## |
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 |
|
O |
186 |
49 |
18671 |
◊ |
N |
x,y,z |
1_555 |
217 |
61 |
19966 |
1967.9 |
-18.4 |
0.161 |
26 |
8 |
0 |
0.470 |
2 |
|
B |
194 |
52 |
18615 |
◊ |
A |
x,y,z |
1_555 |
217 |
62 |
20116 |
1962.2 |
-18.2 |
0.163 |
25 |
8 |
0 |
0.470 |
Average: |
1965.0 |
-18.3 |
0.162 |
26 |
8 |
0 |
0.470 |
2 |
3 |
|
V |
147 |
34 |
4414 |
◊ |
O |
x,y,z |
1_555 |
203 |
66 |
18671 |
1698.9 |
-19.2 |
0.380 |
17 |
0 |
0 |
1.000 |
4 |
|
I |
153 |
36 |
4544 |
◊ |
B |
x,y,z |
1_555 |
204 |
65 |
18615 |
1676.5 |
-19.1 |
0.333 |
15 |
0 |
0 |
1.000 |
Average: |
1687.7 |
-19.1 |
0.356 |
16 |
0 |
0 |
1.000 |
3 |
5 |
|
D |
152 |
40 |
15683 |
◊ |
C |
x,y,z |
1_555 |
148 |
40 |
19661 |
1481.0 |
-19.8 |
0.551 |
12 |
4 |
0 |
0.193 |
6 |
|
Q |
143 |
39 |
15563 |
◊ |
P |
x,y,z |
1_555 |
146 |
39 |
19536 |
1433.1 |
-20.7 |
0.460 |
13 |
4 |
0 |
0.193 |
Average: |
1457.1 |
-20.3 |
0.505 |
13 |
4 |
0 |
0.193 |
4 |
7 |
|
S |
129 |
31 |
7922 |
◊ |
P |
x,y,z |
1_555 |
122 |
31 |
19536 |
1203.9 |
-16.5 |
0.407 |
11 |
1 |
0 |
0.178 |
8 |
|
F |
125 |
31 |
7782 |
◊ |
C |
x,y,z |
1_555 |
121 |
31 |
19661 |
1195.4 |
-17.4 |
0.370 |
11 |
1 |
0 |
0.178 |
Average: |
1199.7 |
-16.9 |
0.389 |
11 |
1 |
0 |
0.178 |
5 |
9 |
|
U |
118 |
32 |
5597 |
◊ |
Q |
x,y,z |
1_555 |
126 |
38 |
15563 |
1152.1 |
-19.3 |
0.084 |
12 |
4 |
0 |
0.529 |
10 |
|
H |
113 |
29 |
5944 |
◊ |
D |
x,y,z |
1_555 |
122 |
36 |
15683 |
1141.6 |
-19.7 |
0.073 |
14 |
4 |
0 |
0.529 |
Average: |
1146.8 |
-19.5 |
0.079 |
13 |
4 |
0 |
0.529 |
6 |
11 |
|
P |
109 |
32 |
19536 |
◊ |
C |
x,y,z |
1_555 |
105 |
31 |
19661 |
1055.5 |
-21.5 |
0.378 |
7 |
0 |
0 |
0.120 |
7 |
12 |
|
R |
93 |
23 |
12751 |
◊ |
N |
x,y,z |
1_555 |
107 |
33 |
19966 |
950.1 |
-2.0 |
0.816 |
17 |
2 |
0 |
0.064 |
13 |
|
E |
90 |
23 |
13573 |
◊ |
A |
x,y,z |
1_555 |
112 |
33 |
20116 |
950.0 |
-1.8 |
0.804 |
17 |
2 |
0 |
0.064 |
Average: |
950.1 |
-1.9 |
0.810 |
17 |
2 |
0 |
0.064 |
8 |
14 |
|
T |
89 |
22 |
8623 |
◊ |
P |
x,y,z |
1_555 |
107 |
31 |
19536 |
919.8 |
-19.3 |
0.266 |
2 |
0 |
0 |
0.147 |
15 |
|
G |
87 |
22 |
8731 |
◊ |
C |
x,y,z |
1_555 |
108 |
31 |
19661 |
912.8 |
-19.2 |
0.235 |
1 |
0 |
0 |
0.147 |
Average: |
916.3 |
-19.3 |
0.250 |
2 |
0 |
0 |
0.147 |
9 |
16 |
|
J |
83 |
19 |
5721 |
◊ |
D |
x,y,z |
1_555 |
95 |
25 |
15683 |
846.7 |
-7.3 |
0.652 |
10 |
3 |
0 |
0.124 |
17 |
|
W |
82 |
18 |
5571 |
◊ |
Q |
x,y,z |
1_555 |
95 |
25 |
15563 |
839.6 |
-8.4 |
0.626 |
8 |
3 |
0 |
0.124 |
Average: |
843.2 |
-7.9 |
0.639 |
9 |
3 |
0 |
0.124 |
10 |
18 |
|
T |
88 |
20 |
8623 |
◊ |
N |
x,y,z |
1_555 |
94 |
26 |
19966 |
813.7 |
-6.7 |
0.487 |
19 |
3 |
0 |
1.000 |
19 |
|
G |
87 |
20 |
8731 |
◊ |
A |
x,y,z |
1_555 |
95 |
26 |
20116 |
809.9 |
-7.1 |
0.468 |
19 |
3 |
0 |
1.000 |
Average: |
811.8 |
-6.9 |
0.478 |
19 |
3 |
0 |
1.000 |
11 |
20 |
|
V |
74 |
23 |
4414 |
◊ |
N |
x,y,z |
1_555 |
96 |
30 |
19966 |
785.7 |
-6.7 |
0.536 |
11 |
0 |
0 |
0.160 |
21 |
|
I |
73 |
24 |
4544 |
◊ |
A |
x,y,z |
1_555 |
89 |
29 |
20116 |
761.8 |
-5.0 |
0.561 |
8 |
0 |
0 |
0.160 |
Average: |
773.8 |
-5.9 |
0.548 |
10 |
0 |
0 |
0.160 |
12 |
22 |
|
G |
79 |
20 |
8731 |
◊ |
D |
x,y,z |
1_555 |
89 |
20 |
15683 |
756.4 |
-8.8 |
0.601 |
8 |
0 |
0 |
0.102 |
23 |
|
T |
79 |
20 |
8623 |
◊ |
Q |
x,y,z |
1_555 |
88 |
20 |
15563 |
710.7 |
-8.2 |
0.645 |
8 |
0 |
0 |
0.102 |
Average: |
733.6 |
-8.5 |
0.623 |
8 |
0 |
0 |
0.102 |
13 |
24 |
|
R |
80 |
29 |
12751 |
◊ |
Q |
x,y,z |
1_555 |
70 |
20 |
15563 |
751.6 |
-12.0 |
0.217 |
5 |
1 |
0 |
0.143 |
25 |
|
E |
78 |
26 |
13573 |
◊ |
D |
x,y,z |
1_555 |
70 |
21 |
15683 |
743.4 |
-12.4 |
0.163 |
4 |
1 |
0 |
0.143 |
Average: |
747.5 |
-12.2 |
0.190 |
5 |
1 |
0 |
0.143 |
14 |
26 |
|
[PEE]P:3007 |
46 |
1 |
1139 |
f |
P |
x,y,z |
1_555 |
93 |
31 |
19536 |
691.1 |
-16.6 |
0.599 |
3 |
0 |
0 |
0.177 |
27 |
|
[PEE]C:2007 |
46 |
1 |
1141 |
f |
C |
x,y,z |
1_555 |
93 |
30 |
19661 |
689.6 |
-16.5 |
0.599 |
4 |
0 |
0 |
0.177 |
Average: |
690.4 |
-16.5 |
0.599 |
4 |
0 |
0 |
0.177 |
15 |
28 |
|
W |
73 |
18 |
5571 |
◊ |
R |
x,y,z |
1_555 |
72 |
17 |
12751 |
668.1 |
-12.4 |
0.297 |
4 |
5 |
0 |
0.313 |
29 |
|
J |
72 |
18 |
5721 |
◊ |
E |
x,y,z |
1_555 |
74 |
17 |
13573 |
666.3 |
-12.2 |
0.266 |
4 |
5 |
0 |
0.313 |
Average: |
667.2 |
-12.3 |
0.281 |
4 |
5 |
0 |
0.313 |
16 |
30 |
|
O |
71 |
20 |
18671 |
◊ |
B |
x,y,z |
1_555 |
74 |
20 |
18615 |
666.1 |
-4.4 |
0.509 |
8 |
6 |
0 |
0.018 |
17 |
31 |
|
[HEM]P:501 |
43 |
1 |
796 |
f |
P |
x,y,z |
1_555 |
89 |
30 |
19536 |
597.3 |
-22.9 |
0.678 |
3 |
0 |
0 |
0.240 |
32 |
|
[HEM]C:501 |
43 |
1 |
793 |
f |
C |
x,y,z |
1_555 |
88 |
30 |
19661 |
595.1 |
-23.0 |
0.670 |
4 |
0 |
0 |
0.240 |
Average: |
596.2 |
-23.0 |
0.674 |
4 |
0 |
0 |
0.240 |
18 |
33 |
|
[HEM]P:502 |
43 |
1 |
807 |
f |
P |
x,y,z |
1_555 |
85 |
29 |
19536 |
577.4 |
-22.7 |
0.657 |
6 |
0 |
0 |
0.244 |
34 |
|
[HEM]C:502 |
43 |
1 |
805 |
f |
C |
x,y,z |
1_555 |
84 |
29 |
19661 |
576.8 |
-21.3 |
0.709 |
7 |
0 |
0 |
0.244 |
Average: |
577.1 |
-22.0 |
0.683 |
7 |
0 |
0 |
0.244 |
19 |
35 |
|
[HEC]D:501 |
43 |
1 |
821 |
cf |
D |
x,y,z |
1_555 |
71 |
30 |
15683 |
571.5 |
-21.6 |
0.371 |
3 |
0 |
0 |
0.476 |
36 |
|
[HEC]Q:501 |
43 |
1 |
815 |
cf |
Q |
x,y,z |
1_555 |
72 |
30 |
15563 |
571.5 |
-21.6 |
0.372 |
3 |
0 |
0 |
0.476 |
Average: |
571.5 |
-21.6 |
0.371 |
3 |
0 |
0 |
0.476 |
20 |
37 |
|
R |
60 |
21 |
12751 |
◊ |
C |
x,y,z |
1_555 |
57 |
15 |
19661 |
559.5 |
-8.3 |
0.553 |
6 |
0 |
0 |
0.028 |
38 |
|
E |
59 |
21 |
13573 |
◊ |
P |
x,y,z |
1_555 |
56 |
15 |
19536 |
547.2 |
-7.3 |
0.588 |
6 |
0 |
0 |
0.028 |
Average: |
553.4 |
-7.8 |
0.571 |
6 |
0 |
0 |
0.028 |
21 |
39 |
|
G |
55 |
11 |
8731 |
◊ |
E |
x,y,z |
1_555 |
67 |
18 |
13573 |
543.5 |
-3.4 |
0.730 |
10 |
2 |
0 |
0.068 |
40 |
|
T |
57 |
13 |
8623 |
◊ |
R |
x,y,z |
1_555 |
62 |
18 |
12751 |
541.8 |
-3.8 |
0.743 |
9 |
3 |
0 |
0.068 |
Average: |
542.7 |
-3.6 |
0.736 |
10 |
3 |
0 |
0.068 |
22 |
41 |
|
E |
49 |
13 |
13573 |
◊ |
C |
x,y,z |
1_555 |
44 |
14 |
19661 |
476.7 |
-8.4 |
0.341 |
4 |
2 |
0 |
0.034 |
42 |
|
R |
50 |
13 |
12751 |
◊ |
P |
x,y,z |
1_555 |
42 |
14 |
19536 |
472.5 |
-8.2 |
0.372 |
4 |
2 |
0 |
0.034 |
Average: |
474.6 |
-8.3 |
0.357 |
4 |
2 |
0 |
0.034 |
23 |
43 |
|
C |
53 |
16 |
19661 |
◊ |
A |
x,y,z |
1_555 |
46 |
15 |
20116 |
476.3 |
-0.6 |
0.832 |
7 |
4 |
0 |
0.031 |
44 |
|
P |
49 |
15 |
19536 |
◊ |
N |
x,y,z |
1_555 |
43 |
14 |
19966 |
463.7 |
-0.7 |
0.826 |
7 |
4 |
0 |
0.031 |
Average: |
470.0 |
-0.6 |
0.829 |
7 |
4 |
0 |
0.031 |
24 |
45 |
|
G |
49 |
15 |
8731 |
◊ |
F |
x,y,z |
1_555 |
52 |
13 |
7782 |
448.7 |
-1.1 |
0.731 |
3 |
4 |
0 |
0.021 |
46 |
|
T |
48 |
14 |
8623 |
◊ |
S |
x,y,z |
1_555 |
50 |
12 |
7922 |
447.0 |
-0.5 |
0.714 |
3 |
4 |
0 |
0.021 |
Average: |
447.9 |
-0.8 |
0.723 |
3 |
4 |
0 |
0.021 |
25 |
47 |
|
[AZO]P:3001 |
30 |
1 |
669 |
f |
P |
x,y,z |
1_555 |
66 |
25 |
19536 |
448.7 |
-2.5 |
0.548 |
1 |
0 |
0 |
0.029 |
48 |
|
[AZO]C:2001 |
29 |
1 |
673 |
f |
C |
x,y,z |
1_555 |
65 |
24 |
19661 |
448.0 |
-2.7 |
0.548 |
1 |
0 |
0 |
0.029 |
Average: |
448.4 |
-2.6 |
0.548 |
1 |
0 |
0 |
0.029 |
26 |
49 |
|
S |
41 |
10 |
7922 |
◊ |
Q |
x,y,z |
1_555 |
40 |
9 |
15563 |
409.0 |
-6.0 |
0.302 |
4 |
2 |
0 |
0.038 |
50 |
|
F |
39 |
10 |
7782 |
◊ |
D |
x,y,z |
1_555 |
41 |
9 |
15683 |
399.1 |
-5.9 |
0.314 |
4 |
2 |
0 |
0.038 |
Average: |
404.1 |
-6.0 |
0.308 |
4 |
2 |
0 |
0.038 |
27 |
51 |
|
S |
46 |
12 |
7922 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
18615 |
387.3 |
-3.8 |
0.293 |
4 |
3 |
0 |
0.022 |
52 |
|
F |
44 |
10 |
7782 |
◊ |
O |
x,y,z |
1_555 |
41 |
12 |
18671 |
385.5 |
-3.1 |
0.446 |
4 |
3 |
0 |
0.022 |
Average: |
386.4 |
-3.5 |
0.369 |
4 |
3 |
0 |
0.022 |
28 |
53 |
|
[PEE]A:2005 |
38 |
1 |
1333 |
f |
E |
x,y,z |
1_555 |
41 |
13 |
13573 |
377.9 |
-8.4 |
0.245 |
1 |
0 |
0 |
0.185 |
54 |
|
[PEE]P:3005 |
38 |
1 |
1326 |
f |
R |
x,y,z |
1_555 |
39 |
13 |
12751 |
377.3 |
-8.4 |
0.256 |
1 |
0 |
0 |
0.185 |
Average: |
377.6 |
-8.4 |
0.250 |
1 |
0 |
0 |
0.185 |
29 |
55 |
|
H |
48 |
13 |
5944 |
◊ |
G |
x,y,z |
1_555 |
42 |
8 |
8731 |
370.5 |
2.4 |
0.860 |
10 |
9 |
0 |
0.007 |
56 |
|
U |
47 |
12 |
5597 |
◊ |
T |
x,y,z |
1_555 |
35 |
7 |
8623 |
349.8 |
3.3 |
0.906 |
5 |
9 |
0 |
0.007 |
Average: |
360.2 |
2.8 |
0.883 |
8 |
9 |
0 |
0.007 |
30 |
57 |
|
[UQ]C:2002 |
19 |
1 |
497 |
f |
C |
x,y,z |
1_555 |
47 |
21 |
19661 |
355.7 |
-3.9 |
0.585 |
1 |
0 |
0 |
0.032 |
31 |
58 |
|
[UQ]P:3002 |
19 |
1 |
498 |
f |
P |
x,y,z |
1_555 |
44 |
20 |
19536 |
353.6 |
-3.8 |
0.574 |
3 |
0 |
0 |
0.037 |
32 |
59 |
|
F |
35 |
10 |
7782 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
40 |
12 |
15683 |
340.6 |
0.2 |
0.809 |
5 |
2 |
0 |
0.000 |
33 |
60 |
|
Q |
33 |
10 |
15563 |
◊ |
D |
x,y,z |
1_555 |
33 |
11 |
15683 |
280.7 |
-3.0 |
0.588 |
2 |
0 |
0 |
0.011 |
34 |
61 |
|
[PEE]A:2005 |
24 |
1 |
1333 |
◊ |
J |
x,y,z |
1_555 |
34 |
10 |
5721 |
278.3 |
-5.8 |
0.594 |
1 |
0 |
0 |
0.131 |
62 |
|
[PEE]P:3005 |
24 |
1 |
1326 |
◊ |
W |
x,y,z |
1_555 |
33 |
10 |
5571 |
275.0 |
-5.8 |
0.610 |
1 |
0 |
0 |
0.131 |
Average: |
276.7 |
-5.8 |
0.602 |
1 |
0 |
0 |
0.131 |
35 |
63 |
|
[BOG]Q:3009 |
19 |
1 |
526 |
◊ |
Q |
x,y,z |
1_555 |
30 |
8 |
15563 |
220.6 |
2.4 |
0.178 |
3 |
0 |
0 |
0.000 |
64 |
|
[BOG]D:2009 |
19 |
1 |
530 |
◊ |
D |
x,y,z |
1_555 |
30 |
8 |
15683 |
218.1 |
2.3 |
0.173 |
3 |
0 |
0 |
0.000 |
Average: |
219.4 |
2.4 |
0.175 |
3 |
0 |
0 |
0.000 |
36 |
65 |
|
A |
27 |
7 |
20116 |
◊ |
W |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
5 |
5571 |
214.0 |
-3.8 |
0.294 |
4 |
2 |
0 |
0.000 |
66 |
|
J |
17 |
5 |
5721 |
◊ |
N |
-x+1/2,-y+1,z-1/2 |
2_564 |
27 |
7 |
19966 |
210.8 |
-3.8 |
0.276 |
4 |
2 |
0 |
0.000 |
Average: |
212.4 |
-3.8 |
0.285 |
4 |
2 |
0 |
0.000 |
37 |
67 |
|
[CDL]T:3004 |
19 |
1 |
796 |
◊ |
T |
x,y,z |
1_555 |
30 |
7 |
8623 |
200.5 |
-1.5 |
0.747 |
5 |
0 |
0 |
0.027 |
68 |
|
[CDL]G:2004 |
18 |
1 |
795 |
◊ |
G |
x,y,z |
1_555 |
27 |
7 |
8731 |
198.5 |
-1.4 |
0.736 |
4 |
0 |
0 |
0.027 |
Average: |
199.5 |
-1.4 |
0.742 |
5 |
0 |
0 |
0.027 |
38 |
69 |
|
W |
23 |
6 |
5571 |
◊ |
N |
x,y,z |
1_555 |
29 |
7 |
19966 |
197.6 |
-0.1 |
0.624 |
4 |
0 |
0 |
0.012 |
70 |
|
J |
19 |
6 |
5721 |
◊ |
A |
x,y,z |
1_555 |
30 |
7 |
20116 |
183.1 |
0.4 |
0.669 |
4 |
0 |
0 |
0.012 |
Average: |
190.3 |
0.1 |
0.647 |
4 |
0 |
0 |
0.012 |
39 |
71 |
|
[CDL]Q:3003 |
19 |
1 |
850 |
f |
P |
x,y,z |
1_555 |
22 |
9 |
19536 |
193.0 |
-3.5 |
0.589 |
0 |
0 |
0 |
0.035 |
72 |
|
[CDL]D:2003 |
19 |
1 |
850 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
19661 |
188.8 |
-3.6 |
0.572 |
0 |
0 |
0 |
0.035 |
Average: |
190.9 |
-3.6 |
0.581 |
0 |
0 |
0 |
0.035 |
40 |
73 |
|
[CDL]Q:3003 |
20 |
1 |
850 |
◊ |
Q |
x,y,z |
1_555 |
19 |
5 |
15563 |
182.5 |
-0.6 |
0.813 |
5 |
0 |
0 |
0.020 |
74 |
|
[CDL]D:2003 |
18 |
1 |
850 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
15683 |
176.8 |
-0.5 |
0.808 |
4 |
0 |
0 |
0.020 |
Average: |
179.6 |
-0.6 |
0.810 |
5 |
0 |
0 |
0.020 |
41 |
75 |
|
A |
20 |
7 |
20116 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
4 |
5944 |
178.5 |
-0.9 |
0.505 |
1 |
0 |
0 |
0.000 |
42 |
76 |
|
[BOG]P:2010 |
12 |
1 |
306 |
f |
P |
x,y,z |
1_555 |
25 |
7 |
19536 |
169.8 |
-0.1 |
0.686 |
1 |
0 |
0 |
0.004 |
43 |
77 |
|
[CDL]G:2004 |
16 |
1 |
795 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
19661 |
169.2 |
-2.2 |
0.588 |
2 |
0 |
0 |
0.031 |
78 |
|
[CDL]T:3004 |
16 |
1 |
796 |
f |
P |
x,y,z |
1_555 |
19 |
8 |
19536 |
168.9 |
-2.3 |
0.560 |
2 |
0 |
0 |
0.031 |
Average: |
169.1 |
-2.3 |
0.574 |
2 |
0 |
0 |
0.031 |
44 |
79 |
|
[CDL]G:2004 |
17 |
1 |
795 |
f |
[PEE]C:2007 |
x,y,z |
1_555 |
18 |
1 |
1141 |
169.1 |
-3.0 |
0.718 |
4 |
0 |
0 |
0.047 |
80 |
|
[CDL]T:3004 |
16 |
1 |
796 |
f |
[PEE]P:3007 |
x,y,z |
1_555 |
18 |
1 |
1139 |
169.0 |
-3.0 |
0.703 |
4 |
0 |
0 |
0.047 |
Average: |
169.0 |
-3.0 |
0.710 |
4 |
0 |
0 |
0.047 |
45 |
81 |
|
[CDL]Q:3003 |
15 |
1 |
850 |
◊ |
T |
x,y,z |
1_555 |
15 |
7 |
8623 |
167.7 |
-1.9 |
0.614 |
0 |
0 |
0 |
0.014 |
82 |
|
[CDL]D:2003 |
14 |
1 |
850 |
◊ |
G |
x,y,z |
1_555 |
16 |
7 |
8731 |
166.2 |
-1.8 |
0.615 |
0 |
0 |
0 |
0.014 |
Average: |
167.0 |
-1.9 |
0.614 |
0 |
0 |
0 |
0.014 |
46 |
83 |
|
[PEE]P:3005 |
19 |
1 |
1326 |
◊ |
P |
x,y,z |
1_555 |
10 |
6 |
19536 |
164.3 |
-4.0 |
0.174 |
0 |
0 |
0 |
0.013 |
84 |
|
[PEE]A:2005 |
18 |
1 |
1333 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
19661 |
154.9 |
-3.8 |
0.194 |
0 |
0 |
0 |
0.013 |
Average: |
159.6 |
-3.9 |
0.184 |
0 |
0 |
0 |
0.013 |
47 |
85 |
|
E |
21 |
6 |
13573 |
◊ |
N |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
4 |
19966 |
162.6 |
0.1 |
0.679 |
2 |
2 |
0 |
0.000 |
86 |
|
A |
17 |
4 |
20116 |
◊ |
R |
-x+1/2,-y+1,z-1/2 |
2_564 |
21 |
6 |
12751 |
159.0 |
0.2 |
0.694 |
3 |
2 |
0 |
0.000 |
Average: |
160.8 |
0.2 |
0.686 |
3 |
2 |
0 |
0.000 |
48 |
87 |
|
[GOL]P:3011 |
6 |
1 |
223 |
f |
P |
x,y,z |
1_555 |
28 |
8 |
19536 |
146.7 |
-0.8 |
0.633 |
3 |
0 |
0 |
0.015 |
49 |
88 |
|
[GOL]C:2011 |
6 |
1 |
224 |
f |
C |
x,y,z |
1_555 |
27 |
8 |
19661 |
146.6 |
-0.8 |
0.631 |
1 |
0 |
0 |
0.009 |
50 |
89 |
|
O |
17 |
5 |
18671 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
4 |
5944 |
137.7 |
0.0 |
0.650 |
1 |
1 |
0 |
0.000 |
51 |
90 |
|
[CDL]T:3004 |
13 |
1 |
796 |
f |
[CDL]Q:3003 |
x,y,z |
1_555 |
16 |
1 |
850 |
133.3 |
0.8 |
0.900 |
0 |
0 |
0 |
0.000 |
91 |
|
[CDL]G:2004 |
13 |
1 |
795 |
f |
[CDL]D:2003 |
x,y,z |
1_555 |
15 |
1 |
850 |
132.6 |
0.7 |
0.895 |
0 |
0 |
0 |
0.000 |
Average: |
133.0 |
0.7 |
0.897 |
0 |
0 |
0 |
0.000 |
52 |
92 |
|
[PEE]C:2007 |
15 |
1 |
1141 |
◊ |
G |
x,y,z |
1_555 |
17 |
6 |
8731 |
131.3 |
0.1 |
0.809 |
0 |
0 |
0 |
0.000 |
93 |
|
[PEE]P:3007 |
14 |
1 |
1139 |
◊ |
T |
x,y,z |
1_555 |
16 |
6 |
8623 |
130.4 |
-0.0 |
0.803 |
0 |
0 |
0 |
0.000 |
Average: |
130.8 |
0.0 |
0.806 |
0 |
0 |
0 |
0.000 |
53 |
94 |
|
[FES]R:501 |
4 |
1 |
236 |
f |
R |
x,y,z |
1_555 |
16 |
8 |
12751 |
123.2 |
-16.5 |
0.712 |
3 |
0 |
0 |
0.379 |
95 |
|
[FES]E:501 |
4 |
1 |
236 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
13573 |
121.8 |
-16.4 |
0.697 |
4 |
0 |
0 |
0.379 |
Average: |
122.5 |
-16.4 |
0.704 |
4 |
0 |
0 |
0.379 |
54 |
96 |
|
[PEE]P:3005 |
15 |
1 |
1326 |
◊ |
Q |
x,y,z |
1_555 |
8 |
4 |
15563 |
122.0 |
-2.5 |
0.421 |
1 |
0 |
0 |
0.029 |
97 |
|
[PEE]A:2005 |
15 |
1 |
1333 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
15683 |
121.9 |
-2.4 |
0.438 |
1 |
0 |
0 |
0.029 |
Average: |
121.9 |
-2.4 |
0.430 |
1 |
0 |
0 |
0.029 |
55 |
98 |
|
[BOG]Q:3009 |
12 |
1 |
526 |
◊ |
R |
x,y,z |
1_555 |
17 |
6 |
12751 |
122.0 |
2.4 |
0.305 |
0 |
0 |
0 |
0.000 |
99 |
|
[BOG]D:2009 |
12 |
1 |
530 |
◊ |
E |
x,y,z |
1_555 |
16 |
6 |
13573 |
119.1 |
2.3 |
0.299 |
0 |
0 |
0 |
0.000 |
Average: |
120.5 |
2.4 |
0.302 |
0 |
0 |
0 |
0.000 |
56 |
100 |
|
[BOG]D:2091 |
10 |
1 |
341 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
15683 |
114.0 |
0.3 |
0.414 |
2 |
0 |
0 |
0.012 |
57 |
101 |
|
A |
13 |
5 |
20116 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
8731 |
110.3 |
0.6 |
0.766 |
2 |
0 |
0 |
0.000 |
58 |
102 |
|
[PEE]A:2008 |
10 |
1 |
591 |
◊ |
[PEE]A:2005 |
x,y,z |
1_555 |
17 |
1 |
1333 |
99.7 |
-2.1 |
0.805 |
0 |
0 |
0 |
0.007 |
59 |
103 |
|
[PEE]A:2008 |
8 |
1 |
591 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
19661 |
98.3 |
-2.8 |
0.629 |
1 |
0 |
0 |
0.023 |
60 |
104 |
|
D |
11 |
3 |
15683 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
20116 |
89.3 |
-1.0 |
0.419 |
1 |
0 |
0 |
0.009 |
105 |
|
Q |
11 |
3 |
15563 |
◊ |
N |
x,y,z |
1_555 |
11 |
5 |
19966 |
87.0 |
-0.9 |
0.427 |
1 |
0 |
0 |
0.009 |
Average: |
88.2 |
-0.9 |
0.423 |
1 |
0 |
0 |
0.009 |
61 |
106 |
|
[BOG]Q:3009 |
8 |
1 |
526 |
f |
P |
x,y,z |
1_555 |
12 |
5 |
19536 |
83.2 |
1.0 |
0.353 |
2 |
0 |
0 |
0.000 |
107 |
|
[BOG]D:2009 |
7 |
1 |
530 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
19661 |
76.2 |
0.8 |
0.327 |
2 |
0 |
0 |
0.000 |
Average: |
79.7 |
0.9 |
0.340 |
2 |
0 |
0 |
0.001 |
62 |
108 |
|
[PEE]A:2008 |
6 |
1 |
591 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
20116 |
82.5 |
-0.8 |
0.568 |
1 |
0 |
0 |
0.009 |
63 |
109 |
|
[BOG]Q:3091 |
8 |
1 |
339 |
◊ |
Q |
x,y,z |
1_555 |
9 |
4 |
15563 |
75.9 |
1.0 |
0.572 |
1 |
0 |
0 |
0.000 |
64 |
110 |
|
W |
9 |
4 |
5571 |
◊ |
S |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
2 |
7922 |
75.1 |
0.8 |
0.754 |
0 |
0 |
0 |
0.000 |
65 |
111 |
|
[CDL]Q:3003 |
6 |
1 |
850 |
◊ |
S |
x,y,z |
1_555 |
9 |
3 |
7922 |
74.7 |
-0.1 |
0.627 |
1 |
0 |
0 |
0.004 |
112 |
|
[CDL]D:2003 |
6 |
1 |
850 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
7782 |
74.3 |
-0.1 |
0.641 |
1 |
0 |
0 |
0.004 |
Average: |
74.5 |
-0.1 |
0.634 |
1 |
0 |
0 |
0.004 |
66 |
113 |
|
[UQ]C:2002 |
15 |
1 |
497 |
f |
[HEM]C:502 |
x,y,z |
1_555 |
5 |
1 |
805 |
66.7 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
67 |
114 |
|
[UQ]P:3002 |
15 |
1 |
498 |
f |
[HEM]P:502 |
x,y,z |
1_555 |
4 |
1 |
807 |
66.4 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
68 |
115 |
|
[PEE]A:2005 |
8 |
1 |
1333 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
20116 |
58.7 |
-0.3 |
0.694 |
1 |
0 |
0 |
0.005 |
116 |
|
[PEE]P:3005 |
6 |
1 |
1326 |
◊ |
N |
x,y,z |
1_555 |
11 |
2 |
19966 |
58.0 |
-0.2 |
0.684 |
1 |
0 |
0 |
0.005 |
Average: |
58.3 |
-0.3 |
0.689 |
1 |
0 |
0 |
0.005 |
69 |
117 |
|
F |
5 |
2 |
7782 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
5944 |
54.4 |
0.9 |
0.767 |
0 |
1 |
0 |
0.000 |
70 |
118 |
|
F |
7 |
3 |
7782 |
◊ |
N |
x,y,z |
1_555 |
4 |
2 |
19966 |
54.0 |
-0.8 |
0.242 |
1 |
0 |
0 |
0.007 |
119 |
|
S |
7 |
3 |
7922 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20116 |
50.3 |
-0.7 |
0.262 |
1 |
0 |
0 |
0.007 |
Average: |
52.1 |
-0.8 |
0.252 |
1 |
0 |
0 |
0.007 |
71 |
120 |
|
[BOG]Q:3091 |
4 |
1 |
339 |
f |
P |
x,y,z |
1_555 |
11 |
3 |
19536 |
53.8 |
0.7 |
0.723 |
1 |
0 |
0 |
0.000 |
72 |
121 |
|
[PEE]N:3008 |
4 |
1 |
212 |
f |
N |
x,y,z |
1_555 |
6 |
2 |
19966 |
48.9 |
-2.8 |
0.720 |
1 |
0 |
0 |
0.174 |
73 |
122 |
|
V |
4 |
1 |
4414 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
4544 |
48.1 |
-0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
74 |
123 |
|
R |
6 |
2 |
12751 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
15683 |
43.5 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
124 |
|
E |
4 |
2 |
13573 |
◊ |
Q |
x,y,z |
1_555 |
3 |
1 |
15563 |
16.7 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
Average: |
30.1 |
0.4 |
0.759 |
0 |
0 |
0 |
0.000 |
75 |
125 |
|
B |
7 |
3 |
18615 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
8731 |
43.4 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
76 |
126 |
|
R |
4 |
1 |
12751 |
◊ |
S |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
7922 |
43.1 |
-0.0 |
0.565 |
0 |
1 |
0 |
0.000 |
77 |
127 |
|
[CDL]G:2004 |
6 |
1 |
795 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
7782 |
43.1 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
128 |
|
[CDL]T:3004 |
6 |
1 |
796 |
◊ |
S |
x,y,z |
1_555 |
5 |
1 |
7922 |
41.9 |
0.2 |
0.716 |
0 |
0 |
0 |
0.000 |
Average: |
42.5 |
0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
78 |
129 |
|
[BOG]D:2091 |
4 |
1 |
341 |
◊ |
[BOG]D:2009 |
x,y,z |
1_555 |
4 |
1 |
530 |
42.4 |
0.4 |
0.196 |
0 |
0 |
0 |
0.000 |
79 |
130 |
|
[PEE]N:3008 |
4 |
1 |
212 |
◊ |
[PEE]P:3005 |
x,y,z |
1_555 |
9 |
1 |
1326 |
40.4 |
-2.8 |
0.898 |
0 |
0 |
0 |
0.018 |
80 |
131 |
|
[PEE]N:3008 |
4 |
1 |
212 |
◊ |
P |
x,y,z |
1_555 |
6 |
3 |
19536 |
34.3 |
-1.1 |
0.979 |
1 |
0 |
0 |
0.011 |
81 |
132 |
|
[PEE]C:2007 |
3 |
1 |
1141 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
7782 |
32.9 |
1.1 |
0.838 |
0 |
0 |
0 |
0.000 |
133 |
|
[PEE]P:3007 |
3 |
1 |
1139 |
◊ |
S |
x,y,z |
1_555 |
4 |
3 |
7922 |
31.3 |
1.1 |
0.839 |
0 |
0 |
0 |
0.000 |
Average: |
32.1 |
1.1 |
0.839 |
0 |
0 |
0 |
0.000 |
82 |
134 |
|
D |
4 |
2 |
15683 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
5944 |
32.2 |
0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
83 |
135 |
|
[GOL]P:3011 |
4 |
1 |
223 |
◊ |
Q |
x,y,z |
1_555 |
7 |
1 |
15563 |
31.0 |
-0.2 |
0.611 |
0 |
0 |
0 |
0.001 |
84 |
136 |
|
[GOL]C:2011 |
4 |
1 |
224 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
15683 |
30.1 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
85 |
137 |
|
[BOG]D:2009 |
2 |
1 |
530 |
◊ |
[PEE]A:2005 |
x,y,z |
1_555 |
3 |
1 |
1333 |
23.3 |
1.3 |
0.680 |
0 |
0 |
0 |
0.000 |
138 |
|
[BOG]Q:3009 |
2 |
1 |
526 |
◊ |
[PEE]P:3005 |
x,y,z |
1_555 |
3 |
1 |
1326 |
21.5 |
1.2 |
0.645 |
0 |
0 |
0 |
0.000 |
Average: |
22.4 |
1.2 |
0.663 |
0 |
0 |
0 |
0.000 |
86 |
139 |
|
[BOG]P:2010 |
2 |
1 |
306 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19661 |
22.5 |
-0.1 |
0.287 |
0 |
0 |
0 |
0.000 |
87 |
140 |
|
[BOG]D:2009 |
3 |
1 |
530 |
◊ |
J |
x,y,z |
1_555 |
3 |
3 |
5721 |
21.5 |
0.5 |
0.397 |
1 |
0 |
0 |
0.000 |
141 |
|
[BOG]Q:3009 |
4 |
1 |
526 |
◊ |
W |
x,y,z |
1_555 |
3 |
3 |
5571 |
20.4 |
0.5 |
0.309 |
0 |
0 |
0 |
0.000 |
Average: |
21.0 |
0.5 |
0.353 |
1 |
0 |
0 |
0.000 |
88 |
142 |
|
C |
3 |
1 |
19661 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
15683 |
19.5 |
0.5 |
0.906 |
0 |
0 |
0 |
0.000 |
89 |
143 |
|
[AZO]P:3001 |
1 |
1 |
669 |
f |
[HEM]P:501 |
x,y,z |
1_555 |
1 |
1 |
796 |
15.8 |
-0.5 |
0.343 |
0 |
0 |
0 |
0.005 |
144 |
|
[AZO]C:2001 |
1 |
1 |
673 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
1 |
1 |
793 |
14.1 |
-0.4 |
0.340 |
0 |
0 |
0 |
0.005 |
Average: |
14.9 |
-0.5 |
0.342 |
0 |
0 |
0 |
0.005 |
90 |
145 |
|
[BOG]Q:3091 |
3 |
1 |
339 |
f |
[BOG]Q:3009 |
x,y,z |
1_555 |
1 |
1 |
526 |
15.1 |
0.1 |
0.410 |
0 |
0 |
0 |
0.000 |
91 |
146 |
|
[BOG]D:2091 |
2 |
1 |
341 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
5721 |
14.7 |
0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
92 |
147 |
|
[BOG]D:2091 |
1 |
1 |
341 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19661 |
11.9 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
93 |
148 |
|
I |
1 |
1 |
4544 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
8731 |
11.5 |
-0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
94 |
149 |
|
I |
1 |
1 |
4544 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
18671 |
9.0 |
0.2 |
0.552 |
0 |
0 |
0 |
0.000 |
150 |
|
V |
2 |
1 |
4414 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18615 |
1.4 |
0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
Average: |
5.2 |
0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
95 |
151 |
|
[GOL]C:2011 |
2 |
1 |
224 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
3 |
1 |
793 |
7.0 |
-0.4 |
0.702 |
0 |
0 |
0 |
0.003 |
96 |
152 |
|
F |
1 |
1 |
7782 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20116 |
4.5 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
153 |
|
S |
1 |
1 |
7922 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
19966 |
3.8 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
Average: |
4.1 |
-0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
97 |
154 |
|
S |
1 |
1 |
7922 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
12751 |
2.3 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
98 |
155 |
|
[PEE]P:3005 |
1 |
1 |
1326 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
8623 |
1.6 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
156 |
|
[PEE]A:2005 |
1 |
1 |
1333 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8731 |
1.5 |
-0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
Average: |
1.5 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.001 |
99 |
157 |
|
[HEM]C:501 |
1 |
1 |
793 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
19536 |
0.8 |
-0.0 |
0.790 |
0 |
0 |
0 |
0.000 |
100 |
158 |
|
[PEE]N:3008 |
1 |
1 |
212 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
15563 |
0.8 |
-0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
|