## |
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 |
|
B |
101 |
36 |
29252 |
◊ |
A |
x,y,z |
1_555 |
94 |
28 |
29051 |
928.1 |
-9.4 |
0.329 |
8 |
2 |
0 |
0.017 |
2 |
2 |
|
C |
91 |
28 |
28836 |
◊ |
A |
x,y,z |
1_555 |
87 |
30 |
29051 |
836.4 |
-7.4 |
0.439 |
8 |
2 |
0 |
0.014 |
3 |
3 |
|
C |
75 |
28 |
28836 |
◊ |
B |
x,y,z |
1_555 |
85 |
25 |
29252 |
781.9 |
-7.9 |
0.345 |
7 |
2 |
0 |
0.014 |
4 |
4 |
|
B |
86 |
41 |
29252 |
◊ |
B |
-x,-y,z |
2_555 |
87 |
41 |
29252 |
716.7 |
3.2 |
0.958 |
8 |
2 |
0 |
0.000 |
5 |
5 |
|
[HEC]C:803 |
43 |
1 |
843 |
cf |
C |
x,y,z |
1_555 |
86 |
30 |
28836 |
554.5 |
-21.8 |
0.221 |
4 |
0 |
0 |
0.030 |
6 |
6 |
|
[HEC]C:801 |
43 |
1 |
827 |
c |
C |
x,y,z |
1_555 |
67 |
26 |
28836 |
553.3 |
-20.6 |
0.158 |
0 |
0 |
0 |
0.076 |
7 |
|
[HEC]B:801 |
42 |
1 |
824 |
c |
B |
x,y,z |
1_555 |
65 |
26 |
29252 |
547.0 |
-19.6 |
0.157 |
1 |
0 |
0 |
0.076 |
8 |
|
[HEC]A:801 |
42 |
1 |
811 |
c |
A |
x,y,z |
1_555 |
64 |
27 |
29051 |
541.8 |
-20.1 |
0.141 |
0 |
0 |
0 |
0.076 |
Average: |
547.4 |
-20.1 |
0.152 |
0 |
0 |
0 |
0.076 |
7 |
9 |
|
[HEC]A:803 |
43 |
1 |
843 |
cf |
A |
x,y,z |
1_555 |
83 |
28 |
29051 |
547.7 |
-21.8 |
0.207 |
5 |
0 |
0 |
0.058 |
10 |
|
[HEC]B:803 |
43 |
1 |
845 |
cf |
B |
x,y,z |
1_555 |
88 |
29 |
29252 |
547.2 |
-20.6 |
0.320 |
4 |
0 |
0 |
0.058 |
Average: |
547.4 |
-21.2 |
0.263 |
5 |
0 |
0 |
0.058 |
8 |
11 |
|
[HEC]A:802 |
42 |
1 |
835 |
cf |
A |
x,y,z |
1_555 |
63 |
20 |
29051 |
545.0 |
-17.2 |
0.422 |
2 |
0 |
0 |
0.048 |
12 |
|
[HEC]B:802 |
42 |
1 |
823 |
cf |
B |
x,y,z |
1_555 |
62 |
21 |
29252 |
543.5 |
-19.6 |
0.190 |
1 |
0 |
0 |
0.048 |
Average: |
544.3 |
-18.4 |
0.306 |
2 |
0 |
0 |
0.048 |
9 |
13 |
|
[HEC]A:808 |
43 |
1 |
821 |
cf |
A |
x,y,z |
1_555 |
83 |
29 |
29051 |
544.5 |
-20.2 |
0.308 |
5 |
0 |
0 |
0.056 |
14 |
|
[HEC]B:808 |
43 |
1 |
823 |
cf |
B |
x,y,z |
1_555 |
83 |
29 |
29252 |
543.6 |
-20.3 |
0.297 |
5 |
0 |
0 |
0.056 |
Average: |
544.0 |
-20.3 |
0.302 |
5 |
0 |
0 |
0.056 |
10 |
15 |
|
[HEC]C:808 |
43 |
1 |
818 |
cf |
C |
x,y,z |
1_555 |
86 |
30 |
28836 |
540.0 |
-20.4 |
0.280 |
5 |
0 |
0 |
0.028 |
11 |
16 |
|
[HEC]C:802 |
43 |
1 |
825 |
cf |
C |
x,y,z |
1_555 |
59 |
18 |
28836 |
528.9 |
-17.2 |
0.282 |
1 |
0 |
0 |
0.022 |
12 |
17 |
|
[HEC]B:807 |
41 |
1 |
802 |
cf |
B |
x,y,z |
1_555 |
61 |
23 |
29252 |
503.1 |
-17.7 |
0.213 |
2 |
0 |
0 |
0.069 |
18 |
|
[HEC]A:807 |
41 |
1 |
803 |
cf |
A |
x,y,z |
1_555 |
61 |
24 |
29051 |
502.1 |
-17.8 |
0.199 |
2 |
0 |
0 |
0.069 |
19 |
|
[HEC]C:807 |
41 |
1 |
806 |
cf |
C |
x,y,z |
1_555 |
61 |
23 |
28836 |
501.3 |
-17.1 |
0.293 |
2 |
0 |
0 |
0.069 |
Average: |
502.2 |
-17.6 |
0.235 |
2 |
0 |
0 |
0.069 |
13 |
20 |
|
[HEC]A:806 |
43 |
1 |
803 |
c |
A |
x,y,z |
1_555 |
59 |
22 |
29051 |
470.2 |
-16.6 |
0.222 |
1 |
0 |
0 |
0.063 |
21 |
|
[HEC]B:806 |
42 |
1 |
786 |
c |
B |
x,y,z |
1_555 |
61 |
25 |
29252 |
467.7 |
-16.5 |
0.209 |
1 |
0 |
0 |
0.063 |
22 |
|
[HEC]C:806 |
42 |
1 |
786 |
c |
C |
x,y,z |
1_555 |
61 |
25 |
28836 |
462.7 |
-16.1 |
0.240 |
1 |
0 |
0 |
0.063 |
Average: |
466.9 |
-16.4 |
0.224 |
1 |
0 |
0 |
0.063 |
14 |
23 |
|
[HEC]A:810 |
42 |
1 |
817 |
cf |
A |
x,y,z |
1_555 |
54 |
19 |
29051 |
465.4 |
-17.6 |
0.080 |
0 |
0 |
0 |
0.043 |
24 |
|
[HEC]B:810 |
41 |
1 |
810 |
cf |
B |
x,y,z |
1_555 |
49 |
16 |
29252 |
461.7 |
-16.7 |
0.112 |
0 |
0 |
0 |
0.043 |
Average: |
463.5 |
-17.1 |
0.096 |
0 |
0 |
0 |
0.043 |
15 |
25 |
|
[HEC]A:805 |
41 |
1 |
850 |
cf |
A |
x,y,z |
1_555 |
53 |
20 |
29051 |
447.0 |
-14.5 |
0.324 |
0 |
0 |
0 |
0.018 |
16 |
26 |
|
[HEC]C:810 |
41 |
1 |
810 |
cf |
C |
x,y,z |
1_555 |
48 |
16 |
28836 |
446.2 |
-17.0 |
0.079 |
0 |
0 |
0 |
0.021 |
17 |
27 |
|
[HEC]A:804 |
41 |
1 |
817 |
cf |
A |
x,y,z |
1_555 |
59 |
20 |
29051 |
445.0 |
-15.4 |
0.231 |
0 |
0 |
0 |
0.019 |
18 |
28 |
|
[HEC]C:805 |
41 |
1 |
839 |
cf |
C |
x,y,z |
1_555 |
52 |
19 |
28836 |
443.0 |
-14.1 |
0.297 |
1 |
0 |
0 |
0.018 |
19 |
29 |
|
[HEC]B:805 |
40 |
1 |
823 |
cf |
B |
x,y,z |
1_555 |
49 |
19 |
29252 |
424.3 |
-14.4 |
0.303 |
0 |
0 |
0 |
0.018 |
20 |
30 |
|
[HEC]C:804 |
38 |
1 |
820 |
cf |
C |
x,y,z |
1_555 |
58 |
20 |
28836 |
423.1 |
-14.7 |
0.213 |
0 |
0 |
0 |
0.034 |
31 |
|
[HEC]B:804 |
37 |
1 |
801 |
cf |
B |
x,y,z |
1_555 |
54 |
19 |
29252 |
399.7 |
-12.3 |
0.269 |
0 |
0 |
0 |
0.034 |
Average: |
411.4 |
-13.5 |
0.241 |
0 |
0 |
0 |
0.034 |
21 |
32 |
|
[HEC]A:809 |
38 |
1 |
807 |
cf |
A |
x,y,z |
1_555 |
53 |
20 |
29051 |
398.3 |
-14.7 |
0.067 |
0 |
0 |
0 |
0.035 |
33 |
|
[HEC]B:809 |
38 |
1 |
801 |
cf |
B |
x,y,z |
1_555 |
52 |
21 |
29252 |
393.3 |
-13.6 |
0.115 |
0 |
0 |
0 |
0.035 |
Average: |
395.8 |
-14.1 |
0.091 |
0 |
0 |
0 |
0.035 |
22 |
34 |
|
[HEC]C:809 |
37 |
1 |
804 |
cf |
C |
x,y,z |
1_555 |
48 |
19 |
28836 |
395.6 |
-14.5 |
0.061 |
0 |
0 |
0 |
0.018 |
23 |
35 |
|
B |
40 |
13 |
29252 |
◊ |
A |
x,y,z-1 |
1_554 |
36 |
18 |
29051 |
304.1 |
-3.8 |
0.402 |
2 |
0 |
0 |
0.001 |
24 |
36 |
|
B |
28 |
12 |
29252 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
15 |
29051 |
263.9 |
-1.2 |
0.570 |
2 |
1 |
0 |
0.000 |
25 |
37 |
|
B |
26 |
10 |
29252 |
◊ |
C |
x-1,y,z |
1_455 |
24 |
11 |
28836 |
224.7 |
-1.5 |
0.380 |
0 |
1 |
0 |
0.000 |
26 |
38 |
|
A |
27 |
10 |
29051 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
5 |
28836 |
214.4 |
-2.0 |
0.418 |
1 |
1 |
0 |
0.000 |
27 |
39 |
|
[HEC]B:805 |
10 |
1 |
823 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
8 |
29051 |
165.4 |
-6.2 |
0.355 |
2 |
0 |
0 |
0.002 |
28 |
40 |
|
A |
20 |
7 |
29051 |
x |
A |
x-1,y,z |
1_455 |
14 |
5 |
29051 |
159.8 |
-0.3 |
0.644 |
2 |
0 |
0 |
0.000 |
29 |
41 |
|
[HEC]A:805 |
22 |
1 |
850 |
f |
[HEC]A:804 |
x,y,z |
1_555 |
21 |
1 |
817 |
151.7 |
-7.1 |
0.993 |
0 |
0 |
0 |
0.048 |
42 |
|
[HEC]C:805 |
24 |
1 |
839 |
f |
[HEC]C:804 |
x,y,z |
1_555 |
21 |
1 |
820 |
149.3 |
-7.0 |
0.991 |
0 |
0 |
0 |
0.048 |
43 |
|
[HEC]C:810 |
23 |
1 |
810 |
f |
[HEC]C:809 |
x,y,z |
1_555 |
22 |
1 |
804 |
143.9 |
-7.0 |
0.994 |
0 |
0 |
0 |
0.048 |
44 |
|
[HEC]A:810 |
23 |
1 |
817 |
f |
[HEC]A:809 |
x,y,z |
1_555 |
22 |
1 |
807 |
141.3 |
-6.9 |
0.994 |
0 |
0 |
0 |
0.048 |
45 |
|
[HEC]B:805 |
22 |
1 |
823 |
f |
[HEC]B:804 |
x,y,z |
1_555 |
20 |
1 |
801 |
130.2 |
-4.7 |
0.999 |
0 |
0 |
0 |
0.048 |
46 |
|
[HEC]B:810 |
21 |
1 |
810 |
f |
[HEC]B:809 |
x,y,z |
1_555 |
19 |
1 |
801 |
129.3 |
-5.8 |
0.988 |
0 |
0 |
0 |
0.048 |
Average: |
140.9 |
-6.4 |
0.993 |
0 |
0 |
0 |
0.048 |
30 |
47 |
|
[HEC]C:810 |
14 |
1 |
810 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
29252 |
123.0 |
-3.6 |
0.645 |
0 |
0 |
0 |
0.011 |
48 |
|
[HEC]B:810 |
13 |
1 |
810 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
29051 |
105.3 |
-4.0 |
0.550 |
2 |
0 |
0 |
0.011 |
Average: |
114.2 |
-3.8 |
0.597 |
1 |
0 |
0 |
0.011 |
31 |
49 |
|
[HEC]A:804 |
20 |
1 |
817 |
f |
[HEC]A:803 |
x,y,z |
1_555 |
18 |
1 |
843 |
119.3 |
-4.1 |
0.998 |
0 |
0 |
0 |
0.010 |
50 |
|
[HEC]C:804 |
14 |
1 |
820 |
f |
[HEC]C:803 |
x,y,z |
1_555 |
16 |
1 |
843 |
115.4 |
-3.8 |
0.989 |
0 |
0 |
0 |
0.010 |
Average: |
117.3 |
-4.0 |
0.993 |
0 |
0 |
0 |
0.010 |
32 |
51 |
|
[HEC]A:810 |
14 |
1 |
817 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
28836 |
118.9 |
-3.6 |
0.605 |
0 |
0 |
0 |
0.005 |
33 |
52 |
|
A |
14 |
6 |
29051 |
◊ |
[HEC]C:805 |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
1 |
839 |
116.3 |
-3.8 |
0.539 |
0 |
0 |
0 |
0.000 |
34 |
53 |
|
[HEC]B:804 |
18 |
1 |
801 |
f |
[HEC]B:803 |
x,y,z |
1_555 |
16 |
1 |
845 |
113.7 |
-3.8 |
0.995 |
0 |
0 |
0 |
0.005 |
35 |
54 |
|
[HEC]B:809 |
18 |
1 |
801 |
f |
[HEC]B:808 |
x,y,z |
1_555 |
16 |
1 |
823 |
110.8 |
-3.7 |
0.996 |
0 |
0 |
0 |
0.014 |
55 |
|
[HEC]A:809 |
19 |
1 |
807 |
f |
[HEC]A:808 |
x,y,z |
1_555 |
17 |
1 |
821 |
109.4 |
-3.7 |
0.998 |
0 |
0 |
0 |
0.014 |
56 |
|
[HEC]C:809 |
18 |
1 |
804 |
f |
[HEC]C:808 |
x,y,z |
1_555 |
15 |
1 |
818 |
107.8 |
-3.6 |
0.995 |
0 |
0 |
0 |
0.014 |
Average: |
109.4 |
-3.7 |
0.996 |
0 |
0 |
0 |
0.014 |
36 |
57 |
|
[HEC]A:807 |
12 |
1 |
803 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
29252 |
105.6 |
-3.7 |
0.620 |
2 |
0 |
0 |
0.018 |
58 |
|
[HEC]C:807 |
13 |
1 |
806 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
29051 |
104.5 |
-3.8 |
0.650 |
2 |
0 |
0 |
0.018 |
59 |
|
[HEC]B:807 |
12 |
1 |
802 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
28836 |
102.2 |
-3.6 |
0.645 |
3 |
0 |
0 |
0.018 |
Average: |
104.1 |
-3.7 |
0.638 |
2 |
0 |
0 |
0.018 |
37 |
60 |
|
[EDO]A:814 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29051 |
86.8 |
3.2 |
0.576 |
2 |
0 |
0 |
0.000 |
38 |
61 |
|
[HEC]A:806 |
11 |
1 |
803 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
29252 |
83.8 |
-1.9 |
0.725 |
0 |
0 |
0 |
0.009 |
62 |
|
[HEC]C:806 |
9 |
1 |
786 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
29051 |
81.6 |
-2.5 |
0.605 |
1 |
0 |
0 |
0.009 |
63 |
|
[HEC]B:806 |
8 |
1 |
786 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
28836 |
81.1 |
-2.4 |
0.572 |
0 |
0 |
0 |
0.009 |
Average: |
82.2 |
-2.3 |
0.634 |
0 |
0 |
0 |
0.009 |
39 |
64 |
|
[EDO]A:813 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
29051 |
82.1 |
2.3 |
0.315 |
4 |
0 |
0 |
0.000 |
40 |
65 |
|
[HEC]A:807 |
10 |
1 |
803 |
◊ |
[HEC]A:806 |
x,y,z |
1_555 |
9 |
1 |
803 |
81.0 |
-2.7 |
0.941 |
0 |
0 |
0 |
0.009 |
66 |
|
[HEC]B:807 |
10 |
1 |
802 |
◊ |
[HEC]B:806 |
x,y,z |
1_555 |
9 |
1 |
786 |
78.1 |
-2.4 |
0.953 |
0 |
0 |
0 |
0.009 |
67 |
|
[HEC]C:807 |
10 |
1 |
806 |
◊ |
[HEC]C:806 |
x,y,z |
1_555 |
8 |
1 |
786 |
78.0 |
-2.4 |
0.940 |
0 |
0 |
0 |
0.009 |
Average: |
79.1 |
-2.5 |
0.945 |
0 |
0 |
0 |
0.009 |
41 |
68 |
|
[HEC]B:804 |
10 |
1 |
801 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
28836 |
78.5 |
-3.6 |
0.170 |
1 |
0 |
0 |
0.005 |
42 |
69 |
|
[HEC]C:803 |
4 |
1 |
843 |
◊ |
[HEC]C:801 |
x,y,z |
1_555 |
15 |
1 |
827 |
71.7 |
-2.5 |
0.785 |
0 |
0 |
0 |
0.017 |
70 |
|
[HEC]B:803 |
5 |
1 |
845 |
◊ |
[HEC]B:801 |
x,y,z |
1_555 |
15 |
1 |
824 |
70.9 |
-2.5 |
0.854 |
0 |
0 |
0 |
0.017 |
71 |
|
[HEC]A:803 |
5 |
1 |
843 |
◊ |
[HEC]A:801 |
x,y,z |
1_555 |
15 |
1 |
811 |
70.5 |
-2.5 |
0.862 |
0 |
0 |
0 |
0.017 |
72 |
|
[HEC]C:808 |
4 |
1 |
818 |
◊ |
[HEC]C:806 |
x,y,z |
1_555 |
14 |
1 |
786 |
58.6 |
-2.1 |
0.791 |
0 |
0 |
0 |
0.017 |
73 |
|
[HEC]B:808 |
4 |
1 |
823 |
◊ |
[HEC]B:806 |
x,y,z |
1_555 |
13 |
1 |
786 |
57.4 |
-2.1 |
0.806 |
0 |
0 |
0 |
0.017 |
74 |
|
[HEC]A:808 |
4 |
1 |
821 |
◊ |
[HEC]A:806 |
x,y,z |
1_555 |
11 |
1 |
803 |
56.2 |
-2.1 |
0.802 |
0 |
0 |
0 |
0.017 |
Average: |
64.2 |
-2.3 |
0.817 |
0 |
0 |
0 |
0.017 |
43 |
75 |
|
[HEC]A:802 |
4 |
1 |
835 |
◊ |
[HEC]A:801 |
x,y,z |
1_555 |
5 |
1 |
811 |
67.0 |
-2.1 |
0.709 |
0 |
0 |
0 |
0.005 |
76 |
|
[HEC]B:802 |
4 |
1 |
823 |
◊ |
[HEC]B:801 |
x,y,z |
1_555 |
6 |
1 |
824 |
67.0 |
-2.2 |
0.745 |
0 |
0 |
0 |
0.005 |
Average: |
67.0 |
-2.2 |
0.727 |
0 |
0 |
0 |
0.005 |
44 |
77 |
|
[HEC]C:802 |
3 |
1 |
825 |
◊ |
[HEC]C:801 |
x,y,z |
1_555 |
6 |
1 |
827 |
63.4 |
-2.2 |
0.668 |
0 |
0 |
0 |
0.003 |
45 |
78 |
|
[CA]B:812 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
29252 |
50.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.031 |
79 |
|
[CA]C:812 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
28836 |
49.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
50.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.031 |
46 |
80 |
|
[HEC]C:804 |
5 |
1 |
820 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
29051 |
47.4 |
-1.2 |
0.477 |
0 |
0 |
0 |
0.002 |
47 |
81 |
|
[CA]C:813 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
28836 |
45.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.032 |
82 |
|
[CA]A:812 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
29051 |
45.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.032 |
83 |
|
[CA]B:813 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
29252 |
39.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
43.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.032 |
48 |
84 |
|
[HEC]B:804 |
5 |
1 |
801 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
3 |
29051 |
44.7 |
-1.6 |
0.626 |
0 |
0 |
0 |
0.000 |
49 |
85 |
|
[CA]A:811 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
29051 |
43.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.046 |
86 |
|
[CA]B:811 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
29252 |
42.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.046 |
87 |
|
[CA]C:811 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
28836 |
42.1 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
42.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.046 |
50 |
88 |
|
[HEC]A:802 |
4 |
1 |
835 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
29252 |
38.0 |
-2.2 |
0.472 |
0 |
0 |
0 |
0.003 |
51 |
89 |
|
C |
5 |
2 |
28836 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
28836 |
33.4 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
52 |
90 |
|
[EDO]A:814 |
2 |
1 |
185 |
f |
[HEC]A:805 |
x,y,z |
1_555 |
6 |
1 |
850 |
31.9 |
-0.5 |
0.945 |
0 |
0 |
0 |
0.000 |
53 |
91 |
|
[HEC]B:806 |
2 |
1 |
786 |
f |
[HEC]B:801 |
x,y,z |
1_555 |
3 |
1 |
824 |
31.5 |
-1.0 |
0.634 |
0 |
0 |
0 |
0.002 |
92 |
|
[HEC]A:806 |
3 |
1 |
803 |
f |
[HEC]A:801 |
x,y,z |
1_555 |
2 |
1 |
811 |
24.7 |
-0.9 |
0.660 |
0 |
0 |
0 |
0.002 |
Average: |
28.1 |
-0.9 |
0.647 |
0 |
0 |
0 |
0.002 |
54 |
93 |
|
[HEC]C:806 |
3 |
1 |
786 |
f |
[HEC]C:801 |
x,y,z |
1_555 |
2 |
1 |
827 |
30.2 |
-1.0 |
0.638 |
0 |
0 |
0 |
0.001 |
55 |
94 |
|
[HEC]B:810 |
3 |
1 |
810 |
f |
[HEC]A:806 |
x,y,z |
1_555 |
4 |
1 |
803 |
21.3 |
-1.8 |
0.619 |
0 |
0 |
0 |
0.004 |
95 |
|
[HEC]C:810 |
1 |
1 |
810 |
f |
[HEC]B:806 |
x,y,z |
1_555 |
2 |
1 |
786 |
10.8 |
-0.8 |
0.429 |
0 |
0 |
0 |
0.004 |
96 |
|
[HEC]C:806 |
2 |
1 |
786 |
f |
[HEC]A:810 |
x,y,z |
1_555 |
1 |
1 |
817 |
8.6 |
-0.6 |
0.436 |
0 |
0 |
0 |
0.004 |
Average: |
13.6 |
-1.1 |
0.495 |
0 |
0 |
0 |
0.004 |
56 |
97 |
|
C |
2 |
1 |
28836 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
29051 |
11.9 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
57 |
98 |
|
[CA]B:813 |
1 |
1 |
85 |
◊ |
B |
-x,-y,z |
2_555 |
3 |
1 |
29252 |
10.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
99 |
|
B |
3 |
3 |
29252 |
◊ |
B |
-x+1,-y,z |
2_655 |
3 |
3 |
29252 |
6.7 |
-0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
59 |
100 |
|
C |
2 |
1 |
28836 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
28836 |
5.2 |
0.2 |
0.808 |
0 |
0 |
0 |
0.000 |
60 |
101 |
|
[CA]C:811 |
1 |
1 |
85 |
f |
[HEC]C:807 |
x,y,z |
1_555 |
2 |
1 |
806 |
4.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
102 |
|
[CA]B:811 |
1 |
1 |
85 |
f |
[HEC]B:807 |
x,y,z |
1_555 |
2 |
1 |
802 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
103 |
|
[CA]A:811 |
1 |
1 |
85 |
f |
[HEC]A:807 |
x,y,z |
1_555 |
2 |
1 |
803 |
3.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
4.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
61 |
104 |
|
[EDO]A:813 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
29252 |
3.4 |
0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
62 |
105 |
|
[EDO]A:814 |
1 |
1 |
185 |
f |
[HEC]A:804 |
x,y,z |
1_555 |
1 |
1 |
817 |
2.1 |
-0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
|