:102 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
37.9 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.000 |
111 |
|
F |
7 |
4 |
4274 |
◊ |
[ZN]F:102 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
37.8 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.000 |
112 |
|
E |
7 |
4 |
3889 |
◊ |
[ZN]E:102 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
37.4 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.000 |
113 |
|
[ZN]H:103 |
1 |
1 |
98 |
◊ |
H |
x-1,y,z |
1_455 |
7 |
4 |
3838 |
37.1 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.000 |
114 |
|
[ZN]B:102 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
4 |
3775 |
36.7 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.000 |
115 |
|
D |
7 |
4 |
4212 |
◊ |
[ZN]D:102 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
35.4 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.000 |
116 |
|
[ZN]A:102 |
1 |
1 |
98 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
4197 |
33.7 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
36.7 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
117 |
|
D |
4 |
1 |
4212 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
3775 |
37.5 |
-0.9 |
0.300 |
0 |
0 |
0 |
0.000 |
54 |
118 |
|
H |
6 |
1 |
3838 |
◊ |
[GOL]F:108 |
x-2,y-1,z+1 |
1_346 |
3 |
1 |
216 |
37.3 |
-0.2 |
0.533 |
0 |
0 |
0 |
0.000 |
55 |
119 |
|
[ZN]G:104 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
3982 |
37.1 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.015 |
56 |
120 |
|
[ZN]E:104 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
3 |
1 |
3889 |
34.7 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.021 |
121 |
|
[ZN]H:105 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
3838 |
34.3 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.021 |
122 |
|
[ZN]F:104 |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
3 |
1 |
4274 |
34.2 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.021 |
123 |
|
B |
2 |
1 |
3775 |
f |
[ZN]C:106 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
10.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
28.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.021 |
57 |
124 |
|
[EDO]A:106 |
4 |
1 |
183 |
◊ |
F |
x-1,y,z |
1_455 |
7 |
2 |
4274 |
34.0 |
0.9 |
0.892 |
2 |
0 |
0 |
0.000 |
58 |
125 |
|
[ZN]D:108 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
3889 |
33.6 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.000 |
126 |
|
[ZN]B:103 |
1 |
1 |
98 |
c |
B |
x,y,z |
1_555 |
8 |
4 |
3775 |
28.0 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.8 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
127 |
|
A |
4 |
2 |
4197 |
f |
[ZN]D:105 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
33.5 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.013 |
128 |
|
[ZN]G:105 |
1 |
1 |
98 |
f |
C |
x-1,y,z-1 |
1_454 |
4 |
2 |
4214 |
31.9 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.013 |
129 |
|
[ZN]A:105 |
1 |
1 |
98 |
f |
D |
x-1,y+1,z |
1_465 |
3 |
1 |
4212 |
31.8 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
32.4 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.013 |
60 |
130 |
|
[PEG]H:106 |
7 |
1 |
258 |
f |
[ZN]H:104 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.4 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.013 |
61 |
131 |
|
[PEG]H:106 |
3 |
1 |
258 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
3775 |
32.9 |
0.9 |
0.349 |
0 |
0 |
0 |
0.000 |
62 |
132 |
|
G |
3 |
1 |
3982 |
f |
[ZN]F:106 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
32.3 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.013 |
133 |
|
[ZN]H:104 |
1 |
1 |
98 |
f |
D |
x-1,y,z |
1_455 |
3 |
1 |
4212 |
27.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.013 |
134 |
|
A |
3 |
1 |
4197 |
f |
[ZN]F:105 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
21.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.013 |
135 |
|
[ZN]B:105 |
1 |
1 |
98 |
f |
C |
x-1,y,z |
1_455 |
4 |
1 |
4214 |
15.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
24.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.013 |
63 |
136 |
|
[GOL]F:108 |
3 |
1 |
216 |
f |
[ZN]F:103 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.017 |
64 |
137 |
|
[EDO]A:106 |
4 |
1 |
183 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
3 |
3889 |
31.3 |
0.9 |
0.923 |
2 |
0 |
0 |
0.000 |
65 |
138 |
|
A |
3 |
1 |
4197 |
f |
[ZN]D:104 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
29.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.011 |
139 |
|
[ZN]G:106 |
1 |
1 |
98 |
f |
C |
x-1,y,z-1 |
1_454 |
5 |
1 |
4214 |
29.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
29.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.011 |
66 |
140 |
|
[ZN]F:103 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
4274 |
28.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.014 |
67 |
141 |
|
[ZN]A:103 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
4197 |
27.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
142 |
|
[ZN]H:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3775 |
27.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
143 |
|
[GOL]H:107 |
4 |
1 |
217 |
f |
[ZN]A:103 |
x-1,y-1,z |
1_445 |
1 |
1 |
98 |
26.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.012 |
70 |
144 |
|
[EDO]A:106 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
4197 |
25.6 |
0.6 |
0.911 |
0 |
0 |
0 |
0.000 |
71 |
145 |
|
[EDO]B:107 |
4 |
1 |
184 |
cf |
[ZN]B:103 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.010 |
146 |
|
[EDO]A:106 |
4 |
1 |
183 |
f |
[ZN]F:105 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
23.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
24.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.010 |
72 |
147 |
|
E |
5 |
2 |
3889 |
◊ |
[ZN]F:107 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
24.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.000 |
148 |
|
[ZN]B:106 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3838 |
23.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
24.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
149 |
|
[EDO]A:106 |
2 |
1 |
183 |
f |
[GOL]F:109 |
x-1,y,z |
1_455 |
4 |
1 |
217 |
24.1 |
0.5 |
0.804 |
0 |
0 |
0 |
0.000 |
74 |
150 |
|
[ZN]G:104 |
1 |
1 |
98 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
2 |
3775 |
22.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
151 |
|
[EDO]G:107 |
3 |
1 |
185 |
f |
[ZN]G:104 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.008 |
76 |
152 |
|
C |
4 |
2 |
4214 |
◊ |
G |
x,y-1,z+1 |
1_546 |
3 |
1 |
3982 |
21.7 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
77 |
153 |
|
[ZN]D:106 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
3889 |
21.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
154 |
|
[ZN]F:105 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
4274 |
20.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.000 |
155 |
|
E |
1 |
1 |
3889 |
◊ |
[ZN]F:106 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
2.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
11.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
156 |
|
[PEG]E:106 |
3 |
1 |
257 |
◊ |
[EDO]A:106 |
x,y,z |
1_555 |
1 |
1 |
183 |
19.7 |
1.2 |
0.328 |
0 |
0 |
0 |
0.000 |
80 |
157 |
|
[ZN]G:106 |
1 |
1 |
98 |
f |
[ZN]G:105 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.012 |
81 |
158 |
|
[ZN]H:101 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
4212 |
18.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
159 |
|
[ZN]B:105 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
3838 |
18.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
160 |
|
[PEG]D:107 |
2 |
1 |
261 |
f |
[ZN]D:103 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.006 |
84 |
161 |
|
[ZN]D:105 |
1 |
1 |
98 |
f |
[ZN]D:104 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.014 |
85 |
162 |
|
[ZN]B:104 |
1 |
1 |
98 |
◊ |
G |
x-1,y,z+1 |
1_456 |
2 |
1 |
3982 |
17.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.000 |
163 |
|
D |
1 |
1 |
4212 |
◊ |
[ZN]E:103 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
13.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
164 |
|
F |
2 |
2 |
4274 |
◊ |
[ZN]F:106 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
17.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.000 |
165 |
|
[ZN]H:104 |
1 |
1 |
98 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
3838 |
1.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
9.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
87 |
166 |
|
[ZN]B:104 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
3775 |
14.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.000 |
167 |
|
[ZN]G:103 |
1 |
1 |
98 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
2 |
3982 |
14.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
168 |
|
E |
5 |
4 |
3889 |
◊ |
[ZN]E:103 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
13.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
169 |
|
D |
1 |
1 |
4212 |
◊ |
[ZN]D:103 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
12.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
170 |
|
C |
1 |
1 |
4214 |
◊ |
[ZN]C:103 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
12.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
171 |
|
H |
1 |
1 |
3838 |
◊ |
[ZN]A:103 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
11.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
172 |
|
[ZN]A:104 |
1 |
1 |
98 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
4197 |
10.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
173 |
|
[ZN]C:109 |
1 |
1 |
98 |
◊ |
F |
x,y-1,z+1 |
1_546 |
3 |
2 |
4274 |
6.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
88 |
174 |
|
[GOL]F:109 |
4 |
1 |
217 |
f |
[ZN]F:105 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.004 |
89 |
175 |
|
[CL]C:108 |
1 |
1 |
125 |
f |
[ZN]C:106 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.008 |
90 |
176 |
|
[ZN]G:104 |
1 |
1 |
98 |
f |
[EDO]B:107 |
x,y,z-1 |
1_554 |
2 |
1 |
184 |
12.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.004 |
91 |
177 |
|
[PEG]E:106 |
1 |
1 |
257 |
◊ |
[GOL]F:109 |
x-1,y,z |
1_455 |
2 |
1 |
217 |
12.4 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
92 |
178 |
|
[ZN]D:102 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
3889 |
11.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
93 |
179 |
|
[EDO]G:107 |
2 |
1 |
185 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
2 |
3982 |
11.1 |
0.2 |
0.604 |
0 |
0 |
0 |
0.000 |
94 |
180 |
|
[GOL]H:107 |
2 |
1 |
217 |
◊ |
[ZN]A:102 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
11.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
95 |
181 |
|
[CL]C:108 |
1 |
1 |
125 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
4214 |
10.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
96 |
182 |
|
G |
3 |
2 |
3982 |
◊ |
[ZN]C:105 |
x-1,y+1,z-1 |
1_464 |
1 |
1 |
98 |
9.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
97 |
183 |
|
[PEG]E:106 |
1 |
1 |
257 |
f |
[ZN]F:107 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
9.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.005 |
98 |
184 |
|
[ZN]G:106 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
3889 |
9.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
185 |
|
[ZN]D:104 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3775 |
7.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
99 |
186 |
|
[ZN]H:101 |
1 |
1 |
98 |
◊ |
[ZN]B:106 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
100 |
187 |
|
H |
1 |
1 |
3838 |
f |
[FE]H:102 |
x-1,y,z |
1_455 |
1 |
1 |
137 |
6.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
188 |
|
[FE]C:101 |
1 |
1 |
137 |
f |
C |
x-1,y,z |
1_455 |
1 |
1 |
4214 |
5.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
189 |
|
[FE]E:101 |
1 |
1 |
137 |
f |
E |
x-1,y,z |
1_455 |
1 |
1 |
3889 |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
190 |
|
[FE]F:101 |
1 |
1 |
137 |
f |
F |
x-1,y,z |
1_455 |
1 |
1 |
4274 |
4.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
191 |
|
G |
1 |
1 |
3982 |
f |
[FE]G:101 |
x-1,y,z |
1_455 |
1 |
1 |
137 |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
192 |
|
A |
1 |
1 |
4197 |
f |
[FE]A:101 |
x-1,y,z |
1_455 |
1 |
1 |
137 |
3.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
193 |
|
[FE]D:101 |
1 |
1 |
137 |
f |
D |
x-1,y,z |
1_455 |
1 |
1 |
4212 |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
194 |
|
B |
1 |
1 |
3775 |
f |
[FE]B:101 |
x-1,y,z |
1_455 |
1 |
1 |
137 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
3.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
101 |
195 |
|
[GOL]H:107 |
1 |
1 |
217 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
4197 |
5.5 |
0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
102 |
196 |
|
A |
1 |
1 |
4197 |
f |
[GOL]F:109 |
x-1,y,z |
1_455 |
4 |
1 |
217 |
4.6 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
103 |
197 |
|
[ZN]D:108 |
1 |
1 |
98 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
3889 |
4.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
104 |
198 |
|
F |
1 |
1 |
4274 |
◊ |
[ZN]F:104 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
4.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
199 |
|
E |
1 |
1 |
3889 |
◊ |
[ZN]E:104 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
1.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
3.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
105 |
200 |
|
H |
2 |
2 |
3838 |
◊ |
[GOL]F:108 |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
216 |
3.9 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
106 |
201 |
|
E |
1 |
1 |
3889 |
◊ |
[GOL]C:107 |
x-1,y,z-1 |
1_454 |
1 |
1 |
214 |
3.7 |
-0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
107 |
202 |
|
[ZN]H:103 |
1 |
1 |
98 |
◊ |
[GOL]F:108 |
x-2,y-1,z+1 |
1_346 |
2 |
1 |
216 |
1.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
108 |
203 |
|
[ZN]B:104 |
1 |
1 |
98 |
◊ |
[ZN]B:103 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
1.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
109 |
204 |
|
[PEG]H:106 |
1 |
1 |
258 |
◊ |
[FE]H:102 |
x-1,y,z |
1_455 |
1 |
1 |
137 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
110 |
205 |
|
H |
1 |
1 |
3838 |
◊ |
D |
x-2,y,z |
1_355 |
1 |
1 |
4212 |
0.7 |
0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
|