## |
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 |
|
V |
175 |
41 |
4837 |
◊ |
O |
x,y,z |
1_555 |
253 |
83 |
18633 |
2160.4 |
-24.9 |
0.410 |
19 |
1 |
0 |
0.469 |
2 |
|
I |
190 |
43 |
4902 |
◊ |
B |
x,y,z |
1_555 |
253 |
81 |
18756 |
2152.3 |
-26.9 |
0.325 |
18 |
1 |
0 |
0.469 |
Average: |
2156.4 |
-25.9 |
0.368 |
19 |
1 |
0 |
0.469 |
2 |
3 |
|
O |
189 |
49 |
18633 |
◊ |
N |
x,y,z |
1_555 |
227 |
61 |
20209 |
1952.1 |
-18.8 |
0.123 |
24 |
8 |
0 |
1.000 |
4 |
|
B |
187 |
50 |
18756 |
◊ |
A |
x,y,z |
1_555 |
217 |
61 |
20296 |
1928.2 |
-17.8 |
0.151 |
25 |
8 |
0 |
1.000 |
Average: |
1940.2 |
-18.3 |
0.137 |
25 |
8 |
0 |
1.000 |
3 |
5 |
|
Q |
152 |
39 |
15684 |
◊ |
P |
x,y,z |
1_555 |
146 |
38 |
19775 |
1449.8 |
-19.9 |
0.508 |
15 |
4 |
0 |
0.168 |
6 |
|
D |
149 |
39 |
15708 |
◊ |
C |
x,y,z |
1_555 |
144 |
38 |
19909 |
1444.6 |
-20.9 |
0.479 |
14 |
4 |
0 |
0.168 |
Average: |
1447.2 |
-20.4 |
0.493 |
15 |
4 |
0 |
0.168 |
4 |
7 |
|
S |
130 |
31 |
7910 |
◊ |
P |
x,y,z |
1_555 |
124 |
32 |
19775 |
1197.6 |
-16.7 |
0.399 |
10 |
1 |
0 |
0.179 |
8 |
|
F |
130 |
31 |
7754 |
◊ |
C |
x,y,z |
1_555 |
121 |
31 |
19909 |
1193.4 |
-17.5 |
0.403 |
10 |
1 |
0 |
0.179 |
Average: |
1195.5 |
-17.1 |
0.401 |
10 |
1 |
0 |
0.179 |
5 |
9 |
|
U |
121 |
32 |
5565 |
◊ |
Q |
x,y,z |
1_555 |
127 |
38 |
15684 |
1150.2 |
-18.5 |
0.109 |
13 |
5 |
0 |
0.522 |
10 |
|
H |
123 |
31 |
5897 |
◊ |
D |
x,y,z |
1_555 |
122 |
37 |
15708 |
1144.2 |
-19.5 |
0.092 |
11 |
4 |
0 |
0.522 |
Average: |
1147.2 |
-19.0 |
0.100 |
12 |
5 |
0 |
0.522 |
6 |
11 |
|
P |
99 |
30 |
19775 |
◊ |
C |
x,y,z |
1_555 |
101 |
30 |
19909 |
1014.5 |
-21.8 |
0.289 |
4 |
0 |
0 |
0.097 |
7 |
12 |
|
R |
93 |
23 |
12904 |
◊ |
N |
x,y,z |
1_555 |
111 |
33 |
20209 |
945.8 |
-1.9 |
0.825 |
13 |
2 |
0 |
0.067 |
13 |
|
E |
93 |
23 |
13515 |
◊ |
A |
x,y,z |
1_555 |
110 |
33 |
20296 |
944.5 |
-2.8 |
0.755 |
15 |
2 |
0 |
0.067 |
Average: |
945.1 |
-2.3 |
0.790 |
14 |
2 |
0 |
0.067 |
8 |
14 |
|
T |
89 |
23 |
8660 |
◊ |
P |
x,y,z |
1_555 |
107 |
31 |
19775 |
921.6 |
-18.8 |
0.276 |
2 |
1 |
0 |
0.145 |
15 |
|
G |
86 |
22 |
8780 |
◊ |
C |
x,y,z |
1_555 |
107 |
30 |
19909 |
905.8 |
-18.5 |
0.251 |
3 |
0 |
0 |
0.145 |
Average: |
913.7 |
-18.6 |
0.263 |
3 |
1 |
0 |
0.145 |
9 |
16 |
|
J |
82 |
19 |
5783 |
◊ |
D |
x,y,z |
1_555 |
94 |
25 |
15708 |
828.4 |
-7.4 |
0.638 |
8 |
3 |
0 |
0.119 |
17 |
|
W |
81 |
18 |
5584 |
◊ |
Q |
x,y,z |
1_555 |
95 |
25 |
15684 |
823.3 |
-7.9 |
0.643 |
8 |
4 |
0 |
0.119 |
Average: |
825.9 |
-7.7 |
0.640 |
8 |
4 |
0 |
0.119 |
10 |
18 |
|
T |
91 |
20 |
8660 |
◊ |
N |
x,y,z |
1_555 |
94 |
26 |
20209 |
811.9 |
-6.0 |
0.562 |
19 |
3 |
0 |
0.109 |
19 |
|
G |
90 |
20 |
8780 |
◊ |
A |
x,y,z |
1_555 |
95 |
26 |
20296 |
811.1 |
-6.4 |
0.523 |
19 |
3 |
0 |
0.109 |
Average: |
811.5 |
-6.2 |
0.542 |
19 |
3 |
0 |
0.109 |
11 |
20 |
|
E |
80 |
28 |
13515 |
◊ |
D |
x,y,z |
1_555 |
70 |
21 |
15708 |
746.8 |
-11.1 |
0.245 |
4 |
1 |
0 |
0.137 |
21 |
|
R |
76 |
26 |
12904 |
◊ |
Q |
x,y,z |
1_555 |
67 |
20 |
15684 |
735.2 |
-11.9 |
0.202 |
3 |
1 |
0 |
0.137 |
Average: |
741.0 |
-11.5 |
0.223 |
4 |
1 |
0 |
0.137 |
12 |
22 |
|
T |
78 |
20 |
8660 |
◊ |
Q |
x,y,z |
1_555 |
84 |
19 |
15684 |
734.0 |
-8.2 |
0.628 |
9 |
0 |
0 |
0.102 |
23 |
|
G |
74 |
18 |
8780 |
◊ |
D |
x,y,z |
1_555 |
81 |
19 |
15708 |
723.1 |
-8.3 |
0.588 |
8 |
0 |
0 |
0.102 |
Average: |
728.6 |
-8.2 |
0.608 |
9 |
0 |
0 |
0.102 |
13 |
24 |
|
I |
72 |
21 |
4902 |
◊ |
A |
x,y,z |
1_555 |
87 |
25 |
20296 |
716.0 |
-4.7 |
0.718 |
11 |
0 |
0 |
0.128 |
25 |
|
V |
70 |
21 |
4837 |
◊ |
N |
x,y,z |
1_555 |
82 |
24 |
20209 |
709.2 |
-5.5 |
0.670 |
10 |
0 |
0 |
0.128 |
Average: |
712.6 |
-5.1 |
0.694 |
11 |
0 |
0 |
0.128 |
14 |
26 |
|
[PEE]C:506 |
46 |
1 |
1157 |
f |
C |
x,y,z |
1_555 |
90 |
29 |
19909 |
690.0 |
-17.6 |
0.582 |
4 |
0 |
0 |
0.159 |
27 |
|
[PEE]P:507 |
47 |
1 |
1152 |
f |
P |
x,y,z |
1_555 |
91 |
29 |
19775 |
689.9 |
-17.6 |
0.585 |
4 |
0 |
0 |
0.159 |
Average: |
689.9 |
-17.6 |
0.584 |
4 |
0 |
0 |
0.159 |
15 |
28 |
|
W |
76 |
16 |
5584 |
◊ |
R |
x,y,z |
1_555 |
76 |
18 |
12904 |
684.2 |
-11.7 |
0.381 |
6 |
6 |
0 |
0.318 |
29 |
|
J |
70 |
16 |
5783 |
◊ |
E |
x,y,z |
1_555 |
79 |
18 |
13515 |
675.2 |
-11.5 |
0.322 |
5 |
6 |
0 |
0.318 |
Average: |
679.7 |
-11.6 |
0.352 |
6 |
6 |
0 |
0.318 |
16 |
30 |
|
O |
72 |
19 |
18633 |
◊ |
B |
x,y,z |
1_555 |
73 |
19 |
18756 |
653.8 |
-4.4 |
0.516 |
10 |
6 |
0 |
0.019 |
17 |
31 |
|
[HEM]P:501 |
43 |
1 |
790 |
f |
P |
x,y,z |
1_555 |
88 |
31 |
19775 |
602.5 |
-23.4 |
0.651 |
4 |
0 |
0 |
0.207 |
32 |
|
[HEM]C:501 |
43 |
1 |
788 |
f |
C |
x,y,z |
1_555 |
84 |
31 |
19909 |
597.0 |
-23.3 |
0.643 |
4 |
0 |
0 |
0.207 |
Average: |
599.8 |
-23.3 |
0.647 |
4 |
0 |
0 |
0.207 |
18 |
33 |
|
[HEM]P:502 |
43 |
1 |
811 |
f |
P |
x,y,z |
1_555 |
90 |
29 |
19775 |
586.5 |
-21.5 |
0.717 |
4 |
0 |
0 |
0.203 |
34 |
|
[HEM]C:502 |
43 |
1 |
803 |
f |
C |
x,y,z |
1_555 |
90 |
30 |
19909 |
578.9 |
-23.8 |
0.645 |
5 |
0 |
0 |
0.203 |
Average: |
582.7 |
-22.7 |
0.681 |
5 |
0 |
0 |
0.203 |
19 |
35 |
|
[HEC]D:501 |
43 |
1 |
815 |
cf |
D |
x,y,z |
1_555 |
68 |
29 |
15708 |
573.0 |
-21.6 |
0.351 |
3 |
0 |
0 |
0.482 |
36 |
|
[HEC]Q:501 |
43 |
1 |
816 |
cf |
Q |
x,y,z |
1_555 |
71 |
30 |
15684 |
573.0 |
-21.5 |
0.372 |
4 |
0 |
0 |
0.482 |
Average: |
573.0 |
-21.5 |
0.361 |
4 |
0 |
0 |
0.482 |
20 |
37 |
|
G |
55 |
12 |
8780 |
◊ |
E |
x,y,z |
1_555 |
64 |
18 |
13515 |
556.8 |
-3.7 |
0.711 |
10 |
2 |
0 |
0.073 |
38 |
|
T |
55 |
12 |
8660 |
◊ |
R |
x,y,z |
1_555 |
62 |
18 |
12904 |
550.5 |
-3.7 |
0.737 |
10 |
2 |
0 |
0.073 |
Average: |
553.6 |
-3.7 |
0.724 |
10 |
2 |
0 |
0.073 |
21 |
39 |
|
R |
62 |
21 |
12904 |
◊ |
C |
x,y,z |
1_555 |
54 |
15 |
19909 |
556.4 |
-8.0 |
0.576 |
6 |
0 |
0 |
0.068 |
40 |
|
E |
58 |
20 |
13515 |
◊ |
P |
x,y,z |
1_555 |
58 |
15 |
19775 |
550.4 |
-7.4 |
0.597 |
5 |
0 |
0 |
0.068 |
Average: |
553.4 |
-7.7 |
0.586 |
6 |
0 |
0 |
0.068 |
22 |
41 |
|
E |
50 |
12 |
13515 |
◊ |
C |
x,y,z |
1_555 |
43 |
14 |
19909 |
478.2 |
-8.4 |
0.353 |
4 |
2 |
0 |
0.070 |
42 |
|
R |
51 |
13 |
12904 |
◊ |
P |
x,y,z |
1_555 |
44 |
14 |
19775 |
471.4 |
-8.2 |
0.385 |
4 |
2 |
0 |
0.070 |
Average: |
474.8 |
-8.3 |
0.369 |
4 |
2 |
0 |
0.070 |
23 |
43 |
|
C |
52 |
15 |
19909 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
20296 |
476.7 |
-3.0 |
0.758 |
5 |
2 |
0 |
0.040 |
44 |
|
P |
50 |
15 |
19775 |
◊ |
N |
x,y,z |
1_555 |
43 |
14 |
20209 |
443.9 |
-2.4 |
0.773 |
5 |
2 |
0 |
0.040 |
Average: |
460.3 |
-2.7 |
0.765 |
5 |
2 |
0 |
0.040 |
24 |
45 |
|
[WF3]P:504 |
31 |
1 |
679 |
f |
P |
x,y,z |
1_555 |
70 |
24 |
19775 |
457.2 |
1.2 |
0.678 |
2 |
0 |
0 |
0.000 |
46 |
|
[WF3]C:503 |
31 |
1 |
678 |
f |
C |
x,y,z |
1_555 |
71 |
24 |
19909 |
456.8 |
1.2 |
0.689 |
2 |
0 |
0 |
0.000 |
Average: |
457.0 |
1.2 |
0.683 |
2 |
0 |
0 |
0.000 |
25 |
47 |
|
T |
48 |
14 |
8660 |
◊ |
S |
x,y,z |
1_555 |
48 |
11 |
7910 |
447.1 |
-0.6 |
0.690 |
6 |
3 |
0 |
0.027 |
48 |
|
G |
45 |
13 |
8780 |
◊ |
F |
x,y,z |
1_555 |
48 |
11 |
7754 |
446.6 |
-1.3 |
0.691 |
6 |
3 |
0 |
0.027 |
Average: |
446.9 |
-0.9 |
0.691 |
6 |
3 |
0 |
0.027 |
26 |
49 |
|
S |
43 |
10 |
7910 |
◊ |
Q |
x,y,z |
1_555 |
43 |
10 |
15684 |
421.2 |
-6.3 |
0.294 |
4 |
2 |
0 |
0.040 |
50 |
|
F |
41 |
10 |
7754 |
◊ |
D |
x,y,z |
1_555 |
43 |
9 |
15708 |
406.1 |
-6.3 |
0.296 |
4 |
2 |
0 |
0.040 |
Average: |
413.7 |
-6.3 |
0.295 |
4 |
2 |
0 |
0.040 |
27 |
51 |
|
[PEE]E:502 |
37 |
1 |
1341 |
f |
E |
x,y,z |
1_555 |
44 |
13 |
13515 |
386.1 |
-8.0 |
0.248 |
1 |
0 |
0 |
0.184 |
28 |
52 |
|
F |
44 |
10 |
7754 |
◊ |
O |
x,y,z |
1_555 |
39 |
11 |
18633 |
382.7 |
-4.2 |
0.297 |
5 |
3 |
0 |
0.026 |
53 |
|
S |
42 |
11 |
7910 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
18756 |
378.8 |
-4.2 |
0.274 |
5 |
3 |
0 |
0.026 |
Average: |
380.8 |
-4.2 |
0.286 |
5 |
3 |
0 |
0.026 |
29 |
54 |
|
[PEE]R:502 |
37 |
1 |
1414 |
f |
R |
x,y,z |
1_555 |
38 |
13 |
12904 |
356.2 |
-9.9 |
0.368 |
1 |
0 |
0 |
0.210 |
30 |
55 |
|
H |
47 |
12 |
5897 |
◊ |
G |
x,y,z |
1_555 |
39 |
8 |
8780 |
351.7 |
2.9 |
0.884 |
8 |
10 |
0 |
0.006 |
56 |
|
U |
38 |
12 |
5565 |
◊ |
T |
x,y,z |
1_555 |
33 |
6 |
8660 |
338.9 |
3.5 |
0.922 |
6 |
12 |
0 |
0.006 |
Average: |
345.3 |
3.2 |
0.903 |
7 |
11 |
0 |
0.006 |
31 |
57 |
|
[UQ]C:504 |
19 |
1 |
494 |
f |
C |
x,y,z |
1_555 |
44 |
21 |
19909 |
350.5 |
-3.6 |
0.565 |
3 |
0 |
0 |
0.037 |
58 |
|
[UQ]P:505 |
19 |
1 |
496 |
f |
P |
x,y,z |
1_555 |
45 |
21 |
19775 |
348.3 |
-3.6 |
0.564 |
1 |
0 |
0 |
0.037 |
Average: |
349.4 |
-3.6 |
0.564 |
2 |
0 |
0 |
0.037 |
32 |
59 |
|
F |
34 |
10 |
7754 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
39 |
12 |
15708 |
331.0 |
0.2 |
0.801 |
5 |
0 |
0 |
0.000 |
33 |
60 |
|
[PEE]R:502 |
26 |
1 |
1414 |
◊ |
W |
x,y,z |
1_555 |
32 |
10 |
5584 |
282.0 |
-5.5 |
0.652 |
2 |
0 |
0 |
0.129 |
34 |
61 |
|
[PEE]E:502 |
25 |
1 |
1341 |
◊ |
J |
x,y,z |
1_555 |
33 |
10 |
5783 |
280.0 |
-5.6 |
0.583 |
1 |
0 |
0 |
0.133 |
35 |
62 |
|
Q |
33 |
10 |
15684 |
◊ |
D |
x,y,z |
1_555 |
34 |
10 |
15708 |
269.1 |
-3.3 |
0.570 |
2 |
0 |
0 |
0.012 |
36 |
63 |
|
[PEE]R:502 |
18 |
1 |
1414 |
◊ |
P |
x,y,z |
1_555 |
19 |
10 |
19775 |
227.8 |
-3.3 |
0.271 |
0 |
0 |
0 |
0.011 |
37 |
64 |
|
A |
29 |
7 |
20296 |
◊ |
W |
-x+1/2,-y+1,z-1/2 |
2_564 |
18 |
5 |
5584 |
211.8 |
-3.6 |
0.344 |
4 |
1 |
0 |
0.000 |
65 |
|
J |
18 |
5 |
5783 |
◊ |
N |
-x+1/2,-y+1,z-1/2 |
2_564 |
29 |
7 |
20209 |
207.4 |
-2.9 |
0.408 |
5 |
1 |
0 |
0.000 |
Average: |
209.6 |
-3.2 |
0.376 |
5 |
1 |
0 |
0.000 |
38 |
66 |
|
[CDL]C:505 |
17 |
1 |
859 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
19909 |
205.1 |
-3.3 |
0.534 |
2 |
0 |
0 |
0.034 |
67 |
|
[CDL]Q:502 |
17 |
1 |
862 |
f |
P |
x,y,z |
1_555 |
22 |
9 |
19775 |
203.3 |
-3.2 |
0.566 |
2 |
0 |
0 |
0.034 |
Average: |
204.2 |
-3.2 |
0.550 |
2 |
0 |
0 |
0.034 |
39 |
68 |
|
[BOG]D:502 |
18 |
1 |
529 |
◊ |
D |
x,y,z |
1_555 |
30 |
8 |
15708 |
203.5 |
2.2 |
0.169 |
3 |
0 |
0 |
0.000 |
40 |
69 |
|
[CDL]P:506 |
17 |
1 |
805 |
◊ |
T |
x,y,z |
1_555 |
30 |
7 |
8660 |
201.8 |
-2.2 |
0.676 |
2 |
0 |
0 |
0.023 |
70 |
|
[CDL]G:101 |
17 |
1 |
811 |
◊ |
G |
x,y,z |
1_555 |
29 |
7 |
8780 |
201.5 |
-2.2 |
0.675 |
2 |
0 |
0 |
0.023 |
Average: |
201.6 |
-2.2 |
0.675 |
2 |
0 |
0 |
0.023 |
41 |
71 |
|
[BOG]Q:503 |
18 |
1 |
529 |
◊ |
Q |
x,y,z |
1_555 |
30 |
8 |
15684 |
195.4 |
2.3 |
0.185 |
3 |
0 |
0 |
0.000 |
42 |
72 |
|
[CDL]Q:502 |
17 |
1 |
862 |
◊ |
Q |
x,y,z |
1_555 |
19 |
5 |
15684 |
182.8 |
-0.7 |
0.769 |
4 |
0 |
0 |
0.015 |
73 |
|
[CDL]C:505 |
18 |
1 |
859 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
15708 |
182.7 |
-0.6 |
0.788 |
4 |
0 |
0 |
0.015 |
Average: |
182.7 |
-0.7 |
0.779 |
4 |
0 |
0 |
0.015 |
43 |
74 |
|
A |
19 |
7 |
20296 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
4 |
5897 |
182.2 |
-0.6 |
0.553 |
1 |
0 |
0 |
0.000 |
44 |
75 |
|
J |
21 |
6 |
5783 |
◊ |
A |
x,y,z |
1_555 |
29 |
7 |
20296 |
176.9 |
0.2 |
0.686 |
4 |
0 |
0 |
0.011 |
76 |
|
W |
21 |
6 |
5584 |
◊ |
N |
x,y,z |
1_555 |
29 |
7 |
20209 |
173.1 |
0.2 |
0.692 |
4 |
0 |
0 |
0.011 |
Average: |
175.0 |
0.2 |
0.689 |
4 |
0 |
0 |
0.011 |
45 |
77 |
|
[CDL]G:101 |
19 |
1 |
811 |
f |
[PEE]C:506 |
x,y,z |
1_555 |
20 |
1 |
1157 |
176.1 |
-2.4 |
0.815 |
3 |
0 |
0 |
0.032 |
78 |
|
[CDL]P:506 |
19 |
1 |
805 |
f |
[PEE]P:507 |
x,y,z |
1_555 |
20 |
1 |
1152 |
173.9 |
-2.4 |
0.814 |
4 |
0 |
0 |
0.032 |
Average: |
175.0 |
-2.4 |
0.814 |
4 |
0 |
0 |
0.032 |
46 |
79 |
|
[CDL]G:101 |
17 |
1 |
811 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
19909 |
174.8 |
-2.2 |
0.639 |
2 |
0 |
0 |
0.025 |
80 |
|
[CDL]P:506 |
17 |
1 |
805 |
f |
P |
x,y,z |
1_555 |
22 |
8 |
19775 |
172.0 |
-2.1 |
0.632 |
2 |
0 |
0 |
0.025 |
Average: |
173.4 |
-2.1 |
0.635 |
2 |
0 |
0 |
0.025 |
47 |
81 |
|
[BOG]P:503 |
12 |
1 |
306 |
f |
P |
x,y,z |
1_555 |
28 |
8 |
19775 |
173.7 |
-0.1 |
0.588 |
2 |
0 |
0 |
0.007 |
48 |
82 |
|
[CDL]Q:502 |
16 |
1 |
862 |
◊ |
T |
x,y,z |
1_555 |
16 |
7 |
8660 |
158.2 |
-1.3 |
0.682 |
3 |
0 |
0 |
0.019 |
83 |
|
[CDL]C:505 |
16 |
1 |
859 |
◊ |
G |
x,y,z |
1_555 |
15 |
7 |
8780 |
150.1 |
-1.3 |
0.653 |
3 |
0 |
0 |
0.019 |
Average: |
154.1 |
-1.3 |
0.667 |
3 |
0 |
0 |
0.019 |
49 |
84 |
|
[PEE]E:502 |
17 |
1 |
1341 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
19909 |
155.9 |
-3.9 |
0.204 |
0 |
0 |
0 |
0.013 |
50 |
85 |
|
[PEE]R:502 |
18 |
1 |
1414 |
◊ |
Q |
x,y,z |
1_555 |
12 |
6 |
15684 |
153.7 |
-4.3 |
0.332 |
0 |
0 |
0 |
0.042 |
51 |
86 |
|
A |
21 |
4 |
20296 |
◊ |
R |
-x+1/2,-y+1,z-1/2 |
2_564 |
21 |
7 |
12904 |
147.7 |
-0.5 |
0.572 |
2 |
0 |
0 |
0.000 |
87 |
|
E |
20 |
6 |
13515 |
◊ |
N |
-x+1/2,-y+1,z-1/2 |
2_564 |
18 |
4 |
20209 |
145.8 |
-0.4 |
0.563 |
2 |
0 |
0 |
0.000 |
Average: |
146.7 |
-0.4 |
0.568 |
2 |
0 |
0 |
0.000 |
52 |
88 |
|
[GOL]P:508 |
6 |
1 |
223 |
f |
P |
x,y,z |
1_555 |
27 |
10 |
19775 |
147.3 |
-0.9 |
0.715 |
3 |
0 |
0 |
0.016 |
53 |
89 |
|
[GOL]C:508 |
6 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
29 |
8 |
19909 |
146.5 |
-0.9 |
0.706 |
2 |
0 |
0 |
0.013 |
54 |
90 |
|
[CDL]P:506 |
11 |
1 |
805 |
f |
[CDL]Q:502 |
x,y,z |
1_555 |
15 |
1 |
862 |
143.9 |
-0.3 |
0.809 |
1 |
0 |
0 |
0.006 |
91 |
|
[CDL]G:101 |
12 |
1 |
811 |
f |
[CDL]C:505 |
x,y,z |
1_555 |
14 |
1 |
859 |
136.7 |
-0.4 |
0.792 |
1 |
0 |
0 |
0.006 |
Average: |
140.3 |
-0.3 |
0.801 |
1 |
0 |
0 |
0.006 |
55 |
92 |
|
[PEE]C:506 |
13 |
1 |
1157 |
◊ |
G |
x,y,z |
1_555 |
14 |
5 |
8780 |
136.0 |
0.2 |
0.783 |
0 |
0 |
0 |
0.000 |
93 |
|
[PEE]P:507 |
13 |
1 |
1152 |
◊ |
T |
x,y,z |
1_555 |
14 |
5 |
8660 |
135.7 |
0.0 |
0.758 |
0 |
0 |
0 |
0.000 |
Average: |
135.8 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
56 |
94 |
|
[BOG]D:502 |
13 |
1 |
529 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
13515 |
129.5 |
2.4 |
0.267 |
0 |
0 |
0 |
0.000 |
57 |
95 |
|
[FES]R:501 |
4 |
1 |
234 |
f |
R |
x,y,z |
1_555 |
16 |
8 |
12904 |
123.4 |
-16.4 |
0.710 |
2 |
0 |
0 |
0.366 |
96 |
|
[FES]E:501 |
4 |
1 |
236 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
13515 |
121.8 |
-16.3 |
0.698 |
1 |
0 |
0 |
0.366 |
Average: |
122.6 |
-16.4 |
0.704 |
2 |
0 |
0 |
0.366 |
58 |
97 |
|
[PEE]E:502 |
16 |
1 |
1341 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
15708 |
121.1 |
-2.5 |
0.439 |
0 |
0 |
0 |
0.026 |
59 |
98 |
|
O |
17 |
5 |
18633 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
5 |
5897 |
120.7 |
0.4 |
0.658 |
1 |
0 |
0 |
0.000 |
60 |
99 |
|
[BOG]Q:503 |
12 |
1 |
529 |
◊ |
R |
x,y,z |
1_555 |
15 |
6 |
12904 |
120.0 |
2.3 |
0.326 |
0 |
0 |
0 |
0.000 |
61 |
100 |
|
F |
14 |
4 |
7754 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
5897 |
118.1 |
0.8 |
0.618 |
2 |
1 |
0 |
0.000 |
62 |
101 |
|
[PEE]C:507 |
8 |
1 |
584 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
20296 |
117.0 |
-1.2 |
0.579 |
1 |
0 |
0 |
0.012 |
63 |
102 |
|
[PEE]E:502 |
17 |
1 |
1341 |
◊ |
[PEE]C:507 |
x,y,z |
1_555 |
12 |
1 |
584 |
112.2 |
-1.6 |
0.849 |
0 |
0 |
0 |
0.005 |
64 |
103 |
|
A |
11 |
4 |
20296 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
8780 |
98.9 |
1.0 |
0.810 |
1 |
0 |
0 |
0.000 |
65 |
104 |
|
[BOG]Q:504 |
10 |
1 |
340 |
◊ |
Q |
x,y,z |
1_555 |
13 |
3 |
15684 |
94.1 |
2.1 |
0.613 |
0 |
0 |
0 |
0.000 |
66 |
105 |
|
[PEE]C:507 |
6 |
1 |
584 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
19909 |
93.4 |
-3.5 |
0.421 |
1 |
0 |
0 |
0.028 |
67 |
106 |
|
[BOG]D:503 |
11 |
1 |
338 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
15708 |
92.5 |
0.1 |
0.410 |
0 |
0 |
0 |
0.000 |
68 |
107 |
|
D |
9 |
2 |
15708 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
20296 |
87.8 |
-1.0 |
0.355 |
1 |
0 |
0 |
0.010 |
108 |
|
Q |
9 |
2 |
15684 |
◊ |
N |
x,y,z |
1_555 |
12 |
5 |
20209 |
86.2 |
-1.0 |
0.363 |
1 |
0 |
0 |
0.010 |
Average: |
87.0 |
-1.0 |
0.359 |
1 |
0 |
0 |
0.010 |
69 |
109 |
|
[CDL]Q:502 |
8 |
1 |
862 |
◊ |
S |
x,y,z |
1_555 |
8 |
3 |
7910 |
76.1 |
0.4 |
0.673 |
2 |
0 |
0 |
0.003 |
110 |
|
[CDL]C:505 |
8 |
1 |
859 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
7754 |
70.7 |
0.3 |
0.658 |
1 |
0 |
0 |
0.003 |
Average: |
73.4 |
0.3 |
0.666 |
2 |
0 |
0 |
0.003 |
70 |
111 |
|
[BOG]D:502 |
8 |
1 |
529 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
19909 |
69.7 |
0.7 |
0.221 |
2 |
0 |
0 |
0.002 |
71 |
112 |
|
[PEE]R:502 |
7 |
1 |
1414 |
◊ |
N |
x,y,z |
1_555 |
13 |
3 |
20209 |
68.4 |
-0.7 |
0.675 |
1 |
0 |
0 |
0.007 |
72 |
113 |
|
[UQ]P:505 |
14 |
1 |
496 |
f |
[HEM]P:502 |
x,y,z |
1_555 |
3 |
1 |
811 |
67.3 |
0.2 |
0.562 |
0 |
0 |
0 |
0.000 |
114 |
|
[UQ]C:504 |
14 |
1 |
494 |
f |
[HEM]C:502 |
x,y,z |
1_555 |
5 |
1 |
803 |
67.3 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
Average: |
67.3 |
0.2 |
0.650 |
0 |
0 |
0 |
0.000 |
73 |
115 |
|
[PEE]R:502 |
6 |
1 |
1414 |
◊ |
[BOG]Q:503 |
x,y,z |
1_555 |
8 |
1 |
529 |
62.2 |
1.6 |
0.411 |
0 |
0 |
0 |
0.000 |
74 |
116 |
|
[BOG]Q:503 |
8 |
1 |
529 |
f |
P |
x,y,z |
1_555 |
6 |
3 |
19775 |
61.3 |
0.7 |
0.222 |
1 |
0 |
0 |
0.000 |
75 |
117 |
|
[PEE]E:502 |
7 |
1 |
1341 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
20296 |
57.6 |
-0.5 |
0.657 |
1 |
0 |
0 |
0.007 |
76 |
118 |
|
[PEE]N:502 |
4 |
1 |
212 |
f |
N |
x,y,z |
1_555 |
7 |
3 |
20209 |
55.8 |
-3.2 |
0.731 |
1 |
0 |
0 |
0.106 |
77 |
119 |
|
B |
5 |
3 |
18756 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
8780 |
54.1 |
0.6 |
0.778 |
0 |
0 |
0 |
0.000 |
78 |
120 |
|
[BOG]D:503 |
8 |
1 |
338 |
◊ |
[BOG]D:502 |
x,y,z |
1_555 |
5 |
1 |
529 |
51.9 |
0.6 |
0.157 |
1 |
0 |
0 |
0.000 |
79 |
121 |
|
F |
5 |
3 |
7754 |
◊ |
N |
x,y,z |
1_555 |
4 |
2 |
20209 |
48.6 |
-0.4 |
0.391 |
1 |
0 |
0 |
0.005 |
122 |
|
S |
7 |
3 |
7910 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20296 |
48.3 |
-0.5 |
0.358 |
1 |
0 |
0 |
0.005 |
Average: |
48.5 |
-0.5 |
0.374 |
1 |
0 |
0 |
0.005 |
80 |
123 |
|
[BOG]Q:504 |
6 |
1 |
340 |
f |
[BOG]Q:503 |
x,y,z |
1_555 |
5 |
1 |
529 |
46.2 |
0.5 |
0.150 |
1 |
0 |
0 |
0.000 |
81 |
124 |
|
V |
4 |
2 |
4837 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
4902 |
42.8 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
82 |
125 |
|
[CDL]G:101 |
6 |
1 |
811 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
7754 |
41.3 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
126 |
|
[CDL]P:506 |
6 |
1 |
805 |
◊ |
S |
x,y,z |
1_555 |
4 |
1 |
7910 |
39.7 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
Average: |
40.5 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
83 |
127 |
|
[PEE]P:507 |
3 |
1 |
1152 |
◊ |
S |
x,y,z |
1_555 |
7 |
3 |
7910 |
40.6 |
1.3 |
0.841 |
0 |
0 |
0 |
0.000 |
128 |
|
[PEE]C:506 |
3 |
1 |
1157 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
7754 |
39.8 |
1.2 |
0.845 |
0 |
0 |
0 |
0.000 |
Average: |
40.2 |
1.3 |
0.843 |
0 |
0 |
0 |
0.000 |
84 |
129 |
|
W |
5 |
3 |
5584 |
◊ |
S |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
2 |
7910 |
40.4 |
1.2 |
0.878 |
0 |
0 |
0 |
0.000 |
85 |
130 |
|
[PEE]R:502 |
9 |
1 |
1414 |
◊ |
[PEE]N:502 |
x,y,z |
1_555 |
4 |
1 |
212 |
36.6 |
-2.5 |
0.938 |
0 |
0 |
0 |
0.016 |
86 |
131 |
|
[GOL]P:508 |
4 |
1 |
223 |
◊ |
Q |
x,y,z |
1_555 |
7 |
1 |
15684 |
35.7 |
-0.7 |
0.513 |
0 |
0 |
0 |
0.004 |
87 |
132 |
|
[GOL]C:508 |
4 |
1 |
223 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
15708 |
34.1 |
-0.2 |
0.614 |
0 |
0 |
0 |
0.001 |
88 |
133 |
|
[PEE]N:502 |
3 |
1 |
212 |
◊ |
P |
x,y,z |
1_555 |
4 |
2 |
19775 |
34.0 |
-1.8 |
0.865 |
1 |
0 |
0 |
0.017 |
89 |
134 |
|
I |
4 |
2 |
4902 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
8780 |
29.6 |
0.5 |
0.852 |
1 |
0 |
0 |
0.000 |
90 |
135 |
|
D |
4 |
2 |
15708 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
5897 |
28.0 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
91 |
136 |
|
[BOG]Q:503 |
7 |
1 |
529 |
◊ |
W |
x,y,z |
1_555 |
3 |
3 |
5584 |
27.9 |
0.6 |
0.207 |
1 |
0 |
0 |
0.000 |
92 |
137 |
|
[PEE]E:502 |
4 |
1 |
1341 |
◊ |
[BOG]D:502 |
x,y,z |
1_555 |
2 |
1 |
529 |
22.0 |
0.8 |
0.634 |
0 |
0 |
0 |
0.000 |
93 |
138 |
|
[BOG]D:502 |
3 |
1 |
529 |
◊ |
J |
x,y,z |
1_555 |
3 |
3 |
5783 |
21.6 |
0.6 |
0.415 |
0 |
0 |
0 |
0.000 |
94 |
139 |
|
[WF3]P:504 |
1 |
1 |
679 |
f |
[HEM]P:501 |
x,y,z |
1_555 |
1 |
1 |
790 |
16.6 |
0.3 |
0.557 |
0 |
0 |
0 |
0.000 |
140 |
|
[WF3]C:503 |
1 |
1 |
678 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
1 |
1 |
788 |
16.1 |
0.3 |
0.557 |
0 |
0 |
0 |
0.000 |
Average: |
16.4 |
0.3 |
0.557 |
0 |
0 |
0 |
0.000 |
95 |
141 |
|
[BOG]D:503 |
3 |
1 |
338 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19909 |
16.2 |
0.6 |
0.740 |
0 |
0 |
0 |
0.000 |
96 |
142 |
|
C |
3 |
1 |
19909 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
15708 |
14.5 |
0.4 |
0.884 |
0 |
0 |
0 |
0.000 |
97 |
143 |
|
[PEE]C:507 |
1 |
1 |
584 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
5783 |
10.8 |
-0.3 |
0.411 |
0 |
0 |
0 |
0.001 |
98 |
144 |
|
[BOG]D:503 |
2 |
1 |
338 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
5783 |
10.7 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
99 |
145 |
|
[BOG]Q:504 |
3 |
1 |
340 |
f |
P |
x,y,z |
1_555 |
1 |
1 |
19775 |
9.8 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
100 |
146 |
|
R |
1 |
1 |
12904 |
◊ |
S |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
7910 |
9.2 |
0.7 |
0.926 |
0 |
0 |
0 |
0.000 |
101 |
147 |
|
F |
1 |
1 |
7754 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20296 |
5.6 |
0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
148 |
|
S |
1 |
1 |
7910 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
20209 |
4.5 |
0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
102 |
149 |
|
R |
2 |
2 |
12904 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15708 |
5.2 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
150 |
|
E |
1 |
1 |
13515 |
◊ |
Q |
x,y,z |
1_555 |
2 |
1 |
15684 |
2.7 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
Average: |
3.9 |
0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
103 |
151 |
|
[BOG]Q:504 |
2 |
1 |
340 |
◊ |
W |
x,y,z |
1_555 |
2 |
2 |
5584 |
4.3 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
104 |
152 |
|
W |
1 |
1 |
5584 |
◊ |
U |
x,y,z |
1_555 |
2 |
1 |
5565 |
2.7 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
105 |
153 |
|
[GOL]C:508 |
1 |
1 |
223 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
1 |
1 |
788 |
2.5 |
-0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
106 |
154 |
|
S |
1 |
1 |
7910 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
12904 |
2.1 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
155 |
|
F |
1 |
1 |
7754 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
13515 |
2.0 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
Average: |
2.1 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
107 |
156 |
|
[HEM]P:501 |
1 |
1 |
790 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19909 |
1.1 |
-0.0 |
0.776 |
0 |
0 |
0 |
0.000 |
157 |
|
[HEM]C:501 |
1 |
1 |
788 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
19775 |
1.0 |
-0.0 |
0.786 |
0 |
0 |
0 |
0.000 |
Average: |
1.0 |
-0.0 |
0.781 |
0 |
0 |
0 |
0.000 |
108 |
158 |
|
I |
1 |
1 |
4902 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
18633 |
0.4 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
|