| ## |
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 |
206 |
56 |
15056 |
◊ |
G |
x,y,z |
1_555 |
210 |
49 |
21369 |
1971.6 |
-27.7 |
0.580 |
16 |
2 |
0 |
0.297 |
2 |
|
N |
208 |
55 |
14968 |
◊ |
M |
x,y,z |
1_555 |
206 |
50 |
21423 |
1960.5 |
-28.6 |
0.532 |
15 |
2 |
0 |
0.297 |
3 |
|
B |
211 |
58 |
14875 |
◊ |
A |
x,y,z |
1_555 |
202 |
48 |
21414 |
1947.2 |
-29.4 |
0.507 |
15 |
2 |
0 |
0.297 |
4 |
|
E |
206 |
55 |
14935 |
◊ |
D |
x,y,z |
1_555 |
202 |
49 |
21321 |
1911.5 |
-29.7 |
0.504 |
17 |
2 |
0 |
0.297 |
5 |
|
K |
202 |
55 |
14923 |
◊ |
J |
x,y,z |
1_555 |
203 |
48 |
21341 |
1906.7 |
-28.9 |
0.531 |
14 |
2 |
0 |
0.297 |
6 |
|
Q |
201 |
55 |
14870 |
◊ |
P |
x,y,z |
1_555 |
199 |
48 |
21455 |
1900.1 |
-28.8 |
0.489 |
13 |
2 |
0 |
0.297 |
| Average: |
1933.0 |
-28.8 |
0.524 |
15 |
2 |
0 |
0.297 |
| 2 |
7 |
|
J |
147 |
39 |
21341 |
◊ |
G |
x,y,z |
1_555 |
143 |
39 |
21369 |
1524.4 |
-27.4 |
0.460 |
16 |
6 |
0 |
0.228 |
8 |
|
P |
147 |
39 |
21455 |
◊ |
M |
x,y,z |
1_555 |
144 |
40 |
21423 |
1510.0 |
-27.2 |
0.459 |
16 |
4 |
0 |
0.228 |
9 |
|
D |
148 |
40 |
21321 |
◊ |
A |
x,y,z |
1_555 |
147 |
40 |
21414 |
1505.4 |
-27.3 |
0.464 |
16 |
4 |
0 |
0.228 |
| Average: |
1513.3 |
-27.3 |
0.461 |
16 |
5 |
0 |
0.228 |
| 3 |
10 |
|
C |
126 |
35 |
10100 |
◊ |
D |
x,y,z |
1_555 |
122 |
38 |
21321 |
1198.6 |
-20.9 |
0.288 |
7 |
0 |
0 |
0.235 |
11 |
|
O |
125 |
34 |
10174 |
◊ |
P |
x,y,z |
1_555 |
123 |
38 |
21455 |
1194.3 |
-20.5 |
0.288 |
6 |
0 |
0 |
0.235 |
12 |
|
I |
127 |
35 |
10107 |
◊ |
J |
x,y,z |
1_555 |
123 |
39 |
21341 |
1193.4 |
-20.2 |
0.365 |
6 |
0 |
0 |
0.235 |
13 |
|
R |
122 |
34 |
10052 |
◊ |
M |
x,y,z |
1_555 |
119 |
38 |
21423 |
1192.3 |
-20.3 |
0.312 |
6 |
0 |
0 |
0.235 |
14 |
|
F |
121 |
34 |
10013 |
◊ |
A |
x,y,z |
1_555 |
125 |
40 |
21414 |
1180.5 |
-21.0 |
0.273 |
6 |
0 |
0 |
0.235 |
15 |
|
L |
119 |
34 |
10091 |
◊ |
G |
x,y,z |
1_555 |
118 |
38 |
21369 |
1166.4 |
-21.0 |
0.251 |
7 |
0 |
0 |
0.235 |
| Average: |
1187.6 |
-20.6 |
0.296 |
6 |
0 |
0 |
0.235 |
| 4 |
16 |
|
[LOP]M:504 |
45 |
1 |
1216 |
f |
M |
x,y,z |
1_555 |
92 |
28 |
21423 |
683.6 |
-4.9 |
0.522 |
3 |
0 |
0 |
0.105 |
17 |
|
[LOP]A:504 |
44 |
1 |
1186 |
f |
A |
x,y,z |
1_555 |
85 |
27 |
21414 |
666.5 |
-6.1 |
0.473 |
5 |
0 |
0 |
0.105 |
18 |
|
[LOP]P:504 |
42 |
1 |
1169 |
f |
P |
x,y,z |
1_555 |
88 |
27 |
21455 |
643.4 |
-6.6 |
0.452 |
4 |
0 |
0 |
0.105 |
19 |
|
[LOP]D:504 |
42 |
1 |
1184 |
f |
D |
x,y,z |
1_555 |
83 |
27 |
21321 |
637.8 |
-6.6 |
0.441 |
5 |
0 |
0 |
0.105 |
20 |
|
[LOP]J:504 |
43 |
1 |
1171 |
f |
J |
x,y,z |
1_555 |
81 |
27 |
21341 |
635.5 |
-6.2 |
0.502 |
5 |
0 |
0 |
0.105 |
| Average: |
653.4 |
-6.1 |
0.478 |
4 |
0 |
0 |
0.105 |
| 5 |
21 |
|
[SMA]D:503 |
37 |
1 |
855 |
f |
D |
x,y,z |
1_555 |
80 |
29 |
21321 |
619.6 |
-5.7 |
0.452 |
2 |
0 |
0 |
0.085 |
22 |
|
[SMA]G:503 |
37 |
1 |
849 |
f |
G |
x,y,z |
1_555 |
81 |
28 |
21369 |
618.9 |
-5.6 |
0.497 |
1 |
0 |
0 |
0.085 |
23 |
|
[SMA]J:503 |
37 |
1 |
847 |
f |
J |
x,y,z |
1_555 |
83 |
29 |
21341 |
617.5 |
-6.2 |
0.490 |
2 |
0 |
0 |
0.085 |
24 |
|
[SMA]M:503 |
37 |
1 |
852 |
f |
M |
x,y,z |
1_555 |
82 |
29 |
21423 |
617.5 |
-5.8 |
0.504 |
1 |
0 |
0 |
0.085 |
25 |
|
[SMA]P:503 |
37 |
1 |
854 |
f |
P |
x,y,z |
1_555 |
78 |
27 |
21455 |
616.6 |
-5.9 |
0.453 |
1 |
0 |
0 |
0.085 |
26 |
|
[SMA]A:503 |
37 |
1 |
847 |
f |
A |
x,y,z |
1_555 |
80 |
28 |
21414 |
616.2 |
-5.9 |
0.467 |
1 |
0 |
0 |
0.085 |
| Average: |
617.7 |
-5.9 |
0.477 |
1 |
0 |
0 |
0.085 |
| 6 |
27 |
|
[HEM]A:501 |
43 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
81 |
30 |
21414 |
610.5 |
-22.2 |
0.695 |
4 |
0 |
0 |
0.301 |
28 |
|
[HEM]J:501 |
43 |
1 |
812 |
f |
J |
x,y,z |
1_555 |
82 |
30 |
21341 |
607.2 |
-20.2 |
0.726 |
5 |
0 |
0 |
0.301 |
29 |
|
[HEM]G:501 |
43 |
1 |
816 |
f |
G |
x,y,z |
1_555 |
81 |
30 |
21369 |
607.1 |
-20.5 |
0.719 |
6 |
0 |
0 |
0.301 |
30 |
|
[HEM]P:501 |
43 |
1 |
818 |
f |
P |
x,y,z |
1_555 |
79 |
30 |
21455 |
605.4 |
-21.9 |
0.715 |
4 |
0 |
0 |
0.301 |
31 |
|
[HEM]M:501 |
43 |
1 |
817 |
f |
M |
x,y,z |
1_555 |
79 |
30 |
21423 |
604.1 |
-22.2 |
0.717 |
4 |
0 |
0 |
0.301 |
32 |
|
[HEM]D:501 |
43 |
1 |
807 |
f |
D |
x,y,z |
1_555 |
84 |
31 |
21321 |
600.5 |
-21.4 |
0.727 |
8 |
0 |
0 |
0.301 |
| Average: |
605.8 |
-21.4 |
0.717 |
5 |
0 |
0 |
0.301 |
| 7 |
33 |
|
[HEM]P:502 |
43 |
1 |
782 |
f |
P |
x,y,z |
1_555 |
95 |
31 |
21455 |
601.8 |
-23.2 |
0.656 |
3 |
0 |
0 |
0.315 |
34 |
|
[HEM]J:502 |
43 |
1 |
788 |
f |
J |
x,y,z |
1_555 |
95 |
31 |
21341 |
601.7 |
-23.4 |
0.676 |
2 |
0 |
0 |
0.315 |
35 |
|
[HEM]M:502 |
43 |
1 |
788 |
f |
M |
x,y,z |
1_555 |
94 |
31 |
21423 |
600.8 |
-23.3 |
0.684 |
3 |
0 |
0 |
0.315 |
36 |
|
[HEM]G:502 |
43 |
1 |
786 |
f |
G |
x,y,z |
1_555 |
95 |
31 |
21369 |
599.4 |
-23.4 |
0.677 |
3 |
0 |
0 |
0.315 |
37 |
|
[HEM]A:502 |
43 |
1 |
782 |
f |
A |
x,y,z |
1_555 |
95 |
31 |
21414 |
598.5 |
-23.4 |
0.664 |
2 |
0 |
0 |
0.315 |
38 |
|
[HEM]D:502 |
43 |
1 |
781 |
f |
D |
x,y,z |
1_555 |
93 |
31 |
21321 |
597.4 |
-23.0 |
0.666 |
3 |
0 |
0 |
0.315 |
| Average: |
599.9 |
-23.3 |
0.671 |
3 |
0 |
0 |
0.315 |
| 8 |
39 |
|
[HEM]Q:301 |
43 |
1 |
829 |
cf |
Q |
x,y,z |
1_555 |
68 |
28 |
14870 |
584.5 |
-23.8 |
0.273 |
4 |
0 |
0 |
0.215 |
40 |
|
[HEM]H:301 |
43 |
1 |
825 |
cf |
H |
x,y,z |
1_555 |
69 |
28 |
15056 |
582.7 |
-23.7 |
0.284 |
4 |
0 |
0 |
0.215 |
41 |
|
[HEM]K:301 |
43 |
1 |
812 |
cf |
K |
x,y,z |
1_555 |
68 |
28 |
14923 |
578.4 |
-22.8 |
0.306 |
4 |
0 |
0 |
0.215 |
42 |
|
[HEM]N:301 |
43 |
1 |
806 |
cf |
N |
x,y,z |
1_555 |
66 |
27 |
14968 |
575.2 |
-22.7 |
0.258 |
3 |
0 |
0 |
0.215 |
43 |
|
[HEM]E:301 |
43 |
1 |
808 |
cf |
E |
x,y,z |
1_555 |
64 |
26 |
14935 |
573.9 |
-22.6 |
0.273 |
3 |
0 |
0 |
0.215 |
44 |
|
[HEM]B:301 |
43 |
1 |
813 |
cf |
B |
x,y,z |
1_555 |
69 |
29 |
14875 |
573.6 |
-23.3 |
0.286 |
4 |
0 |
0 |
0.215 |
| Average: |
578.1 |
-23.1 |
0.280 |
4 |
0 |
0 |
0.215 |
| 9 |
45 |
|
[LOP]G:504 |
43 |
1 |
1159 |
f |
G |
x,y,z |
1_555 |
75 |
25 |
21369 |
577.8 |
-2.2 |
0.567 |
4 |
0 |
0 |
0.039 |
| 10 |
46 |
|
L |
55 |
17 |
10091 |
◊ |
K |
x,y,z |
1_555 |
57 |
15 |
14923 |
546.8 |
-9.3 |
0.261 |
2 |
0 |
0 |
0.064 |
47 |
|
R |
53 |
16 |
10052 |
◊ |
Q |
x,y,z |
1_555 |
56 |
16 |
14870 |
544.8 |
-9.2 |
0.254 |
2 |
0 |
0 |
0.064 |
48 |
|
F |
55 |
18 |
10013 |
◊ |
E |
x,y,z |
1_555 |
57 |
14 |
14935 |
544.0 |
-9.2 |
0.272 |
2 |
0 |
0 |
0.064 |
49 |
|
O |
56 |
18 |
10174 |
◊ |
N |
x,y,z |
1_555 |
58 |
16 |
14968 |
541.2 |
-9.2 |
0.261 |
2 |
0 |
0 |
0.064 |
50 |
|
C |
54 |
17 |
10100 |
◊ |
B |
x,y,z |
1_555 |
54 |
15 |
14875 |
537.2 |
-8.8 |
0.268 |
2 |
0 |
0 |
0.064 |
51 |
|
I |
48 |
15 |
10107 |
◊ |
H |
x,y,z |
1_555 |
52 |
13 |
15056 |
526.2 |
-8.9 |
0.233 |
2 |
0 |
0 |
0.064 |
| Average: |
540.0 |
-9.1 |
0.258 |
2 |
0 |
0 |
0.064 |
| 11 |
52 |
|
F |
45 |
10 |
10013 |
◊ |
D |
x,y,z |
1_555 |
38 |
12 |
21321 |
395.8 |
-6.2 |
0.486 |
6 |
2 |
0 |
0.071 |
53 |
|
C |
42 |
11 |
10100 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
21414 |
393.9 |
-6.0 |
0.479 |
6 |
2 |
0 |
0.071 |
54 |
|
R |
45 |
10 |
10052 |
◊ |
P |
x,y,z |
1_555 |
37 |
12 |
21455 |
393.7 |
-6.2 |
0.486 |
5 |
1 |
0 |
0.071 |
55 |
|
I |
44 |
11 |
10107 |
◊ |
G |
x,y,z |
1_555 |
39 |
13 |
21369 |
392.4 |
-6.3 |
0.488 |
7 |
2 |
0 |
0.071 |
56 |
|
O |
49 |
11 |
10174 |
◊ |
M |
x,y,z |
1_555 |
36 |
12 |
21423 |
390.5 |
-6.3 |
0.467 |
6 |
2 |
0 |
0.071 |
57 |
|
L |
44 |
12 |
10091 |
◊ |
J |
x,y,z |
1_555 |
38 |
13 |
21341 |
390.2 |
-6.0 |
0.500 |
6 |
2 |
0 |
0.071 |
| Average: |
392.8 |
-6.2 |
0.484 |
6 |
2 |
0 |
0.071 |
| 12 |
58 |
|
O |
37 |
11 |
10174 |
◊ |
F |
x-1/2,y-3/2,z-1 |
3_434 |
37 |
11 |
10013 |
342.0 |
-1.2 |
0.777 |
2 |
0 |
0 |
0.000 |
59 |
|
L |
36 |
10 |
10091 |
◊ |
C |
x,y,z |
1_555 |
38 |
11 |
10100 |
339.0 |
-1.9 |
0.727 |
2 |
0 |
0 |
0.000 |
| Average: |
340.5 |
-1.5 |
0.752 |
2 |
0 |
0 |
0.000 |
| 13 |
60 |
|
I |
29 |
8 |
10107 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
30 |
12 |
15056 |
240.7 |
0.4 |
0.862 |
4 |
2 |
0 |
0.000 |
| 14 |
61 |
|
K |
28 |
11 |
14923 |
◊ |
A |
x,y-1,z |
1_545 |
25 |
11 |
21414 |
211.9 |
-2.6 |
0.638 |
2 |
0 |
0 |
0.000 |
| 15 |
62 |
|
P |
25 |
8 |
21455 |
◊ |
D |
-x,y-1,-z+1 |
2_546 |
24 |
8 |
21321 |
207.7 |
-2.3 |
0.793 |
2 |
0 |
0 |
0.000 |
| 16 |
63 |
|
P |
17 |
3 |
21455 |
◊ |
A |
x-1/2,y-3/2,z-1 |
3_434 |
18 |
3 |
21414 |
150.8 |
-3.4 |
0.466 |
0 |
0 |
0 |
0.000 |
64 |
|
G |
17 |
3 |
21369 |
◊ |
D |
x,y,z |
1_555 |
17 |
3 |
21321 |
148.5 |
-3.3 |
0.471 |
0 |
0 |
0 |
0.000 |
| Average: |
149.7 |
-3.4 |
0.468 |
0 |
0 |
0 |
0.000 |
| 17 |
65 |
|
M |
20 |
3 |
21423 |
◊ |
J |
x,y,z |
1_555 |
19 |
3 |
21341 |
149.4 |
-3.8 |
0.475 |
0 |
0 |
0 |
0.000 |
| 18 |
66 |
|
R |
15 |
5 |
10052 |
◊ |
I |
x,y,z |
1_555 |
16 |
6 |
10107 |
144.6 |
0.5 |
0.816 |
3 |
0 |
0 |
0.000 |
| 19 |
67 |
|
C |
14 |
6 |
10100 |
◊ |
H |
x,y,z |
1_555 |
11 |
3 |
15056 |
141.2 |
-0.2 |
0.721 |
2 |
0 |
0 |
0.000 |
68 |
|
L |
16 |
6 |
10091 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
14935 |
137.2 |
-0.5 |
0.691 |
3 |
0 |
0 |
0.000 |
69 |
|
Q |
12 |
3 |
14870 |
◊ |
F |
x-1/2,y-3/2,z-1 |
3_434 |
15 |
6 |
10013 |
134.1 |
-0.8 |
0.626 |
2 |
0 |
0 |
0.000 |
70 |
|
O |
15 |
6 |
10174 |
◊ |
B |
x-1/2,y-3/2,z-1 |
3_434 |
10 |
3 |
14875 |
130.0 |
-0.5 |
0.665 |
2 |
0 |
0 |
0.000 |
| Average: |
135.6 |
-0.5 |
0.676 |
2 |
0 |
0 |
0.000 |
| 20 |
71 |
|
[FES]O:200 |
4 |
1 |
234 |
f |
O |
x,y,z |
1_555 |
16 |
9 |
10174 |
113.0 |
-15.0 |
0.703 |
5 |
0 |
0 |
0.165 |
72 |
|
[FES]R:200 |
4 |
1 |
234 |
f |
R |
x,y,z |
1_555 |
16 |
8 |
10052 |
113.0 |
-15.1 |
0.716 |
4 |
0 |
0 |
0.165 |
73 |
|
[FES]I:200 |
4 |
1 |
235 |
f |
I |
x,y,z |
1_555 |
17 |
9 |
10107 |
112.8 |
-15.0 |
0.722 |
5 |
0 |
0 |
0.165 |
74 |
|
[FES]L:200 |
4 |
1 |
233 |
f |
L |
x,y,z |
1_555 |
15 |
8 |
10091 |
112.8 |
-15.1 |
0.709 |
4 |
0 |
0 |
0.165 |
75 |
|
[FES]F:200 |
4 |
1 |
233 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
10013 |
112.5 |
-15.1 |
0.712 |
4 |
0 |
0 |
0.165 |
76 |
|
[FES]C:200 |
4 |
1 |
234 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
10100 |
111.9 |
-14.9 |
0.710 |
5 |
0 |
0 |
0.165 |
| Average: |
112.6 |
-15.0 |
0.712 |
5 |
0 |
0 |
0.165 |
| 21 |
77 |
|
O |
14 |
6 |
10174 |
◊ |
O |
-x,y,-z |
2_555 |
14 |
6 |
10174 |
92.9 |
1.4 |
0.893 |
2 |
2 |
0 |
0.000 |
| 22 |
78 |
|
I |
11 |
3 |
10107 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
4 |
14875 |
83.0 |
-2.5 |
0.274 |
0 |
0 |
0 |
0.000 |
| 23 |
79 |
|
[SMA]D:503 |
6 |
1 |
855 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
10100 |
74.8 |
-1.4 |
0.357 |
1 |
0 |
0 |
0.025 |
80 |
|
[SMA]J:503 |
5 |
1 |
847 |
◊ |
I |
x,y,z |
1_555 |
10 |
5 |
10107 |
70.3 |
-1.7 |
0.307 |
2 |
0 |
0 |
0.025 |
81 |
|
[SMA]A:503 |
7 |
1 |
847 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
10013 |
69.6 |
-1.8 |
0.332 |
1 |
0 |
0 |
0.025 |
82 |
|
[SMA]M:503 |
5 |
1 |
852 |
◊ |
R |
x,y,z |
1_555 |
10 |
5 |
10052 |
69.3 |
-1.9 |
0.289 |
1 |
0 |
0 |
0.025 |
83 |
|
[SMA]P:503 |
7 |
1 |
854 |
◊ |
O |
x,y,z |
1_555 |
10 |
5 |
10174 |
68.8 |
-1.9 |
0.305 |
1 |
0 |
0 |
0.025 |
84 |
|
[SMA]G:503 |
6 |
1 |
849 |
◊ |
L |
x,y,z |
1_555 |
10 |
5 |
10091 |
68.6 |
-1.9 |
0.296 |
1 |
0 |
0 |
0.025 |
| Average: |
70.2 |
-1.8 |
0.314 |
1 |
0 |
0 |
0.025 |
| 24 |
85 |
|
I |
11 |
6 |
10107 |
◊ |
K |
x,y,z |
1_555 |
6 |
4 |
14923 |
70.6 |
0.3 |
0.717 |
1 |
0 |
0 |
0.000 |
86 |
|
F |
7 |
5 |
10013 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
14875 |
40.1 |
0.9 |
0.823 |
1 |
0 |
0 |
0.000 |
87 |
|
R |
7 |
4 |
10052 |
◊ |
N |
x,y,z |
1_555 |
4 |
3 |
14968 |
38.7 |
0.9 |
0.817 |
0 |
0 |
0 |
0.000 |
88 |
|
O |
3 |
2 |
10174 |
◊ |
Q |
x,y,z |
1_555 |
3 |
3 |
14870 |
30.2 |
1.0 |
0.858 |
0 |
0 |
0 |
0.000 |
89 |
|
L |
5 |
4 |
10091 |
◊ |
H |
x,y,z |
1_555 |
4 |
4 |
15056 |
28.7 |
0.7 |
0.808 |
0 |
0 |
0 |
0.000 |
90 |
|
C |
3 |
3 |
10100 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
14935 |
12.9 |
0.5 |
0.848 |
0 |
0 |
0 |
0.000 |
| Average: |
36.9 |
0.7 |
0.812 |
0 |
0 |
0 |
0.000 |
| 25 |
91 |
|
O |
6 |
3 |
10174 |
◊ |
B |
-x+1/2,y-3/2,-z+1 |
4_536 |
8 |
3 |
14875 |
50.4 |
-0.7 |
0.538 |
0 |
0 |
0 |
0.000 |
| 26 |
92 |
|
J |
2 |
2 |
21341 |
◊ |
J |
-x,y,-z+1 |
2_556 |
2 |
2 |
21341 |
31.5 |
-1.0 |
0.178 |
0 |
0 |
0 |
0.000 |
| 27 |
93 |
|
N |
3 |
2 |
14968 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
15056 |
25.0 |
0.1 |
0.695 |
0 |
0 |
0 |
0.000 |
| 28 |
94 |
|
Q |
3 |
1 |
14870 |
◊ |
G |
x,y-1,z |
1_545 |
2 |
1 |
21369 |
20.9 |
0.7 |
0.888 |
1 |
1 |
0 |
0.000 |
| 29 |
95 |
|
[FES]I:200 |
2 |
1 |
235 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
21341 |
17.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
96 |
|
[FES]O:200 |
2 |
1 |
234 |
◊ |
P |
x,y,z |
1_555 |
3 |
2 |
21455 |
17.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
97 |
|
[FES]R:200 |
2 |
1 |
234 |
◊ |
M |
x,y,z |
1_555 |
3 |
2 |
21423 |
16.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
98 |
|
[FES]F:200 |
2 |
1 |
233 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
21414 |
16.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
99 |
|
[FES]L:200 |
2 |
1 |
233 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
21369 |
15.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
16.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
| 30 |
100 |
|
[FES]C:200 |
2 |
1 |
234 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
21321 |
16.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 31 |
101 |
|
N |
3 |
1 |
14968 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
10100 |
12.6 |
-0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 32 |
102 |
|
[HEM]M:502 |
1 |
1 |
788 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
21455 |
6.9 |
-0.0 |
0.853 |
0 |
0 |
0 |
0.000 |
103 |
|
[HEM]D:502 |
1 |
1 |
781 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21414 |
6.7 |
-0.0 |
0.853 |
0 |
0 |
0 |
0.000 |
104 |
|
[HEM]P:502 |
2 |
1 |
782 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
21423 |
1.7 |
-0.0 |
0.902 |
0 |
0 |
0 |
0.000 |
105 |
|
[HEM]G:502 |
1 |
1 |
786 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
21341 |
1.2 |
-0.0 |
0.864 |
0 |
0 |
0 |
0.000 |
106 |
|
[HEM]A:502 |
2 |
1 |
782 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
21321 |
0.8 |
-0.0 |
0.894 |
0 |
0 |
0 |
0.000 |
107 |
|
[HEM]J:502 |
1 |
1 |
788 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
21369 |
0.5 |
-0.0 |
0.819 |
0 |
0 |
0 |
0.000 |
| Average: |
3.0 |
-0.0 |
0.864 |
0 |
0 |
0 |
0.000 |
| 33 |
108 |
|
N |
2 |
1 |
14968 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
10091 |
1.9 |
0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
| 34 |
109 |
|
[FES]C:200 |
1 |
1 |
234 |
◊ |
[SMA]D:503 |
x,y,z |
1_555 |
1 |
1 |
855 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|