| ## |
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 |
178 |
53 |
14956 |
◊ |
A |
x,y,z |
1_555 |
170 |
44 |
14708 |
1610.9 |
-12.0 |
0.122 |
20 |
3 |
0 |
0.241 |
2 |
|
C |
161 |
41 |
14827 |
◊ |
B |
x,y,z |
1_555 |
177 |
51 |
15028 |
1583.9 |
-12.2 |
0.128 |
20 |
4 |
0 |
0.241 |
3 |
|
D |
165 |
41 |
14956 |
◊ |
C |
x,y,z |
1_555 |
179 |
51 |
14827 |
1579.8 |
-13.8 |
0.092 |
19 |
4 |
0 |
0.241 |
4 |
|
B |
163 |
43 |
15028 |
◊ |
A |
x,y,z |
1_555 |
181 |
52 |
14708 |
1556.2 |
-12.9 |
0.109 |
19 |
3 |
0 |
0.241 |
| Average: |
1582.7 |
-12.7 |
0.113 |
20 |
4 |
0 |
0.241 |
| 2 |
5 |
|
C |
113 |
33 |
14827 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
112 |
32 |
15028 |
1029.7 |
-7.7 |
0.190 |
9 |
1 |
0 |
0.064 |
| 3 |
6 |
|
D |
75 |
25 |
14956 |
◊ |
A |
y-1,x,-z |
4_455 |
82 |
29 |
14708 |
718.1 |
-2.1 |
0.469 |
11 |
0 |
0 |
0.000 |
| 4 |
7 |
|
D |
27 |
8 |
14956 |
◊ |
D |
y-1,x+1,-z |
4_465 |
27 |
8 |
14956 |
205.8 |
-0.5 |
0.534 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[NAG]A:500 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
18 |
6 |
14708 |
154.6 |
4.0 |
0.388 |
1 |
0 |
0 |
0.000 |
9 |
|
[NAG]D:500 |
12 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
18 |
6 |
14956 |
142.4 |
3.4 |
0.354 |
1 |
0 |
0 |
0.000 |
| Average: |
148.5 |
3.7 |
0.371 |
1 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[NAG]B:500 |
12 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
13 |
6 |
15028 |
153.9 |
4.0 |
0.388 |
0 |
0 |
0 |
0.000 |
11 |
|
[NAG]C:500 |
12 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
18 |
6 |
14827 |
140.2 |
3.2 |
0.373 |
1 |
0 |
0 |
0.000 |
| Average: |
147.0 |
3.6 |
0.381 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[MAN]B:508 |
9 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
14708 |
132.7 |
4.1 |
0.451 |
3 |
0 |
0 |
0.000 |
13 |
|
[MAN]A:508 |
9 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
14956 |
125.6 |
3.9 |
0.486 |
3 |
0 |
0 |
0.000 |
14 |
|
[MAN]C:508 |
9 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
15028 |
123.7 |
4.0 |
0.512 |
3 |
0 |
0 |
0.000 |
15 |
|
[MAN]D:508 |
10 |
1 |
292 |
◊ |
C |
x,y,z |
1_555 |
22 |
9 |
14827 |
123.1 |
4.1 |
0.421 |
4 |
0 |
0 |
0.000 |
| Average: |
126.3 |
4.0 |
0.468 |
3 |
0 |
0 |
0.000 |
| 8 |
16 |
|
[NAG]B:504 |
10 |
1 |
358 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
14708 |
122.6 |
2.8 |
0.369 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]C:504 |
10 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
15028 |
119.6 |
2.8 |
0.360 |
1 |
0 |
0 |
0.000 |
18 |
|
[NAG]A:504 |
10 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
14956 |
114.1 |
2.6 |
0.332 |
1 |
0 |
0 |
0.000 |
19 |
|
[NAG]D:504 |
9 |
1 |
358 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
14827 |
110.2 |
2.4 |
0.370 |
1 |
0 |
0 |
0.000 |
| Average: |
116.6 |
2.6 |
0.358 |
1 |
0 |
0 |
0.000 |
| 9 |
20 |
|
[GOL]A:5002 |
6 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
15028 |
122.5 |
-0.7 |
0.523 |
1 |
0 |
0 |
0.006 |
| 10 |
21 |
|
[NAG]A:501 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
15 |
3 |
14708 |
108.5 |
2.2 |
0.281 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]D:501 |
12 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
13 |
3 |
14956 |
107.8 |
2.3 |
0.253 |
1 |
0 |
0 |
0.000 |
23 |
|
[NAG]B:501 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
12 |
3 |
15028 |
105.9 |
2.2 |
0.318 |
1 |
0 |
0 |
0.000 |
| Average: |
107.4 |
2.2 |
0.284 |
1 |
0 |
0 |
0.000 |
| 11 |
24 |
|
[NAG]C:501 |
12 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
12 |
2 |
14827 |
105.5 |
2.5 |
0.258 |
0 |
0 |
0 |
0.000 |
| 12 |
25 |
|
[SO4]D:4514 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
14956 |
100.0 |
-12.7 |
0.938 |
8 |
0 |
0 |
0.045 |
| 13 |
26 |
|
[SO4]C:3514 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
14827 |
98.9 |
-13.0 |
0.936 |
7 |
0 |
0 |
0.087 |
| 14 |
27 |
|
[SO4]A:1514 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14708 |
96.0 |
-12.9 |
0.932 |
5 |
0 |
0 |
0.041 |
| 15 |
28 |
|
[SO4]B:2514 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15028 |
95.2 |
-12.0 |
0.910 |
6 |
0 |
0 |
0.079 |
| 16 |
29 |
|
[SO4]B:2513 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15028 |
94.4 |
-14.0 |
0.804 |
6 |
0 |
0 |
0.090 |
| 17 |
30 |
|
[MAN]A:507 |
8 |
1 |
289 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
14956 |
92.7 |
2.4 |
0.452 |
3 |
0 |
0 |
0.000 |
31 |
|
[MAN]B:507 |
8 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
14708 |
91.7 |
2.4 |
0.409 |
3 |
0 |
0 |
0.000 |
32 |
|
[MAN]C:507 |
8 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
15028 |
88.1 |
1.9 |
0.405 |
2 |
0 |
0 |
0.000 |
33 |
|
[MAN]D:507 |
8 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
12 |
7 |
14827 |
86.0 |
2.2 |
0.429 |
3 |
0 |
0 |
0.000 |
| Average: |
89.6 |
2.2 |
0.424 |
3 |
0 |
0 |
0.000 |
| 18 |
34 |
|
[NAG]C:503 |
9 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
15028 |
92.3 |
1.6 |
0.251 |
1 |
0 |
0 |
0.000 |
35 |
|
[NAG]B:503 |
9 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
14708 |
91.0 |
1.5 |
0.256 |
2 |
0 |
0 |
0.000 |
36 |
|
[NAG]A:503 |
8 |
1 |
363 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
14956 |
87.5 |
1.5 |
0.300 |
3 |
0 |
0 |
0.000 |
37 |
|
[NAG]D:503 |
8 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
14827 |
83.4 |
1.3 |
0.247 |
3 |
0 |
0 |
0.000 |
| Average: |
88.6 |
1.5 |
0.264 |
2 |
0 |
0 |
0.000 |
| 19 |
38 |
|
[SO4]D:4520 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
4 |
14956 |
91.4 |
-12.4 |
0.853 |
2 |
0 |
0 |
0.037 |
| 20 |
39 |
|
[SO4]C:3513 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
14827 |
91.3 |
-13.9 |
0.790 |
5 |
0 |
0 |
0.087 |
| 21 |
40 |
|
C |
13 |
5 |
14827 |
◊ |
[MAN]B:511 |
x-1,y,z |
1_455 |
7 |
1 |
289 |
90.9 |
1.3 |
0.334 |
2 |
0 |
0 |
0.000 |
| 22 |
41 |
|
[SO4]A:1520 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
4 |
14708 |
90.8 |
-11.9 |
0.852 |
3 |
0 |
0 |
0.036 |
| 23 |
42 |
|
[SO4]C:3520 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
14827 |
90.3 |
-12.1 |
0.876 |
4 |
0 |
0 |
0.075 |
| 24 |
43 |
|
[BMA]A:505 |
9 |
1 |
293 |
◊ |
D |
x,y,z |
1_555 |
19 |
8 |
14956 |
90.1 |
0.8 |
0.213 |
2 |
0 |
0 |
0.000 |
44 |
|
[BMA]D:505 |
9 |
1 |
292 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
14827 |
87.6 |
0.9 |
0.226 |
1 |
0 |
0 |
0.000 |
45 |
|
[BMA]C:505 |
9 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
15028 |
86.8 |
0.7 |
0.235 |
1 |
0 |
0 |
0.000 |
46 |
|
[BMA]B:505 |
9 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
14708 |
85.2 |
0.9 |
0.236 |
2 |
0 |
0 |
0.000 |
| Average: |
87.4 |
0.8 |
0.228 |
2 |
0 |
0 |
0.000 |
| 25 |
47 |
|
[SO4]D:4513 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
14956 |
89.1 |
-13.6 |
0.669 |
4 |
0 |
0 |
0.083 |
48 |
|
[SO4]A:1513 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14708 |
85.7 |
-13.1 |
0.647 |
4 |
0 |
0 |
0.083 |
| Average: |
87.4 |
-13.4 |
0.658 |
4 |
0 |
0 |
0.083 |
| 26 |
49 |
|
[SO4]B:2520 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
4 |
15028 |
88.5 |
-11.8 |
0.850 |
3 |
0 |
0 |
0.071 |
| 27 |
50 |
|
[GOL]A:5003 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14708 |
88.3 |
0.1 |
0.622 |
2 |
0 |
0 |
0.002 |
| 28 |
51 |
|
[NAG]D:503 |
8 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
10 |
3 |
14956 |
84.3 |
3.2 |
0.448 |
0 |
0 |
0 |
0.000 |
52 |
|
[NAG]A:503 |
7 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
14708 |
82.0 |
2.9 |
0.524 |
0 |
0 |
0 |
0.000 |
53 |
|
[NAG]C:503 |
8 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
8 |
2 |
14827 |
78.8 |
2.9 |
0.439 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]B:503 |
7 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
8 |
2 |
15028 |
78.0 |
2.8 |
0.458 |
0 |
0 |
0 |
0.000 |
| Average: |
80.8 |
2.9 |
0.467 |
0 |
0 |
0 |
0.000 |
| 29 |
55 |
|
[MAN]C:506 |
7 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
15028 |
81.8 |
1.4 |
0.331 |
1 |
0 |
0 |
0.000 |
56 |
|
[MAN]A:506 |
7 |
1 |
294 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
14956 |
81.7 |
1.4 |
0.347 |
1 |
0 |
0 |
0.000 |
57 |
|
[MAN]D:506 |
7 |
1 |
288 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
14827 |
81.5 |
1.4 |
0.351 |
1 |
0 |
0 |
0.000 |
58 |
|
[MAN]B:506 |
7 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
14708 |
80.3 |
1.4 |
0.327 |
1 |
0 |
0 |
0.000 |
| Average: |
81.3 |
1.4 |
0.339 |
1 |
0 |
0 |
0.000 |
| 30 |
59 |
|
[MAN]D:510 |
6 |
1 |
290 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
4 |
14708 |
77.4 |
0.6 |
0.284 |
1 |
0 |
0 |
0.000 |
| 31 |
60 |
|
[SO4]D:4515 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
14956 |
73.9 |
-8.0 |
0.946 |
5 |
0 |
0 |
0.028 |
| 32 |
61 |
|
[SO4]A:1517 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14708 |
73.3 |
-10.8 |
0.644 |
3 |
0 |
0 |
0.033 |
| 33 |
62 |
|
[SO4]C:3517 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
14827 |
72.9 |
-11.3 |
0.660 |
4 |
0 |
0 |
0.071 |
| 34 |
63 |
|
[NAG]C:504 |
10 |
1 |
358 |
cf |
[NAG]C:503 |
x,y,z |
1_555 |
6 |
1 |
362 |
71.9 |
1.7 |
0.077 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]B:504 |
11 |
1 |
358 |
cf |
[NAG]B:503 |
x,y,z |
1_555 |
6 |
1 |
361 |
71.1 |
1.8 |
0.072 |
0 |
0 |
0 |
0.000 |
65 |
|
[NAG]A:504 |
10 |
1 |
360 |
cf |
[NAG]A:503 |
x,y,z |
1_555 |
6 |
1 |
363 |
69.8 |
1.8 |
0.081 |
0 |
0 |
0 |
0.000 |
66 |
|
[NAG]D:504 |
10 |
1 |
358 |
cf |
[NAG]D:503 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.0 |
1.6 |
0.069 |
0 |
0 |
0 |
0.000 |
| Average: |
70.5 |
1.7 |
0.075 |
0 |
0 |
0 |
0.000 |
| 35 |
67 |
|
[NAG]B:502 |
8 |
1 |
366 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
6 |
1 |
361 |
71.4 |
1.6 |
0.090 |
1 |
0 |
0 |
0.000 |
68 |
|
[NAG]A:502 |
10 |
1 |
361 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
6 |
1 |
359 |
68.2 |
1.4 |
0.078 |
0 |
0 |
0 |
0.000 |
| Average: |
69.8 |
1.5 |
0.084 |
1 |
0 |
0 |
0.000 |
| 36 |
69 |
|
[SO4]C:3519 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
14827 |
70.8 |
-8.8 |
0.927 |
4 |
0 |
0 |
0.057 |
| 37 |
70 |
|
[NAG]C:502 |
9 |
1 |
355 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
5 |
1 |
359 |
70.3 |
2.0 |
0.130 |
1 |
0 |
0 |
0.000 |
| 38 |
71 |
|
[SO4]A:1519 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
14708 |
69.3 |
-8.9 |
0.890 |
3 |
0 |
0 |
0.028 |
| 39 |
72 |
|
[SO4]D:4519 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
14956 |
69.2 |
-8.5 |
0.916 |
2 |
0 |
0 |
0.026 |
| 40 |
73 |
|
[SO4]C:3518 |
5 |
1 |
186 |
f |
B |
x-y,-y+1,-z+1/3 |
5_565 |
10 |
6 |
15028 |
67.1 |
-9.8 |
0.649 |
1 |
0 |
0 |
0.056 |
| 41 |
74 |
|
[SO4]B:2519 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
15028 |
66.9 |
-8.0 |
0.924 |
2 |
0 |
0 |
0.048 |
| 42 |
75 |
|
[NAG]D:502 |
9 |
1 |
365 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
7 |
1 |
359 |
65.3 |
1.4 |
0.077 |
0 |
0 |
0 |
0.000 |
| 43 |
76 |
|
[SO4]C:3521 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
14827 |
65.1 |
-9.4 |
0.637 |
2 |
0 |
0 |
0.056 |
| 44 |
77 |
|
[SO4]C:3521 |
4 |
1 |
184 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
7 |
3 |
15028 |
63.8 |
-8.8 |
0.737 |
3 |
0 |
0 |
0.055 |
| 45 |
78 |
|
[MAN]B:512 |
7 |
1 |
291 |
cf |
[MAN]B:511 |
x,y,z |
1_555 |
7 |
1 |
289 |
63.4 |
2.7 |
0.183 |
0 |
0 |
0 |
0.000 |
| 46 |
79 |
|
[MAN]D:511 |
8 |
1 |
294 |
cf |
[MAN]D:509 |
x,y,z |
1_555 |
6 |
1 |
290 |
62.8 |
2.7 |
0.181 |
0 |
0 |
0 |
0.000 |
80 |
|
[MAN]A:511 |
6 |
1 |
290 |
cf |
[MAN]A:509 |
x,y,z |
1_555 |
6 |
1 |
287 |
61.7 |
2.7 |
0.258 |
0 |
0 |
0 |
0.000 |
81 |
|
[MAN]C:511 |
7 |
1 |
293 |
cf |
[MAN]C:509 |
x,y,z |
1_555 |
6 |
1 |
290 |
60.9 |
2.7 |
0.211 |
0 |
0 |
0 |
0.000 |
| Average: |
61.8 |
2.7 |
0.217 |
0 |
0 |
0 |
0.000 |
| 47 |
82 |
|
[SO4]C:3518 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
14827 |
61.9 |
-8.5 |
0.684 |
3 |
0 |
0 |
0.053 |
| 48 |
83 |
|
[MAN]B:508 |
6 |
1 |
291 |
cf |
[MAN]B:507 |
x,y,z |
1_555 |
7 |
1 |
292 |
61.3 |
2.9 |
0.233 |
0 |
0 |
0 |
0.000 |
84 |
|
[MAN]A:508 |
6 |
1 |
290 |
cf |
[MAN]A:507 |
x,y,z |
1_555 |
6 |
1 |
289 |
57.8 |
2.6 |
0.272 |
0 |
0 |
0 |
0.000 |
85 |
|
[MAN]C:508 |
6 |
1 |
292 |
cf |
[MAN]C:507 |
x,y,z |
1_555 |
7 |
1 |
288 |
57.2 |
2.7 |
0.246 |
0 |
0 |
0 |
0.000 |
86 |
|
[MAN]D:508 |
6 |
1 |
292 |
cf |
[MAN]D:507 |
x,y,z |
1_555 |
7 |
1 |
291 |
53.9 |
2.5 |
0.218 |
0 |
0 |
0 |
0.000 |
| Average: |
57.5 |
2.7 |
0.242 |
0 |
0 |
0 |
0.000 |
| 49 |
87 |
|
[MAN]A:510 |
8 |
1 |
293 |
cf |
[MAN]A:509 |
x,y,z |
1_555 |
5 |
1 |
287 |
60.6 |
2.4 |
0.207 |
0 |
0 |
0 |
0.000 |
| 50 |
88 |
|
[SO4]A:1518 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14708 |
60.4 |
-8.0 |
0.725 |
2 |
0 |
0 |
0.024 |
| 51 |
89 |
|
[SO4]B:2515 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
15028 |
60.4 |
-6.1 |
0.957 |
4 |
0 |
0 |
0.042 |
| 52 |
90 |
|
[SO4]A:1515 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
14708 |
59.9 |
-5.9 |
0.946 |
5 |
0 |
0 |
0.022 |
| 53 |
91 |
|
[SO4]C:3515 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
14827 |
59.7 |
-5.9 |
0.956 |
4 |
0 |
0 |
0.042 |
| 54 |
92 |
|
[MAN]B:510 |
7 |
1 |
296 |
cf |
[MAN]B:509 |
x,y,z |
1_555 |
7 |
1 |
291 |
59.4 |
2.7 |
0.203 |
0 |
0 |
0 |
0.000 |
| 55 |
93 |
|
[MAN]B:507 |
6 |
1 |
292 |
cf |
[MAN]B:506 |
x,y,z |
1_555 |
6 |
1 |
291 |
58.4 |
2.6 |
0.229 |
0 |
0 |
0 |
0.000 |
94 |
|
[MAN]A:507 |
5 |
1 |
289 |
cf |
[MAN]A:506 |
x,y,z |
1_555 |
7 |
1 |
294 |
57.4 |
2.5 |
0.226 |
0 |
0 |
0 |
0.000 |
95 |
|
[MAN]D:507 |
6 |
1 |
291 |
cf |
[MAN]D:506 |
x,y,z |
1_555 |
6 |
1 |
288 |
54.5 |
2.5 |
0.235 |
0 |
0 |
0 |
0.000 |
| Average: |
56.8 |
2.5 |
0.230 |
0 |
0 |
0 |
0.000 |
| 56 |
96 |
|
[MAN]D:510 |
7 |
1 |
290 |
cf |
[MAN]D:509 |
x,y,z |
1_555 |
4 |
1 |
290 |
58.1 |
2.4 |
0.250 |
0 |
0 |
0 |
0.000 |
| 57 |
97 |
|
[MAN]C:510 |
7 |
1 |
287 |
cf |
[MAN]C:509 |
x,y,z |
1_555 |
5 |
1 |
290 |
56.8 |
2.4 |
0.193 |
0 |
0 |
0 |
0.000 |
| 58 |
98 |
|
[MAN]C:507 |
6 |
1 |
288 |
cf |
[MAN]C:506 |
x,y,z |
1_555 |
5 |
1 |
292 |
56.5 |
2.5 |
0.250 |
0 |
0 |
0 |
0.000 |
| 59 |
99 |
|
[MAN]B:511 |
6 |
1 |
289 |
cf |
[MAN]B:509 |
x,y,z |
1_555 |
5 |
1 |
291 |
56.3 |
2.5 |
0.292 |
0 |
0 |
0 |
0.000 |
| 60 |
100 |
|
C |
8 |
3 |
14827 |
◊ |
[MAN]B:510 |
x-1,y,z |
1_455 |
5 |
1 |
296 |
55.9 |
1.2 |
0.381 |
0 |
0 |
0 |
0.000 |
| 61 |
101 |
|
[MAN]A:506 |
6 |
1 |
294 |
cf |
[BMA]A:505 |
x,y,z |
1_555 |
6 |
1 |
293 |
55.3 |
2.5 |
0.232 |
0 |
0 |
0 |
0.000 |
102 |
|
[MAN]C:506 |
6 |
1 |
292 |
cf |
[BMA]C:505 |
x,y,z |
1_555 |
6 |
1 |
293 |
54.8 |
2.5 |
0.219 |
0 |
0 |
0 |
0.000 |
103 |
|
[MAN]B:506 |
6 |
1 |
291 |
cf |
[BMA]B:505 |
x,y,z |
1_555 |
6 |
1 |
289 |
54.1 |
2.4 |
0.211 |
0 |
0 |
0 |
0.000 |
104 |
|
[MAN]D:506 |
6 |
1 |
288 |
cf |
[BMA]D:505 |
x,y,z |
1_555 |
6 |
1 |
292 |
54.0 |
2.3 |
0.220 |
0 |
0 |
0 |
0.000 |
| Average: |
54.5 |
2.4 |
0.220 |
0 |
0 |
0 |
0.000 |
| 62 |
105 |
|
[CL]A:1522 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14708 |
54.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.079 |
106 |
|
[CL]C:3522 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
14827 |
53.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.079 |
107 |
|
[CL]B:2522 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
15028 |
53.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.079 |
108 |
|
[CL]D:4522 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
14956 |
53.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
53.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.079 |
| 63 |
109 |
|
[SO4]A:1515 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
14956 |
54.2 |
-6.6 |
0.717 |
0 |
0 |
0 |
0.018 |
| 64 |
110 |
|
[BMA]B:505 |
6 |
1 |
289 |
cf |
[NAG]B:504 |
x,y,z |
1_555 |
5 |
1 |
358 |
53.8 |
0.9 |
0.114 |
0 |
0 |
0 |
0.000 |
111 |
|
[BMA]A:505 |
6 |
1 |
293 |
cf |
[NAG]A:504 |
x,y,z |
1_555 |
5 |
1 |
360 |
53.5 |
0.9 |
0.110 |
0 |
0 |
0 |
0.000 |
112 |
|
[BMA]D:505 |
6 |
1 |
292 |
cf |
[NAG]D:504 |
x,y,z |
1_555 |
5 |
1 |
358 |
52.9 |
0.8 |
0.112 |
0 |
0 |
0 |
0.000 |
113 |
|
[BMA]C:505 |
7 |
1 |
293 |
cf |
[NAG]C:504 |
x,y,z |
1_555 |
5 |
1 |
358 |
52.6 |
0.7 |
0.102 |
0 |
0 |
0 |
0.000 |
| Average: |
53.2 |
0.8 |
0.109 |
0 |
0 |
0 |
0.000 |
| 65 |
114 |
|
[SO4]B:3516 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
14827 |
53.2 |
-6.2 |
0.598 |
0 |
0 |
0 |
0.034 |
| 66 |
115 |
|
[SO4]A:2516 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
15028 |
52.4 |
-6.4 |
0.596 |
0 |
0 |
0 |
0.034 |
| 67 |
116 |
|
[MAN]D:509 |
6 |
1 |
290 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
14827 |
52.4 |
1.4 |
0.447 |
0 |
0 |
0 |
0.000 |
| 68 |
117 |
|
[MAN]A:509 |
6 |
1 |
287 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
14956 |
52.3 |
1.5 |
0.431 |
0 |
0 |
0 |
0.000 |
118 |
|
[MAN]C:509 |
6 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
15028 |
51.3 |
1.3 |
0.380 |
0 |
0 |
0 |
0.000 |
119 |
|
[MAN]B:509 |
6 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14708 |
51.0 |
1.1 |
0.354 |
0 |
0 |
0 |
0.000 |
| Average: |
51.5 |
1.3 |
0.388 |
0 |
0 |
0 |
0.000 |
| 69 |
120 |
|
[SO4]C:4516 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
14956 |
52.2 |
-5.7 |
0.622 |
0 |
0 |
0 |
0.031 |
121 |
|
[SO4]D:1516 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14708 |
51.1 |
-5.8 |
0.612 |
0 |
0 |
0 |
0.031 |
| Average: |
51.6 |
-5.7 |
0.617 |
0 |
0 |
0 |
0.031 |
| 70 |
122 |
|
[GOL]A:5002 |
5 |
1 |
209 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
14708 |
50.7 |
1.3 |
0.828 |
3 |
0 |
0 |
0.000 |
| 71 |
123 |
|
[SO4]B:2515 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14708 |
50.5 |
-6.2 |
0.715 |
0 |
0 |
0 |
0.017 |
| 72 |
124 |
|
[GOL]A:5001 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14708 |
50.3 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
| 73 |
125 |
|
[MAN]A:509 |
6 |
1 |
287 |
cf |
[BMA]A:505 |
x,y,z |
1_555 |
4 |
1 |
293 |
49.0 |
2.3 |
0.282 |
0 |
0 |
0 |
0.000 |
126 |
|
[MAN]D:509 |
6 |
1 |
290 |
cf |
[BMA]D:505 |
x,y,z |
1_555 |
5 |
1 |
292 |
48.3 |
2.2 |
0.267 |
0 |
0 |
0 |
0.000 |
127 |
|
[MAN]C:509 |
6 |
1 |
290 |
cf |
[BMA]C:505 |
x,y,z |
1_555 |
4 |
1 |
293 |
48.0 |
2.2 |
0.268 |
0 |
0 |
0 |
0.000 |
| Average: |
48.5 |
2.2 |
0.272 |
0 |
0 |
0 |
0.000 |
| 74 |
128 |
|
[SO4]B:3516 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
15028 |
48.5 |
-5.7 |
0.842 |
1 |
0 |
0 |
0.017 |
| 75 |
129 |
|
[MAN]B:509 |
6 |
1 |
291 |
cf |
[BMA]B:505 |
x,y,z |
1_555 |
5 |
1 |
289 |
47.5 |
2.1 |
0.259 |
0 |
0 |
0 |
0.000 |
| 76 |
130 |
|
[SO4]D:4515 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
14827 |
47.5 |
-5.7 |
0.724 |
0 |
0 |
0 |
0.016 |
| 77 |
131 |
|
[SO4]C:4516 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
14827 |
47.5 |
-5.8 |
0.784 |
2 |
0 |
0 |
0.036 |
132 |
|
[SO4]D:1516 |
3 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
14956 |
45.7 |
-5.4 |
0.826 |
2 |
0 |
0 |
0.036 |
| Average: |
46.6 |
-5.6 |
0.805 |
2 |
0 |
0 |
0.036 |
| 78 |
133 |
|
[SO4]C:3515 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
15028 |
46.7 |
-5.5 |
0.727 |
0 |
0 |
0 |
0.015 |
| 79 |
134 |
|
[MAN]D:511 |
7 |
1 |
294 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
14708 |
46.6 |
1.1 |
0.262 |
1 |
0 |
0 |
0.000 |
| 80 |
135 |
|
[SO4]A:2516 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14708 |
46.3 |
-5.4 |
0.836 |
2 |
0 |
0 |
0.017 |
| 81 |
136 |
|
D |
6 |
3 |
14956 |
◊ |
C |
y-1,x+1,-z |
4_465 |
8 |
5 |
14827 |
45.9 |
-0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
| 82 |
137 |
|
[MAN]D:511 |
4 |
1 |
294 |
◊ |
D |
y-1,x+1,-z |
4_465 |
4 |
2 |
14956 |
45.2 |
0.6 |
0.362 |
0 |
0 |
0 |
0.000 |
| 83 |
138 |
|
[MAN]B:508 |
4 |
1 |
291 |
f |
[MAN]B:506 |
x,y,z |
1_555 |
4 |
1 |
291 |
44.4 |
1.7 |
0.236 |
0 |
0 |
0 |
0.000 |
139 |
|
[MAN]D:508 |
4 |
1 |
292 |
f |
[MAN]D:506 |
x,y,z |
1_555 |
4 |
1 |
288 |
40.9 |
1.4 |
0.264 |
0 |
0 |
0 |
0.000 |
140 |
|
[MAN]A:508 |
4 |
1 |
290 |
f |
[MAN]A:506 |
x,y,z |
1_555 |
4 |
1 |
294 |
39.8 |
1.5 |
0.256 |
0 |
0 |
0 |
0.000 |
141 |
|
[MAN]C:508 |
4 |
1 |
292 |
f |
[MAN]C:506 |
x,y,z |
1_555 |
4 |
1 |
292 |
39.5 |
1.5 |
0.218 |
0 |
0 |
0 |
0.000 |
| Average: |
41.2 |
1.5 |
0.244 |
0 |
0 |
0 |
0.000 |
| 84 |
142 |
|
[MAN]D:509 |
4 |
1 |
290 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
1 |
14708 |
43.5 |
0.3 |
0.330 |
0 |
0 |
0 |
0.000 |
| 85 |
143 |
|
C |
5 |
3 |
14827 |
◊ |
[NAG]B:502 |
x-y,-y+1,-z+1/3 |
5_565 |
3 |
1 |
366 |
42.4 |
1.4 |
0.608 |
0 |
0 |
0 |
0.000 |
| 86 |
144 |
|
[MAN]A:511 |
3 |
1 |
290 |
f |
[NAG]A:504 |
x,y,z |
1_555 |
9 |
1 |
360 |
42.1 |
1.6 |
0.126 |
0 |
0 |
0 |
0.000 |
145 |
|
[MAN]D:511 |
3 |
1 |
294 |
f |
[NAG]D:504 |
x,y,z |
1_555 |
8 |
1 |
358 |
41.9 |
1.5 |
0.148 |
0 |
0 |
0 |
0.000 |
146 |
|
[MAN]C:511 |
3 |
1 |
293 |
f |
[NAG]C:504 |
x,y,z |
1_555 |
9 |
1 |
358 |
41.3 |
1.4 |
0.116 |
0 |
0 |
0 |
0.000 |
147 |
|
[MAN]B:510 |
3 |
1 |
296 |
f |
[NAG]B:504 |
x,y,z |
1_555 |
9 |
1 |
358 |
38.6 |
1.5 |
0.130 |
0 |
0 |
0 |
0.000 |
| Average: |
41.0 |
1.5 |
0.130 |
0 |
0 |
0 |
0.000 |
| 87 |
148 |
|
[MAN]B:512 |
2 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14708 |
41.4 |
0.7 |
0.433 |
0 |
0 |
0 |
0.000 |
| 88 |
149 |
|
[MAN]D:507 |
4 |
1 |
291 |
◊ |
[MAN]B:512 |
x-1,y,z |
1_455 |
5 |
1 |
291 |
41.1 |
0.8 |
0.142 |
0 |
0 |
0 |
0.000 |
| 89 |
150 |
|
[SO4]C:3520 |
5 |
1 |
187 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
4 |
2 |
15028 |
40.1 |
-5.4 |
0.662 |
1 |
0 |
0 |
0.032 |
| 90 |
151 |
|
[MAN]A:508 |
3 |
1 |
290 |
◊ |
A |
y-1,x,-z |
4_455 |
5 |
1 |
14708 |
39.7 |
1.0 |
0.478 |
0 |
0 |
0 |
0.000 |
| 91 |
152 |
|
[SO4]C:3517 |
4 |
1 |
185 |
◊ |
[MAN]B:510 |
x-1,y,z |
1_455 |
4 |
1 |
296 |
39.2 |
-4.5 |
0.418 |
0 |
0 |
0 |
0.000 |
| 92 |
153 |
|
C |
3 |
1 |
14827 |
◊ |
[SO4]B:2520 |
x-y,-y+1,-z+1/3 |
5_565 |
4 |
1 |
185 |
37.0 |
-4.7 |
0.628 |
1 |
0 |
0 |
0.028 |
| 93 |
154 |
|
C |
3 |
1 |
14827 |
◊ |
[MAN]B:509 |
x-1,y,z |
1_455 |
5 |
1 |
291 |
35.2 |
0.0 |
0.182 |
1 |
0 |
0 |
0.000 |
| 94 |
155 |
|
[NAG]B:502 |
4 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
15028 |
33.7 |
0.2 |
0.175 |
0 |
0 |
0 |
0.000 |
156 |
|
[NAG]A:502 |
4 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14708 |
30.4 |
0.2 |
0.178 |
0 |
0 |
0 |
0.000 |
| Average: |
32.0 |
0.2 |
0.176 |
0 |
0 |
0 |
0.000 |
| 95 |
157 |
|
D |
3 |
2 |
14956 |
◊ |
[SO4]A:1513 |
y-1,x,-z |
4_455 |
3 |
1 |
186 |
31.9 |
-4.1 |
0.623 |
0 |
0 |
0 |
0.000 |
| 96 |
158 |
|
[NAG]C:502 |
3 |
1 |
355 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
5 |
2 |
15028 |
31.8 |
0.6 |
0.374 |
0 |
0 |
0 |
0.000 |
| 97 |
159 |
|
[NAG]D:502 |
4 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
14956 |
31.2 |
0.2 |
0.172 |
0 |
0 |
0 |
0.000 |
| 98 |
160 |
|
[MAN]B:512 |
4 |
1 |
291 |
f |
[MAN]B:509 |
x,y,z |
1_555 |
2 |
1 |
291 |
26.6 |
1.1 |
0.266 |
0 |
0 |
0 |
0.000 |
| 99 |
161 |
|
[NAG]D:501 |
4 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14827 |
24.9 |
0.4 |
0.330 |
1 |
0 |
0 |
0.000 |
162 |
|
[NAG]A:501 |
3 |
1 |
359 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14956 |
22.9 |
0.3 |
0.353 |
0 |
0 |
0 |
0.000 |
163 |
|
[NAG]B:501 |
2 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14708 |
22.7 |
0.3 |
0.358 |
0 |
0 |
0 |
0.000 |
| Average: |
23.5 |
0.3 |
0.347 |
0 |
0 |
0 |
0.000 |
| 100 |
164 |
|
[SO4]C:3514 |
3 |
1 |
186 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
2 |
2 |
15028 |
24.4 |
-2.4 |
0.933 |
0 |
0 |
0 |
0.013 |
| 101 |
165 |
|
D |
3 |
1 |
14956 |
◊ |
[GOL]A:5001 |
y-1,x,-z |
4_455 |
2 |
1 |
217 |
24.4 |
-0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
| 102 |
166 |
|
[SO4]C:3521 |
3 |
1 |
184 |
◊ |
[MAN]D:508 |
x,y,z |
1_555 |
3 |
1 |
292 |
23.9 |
-2.6 |
0.460 |
0 |
0 |
0 |
0.007 |
| 103 |
167 |
|
[MAN]D:511 |
4 |
1 |
294 |
f |
[BMA]D:505 |
x,y,z |
1_555 |
4 |
1 |
292 |
23.1 |
0.7 |
0.152 |
0 |
0 |
0 |
0.000 |
168 |
|
[MAN]C:511 |
4 |
1 |
293 |
f |
[BMA]C:505 |
x,y,z |
1_555 |
4 |
1 |
293 |
22.7 |
0.7 |
0.152 |
0 |
0 |
0 |
0.000 |
169 |
|
[MAN]B:510 |
4 |
1 |
296 |
f |
[BMA]B:505 |
x,y,z |
1_555 |
4 |
1 |
289 |
22.1 |
0.7 |
0.163 |
0 |
0 |
0 |
0.000 |
170 |
|
[MAN]A:511 |
4 |
1 |
290 |
f |
[BMA]A:505 |
x,y,z |
1_555 |
4 |
1 |
293 |
21.7 |
0.6 |
0.162 |
0 |
0 |
0 |
0.000 |
| Average: |
22.4 |
0.7 |
0.157 |
0 |
0 |
0 |
0.000 |
| 104 |
171 |
|
[SO4]C:3518 |
2 |
1 |
186 |
◊ |
[MAN]C:508 |
x-y,-y+1,-z+1/3 |
5_565 |
3 |
1 |
292 |
23.1 |
-2.6 |
0.517 |
0 |
0 |
0 |
0.007 |
| 105 |
172 |
|
[SO4]C:3520 |
3 |
1 |
187 |
f |
[SO4]C:3519 |
x,y,z |
1_555 |
4 |
1 |
187 |
22.9 |
-5.1 |
0.995 |
0 |
0 |
0 |
0.028 |
| 106 |
173 |
|
[MAN]D:510 |
3 |
1 |
290 |
◊ |
[MAN]B:512 |
x-1,y,z |
1_455 |
2 |
1 |
291 |
20.5 |
0.6 |
0.281 |
0 |
0 |
0 |
0.000 |
| 107 |
174 |
|
[SO4]A:1520 |
2 |
1 |
185 |
f |
[SO4]A:1519 |
x,y,z |
1_555 |
4 |
1 |
186 |
20.2 |
-4.5 |
0.979 |
0 |
0 |
0 |
0.012 |
| 108 |
175 |
|
C |
1 |
1 |
14827 |
◊ |
[MAN]C:508 |
x-y,-y+1,-z+1/3 |
5_565 |
3 |
1 |
292 |
20.2 |
0.5 |
0.503 |
1 |
0 |
0 |
0.000 |
176 |
|
[MAN]D:508 |
3 |
1 |
292 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
1 |
1 |
15028 |
19.0 |
0.4 |
0.440 |
1 |
0 |
0 |
0.000 |
| Average: |
19.6 |
0.5 |
0.471 |
1 |
0 |
0 |
0.000 |
| 109 |
177 |
|
[MAN]A:510 |
3 |
1 |
293 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
14956 |
18.4 |
0.3 |
0.383 |
0 |
0 |
0 |
0.000 |
| 110 |
178 |
|
[SO4]D:1516 |
4 |
1 |
186 |
◊ |
[SO4]A:1519 |
x,y,z |
1_555 |
3 |
1 |
186 |
18.0 |
-4.0 |
0.995 |
0 |
0 |
0 |
0.011 |
| 111 |
179 |
|
[MAN]D:507 |
3 |
1 |
291 |
◊ |
[MAN]B:511 |
x-1,y,z |
1_455 |
3 |
1 |
289 |
17.0 |
-0.0 |
0.139 |
0 |
0 |
0 |
0.000 |
| 112 |
180 |
|
[SO4]D:4519 |
2 |
1 |
186 |
◊ |
[SO4]C:4516 |
x,y,z |
1_555 |
4 |
1 |
185 |
17.0 |
-3.8 |
0.979 |
0 |
0 |
0 |
0.011 |
| 113 |
181 |
|
[SO4]B:2520 |
2 |
1 |
185 |
f |
[SO4]B:2519 |
x,y,z |
1_555 |
4 |
1 |
186 |
16.8 |
-3.6 |
0.979 |
0 |
0 |
0 |
0.020 |
| 114 |
182 |
|
[SO4]D:4520 |
3 |
1 |
186 |
f |
[SO4]D:4519 |
x,y,z |
1_555 |
4 |
1 |
186 |
16.6 |
-3.7 |
0.995 |
0 |
0 |
0 |
0.010 |
| 115 |
183 |
|
[MAN]D:507 |
3 |
1 |
291 |
f |
[BMA]D:505 |
x,y,z |
1_555 |
2 |
1 |
292 |
16.5 |
0.5 |
0.275 |
0 |
0 |
0 |
0.000 |
184 |
|
[MAN]C:507 |
2 |
1 |
288 |
f |
[BMA]C:505 |
x,y,z |
1_555 |
2 |
1 |
293 |
16.4 |
0.6 |
0.277 |
0 |
0 |
0 |
0.000 |
185 |
|
[MAN]A:507 |
2 |
1 |
289 |
f |
[BMA]A:505 |
x,y,z |
1_555 |
2 |
1 |
293 |
15.6 |
0.6 |
0.280 |
0 |
0 |
0 |
0.000 |
186 |
|
[MAN]B:507 |
2 |
1 |
292 |
f |
[BMA]B:505 |
x,y,z |
1_555 |
2 |
1 |
289 |
15.1 |
0.5 |
0.260 |
0 |
0 |
0 |
0.000 |
| Average: |
15.9 |
0.6 |
0.273 |
0 |
0 |
0 |
0.000 |
| 116 |
187 |
|
[SO4]B:2519 |
2 |
1 |
186 |
f |
[SO4]A:2516 |
x,y,z |
1_555 |
3 |
1 |
186 |
16.5 |
-3.7 |
0.976 |
0 |
0 |
0 |
0.020 |
| 117 |
188 |
|
[SO4]C:3519 |
1 |
1 |
187 |
f |
[SO4]B:3516 |
x,y,z |
1_555 |
4 |
1 |
186 |
14.1 |
-3.1 |
0.894 |
0 |
0 |
0 |
0.017 |
| 118 |
189 |
|
[MAN]C:510 |
2 |
1 |
287 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
15028 |
13.6 |
0.4 |
0.383 |
0 |
0 |
0 |
0.000 |
| 119 |
190 |
|
[NAG]C:501 |
4 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15028 |
13.3 |
0.3 |
0.330 |
0 |
0 |
0 |
0.000 |
| 120 |
191 |
|
C |
2 |
1 |
14827 |
◊ |
[SO4]B:2514 |
x-y,-y+1,-z+1/3 |
5_565 |
2 |
1 |
186 |
12.3 |
-1.4 |
0.862 |
0 |
0 |
0 |
0.007 |
| 121 |
192 |
|
C |
2 |
1 |
14827 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14708 |
11.9 |
-0.4 |
0.276 |
0 |
0 |
0 |
0.002 |
193 |
|
D |
2 |
1 |
14956 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15028 |
10.1 |
-0.3 |
0.306 |
0 |
0 |
0 |
0.002 |
| Average: |
11.0 |
-0.4 |
0.291 |
0 |
0 |
0 |
0.002 |
| 122 |
194 |
|
[MAN]C:506 |
3 |
1 |
292 |
f |
[NAG]C:504 |
x,y,z |
1_555 |
2 |
1 |
358 |
11.7 |
0.5 |
0.185 |
0 |
0 |
0 |
0.000 |
195 |
|
[MAN]A:506 |
2 |
1 |
294 |
f |
[NAG]A:504 |
x,y,z |
1_555 |
3 |
1 |
360 |
10.7 |
0.4 |
0.245 |
0 |
0 |
0 |
0.000 |
196 |
|
[MAN]D:506 |
2 |
1 |
288 |
f |
[NAG]D:504 |
x,y,z |
1_555 |
2 |
1 |
358 |
7.1 |
0.3 |
0.232 |
0 |
0 |
0 |
0.000 |
197 |
|
[MAN]B:506 |
2 |
1 |
291 |
f |
[NAG]B:504 |
x,y,z |
1_555 |
2 |
1 |
358 |
5.9 |
0.2 |
0.233 |
0 |
0 |
0 |
0.000 |
| Average: |
8.9 |
0.3 |
0.224 |
0 |
0 |
0 |
0.000 |
| 123 |
198 |
|
[MAN]D:510 |
1 |
1 |
290 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
14827 |
11.7 |
0.5 |
0.654 |
0 |
0 |
0 |
0.000 |
| 124 |
199 |
|
[MAN]B:510 |
1 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14708 |
11.3 |
0.5 |
0.735 |
0 |
0 |
0 |
0.000 |
| 125 |
200 |
|
[MAN]A:507 |
2 |
1 |
289 |
◊ |
A |
y-1,x,-z |
4_455 |
1 |
1 |
14708 |
9.8 |
0.3 |
0.479 |
0 |
0 |
0 |
0.000 |
| 126 |
201 |
|
[MAN]B:509 |
2 |
1 |
291 |
f |
[NAG]B:504 |
x,y,z |
1_555 |
3 |
1 |
358 |
9.5 |
0.5 |
0.245 |
0 |
0 |
0 |
0.000 |
202 |
|
[MAN]A:509 |
2 |
1 |
287 |
f |
[NAG]A:504 |
x,y,z |
1_555 |
2 |
1 |
360 |
9.1 |
0.5 |
0.232 |
0 |
0 |
0 |
0.000 |
203 |
|
[MAN]D:509 |
2 |
1 |
290 |
f |
[NAG]D:504 |
x,y,z |
1_555 |
2 |
1 |
358 |
5.8 |
0.4 |
0.232 |
0 |
0 |
0 |
0.000 |
204 |
|
[MAN]C:509 |
2 |
1 |
290 |
f |
[NAG]C:504 |
x,y,z |
1_555 |
2 |
1 |
358 |
5.0 |
0.3 |
0.225 |
0 |
0 |
0 |
0.000 |
| Average: |
7.3 |
0.4 |
0.234 |
0 |
0 |
0 |
0.000 |
| 127 |
205 |
|
[MAN]A:511 |
2 |
1 |
290 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
1 |
1 |
363 |
8.8 |
0.0 |
0.194 |
0 |
0 |
0 |
0.000 |
206 |
|
[MAN]C:511 |
2 |
1 |
293 |
f |
[NAG]C:503 |
x,y,z |
1_555 |
1 |
1 |
362 |
8.3 |
-0.0 |
0.194 |
0 |
0 |
0 |
0.000 |
207 |
|
[MAN]D:511 |
2 |
1 |
294 |
f |
[NAG]D:503 |
x,y,z |
1_555 |
1 |
1 |
361 |
7.0 |
0.0 |
0.194 |
0 |
0 |
0 |
0.000 |
208 |
|
[MAN]B:510 |
2 |
1 |
296 |
f |
[NAG]B:503 |
x,y,z |
1_555 |
1 |
1 |
361 |
6.5 |
-0.0 |
0.194 |
0 |
0 |
0 |
0.000 |
| Average: |
7.6 |
-0.0 |
0.194 |
0 |
0 |
0 |
0.000 |
| 128 |
209 |
|
[MAN]B:511 |
1 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14708 |
7.8 |
0.4 |
0.476 |
0 |
0 |
0 |
0.000 |
| 129 |
210 |
|
[MAN]D:511 |
1 |
1 |
294 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14827 |
6.7 |
0.3 |
0.469 |
0 |
0 |
0 |
0.000 |
211 |
|
[MAN]A:511 |
1 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14956 |
6.4 |
0.3 |
0.540 |
0 |
0 |
0 |
0.000 |
212 |
|
[MAN]C:511 |
1 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15028 |
5.3 |
0.2 |
0.379 |
0 |
0 |
0 |
0.000 |
| Average: |
6.1 |
0.3 |
0.463 |
0 |
0 |
0 |
0.000 |
| 130 |
213 |
|
[SO4]C:3517 |
3 |
1 |
185 |
◊ |
[MAN]B:509 |
x-1,y,z |
1_455 |
1 |
1 |
291 |
5.3 |
-0.6 |
0.425 |
0 |
0 |
0 |
0.000 |
| 131 |
214 |
|
[NAG]C:502 |
2 |
1 |
355 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
14827 |
5.0 |
0.1 |
0.292 |
0 |
0 |
0 |
0.000 |
| 132 |
215 |
|
[NAG]C:501 |
1 |
1 |
359 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
1 |
1 |
15028 |
4.6 |
0.1 |
0.328 |
0 |
0 |
0 |
0.000 |
| 133 |
216 |
|
C |
1 |
1 |
14827 |
◊ |
[NAG]B:501 |
x-y,-y+1,-z+1/3 |
5_565 |
1 |
1 |
361 |
1.9 |
0.1 |
0.318 |
0 |
0 |
0 |
0.000 |
| 134 |
217 |
|
[SO4]D:4520 |
1 |
1 |
186 |
f |
[SO4]D:4514 |
x,y,z |
1_555 |
1 |
1 |
188 |
1.7 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.001 |
| 135 |
218 |
|
[SO4]C:3517 |
1 |
1 |
185 |
◊ |
[MAN]B:511 |
x-1,y,z |
1_455 |
1 |
1 |
289 |
1.3 |
-0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
| 136 |
219 |
|
[SO4]B:2520 |
1 |
1 |
185 |
f |
[SO4]B:2514 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.2 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|