## |
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 |
|
H |
376 |
107 |
21117 |
◊ |
G |
x,y,z |
1_555 |
380 |
106 |
21267 |
3750.1 |
-21.1 |
0.454 |
65 |
26 |
0 |
0.616 |
2 |
|
F |
379 |
106 |
21137 |
◊ |
E |
x,y,z |
1_555 |
378 |
105 |
21169 |
3737.6 |
-19.5 |
0.512 |
68 |
25 |
0 |
0.616 |
3 |
|
B |
375 |
107 |
21016 |
◊ |
A |
x,y,z |
1_555 |
376 |
105 |
21015 |
3724.4 |
-20.4 |
0.507 |
70 |
24 |
0 |
0.616 |
4 |
|
D |
377 |
106 |
21072 |
◊ |
C |
x,y,z |
1_555 |
370 |
105 |
20907 |
3723.8 |
-19.8 |
0.560 |
70 |
26 |
0 |
0.616 |
Average: |
3734.0 |
-20.2 |
0.508 |
68 |
25 |
0 |
0.616 |
2 |
5 |
|
G |
101 |
27 |
21267 |
◊ |
E |
x,y,z |
1_555 |
101 |
27 |
21169 |
913.6 |
-15.1 |
0.052 |
0 |
0 |
0 |
0.412 |
6 |
|
C |
98 |
26 |
20907 |
◊ |
A |
x,y,z |
1_555 |
100 |
27 |
21015 |
906.8 |
-15.7 |
0.045 |
0 |
0 |
0 |
0.412 |
7 |
|
H |
99 |
26 |
21117 |
◊ |
F |
x,y,z |
1_555 |
98 |
28 |
21137 |
901.3 |
-15.4 |
0.042 |
0 |
0 |
0 |
0.412 |
8 |
|
D |
99 |
26 |
21072 |
◊ |
B |
x,y,z |
1_555 |
99 |
26 |
21016 |
900.4 |
-15.5 |
0.044 |
0 |
0 |
0 |
0.412 |
Average: |
905.5 |
-15.4 |
0.046 |
0 |
0 |
0 |
0.412 |
3 |
9 |
|
D |
92 |
29 |
21072 |
◊ |
A |
x,y,z |
1_555 |
90 |
28 |
21015 |
892.1 |
-9.6 |
0.229 |
8 |
4 |
0 |
0.110 |
10 |
|
H |
92 |
28 |
21117 |
◊ |
E |
x,y,z |
1_555 |
90 |
28 |
21169 |
888.6 |
-9.6 |
0.215 |
8 |
4 |
0 |
0.110 |
11 |
|
G |
91 |
28 |
21267 |
◊ |
F |
x,y,z |
1_555 |
94 |
28 |
21137 |
885.7 |
-9.4 |
0.217 |
7 |
4 |
0 |
0.110 |
12 |
|
C |
88 |
28 |
20907 |
◊ |
B |
x,y,z |
1_555 |
90 |
28 |
21016 |
882.3 |
-9.3 |
0.224 |
8 |
4 |
0 |
0.110 |
Average: |
887.2 |
-9.5 |
0.221 |
8 |
4 |
0 |
0.110 |
4 |
13 |
|
F |
71 |
21 |
21137 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
21015 |
664.0 |
-3.5 |
0.544 |
7 |
0 |
0 |
0.000 |
14 |
|
E |
72 |
20 |
21169 |
◊ |
B |
x,y,z |
1_555 |
76 |
26 |
21016 |
631.4 |
-4.5 |
0.457 |
6 |
0 |
0 |
0.000 |
Average: |
647.7 |
-4.0 |
0.500 |
7 |
0 |
0 |
0.000 |
5 |
15 |
|
[NAD]D:601 |
43 |
1 |
849 |
f |
D |
x,y,z |
1_555 |
73 |
32 |
21072 |
562.2 |
-9.0 |
0.295 |
9 |
0 |
0 |
0.680 |
16 |
|
[NAD]C:601 |
43 |
1 |
851 |
f |
C |
x,y,z |
1_555 |
74 |
32 |
20907 |
561.9 |
-9.1 |
0.299 |
9 |
0 |
0 |
0.680 |
17 |
|
[NAD]H:601 |
43 |
1 |
853 |
f |
H |
x,y,z |
1_555 |
74 |
32 |
21117 |
561.0 |
-9.1 |
0.288 |
9 |
0 |
0 |
0.680 |
18 |
|
[NAD]A:601 |
42 |
1 |
849 |
f |
A |
x,y,z |
1_555 |
75 |
33 |
21015 |
560.5 |
-8.9 |
0.304 |
9 |
0 |
0 |
0.680 |
19 |
|
[NAD]E:601 |
43 |
1 |
848 |
f |
E |
x,y,z |
1_555 |
74 |
33 |
21169 |
559.9 |
-9.0 |
0.294 |
9 |
0 |
0 |
0.680 |
20 |
|
[NAD]G:601 |
43 |
1 |
850 |
f |
G |
x,y,z |
1_555 |
73 |
32 |
21267 |
559.4 |
-9.0 |
0.273 |
9 |
0 |
0 |
0.680 |
21 |
|
[NAD]F:601 |
43 |
1 |
853 |
f |
F |
x,y,z |
1_555 |
74 |
32 |
21137 |
558.9 |
-8.9 |
0.287 |
9 |
0 |
0 |
0.680 |
22 |
|
[NAD]B:601 |
43 |
1 |
850 |
f |
B |
x,y,z |
1_555 |
74 |
32 |
21016 |
558.7 |
-9.1 |
0.284 |
9 |
0 |
0 |
0.680 |
Average: |
560.3 |
-9.0 |
0.291 |
9 |
0 |
0 |
0.680 |
6 |
23 |
|
B |
43 |
16 |
21016 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
51 |
16 |
21117 |
427.3 |
-1.0 |
0.657 |
5 |
2 |
0 |
0.000 |
24 |
|
A |
48 |
15 |
21015 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
46 |
15 |
21267 |
415.4 |
0.1 |
0.665 |
4 |
0 |
0 |
0.000 |
25 |
|
D |
49 |
15 |
21072 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
38 |
14 |
21137 |
411.0 |
-2.4 |
0.504 |
5 |
1 |
0 |
0.000 |
26 |
|
G |
39 |
13 |
21267 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
32 |
14 |
21015 |
283.2 |
0.1 |
0.716 |
3 |
2 |
0 |
0.000 |
Average: |
384.2 |
-0.8 |
0.635 |
4 |
1 |
0 |
0.000 |
7 |
27 |
|
E |
45 |
15 |
21169 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
58 |
19 |
20907 |
421.5 |
0.6 |
0.760 |
6 |
1 |
0 |
0.000 |
28 |
|
C |
38 |
13 |
20907 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
45 |
15 |
21169 |
288.4 |
2.3 |
0.878 |
4 |
3 |
0 |
0.000 |
Average: |
355.0 |
1.4 |
0.819 |
5 |
2 |
0 |
0.000 |
8 |
29 |
|
C |
42 |
12 |
20907 |
◊ |
G |
x,y-1,z |
1_545 |
38 |
11 |
21267 |
352.7 |
-1.4 |
0.599 |
2 |
0 |
0 |
0.000 |
9 |
30 |
|
[PG4]H:602 |
13 |
1 |
398 |
f |
H |
x,y,z |
1_555 |
41 |
16 |
21117 |
282.9 |
6.1 |
0.432 |
2 |
0 |
0 |
0.000 |
10 |
31 |
|
B |
31 |
11 |
21016 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
33 |
9 |
21117 |
257.7 |
0.7 |
0.748 |
3 |
4 |
0 |
0.000 |
11 |
32 |
|
[1PE]C:603 |
16 |
1 |
469 |
f |
C |
x,y,z |
1_555 |
35 |
9 |
20907 |
238.5 |
2.4 |
0.844 |
6 |
0 |
0 |
0.013 |
33 |
|
[1PE]G:603 |
16 |
1 |
456 |
f |
G |
x,y,z |
1_555 |
33 |
10 |
21267 |
235.5 |
2.1 |
0.837 |
5 |
0 |
0 |
0.013 |
34 |
|
[1PE]E:604 |
16 |
1 |
463 |
f |
E |
x,y,z |
1_555 |
32 |
9 |
21169 |
234.8 |
1.7 |
0.820 |
5 |
0 |
0 |
0.013 |
35 |
|
[1PE]B:603 |
16 |
1 |
459 |
f |
B |
x,y,z |
1_555 |
34 |
10 |
21016 |
233.5 |
1.8 |
0.834 |
5 |
0 |
0 |
0.013 |
36 |
|
[1PE]H:604 |
13 |
1 |
407 |
f |
H |
x,y,z |
1_555 |
31 |
10 |
21117 |
214.7 |
2.0 |
0.697 |
4 |
0 |
0 |
0.013 |
37 |
|
[1PE]A:603 |
10 |
1 |
331 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
21015 |
175.2 |
3.0 |
0.745 |
4 |
0 |
0 |
0.013 |
Average: |
222.0 |
2.2 |
0.796 |
5 |
0 |
0 |
0.013 |
12 |
38 |
|
[PGE]A:602 |
10 |
1 |
327 |
f |
A |
x,y,z |
1_555 |
39 |
15 |
21015 |
235.9 |
5.2 |
0.415 |
1 |
0 |
0 |
0.000 |
39 |
|
[PGE]C:602 |
10 |
1 |
326 |
f |
C |
x,y,z |
1_555 |
39 |
14 |
20907 |
232.5 |
5.3 |
0.422 |
1 |
0 |
0 |
0.000 |
40 |
|
[PGE]F:602 |
10 |
1 |
331 |
f |
F |
x,y,z |
1_555 |
39 |
15 |
21137 |
231.2 |
5.5 |
0.403 |
1 |
0 |
0 |
0.000 |
41 |
|
[PGE]G:602 |
10 |
1 |
328 |
f |
G |
x,y,z |
1_555 |
40 |
15 |
21267 |
223.1 |
4.6 |
0.329 |
0 |
0 |
0 |
0.000 |
Average: |
230.7 |
5.2 |
0.392 |
1 |
0 |
0 |
0.000 |
13 |
42 |
|
[PGE]B:602 |
10 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
40 |
15 |
21016 |
235.9 |
5.7 |
0.446 |
0 |
0 |
0 |
0.000 |
43 |
|
[PGE]E:602 |
10 |
1 |
326 |
f |
E |
x,y,z |
1_555 |
39 |
14 |
21169 |
224.8 |
4.2 |
0.315 |
0 |
0 |
0 |
0.000 |
44 |
|
[PGE]D:602 |
10 |
1 |
326 |
f |
D |
x,y,z |
1_555 |
38 |
15 |
21072 |
222.5 |
4.8 |
0.355 |
0 |
0 |
0 |
0.000 |
Average: |
227.7 |
4.9 |
0.372 |
0 |
0 |
0 |
0.000 |
14 |
45 |
|
[1PE]F:603 |
13 |
1 |
406 |
f |
F |
x,y,z |
1_555 |
31 |
11 |
21137 |
210.5 |
2.1 |
0.719 |
5 |
0 |
0 |
0.002 |
15 |
46 |
|
[1PE]D:603 |
13 |
1 |
394 |
f |
D |
x,y,z |
1_555 |
30 |
10 |
21072 |
208.8 |
2.2 |
0.731 |
2 |
0 |
0 |
0.000 |
16 |
47 |
|
A |
18 |
6 |
21015 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
19 |
6 |
21169 |
168.5 |
4.0 |
0.957 |
1 |
0 |
0 |
0.000 |
17 |
48 |
|
[PGE]H:603 |
9 |
1 |
337 |
◊ |
H |
x,y,z |
1_555 |
23 |
9 |
21117 |
141.1 |
3.3 |
0.268 |
1 |
0 |
0 |
0.000 |
18 |
49 |
|
[PEG]E:603 |
7 |
1 |
256 |
◊ |
E |
x,y,z |
1_555 |
21 |
8 |
21169 |
126.3 |
2.4 |
0.304 |
1 |
0 |
0 |
0.000 |
19 |
50 |
|
B |
13 |
6 |
21016 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
11 |
4 |
21267 |
114.3 |
-0.2 |
0.595 |
2 |
0 |
0 |
0.000 |
51 |
|
C |
10 |
4 |
20907 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
9 |
3 |
21137 |
92.6 |
0.9 |
0.798 |
2 |
0 |
0 |
0.000 |
52 |
|
B |
11 |
3 |
21016 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
10 |
3 |
21267 |
81.2 |
-0.9 |
0.447 |
0 |
0 |
0 |
0.000 |
Average: |
96.0 |
-0.1 |
0.613 |
1 |
0 |
0 |
0.000 |
20 |
53 |
|
[EDO]G:605 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
18 |
8 |
21267 |
107.3 |
3.5 |
0.476 |
0 |
0 |
0 |
0.000 |
21 |
54 |
|
[EDO]C:605 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
20907 |
106.5 |
3.7 |
0.493 |
1 |
0 |
0 |
0.000 |
22 |
55 |
|
[EDO]C:604 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
20907 |
89.3 |
1.9 |
0.252 |
1 |
0 |
0 |
0.000 |
23 |
56 |
|
[EDO]G:604 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
15 |
5 |
21267 |
87.6 |
2.3 |
0.444 |
3 |
0 |
0 |
0.000 |
24 |
57 |
|
[EDO]H:605 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
21117 |
86.2 |
1.9 |
0.256 |
1 |
0 |
0 |
0.000 |
25 |
58 |
|
B |
8 |
3 |
21016 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
4 |
21267 |
76.1 |
-0.8 |
0.442 |
0 |
0 |
0 |
0.000 |
26 |
59 |
|
[EDO]F:604 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
11 |
7 |
21137 |
74.0 |
1.4 |
0.710 |
3 |
0 |
0 |
0.000 |
27 |
60 |
|
H |
10 |
3 |
21117 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
8 |
2 |
21016 |
70.6 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
61 |
|
B |
5 |
3 |
21016 |
◊ |
H |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
21117 |
25.6 |
0.8 |
0.822 |
0 |
0 |
0 |
0.000 |
Average: |
48.1 |
0.4 |
0.739 |
0 |
0 |
0 |
0.000 |
28 |
62 |
|
[EDO]D:604 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
21016 |
62.3 |
1.3 |
0.674 |
0 |
0 |
0 |
0.000 |
29 |
63 |
|
B |
8 |
4 |
21016 |
f |
[PGE]H:603 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
337 |
60.8 |
1.9 |
0.402 |
2 |
0 |
0 |
0.000 |
30 |
64 |
|
[CL]A:604 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
21016 |
51.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.345 |
65 |
|
[CL]E:605 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
21137 |
51.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.345 |
66 |
|
[CL]D:606 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
20907 |
51.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.345 |
67 |
|
[CL]D:605 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
21072 |
50.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.345 |
68 |
|
[CL]G:607 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
21267 |
50.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.345 |
69 |
|
[CL]G:606 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
21117 |
49.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.345 |
70 |
|
[CL]A:605 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21015 |
49.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.345 |
71 |
|
[CL]E:606 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
21169 |
49.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.345 |
Average: |
50.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.345 |
31 |
72 |
|
[EDO]D:604 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
21072 |
51.0 |
1.1 |
0.788 |
1 |
0 |
0 |
0.000 |
32 |
73 |
|
[CL]G:606 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
11 |
3 |
21267 |
48.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.140 |
74 |
|
[CL]A:605 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
21016 |
47.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.140 |
75 |
|
[CL]D:605 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
20907 |
47.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.140 |
76 |
|
[CL]E:606 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
21137 |
47.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.140 |
77 |
|
[CL]G:607 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
10 |
2 |
21117 |
47.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.140 |
78 |
|
[CL]E:605 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
21169 |
47.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.140 |
79 |
|
[CL]A:604 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
21015 |
46.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.140 |
80 |
|
[CL]D:606 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
21072 |
46.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
47.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.140 |
33 |
81 |
|
H |
6 |
4 |
21117 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
8 |
3 |
21015 |
46.6 |
0.5 |
0.622 |
0 |
0 |
0 |
0.000 |
34 |
82 |
|
[EDO]F:604 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
21117 |
45.4 |
0.3 |
0.445 |
0 |
0 |
0 |
0.000 |
35 |
83 |
|
[MG]E:607 |
1 |
1 |
98 |
f |
[NAD]E:601 |
x,y,z |
1_555 |
4 |
1 |
848 |
42.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.126 |
84 |
|
[MG]F:605 |
1 |
1 |
98 |
f |
[NAD]F:601 |
x,y,z |
1_555 |
4 |
1 |
853 |
41.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.126 |
85 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
[NAD]B:601 |
x,y,z |
1_555 |
4 |
1 |
850 |
41.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.126 |
Average: |
41.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.126 |
36 |
86 |
|
F |
5 |
2 |
21137 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
20907 |
33.8 |
-0.7 |
0.388 |
0 |
0 |
0 |
0.000 |
87 |
|
D |
1 |
1 |
21072 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
21169 |
4.4 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
Average: |
19.1 |
-0.3 |
0.458 |
0 |
0 |
0 |
0.000 |
37 |
88 |
|
D |
6 |
4 |
21072 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
4 |
21169 |
32.0 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
38 |
89 |
|
D |
3 |
1 |
21072 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
4 |
21137 |
31.8 |
-0.4 |
0.344 |
0 |
0 |
0 |
0.000 |
39 |
90 |
|
[PGE]G:602 |
4 |
1 |
328 |
f |
[NAD]G:601 |
x,y,z |
1_555 |
4 |
1 |
850 |
26.5 |
0.6 |
0.240 |
0 |
0 |
0 |
0.000 |
91 |
|
[PGE]F:602 |
3 |
1 |
331 |
f |
[NAD]F:601 |
x,y,z |
1_555 |
3 |
1 |
853 |
25.6 |
0.6 |
0.291 |
0 |
0 |
0 |
0.000 |
92 |
|
[PGE]A:602 |
2 |
1 |
327 |
f |
[NAD]A:601 |
x,y,z |
1_555 |
4 |
1 |
849 |
24.9 |
0.7 |
0.389 |
0 |
0 |
0 |
0.000 |
93 |
|
[PGE]C:602 |
3 |
1 |
326 |
f |
[NAD]C:601 |
x,y,z |
1_555 |
4 |
1 |
851 |
24.1 |
0.6 |
0.296 |
0 |
0 |
0 |
0.000 |
Average: |
25.3 |
0.6 |
0.304 |
0 |
0 |
0 |
0.000 |
40 |
94 |
|
[PGE]D:602 |
3 |
1 |
326 |
f |
[NAD]D:601 |
x,y,z |
1_555 |
4 |
1 |
849 |
25.2 |
0.6 |
0.316 |
0 |
0 |
0 |
0.000 |
95 |
|
[PGE]B:602 |
3 |
1 |
327 |
f |
[NAD]B:601 |
x,y,z |
1_555 |
4 |
1 |
850 |
23.7 |
0.5 |
0.273 |
0 |
0 |
0 |
0.000 |
96 |
|
[PGE]E:602 |
5 |
1 |
326 |
f |
[NAD]E:601 |
x,y,z |
1_555 |
3 |
1 |
848 |
19.1 |
0.5 |
0.172 |
0 |
0 |
0 |
0.000 |
Average: |
22.7 |
0.5 |
0.254 |
0 |
0 |
0 |
0.000 |
41 |
97 |
|
[PG4]H:602 |
4 |
1 |
398 |
f |
[NAD]H:601 |
x,y,z |
1_555 |
4 |
1 |
853 |
24.9 |
0.6 |
0.346 |
0 |
0 |
0 |
0.000 |
42 |
98 |
|
[EDO]F:604 |
2 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
21169 |
24.9 |
0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
43 |
99 |
|
F |
2 |
2 |
21137 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
21016 |
19.8 |
0.9 |
0.895 |
0 |
0 |
0 |
0.000 |
44 |
100 |
|
D |
1 |
1 |
21072 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
21117 |
16.6 |
-0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
45 |
101 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
21016 |
16.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
102 |
|
[MG]F:605 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
21137 |
15.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.037 |
103 |
|
[MG]E:607 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
21169 |
14.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
15.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.037 |
46 |
104 |
|
E |
2 |
1 |
21169 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21015 |
12.6 |
0.6 |
0.874 |
0 |
0 |
0 |
0.000 |
47 |
105 |
|
[PEG]E:603 |
1 |
1 |
256 |
f |
C |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
20907 |
8.3 |
0.1 |
0.369 |
0 |
0 |
0 |
0.000 |
48 |
106 |
|
E |
3 |
1 |
21169 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
21072 |
7.4 |
0.1 |
0.708 |
0 |
0 |
0 |
0.000 |
49 |
107 |
|
[1PE]F:603 |
2 |
1 |
406 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
21169 |
7.3 |
-0.2 |
0.546 |
0 |
0 |
0 |
0.002 |
108 |
|
[1PE]B:603 |
2 |
1 |
459 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21015 |
5.1 |
-0.1 |
0.598 |
0 |
0 |
0 |
0.002 |
109 |
|
[1PE]E:604 |
1 |
1 |
463 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
21137 |
2.9 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.002 |
110 |
|
[1PE]G:603 |
1 |
1 |
456 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
21117 |
2.1 |
-0.1 |
0.473 |
0 |
0 |
0 |
0.002 |
111 |
|
[1PE]H:604 |
1 |
1 |
407 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
21267 |
1.8 |
-0.1 |
0.498 |
0 |
0 |
0 |
0.002 |
112 |
|
[1PE]C:603 |
1 |
1 |
469 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
21072 |
1.4 |
-0.0 |
0.496 |
0 |
0 |
0 |
0.002 |
113 |
|
[1PE]A:603 |
1 |
1 |
331 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21016 |
1.3 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.002 |
Average: |
3.1 |
-0.1 |
0.516 |
0 |
0 |
0 |
0.002 |
50 |
114 |
|
D |
1 |
1 |
21072 |
◊ |
H |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
21117 |
6.9 |
0.2 |
0.782 |
0 |
0 |
0 |
0.000 |
51 |
115 |
|
C |
1 |
1 |
20907 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
21267 |
5.7 |
-0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
52 |
116 |
|
D |
1 |
1 |
21072 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
21267 |
4.5 |
0.1 |
0.803 |
0 |
0 |
0 |
0.000 |
53 |
117 |
|
C |
1 |
1 |
20907 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
21137 |
2.1 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
|