| ## |
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 |
|
X |
89 |
21 |
12139 |
◊ |
V |
x,y,z |
1_555 |
67 |
21 |
11885 |
732.2 |
-11.0 |
0.059 |
5 |
4 |
0 |
0.138 |
2 |
|
I |
86 |
21 |
12077 |
◊ |
G |
x,y,z |
1_555 |
68 |
22 |
12020 |
731.8 |
-6.5 |
0.134 |
6 |
4 |
0 |
0.138 |
3 |
|
U |
86 |
22 |
12021 |
◊ |
S |
x,y,z |
1_555 |
65 |
21 |
11979 |
712.0 |
-9.4 |
0.062 |
6 |
4 |
0 |
0.138 |
4 |
|
C |
89 |
22 |
12148 |
◊ |
A |
x,y,z |
1_555 |
66 |
21 |
12053 |
710.5 |
-8.1 |
0.100 |
6 |
4 |
0 |
0.138 |
5 |
|
L |
87 |
22 |
12115 |
◊ |
J |
x,y,z |
1_555 |
64 |
21 |
12020 |
705.4 |
-8.0 |
0.090 |
5 |
4 |
0 |
0.138 |
6 |
|
R |
86 |
22 |
12144 |
◊ |
P |
x,y,z |
1_555 |
67 |
21 |
11990 |
704.8 |
-9.3 |
0.072 |
5 |
4 |
0 |
0.138 |
7 |
|
F |
86 |
21 |
12122 |
◊ |
D |
x,y,z |
1_555 |
64 |
21 |
11922 |
704.4 |
-8.8 |
0.084 |
5 |
4 |
0 |
0.138 |
8 |
|
O |
87 |
22 |
12110 |
◊ |
M |
x,y,z |
1_555 |
64 |
21 |
11997 |
703.7 |
-8.7 |
0.082 |
5 |
4 |
0 |
0.138 |
| Average: |
713.1 |
-8.7 |
0.085 |
5 |
4 |
0 |
0.138 |
| 2 |
9 |
|
V |
76 |
23 |
11885 |
◊ |
S |
x,y,z |
1_555 |
72 |
22 |
11979 |
622.2 |
-2.9 |
0.528 |
5 |
2 |
0 |
0.000 |
10 |
|
D |
69 |
22 |
11922 |
◊ |
P |
x-1,y-1,z |
1_445 |
70 |
22 |
11990 |
621.6 |
-3.0 |
0.521 |
3 |
3 |
0 |
0.000 |
11 |
|
H |
55 |
20 |
12151 |
◊ |
N |
x-1,y-1,z |
1_445 |
59 |
22 |
12274 |
530.7 |
-5.6 |
0.262 |
2 |
1 |
0 |
0.000 |
12 |
|
B |
55 |
20 |
12093 |
◊ |
K |
x-1,y,z |
1_455 |
57 |
21 |
12141 |
518.2 |
-3.3 |
0.445 |
4 |
2 |
0 |
0.000 |
| Average: |
573.2 |
-3.7 |
0.439 |
4 |
2 |
0 |
0.000 |
| 3 |
13 |
|
[NAP]H:301 |
48 |
1 |
912 |
f |
H |
x,y,z |
1_555 |
73 |
28 |
12151 |
601.9 |
-1.5 |
0.575 |
10 |
0 |
0 |
0.210 |
14 |
|
[NAP]D:302 |
45 |
1 |
912 |
f |
D |
x,y,z |
1_555 |
77 |
29 |
11922 |
599.9 |
-1.1 |
0.605 |
14 |
0 |
0 |
0.210 |
15 |
|
[NAP]P:301 |
45 |
1 |
909 |
f |
P |
x,y,z |
1_555 |
77 |
29 |
11990 |
599.2 |
-1.2 |
0.611 |
14 |
0 |
0 |
0.210 |
16 |
|
[NAP]A:301 |
45 |
1 |
910 |
f |
A |
x,y,z |
1_555 |
77 |
29 |
12053 |
598.8 |
-1.1 |
0.602 |
14 |
0 |
0 |
0.210 |
17 |
|
[NAP]B:301 |
48 |
1 |
910 |
f |
B |
x,y,z |
1_555 |
68 |
28 |
12093 |
597.9 |
-1.5 |
0.549 |
10 |
0 |
0 |
0.210 |
18 |
|
[NAP]M:301 |
45 |
1 |
909 |
f |
M |
x,y,z |
1_555 |
77 |
29 |
11997 |
597.6 |
-1.2 |
0.589 |
14 |
0 |
0 |
0.210 |
19 |
|
[NAP]G:301 |
45 |
1 |
908 |
f |
G |
x,y,z |
1_555 |
76 |
29 |
12020 |
597.1 |
-1.3 |
0.593 |
14 |
0 |
0 |
0.210 |
20 |
|
[NAP]J:301 |
45 |
1 |
907 |
f |
J |
x,y,z |
1_555 |
78 |
29 |
12020 |
596.8 |
-1.3 |
0.582 |
14 |
0 |
0 |
0.210 |
21 |
|
[NAP]R:301 |
48 |
1 |
908 |
f |
R |
x,y,z |
1_555 |
74 |
29 |
12144 |
596.7 |
-1.2 |
0.599 |
11 |
0 |
0 |
0.210 |
22 |
|
[NAP]V:301 |
46 |
1 |
904 |
f |
V |
x,y,z |
1_555 |
79 |
31 |
11885 |
596.6 |
-1.2 |
0.619 |
13 |
0 |
0 |
0.210 |
23 |
|
[NAP]I:301 |
47 |
1 |
909 |
f |
I |
x,y,z |
1_555 |
73 |
30 |
12077 |
596.5 |
-1.3 |
0.593 |
11 |
0 |
0 |
0.210 |
24 |
|
[NAP]C:301 |
47 |
1 |
907 |
f |
C |
x,y,z |
1_555 |
73 |
28 |
12148 |
596.5 |
-1.4 |
0.573 |
10 |
0 |
0 |
0.210 |
25 |
|
[NAP]K:301 |
48 |
1 |
910 |
f |
K |
x,y,z |
1_555 |
73 |
28 |
12141 |
596.4 |
-1.3 |
0.569 |
10 |
0 |
0 |
0.210 |
26 |
|
[NAP]X:301 |
48 |
1 |
901 |
f |
X |
x,y,z |
1_555 |
73 |
29 |
12139 |
595.1 |
-1.8 |
0.570 |
10 |
0 |
0 |
0.210 |
27 |
|
[NAP]O:301 |
47 |
1 |
910 |
f |
O |
x,y,z |
1_555 |
69 |
29 |
12110 |
594.1 |
-1.2 |
0.591 |
11 |
0 |
0 |
0.210 |
28 |
|
[NAP]N:301 |
48 |
1 |
907 |
f |
N |
x,y,z |
1_555 |
74 |
29 |
12274 |
593.9 |
-1.2 |
0.579 |
10 |
0 |
0 |
0.210 |
29 |
|
[NAP]L:301 |
47 |
1 |
907 |
f |
L |
x,y,z |
1_555 |
75 |
28 |
12115 |
593.7 |
-1.0 |
0.606 |
11 |
0 |
0 |
0.210 |
30 |
|
[NAP]S:301 |
45 |
1 |
905 |
f |
S |
x,y,z |
1_555 |
73 |
29 |
11979 |
593.3 |
-1.2 |
0.595 |
12 |
0 |
0 |
0.210 |
31 |
|
[NAP]U:301 |
48 |
1 |
902 |
f |
U |
x,y,z |
1_555 |
72 |
28 |
12021 |
592.6 |
-1.5 |
0.577 |
10 |
0 |
0 |
0.210 |
| Average: |
596.6 |
-1.3 |
0.588 |
12 |
0 |
0 |
0.210 |
| 4 |
32 |
|
[NAP]T:301 |
48 |
1 |
909 |
f |
T |
x,y,z |
1_555 |
73 |
28 |
12103 |
596.6 |
-1.5 |
0.554 |
10 |
0 |
0 |
0.133 |
33 |
|
[NAP]F:301 |
47 |
1 |
909 |
f |
F |
x,y,z |
1_555 |
70 |
29 |
12122 |
595.7 |
-1.7 |
0.533 |
10 |
0 |
0 |
0.133 |
34 |
|
[NAP]Q:301 |
48 |
1 |
910 |
f |
Q |
x,y,z |
1_555 |
71 |
27 |
12161 |
594.8 |
-1.5 |
0.572 |
10 |
0 |
0 |
0.133 |
35 |
|
[NAP]W:301 |
48 |
1 |
902 |
f |
W |
x,y,z |
1_555 |
76 |
29 |
12171 |
593.5 |
-1.5 |
0.548 |
10 |
0 |
0 |
0.133 |
36 |
|
[NAP]E:301 |
48 |
1 |
905 |
f |
E |
x,y,z |
1_555 |
74 |
29 |
12040 |
590.4 |
-1.5 |
0.563 |
11 |
0 |
0 |
0.133 |
| Average: |
594.2 |
-1.5 |
0.554 |
10 |
0 |
0 |
0.133 |
| 5 |
37 |
|
T |
51 |
16 |
12103 |
◊ |
S |
x,y,z |
1_555 |
66 |
20 |
11979 |
557.4 |
-7.3 |
0.103 |
6 |
4 |
0 |
0.115 |
38 |
|
Q |
52 |
16 |
12161 |
◊ |
P |
x,y,z |
1_555 |
63 |
20 |
11990 |
548.6 |
-5.7 |
0.197 |
5 |
4 |
0 |
0.115 |
39 |
|
H |
52 |
16 |
12151 |
◊ |
G |
x,y,z |
1_555 |
62 |
19 |
12020 |
548.2 |
-5.5 |
0.206 |
6 |
4 |
0 |
0.115 |
40 |
|
B |
51 |
16 |
12093 |
◊ |
A |
x,y,z |
1_555 |
62 |
19 |
12053 |
546.7 |
-5.6 |
0.182 |
6 |
4 |
0 |
0.115 |
41 |
|
W |
52 |
16 |
12171 |
◊ |
V |
x,y,z |
1_555 |
69 |
20 |
11885 |
546.0 |
-6.5 |
0.117 |
5 |
4 |
0 |
0.115 |
42 |
|
E |
50 |
16 |
12040 |
◊ |
D |
x,y,z |
1_555 |
66 |
20 |
11922 |
544.0 |
-5.6 |
0.174 |
5 |
4 |
0 |
0.115 |
43 |
|
N |
51 |
16 |
12274 |
◊ |
M |
x,y,z |
1_555 |
64 |
19 |
11997 |
542.8 |
-7.0 |
0.142 |
5 |
4 |
0 |
0.115 |
44 |
|
K |
51 |
16 |
12141 |
◊ |
J |
x,y,z |
1_555 |
60 |
19 |
12020 |
542.7 |
-6.0 |
0.140 |
5 |
4 |
0 |
0.115 |
| Average: |
547.0 |
-6.2 |
0.158 |
5 |
4 |
0 |
0.115 |
| 6 |
45 |
|
R |
51 |
16 |
12144 |
◊ |
Q |
x,y,z |
1_555 |
64 |
19 |
12161 |
550.2 |
-6.4 |
0.123 |
5 |
4 |
0 |
0.124 |
46 |
|
U |
50 |
17 |
12021 |
◊ |
T |
x,y,z |
1_555 |
61 |
19 |
12103 |
543.6 |
-8.1 |
0.107 |
6 |
4 |
0 |
0.124 |
47 |
|
F |
48 |
16 |
12122 |
◊ |
E |
x,y,z |
1_555 |
63 |
19 |
12040 |
543.4 |
-5.8 |
0.112 |
5 |
4 |
0 |
0.124 |
48 |
|
I |
51 |
16 |
12077 |
◊ |
H |
x,y,z |
1_555 |
63 |
20 |
12151 |
543.3 |
-6.1 |
0.140 |
6 |
4 |
0 |
0.124 |
49 |
|
C |
52 |
16 |
12148 |
◊ |
B |
x,y,z |
1_555 |
62 |
19 |
12093 |
543.0 |
-5.0 |
0.203 |
6 |
4 |
0 |
0.124 |
50 |
|
L |
51 |
16 |
12115 |
◊ |
K |
x,y,z |
1_555 |
63 |
19 |
12141 |
541.9 |
-5.6 |
0.188 |
5 |
4 |
0 |
0.124 |
51 |
|
O |
51 |
16 |
12110 |
◊ |
N |
x,y,z |
1_555 |
59 |
18 |
12274 |
540.8 |
-4.9 |
0.204 |
6 |
4 |
0 |
0.124 |
52 |
|
X |
51 |
16 |
12139 |
◊ |
W |
x,y,z |
1_555 |
63 |
18 |
12171 |
540.3 |
-6.7 |
0.155 |
7 |
4 |
0 |
0.124 |
| Average: |
543.3 |
-6.1 |
0.154 |
6 |
4 |
0 |
0.124 |
| 7 |
53 |
|
F |
42 |
13 |
12122 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
12053 |
395.6 |
2.0 |
0.804 |
2 |
1 |
0 |
0.000 |
| 8 |
54 |
|
[H4M]N:302 |
36 |
1 |
884 |
f |
N |
x,y,z |
1_555 |
51 |
18 |
12274 |
383.7 |
-1.8 |
0.492 |
6 |
0 |
0 |
0.047 |
55 |
|
[H4M]K:302 |
37 |
1 |
892 |
f |
K |
x,y,z |
1_555 |
50 |
18 |
12141 |
379.8 |
-2.0 |
0.497 |
5 |
0 |
0 |
0.047 |
| Average: |
381.7 |
-1.9 |
0.494 |
6 |
0 |
0 |
0.047 |
| 9 |
56 |
|
[H4M]H:302 |
35 |
1 |
870 |
◊ |
H |
x,y,z |
1_555 |
46 |
18 |
12151 |
354.5 |
-2.4 |
0.323 |
4 |
0 |
0 |
0.043 |
| 10 |
57 |
|
[H4M]U:302 |
35 |
1 |
868 |
f |
U |
x,y,z |
1_555 |
46 |
18 |
12021 |
353.6 |
-1.8 |
0.377 |
2 |
0 |
0 |
0.029 |
| 11 |
58 |
|
[H4M]V:302 |
31 |
1 |
893 |
f |
V |
x,y,z |
1_555 |
47 |
18 |
11885 |
349.6 |
-3.4 |
0.316 |
3 |
0 |
0 |
0.047 |
| 12 |
59 |
|
[H4M]B:302 |
34 |
1 |
878 |
◊ |
B |
x,y,z |
1_555 |
48 |
18 |
12093 |
347.7 |
-0.5 |
0.489 |
5 |
0 |
0 |
0.030 |
| 13 |
60 |
|
[H4M]D:301 |
29 |
1 |
892 |
◊ |
D |
x,y,z |
1_555 |
44 |
16 |
11922 |
343.6 |
-2.2 |
0.312 |
4 |
0 |
0 |
0.048 |
61 |
|
[H4M]P:302 |
29 |
1 |
882 |
◊ |
P |
x,y,z |
1_555 |
43 |
16 |
11990 |
334.5 |
-2.8 |
0.322 |
4 |
0 |
0 |
0.048 |
62 |
|
[H4M]M:302 |
29 |
1 |
893 |
◊ |
M |
x,y,z |
1_555 |
45 |
16 |
11997 |
333.9 |
-2.6 |
0.326 |
4 |
0 |
0 |
0.048 |
63 |
|
[H4M]G:302 |
29 |
1 |
873 |
◊ |
G |
x,y,z |
1_555 |
43 |
16 |
12020 |
332.2 |
-2.5 |
0.314 |
4 |
0 |
0 |
0.048 |
| Average: |
336.1 |
-2.5 |
0.318 |
4 |
0 |
0 |
0.048 |
| 14 |
64 |
|
[H4M]F:302 |
35 |
1 |
873 |
f |
F |
x,y,z |
1_555 |
45 |
16 |
12122 |
341.1 |
-3.5 |
0.317 |
4 |
0 |
0 |
0.057 |
| 15 |
65 |
|
[H4M]S:302 |
28 |
1 |
886 |
◊ |
S |
x,y,z |
1_555 |
46 |
17 |
11979 |
334.9 |
-2.5 |
0.336 |
3 |
0 |
0 |
0.042 |
66 |
|
[H4M]W:302 |
28 |
1 |
882 |
◊ |
W |
x,y,z |
1_555 |
43 |
17 |
12171 |
288.4 |
0.1 |
0.447 |
5 |
0 |
0 |
0.042 |
67 |
|
[H4M]E:302 |
28 |
1 |
889 |
◊ |
E |
x,y,z |
1_555 |
43 |
16 |
12040 |
287.2 |
0.1 |
0.434 |
3 |
0 |
0 |
0.042 |
| Average: |
303.5 |
-0.8 |
0.406 |
4 |
0 |
0 |
0.042 |
| 16 |
68 |
|
[H4M]J:302 |
30 |
1 |
896 |
◊ |
J |
x,y,z |
1_555 |
44 |
17 |
12020 |
334.1 |
-2.7 |
0.316 |
4 |
0 |
0 |
0.048 |
| 17 |
69 |
|
[H4M]O:302 |
32 |
1 |
887 |
f |
O |
x,y,z |
1_555 |
41 |
15 |
12110 |
331.3 |
-2.2 |
0.310 |
4 |
0 |
0 |
0.042 |
| 18 |
70 |
|
[H4M]A:302 |
30 |
1 |
890 |
f |
A |
x,y,z |
1_555 |
45 |
17 |
12053 |
330.0 |
-2.3 |
0.339 |
4 |
0 |
0 |
0.045 |
| 19 |
71 |
|
[H4M]Q:302 |
35 |
1 |
906 |
f |
Q |
x,y,z |
1_555 |
44 |
16 |
12161 |
328.5 |
-1.6 |
0.437 |
3 |
0 |
0 |
0.030 |
| 20 |
72 |
|
[H4M]I:302 |
32 |
1 |
897 |
f |
I |
x,y,z |
1_555 |
41 |
15 |
12077 |
321.7 |
-1.5 |
0.317 |
6 |
0 |
0 |
0.043 |
| 21 |
73 |
|
[H4M]L:302 |
30 |
1 |
892 |
f |
L |
x,y,z |
1_555 |
44 |
17 |
12115 |
311.8 |
-0.3 |
0.517 |
4 |
0 |
0 |
0.022 |
| 22 |
74 |
|
[H4M]X:302 |
31 |
1 |
891 |
◊ |
X |
x,y,z |
1_555 |
43 |
17 |
12139 |
310.5 |
-1.5 |
0.394 |
2 |
0 |
0 |
0.023 |
| 23 |
75 |
|
W |
30 |
13 |
12171 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
12093 |
305.4 |
-2.6 |
0.349 |
2 |
0 |
0 |
0.000 |
76 |
|
H |
36 |
12 |
12151 |
◊ |
Q |
x,y-1,z+1 |
1_546 |
28 |
13 |
12161 |
293.4 |
-1.7 |
0.450 |
1 |
0 |
0 |
0.000 |
77 |
|
E |
27 |
13 |
12040 |
◊ |
N |
x-1,y-1,z-1 |
1_444 |
29 |
10 |
12274 |
270.2 |
-2.2 |
0.354 |
1 |
0 |
0 |
0.000 |
78 |
|
T |
23 |
12 |
12103 |
◊ |
K |
x,y,z |
1_555 |
25 |
10 |
12141 |
235.2 |
-2.2 |
0.346 |
1 |
0 |
0 |
0.000 |
| Average: |
276.0 |
-2.2 |
0.375 |
1 |
0 |
0 |
0.000 |
| 24 |
79 |
|
[H4M]R:302 |
31 |
1 |
887 |
f |
R |
x,y,z |
1_555 |
36 |
14 |
12144 |
303.1 |
-1.7 |
0.300 |
3 |
0 |
0 |
0.032 |
| 25 |
80 |
|
C |
28 |
10 |
12148 |
◊ |
R |
x-1,y,z |
1_455 |
37 |
11 |
12144 |
296.5 |
5.2 |
0.949 |
5 |
6 |
0 |
0.000 |
| 26 |
81 |
|
[H4M]C:302 |
27 |
1 |
897 |
◊ |
C |
x,y,z |
1_555 |
42 |
16 |
12148 |
295.7 |
-0.4 |
0.375 |
3 |
0 |
0 |
0.019 |
82 |
|
[H4M]T:302 |
27 |
1 |
885 |
◊ |
T |
x,y,z |
1_555 |
41 |
14 |
12103 |
287.1 |
0.1 |
0.433 |
3 |
0 |
0 |
0.019 |
| Average: |
291.4 |
-0.2 |
0.404 |
3 |
0 |
0 |
0.019 |
| 27 |
83 |
|
T |
32 |
10 |
12103 |
◊ |
M |
x,y,z |
1_555 |
26 |
9 |
11997 |
295.3 |
3.6 |
0.904 |
4 |
3 |
0 |
0.000 |
| 28 |
84 |
|
Q |
33 |
10 |
12161 |
◊ |
F |
x,y,z |
1_555 |
29 |
12 |
12122 |
289.8 |
0.1 |
0.667 |
3 |
1 |
0 |
0.000 |
85 |
|
L |
34 |
11 |
12115 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
13 |
12053 |
289.4 |
-1.1 |
0.545 |
2 |
2 |
0 |
0.000 |
86 |
|
R |
30 |
12 |
12144 |
◊ |
E |
x,y,z |
1_555 |
30 |
10 |
12040 |
286.0 |
-0.3 |
0.630 |
3 |
3 |
0 |
0.000 |
87 |
|
J |
33 |
12 |
12020 |
◊ |
C |
x,y-1,z |
1_545 |
32 |
11 |
12148 |
284.9 |
-1.0 |
0.546 |
2 |
1 |
0 |
0.000 |
88 |
|
O |
34 |
11 |
12110 |
◊ |
G |
x,y,z |
1_555 |
32 |
12 |
12020 |
284.4 |
-1.0 |
0.561 |
2 |
1 |
0 |
0.000 |
89 |
|
M |
33 |
12 |
11997 |
◊ |
I |
x,y,z |
1_555 |
31 |
11 |
12077 |
283.6 |
-1.0 |
0.550 |
2 |
1 |
0 |
0.000 |
90 |
|
W |
29 |
11 |
12171 |
◊ |
U |
x-1,y-1,z |
1_445 |
30 |
12 |
12021 |
281.2 |
-0.8 |
0.550 |
2 |
2 |
0 |
0.000 |
91 |
|
X |
28 |
11 |
12139 |
◊ |
T |
x-1,y-1,z |
1_445 |
29 |
10 |
12103 |
264.6 |
-0.7 |
0.561 |
2 |
2 |
0 |
0.000 |
| Average: |
283.0 |
-0.7 |
0.576 |
2 |
2 |
0 |
0.000 |
| 29 |
92 |
|
[H4M]D:301 |
27 |
1 |
892 |
f |
F |
x,y,z |
1_555 |
39 |
11 |
12122 |
260.3 |
-3.6 |
0.406 |
3 |
0 |
0 |
0.052 |
93 |
|
[H4M]P:302 |
28 |
1 |
882 |
f |
R |
x,y,z |
1_555 |
41 |
11 |
12144 |
258.2 |
-3.4 |
0.446 |
2 |
0 |
0 |
0.052 |
94 |
|
[H4M]G:302 |
29 |
1 |
873 |
f |
I |
x,y,z |
1_555 |
36 |
11 |
12077 |
249.6 |
-3.4 |
0.364 |
3 |
0 |
0 |
0.052 |
95 |
|
[H4M]M:302 |
28 |
1 |
893 |
f |
O |
x,y,z |
1_555 |
33 |
11 |
12110 |
241.9 |
-2.8 |
0.462 |
4 |
0 |
0 |
0.052 |
| Average: |
252.5 |
-3.3 |
0.419 |
3 |
0 |
0 |
0.052 |
| 30 |
96 |
|
[H4M]J:302 |
28 |
1 |
896 |
f |
L |
x,y,z |
1_555 |
36 |
11 |
12115 |
245.6 |
-3.6 |
0.407 |
3 |
0 |
0 |
0.052 |
| 31 |
97 |
|
H |
29 |
10 |
12151 |
◊ |
M |
x,y-1,z |
1_545 |
27 |
7 |
11997 |
234.9 |
0.2 |
0.596 |
5 |
1 |
0 |
0.000 |
98 |
|
J |
26 |
7 |
12020 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
12093 |
233.3 |
0.4 |
0.623 |
5 |
1 |
0 |
0.000 |
99 |
|
G |
26 |
7 |
12020 |
◊ |
N |
x,y-1,z |
1_545 |
28 |
9 |
12274 |
230.8 |
0.3 |
0.611 |
5 |
0 |
0 |
0.000 |
100 |
|
K |
30 |
10 |
12141 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
12053 |
230.3 |
0.2 |
0.591 |
5 |
0 |
0 |
0.000 |
| Average: |
232.3 |
0.3 |
0.605 |
5 |
1 |
0 |
0.000 |
| 32 |
101 |
|
[H4M]V:302 |
26 |
1 |
893 |
◊ |
X |
x,y,z |
1_555 |
37 |
11 |
12139 |
232.7 |
-3.0 |
0.411 |
2 |
0 |
0 |
0.038 |
| 33 |
102 |
|
W |
26 |
8 |
12171 |
◊ |
G |
x-1,y,z |
1_455 |
25 |
10 |
12020 |
225.3 |
1.7 |
0.762 |
3 |
1 |
0 |
0.000 |
| 34 |
103 |
|
[H4M]W:302 |
21 |
1 |
882 |
f |
V |
x,y,z |
1_555 |
27 |
8 |
11885 |
188.0 |
-5.9 |
0.309 |
1 |
0 |
0 |
0.063 |
104 |
|
[H4M]E:302 |
21 |
1 |
889 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
11922 |
146.2 |
-2.0 |
0.481 |
1 |
0 |
0 |
0.063 |
105 |
|
[H4M]T:302 |
20 |
1 |
885 |
f |
S |
x,y,z |
1_555 |
21 |
7 |
11979 |
133.1 |
-1.9 |
0.496 |
0 |
0 |
0 |
0.063 |
| Average: |
155.8 |
-3.3 |
0.429 |
1 |
0 |
0 |
0.063 |
| 35 |
106 |
|
[H4M]A:302 |
23 |
1 |
890 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
12148 |
184.2 |
-1.5 |
0.530 |
1 |
0 |
0 |
0.035 |
107 |
|
[H4M]L:302 |
19 |
1 |
892 |
◊ |
K |
x,y,z |
1_555 |
19 |
6 |
12141 |
139.0 |
-2.8 |
0.462 |
1 |
0 |
0 |
0.035 |
| Average: |
161.6 |
-2.2 |
0.496 |
1 |
0 |
0 |
0.035 |
| 36 |
108 |
|
[H4M]X:302 |
24 |
1 |
891 |
f |
W |
x,y,z |
1_555 |
22 |
6 |
12171 |
182.9 |
-3.6 |
0.262 |
0 |
0 |
0 |
0.035 |
| 37 |
109 |
|
[H4M]S:302 |
22 |
1 |
886 |
f |
U |
x,y,z |
1_555 |
30 |
10 |
12021 |
181.7 |
-1.2 |
0.536 |
2 |
0 |
0 |
0.023 |
| 38 |
110 |
|
[H4M]H:302 |
21 |
1 |
870 |
f |
G |
x,y,z |
1_555 |
22 |
6 |
12020 |
175.0 |
-5.0 |
0.239 |
1 |
0 |
0 |
0.056 |
| 39 |
111 |
|
J |
20 |
7 |
12020 |
◊ |
D |
x,y,z |
1_555 |
23 |
6 |
11922 |
162.6 |
2.4 |
0.861 |
2 |
1 |
0 |
0.000 |
| 40 |
112 |
|
Q |
15 |
7 |
12161 |
◊ |
P |
x-1,y,z |
1_455 |
22 |
10 |
11990 |
160.4 |
0.6 |
0.706 |
0 |
0 |
0 |
0.000 |
113 |
|
W |
18 |
6 |
12171 |
◊ |
V |
x-1,y,z |
1_455 |
15 |
6 |
11885 |
129.1 |
0.8 |
0.736 |
1 |
0 |
0 |
0.000 |
114 |
|
D |
15 |
5 |
11922 |
◊ |
E |
x-1,y,z |
1_455 |
16 |
6 |
12040 |
123.0 |
-0.5 |
0.568 |
0 |
0 |
0 |
0.000 |
115 |
|
S |
14 |
4 |
11979 |
◊ |
T |
x-1,y,z |
1_455 |
18 |
6 |
12103 |
117.0 |
-0.6 |
0.546 |
0 |
0 |
0 |
0.000 |
| Average: |
132.4 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
| 41 |
116 |
|
[H4M]R:302 |
17 |
1 |
887 |
◊ |
Q |
x,y,z |
1_555 |
22 |
6 |
12161 |
151.0 |
-2.7 |
0.370 |
0 |
0 |
0 |
0.028 |
| 42 |
117 |
|
[H4M]B:302 |
19 |
1 |
878 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
12053 |
148.0 |
-4.5 |
0.360 |
2 |
0 |
0 |
0.059 |
| 43 |
118 |
|
B |
17 |
7 |
12093 |
◊ |
L |
x-1,y,z |
1_455 |
15 |
7 |
12115 |
145.1 |
0.0 |
0.618 |
2 |
1 |
0 |
0.000 |
119 |
|
H |
17 |
7 |
12151 |
◊ |
O |
x-1,y-1,z |
1_445 |
16 |
7 |
12110 |
137.7 |
0.2 |
0.649 |
2 |
1 |
0 |
0.000 |
120 |
|
I |
12 |
5 |
12077 |
◊ |
N |
x-1,y-1,z |
1_445 |
16 |
6 |
12274 |
133.1 |
0.1 |
0.603 |
2 |
1 |
0 |
0.000 |
121 |
|
C |
12 |
6 |
12148 |
◊ |
K |
x-1,y,z |
1_455 |
17 |
7 |
12141 |
129.6 |
0.1 |
0.612 |
2 |
1 |
0 |
0.000 |
122 |
|
D |
13 |
4 |
11922 |
◊ |
Q |
x-1,y-1,z |
1_445 |
8 |
2 |
12161 |
113.0 |
-0.3 |
0.536 |
1 |
0 |
0 |
0.000 |
123 |
|
V |
12 |
5 |
11885 |
◊ |
T |
x,y,z |
1_555 |
9 |
3 |
12103 |
105.0 |
-0.0 |
0.588 |
1 |
0 |
0 |
0.000 |
124 |
|
W |
8 |
2 |
12171 |
◊ |
S |
x,y,z |
1_555 |
11 |
4 |
11979 |
84.2 |
-0.7 |
0.325 |
0 |
0 |
0 |
0.000 |
125 |
|
E |
8 |
3 |
12040 |
◊ |
P |
x-1,y-1,z |
1_445 |
10 |
4 |
11990 |
82.9 |
-0.6 |
0.333 |
0 |
0 |
0 |
0.000 |
| Average: |
116.3 |
-0.2 |
0.533 |
1 |
1 |
0 |
0.000 |
| 44 |
126 |
|
[H4M]Q:302 |
17 |
1 |
906 |
◊ |
P |
x,y,z |
1_555 |
23 |
7 |
11990 |
137.4 |
-1.6 |
0.526 |
1 |
0 |
0 |
0.022 |
| 45 |
127 |
|
X |
21 |
7 |
12139 |
◊ |
U |
x,y-1,z |
1_545 |
14 |
6 |
12021 |
127.6 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
128 |
|
F |
9 |
3 |
12122 |
◊ |
R |
x-1,y,z |
1_455 |
11 |
5 |
12144 |
105.0 |
-1.2 |
0.361 |
1 |
1 |
0 |
0.000 |
| Average: |
116.3 |
-0.6 |
0.505 |
1 |
1 |
0 |
0.000 |
| 46 |
129 |
|
[H4M]F:302 |
15 |
1 |
873 |
◊ |
E |
x,y,z |
1_555 |
17 |
4 |
12040 |
127.6 |
-1.2 |
0.459 |
1 |
0 |
0 |
0.017 |
| 47 |
130 |
|
[H4M]I:302 |
18 |
1 |
897 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
12151 |
126.1 |
-1.8 |
0.492 |
0 |
0 |
0 |
0.019 |
| 48 |
131 |
|
[H4M]O:302 |
17 |
1 |
887 |
◊ |
N |
x,y,z |
1_555 |
18 |
4 |
12274 |
125.0 |
-1.8 |
0.468 |
0 |
0 |
0 |
0.019 |
| 49 |
132 |
|
W |
14 |
4 |
12171 |
◊ |
T |
x-1,y,z |
1_455 |
15 |
4 |
12103 |
119.7 |
2.2 |
0.871 |
3 |
0 |
0 |
0.000 |
133 |
|
E |
9 |
4 |
12040 |
◊ |
Q |
x,y-1,z |
1_545 |
12 |
4 |
12161 |
114.6 |
2.1 |
0.896 |
2 |
0 |
0 |
0.000 |
| Average: |
117.2 |
2.2 |
0.884 |
3 |
0 |
0 |
0.000 |
| 50 |
134 |
|
X |
14 |
5 |
12139 |
◊ |
M |
x-1,y-1,z |
1_445 |
15 |
4 |
11997 |
119.6 |
1.3 |
0.790 |
1 |
1 |
0 |
0.000 |
| 51 |
135 |
|
[H4M]C:302 |
16 |
1 |
897 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
12093 |
117.4 |
-1.6 |
0.523 |
0 |
0 |
0 |
0.017 |
| 52 |
136 |
|
[H4M]S:302 |
18 |
1 |
886 |
◊ |
[NAP]S:301 |
x,y,z |
1_555 |
12 |
1 |
905 |
108.2 |
-2.0 |
0.444 |
0 |
0 |
0 |
0.021 |
| 53 |
137 |
|
[H4M]P:302 |
19 |
1 |
882 |
◊ |
[NAP]P:301 |
x,y,z |
1_555 |
12 |
1 |
909 |
107.9 |
-1.9 |
0.456 |
0 |
0 |
0 |
0.020 |
138 |
|
[H4M]D:301 |
19 |
1 |
892 |
◊ |
[NAP]D:302 |
x,y,z |
1_555 |
12 |
1 |
912 |
107.3 |
-1.9 |
0.437 |
0 |
0 |
0 |
0.020 |
139 |
|
[H4M]G:302 |
19 |
1 |
873 |
◊ |
[NAP]G:301 |
x,y,z |
1_555 |
12 |
1 |
908 |
105.9 |
-1.9 |
0.452 |
0 |
0 |
0 |
0.020 |
140 |
|
[H4M]M:302 |
19 |
1 |
893 |
◊ |
[NAP]M:301 |
x,y,z |
1_555 |
12 |
1 |
909 |
105.8 |
-1.9 |
0.447 |
0 |
0 |
0 |
0.020 |
| Average: |
106.7 |
-1.9 |
0.448 |
0 |
0 |
0 |
0.020 |
| 54 |
141 |
|
[H4M]N:302 |
13 |
1 |
884 |
◊ |
M |
x,y,z |
1_555 |
18 |
4 |
11997 |
107.7 |
-1.7 |
0.491 |
0 |
0 |
0 |
0.020 |
142 |
|
[H4M]K:302 |
13 |
1 |
892 |
◊ |
J |
x,y,z |
1_555 |
19 |
4 |
12020 |
107.3 |
-1.9 |
0.478 |
0 |
0 |
0 |
0.020 |
| Average: |
107.5 |
-1.8 |
0.485 |
0 |
0 |
0 |
0.020 |
| 55 |
143 |
|
[H4M]V:302 |
19 |
1 |
893 |
f |
[NAP]V:301 |
x,y,z |
1_555 |
12 |
1 |
904 |
106.7 |
-1.8 |
0.443 |
0 |
0 |
0 |
0.018 |
| 56 |
144 |
|
[H4M]A:302 |
19 |
1 |
890 |
f |
[NAP]A:301 |
x,y,z |
1_555 |
12 |
1 |
910 |
106.6 |
-1.9 |
0.451 |
0 |
0 |
0 |
0.021 |
| 57 |
145 |
|
[H4M]J:302 |
19 |
1 |
896 |
◊ |
[NAP]J:301 |
x,y,z |
1_555 |
12 |
1 |
907 |
105.9 |
-1.9 |
0.447 |
0 |
0 |
0 |
0.021 |
| 58 |
146 |
|
[H4M]X:302 |
12 |
1 |
891 |
◊ |
[NAP]X:301 |
x,y,z |
1_555 |
10 |
1 |
901 |
90.0 |
-0.9 |
0.549 |
0 |
0 |
0 |
0.009 |
| 59 |
147 |
|
[H4M]H:302 |
13 |
1 |
870 |
◊ |
[NAP]H:301 |
x,y,z |
1_555 |
10 |
1 |
912 |
88.3 |
-0.9 |
0.525 |
0 |
0 |
0 |
0.009 |
| 60 |
148 |
|
[H4M]U:302 |
14 |
1 |
868 |
f |
[NAP]U:301 |
x,y,z |
1_555 |
9 |
1 |
902 |
87.1 |
-0.6 |
0.592 |
1 |
0 |
0 |
0.012 |
| 61 |
149 |
|
[H4M]U:302 |
14 |
1 |
868 |
◊ |
T |
x,y,z |
1_555 |
13 |
4 |
12103 |
86.7 |
-0.7 |
0.563 |
1 |
0 |
0 |
0.013 |
| 62 |
150 |
|
[H4M]N:302 |
14 |
1 |
884 |
f |
[NAP]N:301 |
x,y,z |
1_555 |
10 |
1 |
907 |
86.1 |
-0.7 |
0.573 |
0 |
0 |
0 |
0.008 |
151 |
|
[H4M]K:302 |
13 |
1 |
892 |
f |
[NAP]K:301 |
x,y,z |
1_555 |
9 |
1 |
910 |
85.1 |
-0.6 |
0.562 |
0 |
0 |
0 |
0.008 |
| Average: |
85.6 |
-0.7 |
0.567 |
0 |
0 |
0 |
0.008 |
| 63 |
152 |
|
[H4M]L:302 |
13 |
1 |
892 |
f |
[NAP]L:301 |
x,y,z |
1_555 |
9 |
1 |
907 |
85.6 |
-0.5 |
0.588 |
1 |
0 |
0 |
0.010 |
| 64 |
153 |
|
[H4M]R:302 |
11 |
1 |
887 |
f |
[NAP]R:301 |
x,y,z |
1_555 |
9 |
1 |
908 |
85.1 |
-0.8 |
0.539 |
0 |
0 |
0 |
0.008 |
| 65 |
154 |
|
[H4M]B:302 |
15 |
1 |
878 |
◊ |
[NAP]B:301 |
x,y,z |
1_555 |
9 |
1 |
910 |
85.1 |
-0.7 |
0.552 |
0 |
0 |
0 |
0.008 |
| 66 |
155 |
|
S |
7 |
3 |
11979 |
◊ |
M |
x,y,z |
1_555 |
10 |
5 |
11997 |
83.8 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
| 67 |
156 |
|
[H4M]F:302 |
12 |
1 |
873 |
f |
[NAP]F:301 |
x,y,z |
1_555 |
9 |
1 |
909 |
82.4 |
-0.5 |
0.595 |
1 |
0 |
0 |
0.010 |
| 68 |
157 |
|
[H4M]I:302 |
13 |
1 |
897 |
f |
[NAP]I:301 |
x,y,z |
1_555 |
8 |
1 |
909 |
81.8 |
-0.5 |
0.593 |
0 |
0 |
0 |
0.005 |
| 69 |
158 |
|
[H4M]C:302 |
14 |
1 |
897 |
◊ |
[NAP]C:301 |
x,y,z |
1_555 |
8 |
1 |
907 |
80.3 |
-0.4 |
0.603 |
0 |
0 |
0 |
0.004 |
159 |
|
[H4M]T:302 |
11 |
1 |
885 |
◊ |
[NAP]T:301 |
x,y,z |
1_555 |
9 |
1 |
909 |
78.2 |
-0.4 |
0.585 |
0 |
0 |
0 |
0.004 |
| Average: |
79.2 |
-0.4 |
0.594 |
0 |
0 |
0 |
0.004 |
| 70 |
160 |
|
J |
6 |
2 |
12020 |
◊ |
E |
x,y,z |
1_555 |
16 |
8 |
12040 |
80.2 |
0.3 |
0.701 |
1 |
0 |
0 |
0.000 |
| 71 |
161 |
|
[H4M]Q:302 |
12 |
1 |
906 |
f |
[NAP]Q:301 |
x,y,z |
1_555 |
9 |
1 |
910 |
79.4 |
-0.4 |
0.605 |
1 |
0 |
0 |
0.009 |
| 72 |
162 |
|
D |
10 |
6 |
11922 |
◊ |
H |
x-1,y,z-1 |
1_454 |
12 |
6 |
12151 |
78.7 |
1.0 |
0.779 |
1 |
1 |
0 |
0.000 |
163 |
|
S |
8 |
5 |
11979 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
12093 |
66.3 |
0.5 |
0.692 |
0 |
1 |
0 |
0.000 |
164 |
|
V |
3 |
1 |
11885 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
12141 |
21.2 |
0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
165 |
|
P |
2 |
1 |
11990 |
◊ |
N |
x,y,z-1 |
1_554 |
2 |
1 |
12274 |
12.6 |
0.4 |
0.770 |
0 |
0 |
0 |
0.000 |
| Average: |
44.7 |
0.6 |
0.764 |
0 |
1 |
0 |
0.000 |
| 73 |
166 |
|
[H4M]O:302 |
11 |
1 |
887 |
f |
[NAP]O:301 |
x,y,z |
1_555 |
9 |
1 |
910 |
78.4 |
-0.4 |
0.596 |
0 |
0 |
0 |
0.004 |
| 74 |
167 |
|
[H4M]W:302 |
13 |
1 |
882 |
◊ |
[NAP]W:301 |
x,y,z |
1_555 |
9 |
1 |
902 |
78.4 |
-0.3 |
0.611 |
0 |
0 |
0 |
0.003 |
168 |
|
[H4M]E:302 |
14 |
1 |
889 |
◊ |
[NAP]E:301 |
x,y,z |
1_555 |
9 |
1 |
905 |
77.9 |
-0.3 |
0.620 |
0 |
0 |
0 |
0.003 |
| Average: |
78.1 |
-0.3 |
0.616 |
0 |
0 |
0 |
0.003 |
| 75 |
169 |
|
[NAP]T:301 |
6 |
1 |
909 |
◊ |
K |
x,y,z |
1_555 |
10 |
4 |
12141 |
75.6 |
1.2 |
0.681 |
2 |
0 |
0 |
0.000 |
170 |
|
H |
10 |
4 |
12151 |
◊ |
[NAP]Q:301 |
x,y-1,z+1 |
1_546 |
6 |
1 |
910 |
75.6 |
1.1 |
0.681 |
2 |
0 |
0 |
0.000 |
171 |
|
[NAP]E:301 |
6 |
1 |
905 |
◊ |
N |
x-1,y-1,z-1 |
1_444 |
10 |
4 |
12274 |
75.0 |
1.1 |
0.679 |
2 |
0 |
0 |
0.000 |
172 |
|
[NAP]W:301 |
6 |
1 |
902 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12093 |
74.2 |
1.2 |
0.687 |
2 |
0 |
0 |
0.000 |
| Average: |
75.1 |
1.1 |
0.682 |
2 |
0 |
0 |
0.000 |
| 76 |
173 |
|
G |
12 |
9 |
12020 |
◊ |
U |
x,y-1,z |
1_545 |
13 |
6 |
12021 |
73.5 |
1.5 |
0.831 |
0 |
0 |
0 |
0.000 |
| 77 |
174 |
|
H |
7 |
3 |
12151 |
◊ |
[H4M]O:302 |
x-1,y-1,z |
1_445 |
9 |
1 |
887 |
65.2 |
-0.7 |
0.560 |
0 |
0 |
0 |
0.000 |
| 78 |
175 |
|
G |
7 |
2 |
12020 |
◊ |
[H4M]U:302 |
x,y-1,z |
1_545 |
8 |
1 |
868 |
61.6 |
-0.6 |
0.613 |
0 |
0 |
0 |
0.000 |
| 79 |
176 |
|
B |
8 |
4 |
12093 |
◊ |
R |
x-1,y,z |
1_455 |
9 |
4 |
12144 |
58.6 |
0.8 |
0.766 |
0 |
0 |
0 |
0.000 |
| 80 |
177 |
|
[SO4]P:303 |
5 |
1 |
185 |
f |
Q |
x,y,z |
1_555 |
11 |
5 |
12161 |
58.3 |
-6.3 |
0.946 |
4 |
0 |
0 |
0.085 |
| 81 |
178 |
|
[SO4]D:303 |
5 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
12040 |
58.3 |
-6.1 |
0.944 |
2 |
0 |
0 |
0.075 |
| 82 |
179 |
|
[SO4]S:303 |
5 |
1 |
184 |
f |
T |
x,y,z |
1_555 |
11 |
5 |
12103 |
58.3 |
-7.1 |
0.778 |
2 |
0 |
0 |
0.087 |
| 83 |
180 |
|
[SO4]M:303 |
5 |
1 |
186 |
f |
N |
x,y,z |
1_555 |
11 |
5 |
12274 |
58.2 |
-6.3 |
0.938 |
4 |
0 |
0 |
0.085 |
| 84 |
181 |
|
[SO4]A:303 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12093 |
57.6 |
-6.3 |
0.943 |
4 |
0 |
0 |
0.089 |
| 85 |
182 |
|
[SO4]D:303 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
11922 |
57.5 |
-6.3 |
0.941 |
4 |
0 |
0 |
0.086 |
| 86 |
183 |
|
[SO4]V:303 |
5 |
1 |
184 |
f |
W |
x,y,z |
1_555 |
9 |
4 |
12171 |
57.3 |
-7.1 |
0.760 |
2 |
0 |
0 |
0.080 |
| 87 |
184 |
|
[SO4]J:303 |
5 |
1 |
184 |
f |
K |
x,y,z |
1_555 |
11 |
5 |
12141 |
57.3 |
-6.1 |
0.945 |
4 |
0 |
0 |
0.084 |
| 88 |
185 |
|
[SO4]H:303 |
5 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
10 |
5 |
12077 |
56.8 |
-5.9 |
0.948 |
2 |
0 |
0 |
0.070 |
| 89 |
186 |
|
J |
4 |
2 |
12020 |
◊ |
P |
x-1,y-1,z |
1_445 |
7 |
3 |
11990 |
56.5 |
1.8 |
0.900 |
1 |
2 |
0 |
0.000 |
| 90 |
187 |
|
[SO4]H:303 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
12151 |
56.1 |
-6.1 |
0.941 |
3 |
0 |
0 |
0.077 |
| 91 |
188 |
|
[SO4]V:303 |
5 |
1 |
184 |
◊ |
V |
x,y,z |
1_555 |
9 |
4 |
11885 |
55.9 |
-6.0 |
0.956 |
4 |
0 |
0 |
0.078 |
| 92 |
189 |
|
[SO4]S:303 |
5 |
1 |
184 |
◊ |
S |
x,y,z |
1_555 |
10 |
4 |
11979 |
55.9 |
-5.9 |
0.950 |
4 |
0 |
0 |
0.084 |
| 93 |
190 |
|
[SO4]M:303 |
5 |
1 |
186 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
11997 |
55.7 |
-5.9 |
0.943 |
4 |
0 |
0 |
0.081 |
| 94 |
191 |
|
[SO4]P:303 |
5 |
1 |
185 |
◊ |
P |
x,y,z |
1_555 |
9 |
4 |
11990 |
55.3 |
-5.7 |
0.952 |
4 |
0 |
0 |
0.079 |
| 95 |
192 |
|
[SO4]A:303 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12053 |
55.2 |
-5.8 |
0.939 |
4 |
0 |
0 |
0.083 |
| 96 |
193 |
|
[SO4]J:303 |
5 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
12020 |
55.0 |
-6.0 |
0.942 |
4 |
0 |
0 |
0.083 |
| 97 |
194 |
|
[H4M]I:302 |
7 |
1 |
897 |
◊ |
N |
x-1,y-1,z |
1_445 |
6 |
3 |
12274 |
55.0 |
-0.4 |
0.569 |
0 |
0 |
0 |
0.000 |
| 98 |
195 |
|
[SO4]H:303 |
5 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
12020 |
54.7 |
-5.9 |
0.938 |
3 |
0 |
0 |
0.075 |
| 99 |
196 |
|
[SO4]A:303 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
12148 |
54.6 |
-5.7 |
0.940 |
3 |
0 |
0 |
0.077 |
| 100 |
197 |
|
[SO4]P:303 |
5 |
1 |
185 |
◊ |
R |
x,y,z |
1_555 |
9 |
4 |
12144 |
54.5 |
-6.1 |
0.862 |
2 |
0 |
0 |
0.074 |
| 101 |
198 |
|
[SO4]S:303 |
5 |
1 |
184 |
◊ |
U |
x,y,z |
1_555 |
9 |
4 |
12021 |
54.3 |
-5.6 |
0.945 |
2 |
0 |
0 |
0.071 |
| 102 |
199 |
|
[SO4]J:303 |
5 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
12115 |
54.0 |
-5.6 |
0.946 |
2 |
0 |
0 |
0.070 |
| 103 |
200 |
|
[SO4]M:303 |
5 |
1 |
186 |
◊ |
O |
x,y,z |
1_555 |
9 |
4 |
12110 |
53.6 |
-5.5 |
0.944 |
2 |
0 |
0 |
0.067 |
| 104 |
201 |
|
[SO4]D:303 |
5 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
12122 |
53.2 |
-6.1 |
0.848 |
3 |
0 |
0 |
0.079 |
| 105 |
202 |
|
[SO4]V:303 |
5 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
9 |
4 |
12139 |
52.2 |
-5.2 |
0.948 |
2 |
0 |
0 |
0.061 |
| 106 |
203 |
|
F |
6 |
4 |
12122 |
◊ |
O |
x-1,y,z-1 |
1_454 |
9 |
3 |
12110 |
49.0 |
0.4 |
0.651 |
0 |
0 |
0 |
0.000 |
204 |
|
L |
4 |
2 |
12115 |
◊ |
U |
x,y-1,z |
1_545 |
3 |
3 |
12021 |
15.4 |
0.7 |
0.817 |
0 |
0 |
0 |
0.000 |
205 |
|
R |
1 |
1 |
12144 |
◊ |
I |
x,y,z-1 |
1_554 |
1 |
1 |
12077 |
9.8 |
0.0 |
0.434 |
0 |
0 |
0 |
0.000 |
| Average: |
24.7 |
0.4 |
0.634 |
0 |
0 |
0 |
0.000 |
| 107 |
206 |
|
I |
4 |
2 |
12077 |
◊ |
U |
x,y-1,z |
1_545 |
6 |
3 |
12021 |
44.1 |
0.6 |
0.766 |
1 |
2 |
0 |
0.000 |
| 108 |
207 |
|
D |
3 |
1 |
11922 |
◊ |
G |
x-1,y,z-1 |
1_454 |
3 |
1 |
12020 |
39.3 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
208 |
|
S |
3 |
1 |
11979 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12053 |
38.0 |
-0.2 |
0.539 |
0 |
0 |
0 |
0.000 |
| Average: |
38.7 |
-0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
| 109 |
209 |
|
[H4M]E:302 |
4 |
1 |
889 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
12115 |
37.2 |
-1.2 |
0.425 |
0 |
0 |
0 |
0.000 |
| 110 |
210 |
|
V |
3 |
2 |
11885 |
◊ |
G |
x-1,y,z |
1_455 |
5 |
2 |
12020 |
31.6 |
0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
| 111 |
211 |
|
C |
3 |
1 |
12148 |
◊ |
[H4M]P:302 |
x-1,y,z |
1_455 |
3 |
1 |
882 |
27.0 |
-0.4 |
0.430 |
1 |
0 |
0 |
0.000 |
| 112 |
212 |
|
[H4M]T:302 |
3 |
1 |
885 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
11997 |
26.8 |
-1.0 |
0.373 |
1 |
0 |
0 |
0.000 |
| 113 |
213 |
|
[H4M]M:302 |
4 |
1 |
893 |
◊ |
T |
x,y,z |
1_555 |
5 |
2 |
12103 |
24.9 |
-0.6 |
0.483 |
0 |
0 |
0 |
0.000 |
| 114 |
214 |
|
[H4M]W:302 |
3 |
1 |
882 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
1 |
12020 |
19.5 |
-0.7 |
0.445 |
0 |
0 |
0 |
0.000 |
| 115 |
215 |
|
H |
2 |
1 |
12151 |
◊ |
U |
x,y-1,z |
1_545 |
1 |
1 |
12021 |
12.2 |
0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
| 116 |
216 |
|
C |
3 |
2 |
12148 |
◊ |
Q |
x-1,y,z |
1_455 |
4 |
2 |
12161 |
10.8 |
0.3 |
0.706 |
0 |
0 |
0 |
0.000 |
| 117 |
217 |
|
W |
4 |
3 |
12171 |
◊ |
[H4M]G:302 |
x-1,y,z |
1_455 |
2 |
1 |
873 |
8.9 |
-0.5 |
0.404 |
0 |
0 |
0 |
0.000 |
| 118 |
218 |
|
P |
2 |
1 |
11990 |
◊ |
M |
x,y,z-1 |
1_554 |
2 |
1 |
11997 |
7.6 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
219 |
|
V |
2 |
1 |
11885 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
12020 |
7.3 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
| Average: |
7.5 |
0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
| 119 |
220 |
|
W |
2 |
1 |
12171 |
◊ |
L |
x-1,y,z |
1_455 |
3 |
3 |
12115 |
6.2 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
221 |
|
Q |
2 |
1 |
12161 |
◊ |
O |
x-1,y,z-1 |
1_454 |
2 |
2 |
12110 |
5.3 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
| Average: |
5.7 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
| 120 |
222 |
|
[H4M]K:302 |
1 |
1 |
892 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12040 |
5.5 |
-0.4 |
0.280 |
0 |
0 |
0 |
0.000 |
| 121 |
223 |
|
L |
2 |
1 |
12115 |
◊ |
P |
x-1,y-1,z |
1_445 |
1 |
1 |
11990 |
3.9 |
0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
| 122 |
224 |
|
L |
1 |
1 |
12115 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12040 |
1.9 |
0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
| 123 |
225 |
|
T |
1 |
1 |
12103 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
12110 |
1.5 |
0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
| 124 |
226 |
|
X |
1 |
1 |
12139 |
◊ |
[H4M]N:302 |
x-1,y-1,z |
1_445 |
2 |
1 |
884 |
1.5 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
|