## |
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 |
|
C |
638 |
165 |
22992 |
◊ |
A |
x,y,z |
1_555 |
490 |
89 |
10869 |
5443.7 |
-51.5 |
0.243 |
92 |
27 |
0 |
0.557 |
2 |
|
D |
637 |
163 |
22716 |
◊ |
B |
x,y,z |
1_555 |
497 |
88 |
10847 |
5389.9 |
-52.9 |
0.250 |
92 |
28 |
0 |
0.557 |
Average: |
5416.8 |
-52.2 |
0.247 |
92 |
28 |
0 |
0.557 |
2 |
3 |
|
B |
62 |
23 |
10847 |
◊ |
A |
x,y,z |
1_555 |
58 |
22 |
10869 |
573.8 |
-3.7 |
0.740 |
4 |
3 |
0 |
0.000 |
3 |
4 |
|
[HEM]B:605 |
41 |
1 |
842 |
cf |
D |
x,y,z |
1_555 |
57 |
22 |
22716 |
438.2 |
-13.0 |
0.713 |
3 |
0 |
0 |
0.082 |
5 |
|
[HEM]A:605 |
41 |
1 |
843 |
cf |
C |
x,y,z |
1_555 |
57 |
22 |
22992 |
437.9 |
-13.1 |
0.702 |
3 |
0 |
0 |
0.082 |
Average: |
438.1 |
-13.1 |
0.707 |
3 |
0 |
0 |
0.082 |
4 |
6 |
|
D |
35 |
14 |
22716 |
◊ |
C |
x,y,z |
1_555 |
36 |
15 |
22992 |
360.3 |
-6.5 |
0.086 |
3 |
0 |
1 |
0.000 |
5 |
7 |
|
C |
34 |
9 |
22992 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
37 |
9 |
22992 |
357.7 |
-1.5 |
0.504 |
4 |
5 |
0 |
0.000 |
6 |
8 |
|
C |
33 |
11 |
22992 |
x |
C |
-x,y-1/2,-z |
2_545 |
37 |
12 |
22992 |
334.8 |
-1.0 |
0.504 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
C |
35 |
11 |
22992 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
25 |
7 |
10869 |
302.2 |
-1.8 |
0.516 |
4 |
0 |
0 |
0.000 |
8 |
10 |
|
D |
33 |
12 |
22716 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
10869 |
250.7 |
-0.8 |
0.593 |
2 |
0 |
0 |
0.000 |
11 |
|
C |
36 |
12 |
22992 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
10847 |
247.9 |
-0.9 |
0.567 |
2 |
0 |
0 |
0.000 |
Average: |
249.3 |
-0.8 |
0.580 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[HEM]B:605 |
36 |
1 |
842 |
c |
B |
x,y,z |
1_555 |
36 |
12 |
10847 |
237.9 |
-7.1 |
0.918 |
2 |
0 |
0 |
0.046 |
13 |
|
[HEM]A:605 |
35 |
1 |
843 |
c |
A |
x,y,z |
1_555 |
36 |
11 |
10869 |
237.6 |
-7.1 |
0.912 |
2 |
0 |
0 |
0.046 |
Average: |
237.8 |
-7.1 |
0.915 |
2 |
0 |
0 |
0.046 |
10 |
14 |
|
C |
26 |
9 |
22992 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
13 |
3 |
10847 |
196.9 |
2.0 |
0.736 |
4 |
2 |
0 |
0.000 |
11 |
15 |
|
A |
17 |
5 |
10869 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
23 |
5 |
22716 |
192.6 |
0.9 |
0.779 |
2 |
0 |
0 |
0.000 |
12 |
16 |
|
D |
19 |
6 |
22716 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
6 |
10847 |
185.1 |
0.7 |
0.780 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[NAG]C:1620 |
13 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
18 |
8 |
22992 |
178.5 |
4.5 |
0.428 |
2 |
0 |
0 |
0.000 |
18 |
|
[NAG]D:2620 |
12 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
20 |
9 |
22716 |
177.7 |
4.3 |
0.498 |
3 |
0 |
0 |
0.000 |
Average: |
178.1 |
4.4 |
0.463 |
3 |
0 |
0 |
0.000 |
14 |
19 |
|
C |
11 |
4 |
22992 |
◊ |
D |
x,y-1,z-1 |
1_544 |
14 |
4 |
22716 |
132.8 |
2.2 |
0.882 |
3 |
0 |
0 |
0.000 |
15 |
20 |
|
[NAG]D:2630 |
12 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
23 |
9 |
22716 |
132.6 |
2.4 |
0.314 |
1 |
0 |
0 |
0.000 |
21 |
|
[NAG]C:1630 |
13 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
18 |
7 |
22992 |
121.6 |
2.2 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
127.1 |
2.3 |
0.280 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
D |
13 |
5 |
22716 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
22716 |
112.8 |
2.2 |
0.883 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[ACT]C:1606 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
22992 |
110.0 |
-0.7 |
0.488 |
2 |
0 |
0 |
0.009 |
18 |
24 |
|
C |
12 |
5 |
22992 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
12 |
5 |
22716 |
105.5 |
0.9 |
0.736 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[BMA]D:2642 |
9 |
1 |
289 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
22992 |
105.3 |
1.3 |
0.288 |
0 |
0 |
0 |
0.000 |
26 |
|
[BMA]C:1642 |
9 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
22716 |
104.5 |
1.2 |
0.292 |
0 |
0 |
0 |
0.000 |
Average: |
104.9 |
1.2 |
0.290 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[FUC]D:2645 |
8 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
22716 |
102.3 |
2.3 |
0.429 |
0 |
0 |
0 |
0.000 |
28 |
|
[FUC]C:1645 |
8 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
22992 |
99.4 |
2.5 |
0.429 |
0 |
0 |
0 |
0.000 |
Average: |
100.8 |
2.4 |
0.429 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[ACT]D:2606 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
22716 |
101.5 |
-0.4 |
0.662 |
2 |
0 |
0 |
0.007 |
22 |
30 |
|
[NAG]D:2640 |
11 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
22716 |
100.5 |
2.4 |
0.305 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]C:1640 |
11 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
22992 |
83.2 |
2.0 |
0.296 |
0 |
0 |
0 |
0.000 |
Average: |
91.8 |
2.2 |
0.301 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[NAG]C:1641 |
11 |
1 |
365 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
22716 |
98.5 |
1.2 |
0.200 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]D:2641 |
11 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
22992 |
97.4 |
1.1 |
0.195 |
0 |
0 |
0 |
0.000 |
Average: |
98.0 |
1.2 |
0.198 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
C |
11 |
5 |
22992 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
11 |
6 |
22716 |
91.4 |
-0.9 |
0.435 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[MAN]D:2644 |
7 |
1 |
292 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
22992 |
90.9 |
1.1 |
0.266 |
1 |
0 |
0 |
0.000 |
26 |
36 |
|
A |
12 |
3 |
10869 |
◊ |
D |
x,y,z-1 |
1_554 |
11 |
3 |
22716 |
86.8 |
1.2 |
0.837 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[MAN]C:1644 |
7 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
22716 |
83.4 |
0.7 |
0.228 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[ACT]C:1607 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
22992 |
82.2 |
0.9 |
0.839 |
2 |
0 |
0 |
0.000 |
29 |
39 |
|
[BR]B:758 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
22716 |
81.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.072 |
40 |
|
[BR]A:758 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
22992 |
80.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
81.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.072 |
30 |
41 |
|
[ACT]C:1604 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
22992 |
80.6 |
-0.4 |
0.576 |
2 |
0 |
0 |
0.007 |
31 |
42 |
|
[ACT]D:2607 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
22716 |
80.3 |
1.3 |
0.866 |
3 |
0 |
0 |
0.000 |
32 |
43 |
|
C |
5 |
1 |
22992 |
x |
C |
x,y-1,z |
1_545 |
10 |
3 |
22992 |
75.0 |
0.9 |
0.630 |
2 |
0 |
0 |
0.000 |
33 |
44 |
|
[BR]A:889 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
22992 |
73.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.064 |
45 |
|
[BR]B:889 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
22716 |
73.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
73.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.064 |
34 |
46 |
|
[ACT]D:2604 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
22716 |
71.7 |
-0.5 |
0.588 |
1 |
0 |
0 |
0.005 |
35 |
47 |
|
[NAG]C:1641 |
9 |
1 |
365 |
cf |
[NAG]C:1640 |
x,y,z |
1_555 |
6 |
1 |
364 |
71.3 |
1.6 |
0.102 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAG]D:2641 |
8 |
1 |
360 |
cf |
[NAG]D:2640 |
x,y,z |
1_555 |
7 |
1 |
364 |
69.9 |
1.6 |
0.102 |
0 |
0 |
0 |
0.000 |
Average: |
70.6 |
1.6 |
0.102 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[SO4]C:1603 |
4 |
1 |
186 |
f |
C |
x,y-1,z |
1_545 |
10 |
3 |
22992 |
70.6 |
-10.6 |
0.695 |
3 |
0 |
0 |
0.064 |
37 |
50 |
|
[MAN]C:1643 |
5 |
1 |
289 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
22716 |
64.6 |
1.7 |
0.443 |
3 |
0 |
0 |
0.000 |
38 |
51 |
|
C |
10 |
5 |
22992 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
4 |
22716 |
64.2 |
1.6 |
0.845 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[MAN]C:1644 |
6 |
1 |
290 |
cf |
[BMA]C:1642 |
x,y,z |
1_555 |
6 |
1 |
291 |
60.5 |
2.6 |
0.213 |
0 |
0 |
0 |
0.000 |
53 |
|
[MAN]D:2644 |
6 |
1 |
292 |
cf |
[BMA]D:2642 |
x,y,z |
1_555 |
6 |
1 |
289 |
59.2 |
2.4 |
0.211 |
0 |
0 |
0 |
0.000 |
Average: |
59.9 |
2.5 |
0.212 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
[MAN]D:2643 |
6 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
22992 |
58.9 |
1.6 |
0.359 |
3 |
0 |
0 |
0.000 |
41 |
55 |
|
[FUC]D:2645 |
5 |
1 |
281 |
cf |
[NAG]D:2640 |
x,y,z |
1_555 |
6 |
1 |
364 |
57.2 |
2.3 |
0.240 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
[BMA]C:1642 |
6 |
1 |
291 |
cf |
[NAG]C:1641 |
x,y,z |
1_555 |
5 |
1 |
365 |
57.0 |
1.1 |
0.126 |
0 |
0 |
0 |
0.000 |
57 |
|
[BMA]D:2642 |
6 |
1 |
289 |
cf |
[NAG]D:2641 |
x,y,z |
1_555 |
5 |
1 |
360 |
56.1 |
1.1 |
0.126 |
0 |
0 |
0 |
0.000 |
Average: |
56.6 |
1.1 |
0.126 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
[FUC]C:1645 |
5 |
1 |
281 |
cf |
[NAG]C:1640 |
x,y,z |
1_555 |
6 |
1 |
364 |
56.3 |
2.2 |
0.249 |
0 |
0 |
0 |
0.000 |
44 |
59 |
|
[MAN]C:1643 |
5 |
1 |
289 |
cf |
[BMA]C:1642 |
x,y,z |
1_555 |
6 |
1 |
291 |
53.8 |
2.3 |
0.227 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
[SO4]B:2602 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
22716 |
53.3 |
-6.4 |
0.854 |
1 |
0 |
0 |
0.039 |
46 |
61 |
|
[MAN]D:2643 |
6 |
1 |
291 |
cf |
[BMA]D:2642 |
x,y,z |
1_555 |
6 |
1 |
289 |
52.7 |
2.2 |
0.212 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
[BR]A:601 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
22992 |
51.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.043 |
63 |
|
[BR]B:601 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
22716 |
50.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
51.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.043 |
48 |
64 |
|
[BR]B:601 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
10847 |
51.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.033 |
65 |
|
[BR]A:601 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
10869 |
50.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
51.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.033 |
49 |
66 |
|
[SO4]A:1602 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
22992 |
49.9 |
-5.9 |
0.867 |
1 |
0 |
0 |
0.034 |
50 |
67 |
|
[BR]A:843 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
22992 |
47.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.036 |
68 |
|
[BR]B:843 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
22716 |
47.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
47.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.036 |
51 |
69 |
|
[NAG]D:2640 |
6 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
22992 |
45.7 |
-0.2 |
0.150 |
0 |
0 |
0 |
0.000 |
70 |
|
[NAG]C:1640 |
6 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
22716 |
42.9 |
-0.2 |
0.160 |
0 |
0 |
0 |
0.000 |
Average: |
44.3 |
-0.2 |
0.155 |
0 |
0 |
0 |
0.000 |
52 |
71 |
|
[MAN]D:2644 |
2 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
12 |
1 |
10869 |
45.7 |
0.9 |
0.692 |
0 |
0 |
0 |
0.000 |
53 |
72 |
|
[SO4]C:1603 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
22992 |
44.2 |
-4.0 |
0.964 |
2 |
0 |
0 |
0.000 |
54 |
73 |
|
[SO4]A:1602 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
10869 |
43.5 |
-4.7 |
0.833 |
1 |
0 |
0 |
0.028 |
55 |
74 |
|
[SO4]B:2602 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
10847 |
39.7 |
-4.6 |
0.781 |
1 |
0 |
0 |
0.029 |
56 |
75 |
|
C |
6 |
1 |
22992 |
◊ |
[NAG]C:1640 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
364 |
37.7 |
1.7 |
0.846 |
0 |
0 |
0 |
0.000 |
57 |
76 |
|
[FUC]D:2645 |
3 |
1 |
281 |
f |
[NAG]D:2641 |
x,y,z |
1_555 |
6 |
1 |
360 |
37.5 |
1.9 |
0.258 |
0 |
0 |
0 |
0.000 |
77 |
|
[FUC]C:1645 |
3 |
1 |
281 |
f |
[NAG]C:1641 |
x,y,z |
1_555 |
6 |
1 |
365 |
35.1 |
1.8 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
36.3 |
1.8 |
0.258 |
0 |
0 |
0 |
0.000 |
58 |
78 |
|
[MAN]C:1644 |
3 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
10 |
1 |
10847 |
36.7 |
1.0 |
0.612 |
0 |
0 |
0 |
0.000 |
59 |
79 |
|
[FUC]C:1645 |
5 |
1 |
281 |
◊ |
[MAN]D:2644 |
x,y,z |
1_555 |
3 |
1 |
292 |
35.5 |
0.6 |
0.146 |
0 |
0 |
0 |
0.000 |
60 |
80 |
|
[FUC]D:2645 |
6 |
1 |
281 |
◊ |
[MAN]C:1644 |
x,y,z |
1_555 |
3 |
1 |
290 |
35.0 |
0.5 |
0.165 |
0 |
0 |
0 |
0.000 |
61 |
81 |
|
[BR]B:843 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10847 |
33.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.021 |
82 |
|
[BR]A:843 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10869 |
33.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
33.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.021 |
62 |
83 |
|
[HEM]A:605 |
16 |
1 |
843 |
f |
[BR]A:843 |
x,y,z |
1_555 |
1 |
1 |
133 |
33.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.025 |
84 |
|
[HEM]B:605 |
15 |
1 |
842 |
f |
[BR]B:843 |
x,y,z |
1_555 |
1 |
1 |
133 |
33.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
33.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.025 |
63 |
85 |
|
[NAG]C:1641 |
3 |
1 |
365 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
10847 |
31.9 |
0.4 |
0.441 |
0 |
0 |
0 |
0.000 |
86 |
|
[NAG]D:2641 |
3 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10869 |
31.1 |
0.4 |
0.336 |
0 |
0 |
0 |
0.000 |
Average: |
31.5 |
0.4 |
0.388 |
0 |
0 |
0 |
0.000 |
64 |
87 |
|
[CA]B:600 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
22716 |
31.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.046 |
88 |
|
[CA]A:600 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
22992 |
31.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
31.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.046 |
65 |
89 |
|
[NAG]C:1641 |
3 |
1 |
365 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
22992 |
30.8 |
0.9 |
0.528 |
0 |
0 |
0 |
0.000 |
90 |
|
[NAG]D:2641 |
3 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
22716 |
30.8 |
0.9 |
0.473 |
0 |
0 |
0 |
0.000 |
Average: |
30.8 |
0.9 |
0.500 |
0 |
0 |
0 |
0.000 |
66 |
91 |
|
[MAN]C:1644 |
4 |
1 |
290 |
f |
[NAG]C:1641 |
x,y,z |
1_555 |
3 |
1 |
365 |
29.2 |
0.8 |
0.226 |
0 |
0 |
0 |
0.000 |
67 |
92 |
|
[MAN]D:2644 |
4 |
1 |
292 |
f |
[NAG]D:2641 |
x,y,z |
1_555 |
3 |
1 |
360 |
27.8 |
0.8 |
0.222 |
0 |
0 |
0 |
0.000 |
68 |
93 |
|
[CA]B:600 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10847 |
26.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.025 |
94 |
|
[CA]A:600 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10869 |
25.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
25.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.025 |
69 |
95 |
|
D |
2 |
2 |
22716 |
x |
D |
x,y-1,z |
1_545 |
1 |
1 |
22716 |
19.1 |
0.4 |
0.457 |
0 |
0 |
0 |
0.000 |
70 |
96 |
|
[SO4]A:1602 |
2 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
10847 |
15.1 |
-2.0 |
0.613 |
0 |
0 |
0 |
0.000 |
71 |
97 |
|
A |
2 |
2 |
10869 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10847 |
14.0 |
0.7 |
0.879 |
0 |
0 |
0 |
0.000 |
72 |
98 |
|
[ACT]C:1606 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10869 |
13.5 |
-0.3 |
0.649 |
0 |
0 |
0 |
0.002 |
73 |
99 |
|
C |
4 |
2 |
22992 |
◊ |
[ACT]C:1604 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
184 |
12.8 |
0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
74 |
100 |
|
[BR]A:758 |
1 |
1 |
133 |
◊ |
D |
x,y-1,z-1 |
1_544 |
1 |
1 |
22716 |
9.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
101 |
|
C |
1 |
1 |
22992 |
◊ |
[BR]B:758 |
x,y-1,z-1 |
1_544 |
1 |
1 |
133 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
6.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
102 |
|
[MAN]D:2644 |
1 |
1 |
292 |
◊ |
[MAN]C:1644 |
x,y,z |
1_555 |
1 |
1 |
290 |
8.2 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
76 |
103 |
|
[MAN]C:1644 |
1 |
1 |
290 |
◊ |
[NAG]D:2640 |
x,y,z |
1_555 |
1 |
1 |
364 |
2.1 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
77 |
104 |
|
[ACT]D:2606 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10847 |
2.1 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
78 |
105 |
|
[MAN]D:2644 |
1 |
1 |
292 |
◊ |
[NAG]C:1640 |
x,y,z |
1_555 |
1 |
1 |
364 |
2.1 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|