## |
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 |
|
I |
175 |
50 |
9947 |
◊ |
H |
x,y,z |
1_555 |
158 |
43 |
13736 |
1570.9 |
-14.8 |
0.237 |
27 |
16 |
0 |
0.932 |
2 |
|
W |
176 |
50 |
9946 |
◊ |
V |
x,y,z |
1_555 |
154 |
41 |
13731 |
1566.6 |
-15.0 |
0.222 |
27 |
16 |
0 |
0.932 |
Average: |
1568.8 |
-14.9 |
0.229 |
27 |
16 |
0 |
0.932 |
2 |
3 |
|
C |
147 |
35 |
12895 |
◊ |
B |
x,y,z |
1_555 |
178 |
42 |
12798 |
1542.6 |
-10.4 |
0.244 |
20 |
3 |
0 |
1.000 |
4 |
|
Q |
144 |
32 |
12903 |
◊ |
P |
x,y,z |
1_555 |
177 |
42 |
12779 |
1497.2 |
-10.4 |
0.239 |
20 |
3 |
0 |
1.000 |
Average: |
1519.9 |
-10.4 |
0.242 |
20 |
3 |
0 |
1.000 |
3 |
5 |
|
L |
159 |
39 |
11922 |
◊ |
V |
x,y,z |
1_555 |
138 |
35 |
13731 |
1441.8 |
-7.1 |
0.447 |
17 |
4 |
0 |
0.847 |
6 |
|
Z |
159 |
39 |
11951 |
◊ |
H |
x,y,z |
1_555 |
141 |
35 |
13736 |
1438.6 |
-7.2 |
0.456 |
18 |
4 |
0 |
0.847 |
Average: |
1440.2 |
-7.1 |
0.451 |
18 |
4 |
0 |
0.847 |
4 |
7 |
|
U |
152 |
42 |
12815 |
◊ |
O |
x,y,z |
1_555 |
140 |
38 |
13378 |
1406.8 |
-17.5 |
0.078 |
13 |
2 |
0 |
0.301 |
8 |
|
G |
153 |
40 |
12809 |
◊ |
A |
x,y,z |
1_555 |
141 |
39 |
13382 |
1387.1 |
-17.1 |
0.087 |
13 |
2 |
0 |
0.301 |
Average: |
1396.9 |
-17.3 |
0.083 |
13 |
2 |
0 |
0.301 |
5 |
9 |
|
P |
146 |
38 |
12779 |
◊ |
O |
x,y,z |
1_555 |
163 |
42 |
13378 |
1362.6 |
-16.5 |
0.108 |
16 |
1 |
0 |
0.224 |
10 |
|
B |
141 |
38 |
12798 |
◊ |
A |
x,y,z |
1_555 |
156 |
41 |
13382 |
1339.1 |
-16.4 |
0.104 |
15 |
1 |
0 |
0.224 |
Average: |
1350.9 |
-16.4 |
0.106 |
16 |
1 |
0 |
0.224 |
6 |
11 |
|
U |
139 |
33 |
12815 |
◊ |
T |
x,y,z |
1_555 |
157 |
40 |
12410 |
1361.6 |
-13.5 |
0.143 |
17 |
4 |
0 |
0.277 |
12 |
|
G |
139 |
33 |
12809 |
◊ |
F |
x,y,z |
1_555 |
156 |
39 |
12408 |
1361.1 |
-13.4 |
0.146 |
18 |
3 |
0 |
0.277 |
Average: |
1361.4 |
-13.4 |
0.145 |
18 |
4 |
0 |
0.277 |
7 |
13 |
|
T |
146 |
34 |
12410 |
◊ |
S |
x,y,z |
1_555 |
148 |
39 |
11780 |
1328.7 |
-13.2 |
0.132 |
18 |
4 |
0 |
0.284 |
14 |
|
F |
146 |
34 |
12408 |
◊ |
E |
x,y,z |
1_555 |
147 |
39 |
11787 |
1325.6 |
-13.2 |
0.129 |
16 |
4 |
0 |
0.284 |
Average: |
1327.2 |
-13.2 |
0.131 |
17 |
4 |
0 |
0.284 |
8 |
15 |
|
N |
146 |
39 |
9559 |
◊ |
a |
x,y,z |
1_555 |
136 |
28 |
12573 |
1326.1 |
-9.4 |
0.297 |
24 |
3 |
0 |
0.593 |
16 |
|
b |
145 |
39 |
9558 |
◊ |
M |
x,y,z |
1_555 |
134 |
29 |
12581 |
1325.8 |
-9.4 |
0.289 |
25 |
3 |
0 |
0.593 |
Average: |
1326.0 |
-9.4 |
0.293 |
25 |
3 |
0 |
0.593 |
9 |
17 |
|
R |
127 |
34 |
12224 |
◊ |
Q |
x,y,z |
1_555 |
138 |
36 |
12903 |
1268.6 |
-11.7 |
0.135 |
17 |
2 |
0 |
0.569 |
18 |
|
D |
125 |
34 |
12240 |
◊ |
C |
x,y,z |
1_555 |
137 |
37 |
12895 |
1263.5 |
-11.6 |
0.136 |
17 |
2 |
0 |
0.569 |
Average: |
1266.0 |
-11.7 |
0.136 |
17 |
2 |
0 |
0.569 |
10 |
19 |
|
S |
110 |
30 |
11780 |
◊ |
R |
x,y,z |
1_555 |
115 |
32 |
12224 |
1033.4 |
-9.3 |
0.179 |
11 |
4 |
0 |
1.000 |
20 |
|
E |
111 |
30 |
11787 |
◊ |
D |
x,y,z |
1_555 |
119 |
33 |
12240 |
1020.6 |
-9.6 |
0.176 |
12 |
4 |
0 |
1.000 |
Average: |
1027.0 |
-9.5 |
0.177 |
12 |
4 |
0 |
1.000 |
11 |
21 |
|
K |
105 |
28 |
10398 |
◊ |
W |
x,y,z |
1_555 |
104 |
25 |
9946 |
982.2 |
-2.9 |
0.588 |
19 |
5 |
0 |
0.481 |
22 |
|
Y |
103 |
28 |
10403 |
◊ |
I |
x,y,z |
1_555 |
103 |
25 |
9947 |
981.1 |
-2.9 |
0.585 |
18 |
5 |
0 |
0.481 |
Average: |
981.7 |
-2.9 |
0.587 |
19 |
5 |
0 |
0.481 |
12 |
23 |
|
a |
97 |
29 |
12573 |
◊ |
Z |
x,y,z |
1_555 |
96 |
29 |
11951 |
944.4 |
-0.9 |
0.623 |
14 |
9 |
0 |
0.185 |
24 |
|
M |
95 |
28 |
12581 |
◊ |
L |
x,y,z |
1_555 |
96 |
29 |
11922 |
935.6 |
0.6 |
0.670 |
14 |
9 |
0 |
0.185 |
Average: |
940.0 |
-0.2 |
0.647 |
14 |
9 |
0 |
0.185 |
13 |
25 |
|
M |
88 |
24 |
12581 |
◊ |
V |
x,y,z |
1_555 |
97 |
26 |
13731 |
904.2 |
-11.0 |
0.166 |
4 |
1 |
0 |
0.827 |
26 |
|
a |
85 |
24 |
12573 |
◊ |
H |
x,y,z |
1_555 |
97 |
26 |
13736 |
896.2 |
-11.1 |
0.155 |
4 |
1 |
0 |
0.827 |
Average: |
900.2 |
-11.1 |
0.161 |
4 |
1 |
0 |
0.827 |
14 |
27 |
|
K |
92 |
22 |
10398 |
◊ |
X |
x,y,z |
1_555 |
87 |
19 |
10196 |
772.4 |
-3.1 |
0.450 |
7 |
9 |
0 |
0.094 |
28 |
|
Y |
91 |
21 |
10403 |
◊ |
J |
x,y,z |
1_555 |
85 |
19 |
10179 |
750.1 |
-4.0 |
0.384 |
5 |
10 |
0 |
0.094 |
Average: |
761.2 |
-3.6 |
0.417 |
6 |
10 |
0 |
0.094 |
15 |
29 |
|
X |
78 |
19 |
10196 |
◊ |
J |
x,y,z |
1_555 |
77 |
19 |
10179 |
704.8 |
-4.5 |
0.323 |
14 |
0 |
0 |
0.066 |
16 |
30 |
|
L |
84 |
20 |
11922 |
◊ |
W |
x,y,z |
1_555 |
88 |
21 |
9946 |
684.7 |
-4.2 |
0.369 |
7 |
6 |
0 |
0.150 |
31 |
|
Z |
83 |
20 |
11951 |
◊ |
I |
x,y,z |
1_555 |
89 |
21 |
9947 |
678.7 |
-4.1 |
0.380 |
6 |
6 |
0 |
0.150 |
Average: |
681.7 |
-4.2 |
0.374 |
7 |
6 |
0 |
0.150 |
17 |
32 |
|
V |
60 |
17 |
13731 |
◊ |
O |
x,y,z |
1_555 |
74 |
20 |
13378 |
659.9 |
-4.4 |
0.467 |
9 |
3 |
0 |
0.066 |
33 |
|
H |
62 |
17 |
13736 |
◊ |
A |
x,y,z |
1_555 |
73 |
20 |
13382 |
654.9 |
-3.5 |
0.508 |
9 |
3 |
0 |
0.066 |
Average: |
657.4 |
-4.0 |
0.488 |
9 |
3 |
0 |
0.066 |
18 |
34 |
|
Z |
73 |
22 |
11951 |
◊ |
Y |
x,y,z |
1_555 |
69 |
19 |
10403 |
648.3 |
-3.3 |
0.307 |
14 |
5 |
0 |
0.126 |
35 |
|
L |
72 |
22 |
11922 |
◊ |
K |
x,y,z |
1_555 |
66 |
19 |
10398 |
646.7 |
-3.3 |
0.296 |
14 |
5 |
0 |
0.126 |
Average: |
647.5 |
-3.3 |
0.301 |
14 |
5 |
0 |
0.126 |
19 |
36 |
|
H |
64 |
15 |
13736 |
◊ |
G |
x,y,z |
1_555 |
67 |
18 |
12809 |
638.0 |
-0.3 |
0.616 |
10 |
13 |
0 |
0.053 |
37 |
|
V |
64 |
16 |
13731 |
◊ |
U |
x,y,z |
1_555 |
69 |
18 |
12815 |
636.0 |
-0.3 |
0.623 |
11 |
11 |
0 |
0.053 |
Average: |
637.0 |
-0.3 |
0.619 |
11 |
12 |
0 |
0.053 |
20 |
38 |
|
N |
69 |
16 |
9559 |
◊ |
b |
x,y,z |
1_555 |
69 |
16 |
9558 |
630.4 |
-4.3 |
0.340 |
8 |
4 |
0 |
0.033 |
21 |
39 |
|
Y |
70 |
23 |
10403 |
◊ |
X |
x,y,z |
1_555 |
61 |
18 |
10196 |
626.6 |
-1.1 |
0.580 |
7 |
3 |
0 |
0.054 |
40 |
|
K |
70 |
23 |
10398 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
10179 |
626.4 |
-1.0 |
0.590 |
6 |
3 |
0 |
0.054 |
Average: |
626.5 |
-1.0 |
0.585 |
7 |
3 |
0 |
0.054 |
22 |
41 |
|
N |
64 |
19 |
9559 |
◊ |
M |
x,y,z |
1_555 |
64 |
20 |
12581 |
622.2 |
-1.1 |
0.582 |
9 |
4 |
0 |
0.044 |
42 |
|
b |
64 |
19 |
9558 |
◊ |
a |
x,y,z |
1_555 |
67 |
20 |
12573 |
621.9 |
-0.9 |
0.583 |
9 |
4 |
0 |
0.044 |
Average: |
622.0 |
-1.0 |
0.582 |
9 |
4 |
0 |
0.044 |
23 |
43 |
|
a |
67 |
18 |
12573 |
◊ |
S |
x,y,z |
1_555 |
60 |
14 |
11780 |
588.9 |
-2.7 |
0.445 |
7 |
3 |
0 |
0.027 |
44 |
|
M |
64 |
18 |
12581 |
◊ |
E |
x,y,z |
1_555 |
58 |
14 |
11787 |
584.7 |
-2.7 |
0.436 |
7 |
3 |
0 |
0.027 |
Average: |
586.8 |
-2.7 |
0.440 |
7 |
3 |
0 |
0.027 |
24 |
45 |
|
J |
61 |
21 |
10179 |
◊ |
I |
x,y,z |
1_555 |
65 |
23 |
9947 |
567.3 |
-3.9 |
0.320 |
10 |
5 |
0 |
0.113 |
46 |
|
X |
59 |
21 |
10196 |
◊ |
W |
x,y,z |
1_555 |
65 |
23 |
9946 |
564.3 |
-4.1 |
0.312 |
10 |
5 |
0 |
0.113 |
Average: |
565.8 |
-4.0 |
0.316 |
10 |
5 |
0 |
0.113 |
25 |
47 |
|
J |
58 |
15 |
10179 |
◊ |
B |
x,y,z |
1_555 |
56 |
13 |
12798 |
546.4 |
-0.3 |
0.584 |
11 |
4 |
0 |
0.013 |
48 |
|
X |
60 |
15 |
10196 |
◊ |
P |
x,y,z |
1_555 |
55 |
13 |
12779 |
545.1 |
-0.4 |
0.579 |
11 |
4 |
0 |
0.013 |
Average: |
545.7 |
-0.3 |
0.581 |
11 |
4 |
0 |
0.013 |
26 |
49 |
|
Z |
56 |
16 |
11951 |
◊ |
R |
x,y,z |
1_555 |
55 |
13 |
12224 |
539.3 |
2.1 |
0.779 |
10 |
4 |
0 |
0.007 |
50 |
|
L |
55 |
15 |
11922 |
◊ |
D |
x,y,z |
1_555 |
55 |
14 |
12240 |
530.9 |
2.1 |
0.776 |
10 |
4 |
0 |
0.007 |
Average: |
535.1 |
2.1 |
0.778 |
10 |
4 |
0 |
0.007 |
27 |
51 |
|
I |
61 |
16 |
9947 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
13382 |
525.7 |
-2.9 |
0.486 |
7 |
2 |
0 |
0.038 |
52 |
|
W |
60 |
16 |
9946 |
◊ |
O |
x,y,z |
1_555 |
47 |
13 |
13378 |
515.9 |
-2.9 |
0.481 |
7 |
2 |
0 |
0.038 |
Average: |
520.8 |
-2.9 |
0.484 |
7 |
2 |
0 |
0.038 |
28 |
53 |
|
W |
48 |
11 |
9946 |
◊ |
P |
x,y,z |
1_555 |
56 |
13 |
12779 |
483.7 |
-1.8 |
0.440 |
5 |
1 |
0 |
0.009 |
54 |
|
I |
47 |
11 |
9947 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
12798 |
475.8 |
-1.8 |
0.439 |
5 |
1 |
0 |
0.009 |
Average: |
479.7 |
-1.8 |
0.439 |
5 |
1 |
0 |
0.009 |
29 |
55 |
|
b |
59 |
16 |
9558 |
◊ |
T |
x,y,z |
1_555 |
45 |
12 |
12410 |
471.6 |
-2.1 |
0.466 |
5 |
1 |
0 |
0.010 |
56 |
|
N |
58 |
16 |
9559 |
◊ |
F |
x,y,z |
1_555 |
46 |
12 |
12408 |
471.3 |
-2.1 |
0.466 |
5 |
1 |
0 |
0.010 |
Average: |
471.4 |
-2.1 |
0.466 |
5 |
1 |
0 |
0.010 |
30 |
57 |
|
N |
48 |
16 |
9559 |
◊ |
H |
x,y,z |
1_555 |
54 |
20 |
13736 |
462.9 |
-1.5 |
0.606 |
9 |
5 |
0 |
0.080 |
58 |
|
b |
49 |
17 |
9558 |
◊ |
V |
x,y,z |
1_555 |
54 |
20 |
13731 |
458.1 |
-1.5 |
0.609 |
9 |
5 |
0 |
0.080 |
Average: |
460.5 |
-1.5 |
0.608 |
9 |
5 |
0 |
0.080 |
31 |
59 |
|
N |
53 |
13 |
9559 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
12809 |
459.5 |
-2.1 |
0.458 |
3 |
1 |
0 |
0.026 |
60 |
|
b |
52 |
13 |
9558 |
◊ |
U |
x,y,z |
1_555 |
49 |
13 |
12815 |
455.0 |
-1.5 |
0.517 |
3 |
1 |
0 |
0.026 |
Average: |
457.2 |
-1.8 |
0.488 |
3 |
1 |
0 |
0.026 |
32 |
61 |
|
M |
52 |
12 |
12581 |
◊ |
F |
x,y,z |
1_555 |
59 |
16 |
12408 |
457.3 |
0.1 |
0.686 |
8 |
7 |
0 |
0.010 |
62 |
|
a |
51 |
12 |
12573 |
◊ |
T |
x,y,z |
1_555 |
58 |
16 |
12410 |
447.9 |
0.1 |
0.687 |
8 |
7 |
0 |
0.010 |
Average: |
452.6 |
0.1 |
0.686 |
8 |
7 |
0 |
0.010 |
33 |
63 |
|
K |
38 |
9 |
10398 |
◊ |
D |
x,y,z |
1_555 |
47 |
13 |
12240 |
428.3 |
-3.3 |
0.353 |
3 |
9 |
0 |
0.013 |
64 |
|
Y |
38 |
10 |
10403 |
◊ |
R |
x,y,z |
1_555 |
47 |
13 |
12224 |
423.8 |
-3.4 |
0.351 |
2 |
8 |
0 |
0.013 |
Average: |
426.1 |
-3.4 |
0.352 |
3 |
9 |
0 |
0.013 |
34 |
65 |
|
P |
44 |
15 |
12779 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
55 |
15 |
12240 |
416.4 |
-2.4 |
0.421 |
3 |
0 |
0 |
0.000 |
35 |
66 |
|
J |
41 |
9 |
10179 |
◊ |
C |
x,y,z |
1_555 |
44 |
11 |
12895 |
398.4 |
-2.9 |
0.267 |
5 |
4 |
0 |
0.012 |
67 |
|
X |
41 |
10 |
10196 |
◊ |
Q |
x,y,z |
1_555 |
45 |
11 |
12903 |
393.9 |
-2.9 |
0.265 |
4 |
4 |
0 |
0.012 |
Average: |
396.1 |
-2.9 |
0.266 |
5 |
4 |
0 |
0.012 |
36 |
68 |
|
L |
34 |
8 |
11922 |
◊ |
E |
x,y,z |
1_555 |
44 |
12 |
11787 |
360.8 |
-0.2 |
0.526 |
4 |
2 |
0 |
0.010 |
69 |
|
Z |
33 |
8 |
11951 |
◊ |
S |
x,y,z |
1_555 |
46 |
13 |
11780 |
358.6 |
-0.2 |
0.521 |
4 |
2 |
0 |
0.010 |
Average: |
359.7 |
-0.2 |
0.524 |
4 |
2 |
0 |
0.010 |
37 |
70 |
|
[BO2]V:301 |
26 |
1 |
613 |
cf |
V |
x,y,z |
1_555 |
50 |
20 |
13731 |
352.6 |
0.4 |
0.579 |
7 |
0 |
0 |
0.174 |
71 |
|
[BO2]H:301 |
26 |
1 |
615 |
cf |
H |
x,y,z |
1_555 |
48 |
20 |
13736 |
352.5 |
0.4 |
0.587 |
7 |
0 |
0 |
0.174 |
Average: |
352.6 |
0.4 |
0.583 |
7 |
0 |
0 |
0.174 |
38 |
72 |
|
[BO2]b:201 |
26 |
1 |
591 |
cf |
b |
x,y,z |
1_555 |
51 |
19 |
9558 |
344.0 |
0.1 |
0.432 |
8 |
0 |
0 |
0.097 |
73 |
|
[BO2]N:201 |
26 |
1 |
591 |
cf |
N |
x,y,z |
1_555 |
50 |
19 |
9559 |
341.0 |
0.1 |
0.439 |
8 |
0 |
0 |
0.097 |
Average: |
342.5 |
0.1 |
0.435 |
8 |
0 |
0 |
0.097 |
39 |
74 |
|
[BO2]K:301 |
25 |
1 |
578 |
cf |
K |
x,y,z |
1_555 |
44 |
20 |
10398 |
340.2 |
0.0 |
0.402 |
7 |
0 |
0 |
0.128 |
75 |
|
[BO2]Y:301 |
25 |
1 |
579 |
cf |
Y |
x,y,z |
1_555 |
43 |
20 |
10403 |
339.5 |
0.0 |
0.392 |
7 |
0 |
0 |
0.128 |
Average: |
339.9 |
0.0 |
0.397 |
7 |
0 |
0 |
0.128 |
40 |
76 |
|
K |
34 |
13 |
10398 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
12895 |
333.7 |
2.3 |
0.808 |
6 |
8 |
0 |
0.003 |
77 |
|
Y |
35 |
13 |
10403 |
◊ |
Q |
x,y,z |
1_555 |
39 |
11 |
12903 |
328.8 |
2.3 |
0.808 |
6 |
8 |
0 |
0.003 |
Average: |
331.2 |
2.3 |
0.808 |
6 |
8 |
0 |
0.003 |
41 |
78 |
|
V |
26 |
5 |
13731 |
◊ |
P |
x,y,z |
1_555 |
41 |
11 |
12779 |
282.0 |
-3.3 |
0.331 |
0 |
0 |
0 |
0.007 |
79 |
|
H |
24 |
4 |
13736 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
12798 |
276.5 |
-3.2 |
0.326 |
0 |
0 |
0 |
0.007 |
Average: |
279.3 |
-3.3 |
0.328 |
0 |
0 |
0 |
0.007 |
42 |
80 |
|
U |
36 |
12 |
12815 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
14 |
12809 |
269.5 |
1.7 |
0.750 |
2 |
0 |
0 |
0.000 |
43 |
81 |
|
U |
36 |
12 |
12815 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
13 |
13382 |
262.5 |
1.6 |
0.780 |
2 |
1 |
0 |
0.000 |
44 |
82 |
|
T |
31 |
11 |
12410 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
12 |
12408 |
225.8 |
1.3 |
0.769 |
1 |
2 |
0 |
0.000 |
45 |
83 |
|
R |
35 |
10 |
12224 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
17 |
6 |
12798 |
215.2 |
-2.4 |
0.154 |
3 |
0 |
0 |
0.000 |
46 |
84 |
|
F |
14 |
4 |
12408 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13382 |
142.8 |
-1.6 |
0.405 |
2 |
0 |
0 |
0.032 |
85 |
|
T |
14 |
4 |
12410 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13378 |
141.2 |
-1.7 |
0.400 |
2 |
0 |
0 |
0.032 |
Average: |
142.0 |
-1.6 |
0.403 |
2 |
0 |
0 |
0.032 |
47 |
86 |
|
U |
15 |
3 |
12815 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12779 |
130.6 |
-2.8 |
0.145 |
1 |
0 |
0 |
0.030 |
87 |
|
G |
15 |
3 |
12809 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12798 |
124.6 |
-2.7 |
0.144 |
0 |
0 |
0 |
0.030 |
Average: |
127.6 |
-2.7 |
0.145 |
1 |
0 |
0 |
0.030 |
48 |
88 |
|
F |
15 |
5 |
12408 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12798 |
130.3 |
-0.1 |
0.610 |
1 |
0 |
0 |
0.007 |
89 |
|
T |
15 |
5 |
12410 |
◊ |
P |
x,y,z |
1_555 |
14 |
4 |
12779 |
130.1 |
-0.1 |
0.613 |
1 |
0 |
0 |
0.007 |
Average: |
130.2 |
-0.1 |
0.612 |
1 |
0 |
0 |
0.007 |
49 |
90 |
|
E |
15 |
6 |
11787 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12798 |
123.8 |
0.8 |
0.666 |
2 |
1 |
0 |
0.006 |
91 |
|
S |
14 |
6 |
11780 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
12779 |
119.9 |
0.7 |
0.663 |
2 |
1 |
0 |
0.006 |
Average: |
121.9 |
0.8 |
0.665 |
2 |
1 |
0 |
0.006 |
50 |
92 |
|
R |
15 |
4 |
12224 |
◊ |
P |
x,y,z |
1_555 |
12 |
3 |
12779 |
120.1 |
0.7 |
0.712 |
1 |
2 |
0 |
0.003 |
93 |
|
D |
15 |
4 |
12240 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
12798 |
114.0 |
0.6 |
0.702 |
1 |
2 |
0 |
0.003 |
Average: |
117.0 |
0.7 |
0.707 |
1 |
2 |
0 |
0.003 |
51 |
94 |
|
T |
14 |
5 |
12410 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
12809 |
104.3 |
-0.1 |
0.519 |
2 |
0 |
0 |
0.000 |
52 |
95 |
|
Y |
13 |
3 |
10403 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
13736 |
93.6 |
-1.7 |
0.257 |
0 |
0 |
0 |
0.011 |
96 |
|
K |
14 |
3 |
10398 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
13731 |
92.8 |
-1.7 |
0.279 |
0 |
0 |
0 |
0.011 |
Average: |
93.2 |
-1.7 |
0.268 |
0 |
0 |
0 |
0.011 |
53 |
97 |
|
Q |
15 |
4 |
12903 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13378 |
86.9 |
-1.2 |
0.392 |
0 |
0 |
0 |
0.009 |
98 |
|
C |
14 |
4 |
12895 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13382 |
80.8 |
-1.0 |
0.409 |
0 |
0 |
0 |
0.009 |
Average: |
83.9 |
-1.1 |
0.401 |
0 |
0 |
0 |
0.009 |
54 |
99 |
|
a |
8 |
3 |
12573 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12809 |
73.3 |
1.2 |
0.729 |
0 |
0 |
0 |
0.000 |
100 |
|
M |
8 |
3 |
12581 |
◊ |
U |
x,y,z |
1_555 |
8 |
4 |
12815 |
73.2 |
1.1 |
0.715 |
0 |
0 |
0 |
0.000 |
Average: |
73.3 |
1.1 |
0.722 |
0 |
0 |
0 |
0.000 |
55 |
101 |
|
T |
6 |
2 |
12410 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
11787 |
70.6 |
-0.1 |
0.535 |
2 |
0 |
0 |
0.000 |
56 |
102 |
|
[BO2]H:301 |
8 |
1 |
615 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
9947 |
63.3 |
0.6 |
0.330 |
0 |
0 |
0 |
0.000 |
103 |
|
[BO2]V:301 |
8 |
1 |
613 |
◊ |
W |
x,y,z |
1_555 |
9 |
3 |
9946 |
61.2 |
0.6 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
62.2 |
0.6 |
0.340 |
0 |
0 |
0 |
0.000 |
57 |
104 |
|
[BO2]b:201 |
3 |
1 |
591 |
◊ |
V |
x,y,z |
1_555 |
9 |
3 |
13731 |
58.0 |
2.8 |
0.884 |
0 |
0 |
0 |
0.000 |
105 |
|
[BO2]N:201 |
3 |
1 |
591 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
13736 |
57.4 |
2.8 |
0.888 |
0 |
0 |
0 |
0.000 |
Average: |
57.7 |
2.8 |
0.886 |
0 |
0 |
0 |
0.000 |
58 |
106 |
|
E |
5 |
2 |
11787 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13382 |
57.6 |
-0.1 |
0.435 |
1 |
0 |
0 |
0.008 |
107 |
|
S |
5 |
2 |
11780 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13378 |
56.0 |
-0.2 |
0.430 |
1 |
0 |
0 |
0.008 |
Average: |
56.8 |
-0.2 |
0.432 |
1 |
0 |
0 |
0.008 |
59 |
108 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
12809 |
56.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.100 |
109 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
6 |
2 |
12815 |
56.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
56.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.100 |
60 |
110 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
16 |
5 |
10179 |
55.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.100 |
61 |
111 |
|
U |
5 |
2 |
12815 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12408 |
55.7 |
0.5 |
0.739 |
0 |
0 |
0 |
0.000 |
62 |
112 |
|
[CL]N:203 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
9 |
6 |
9559 |
54.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.207 |
113 |
|
[CL]b:202 |
1 |
1 |
125 |
f |
b |
x,y,z |
1_555 |
10 |
7 |
9558 |
53.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.207 |
Average: |
54.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.207 |
63 |
114 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
15 |
8 |
9947 |
52.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.313 |
64 |
115 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
11 |
7 |
11951 |
51.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.296 |
65 |
116 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
6 |
12809 |
51.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.110 |
66 |
117 |
|
[MG]K:303 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
12 |
5 |
10398 |
49.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.228 |
67 |
118 |
|
[MG]N:202 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9559 |
48.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.160 |
68 |
119 |
|
[BO2]Y:301 |
3 |
1 |
579 |
◊ |
Z |
x,y,z |
1_555 |
6 |
3 |
11951 |
47.1 |
0.8 |
0.592 |
0 |
0 |
0 |
0.000 |
120 |
|
[BO2]K:301 |
3 |
1 |
578 |
◊ |
L |
x,y,z |
1_555 |
5 |
3 |
11922 |
46.2 |
0.8 |
0.577 |
0 |
0 |
0 |
0.000 |
Average: |
46.7 |
0.8 |
0.585 |
0 |
0 |
0 |
0.000 |
69 |
121 |
|
[MG]K:302 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
7 |
10398 |
41.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.197 |
70 |
122 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13736 |
34.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.029 |
123 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13731 |
34.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
34.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.029 |
71 |
124 |
|
[MG]K:302 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
9946 |
30.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.102 |
72 |
125 |
|
[MG]J:201 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
3 |
9947 |
25.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.018 |
73 |
126 |
|
R |
4 |
1 |
12224 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13378 |
25.7 |
0.3 |
0.686 |
1 |
0 |
0 |
0.001 |
127 |
|
D |
4 |
1 |
12240 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13382 |
23.4 |
0.2 |
0.699 |
1 |
0 |
0 |
0.001 |
Average: |
24.5 |
0.3 |
0.693 |
1 |
0 |
0 |
0.001 |
74 |
128 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12573 |
23.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.061 |
75 |
129 |
|
[BO2]N:201 |
2 |
1 |
591 |
f |
[CL]N:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.050 |
130 |
|
[BO2]b:201 |
2 |
1 |
591 |
f |
[CL]b:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
21.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.050 |
76 |
131 |
|
[CL]b:202 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
3 |
13731 |
19.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.021 |
132 |
|
[CL]N:203 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
3 |
13736 |
19.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
19.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.021 |
77 |
133 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
3 |
2 |
10403 |
19.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.078 |
78 |
134 |
|
[CL]b:202 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
12581 |
17.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.054 |
135 |
|
[CL]N:203 |
1 |
1 |
125 |
◊ |
a |
x,y,z |
1_555 |
3 |
1 |
12573 |
15.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
16.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.054 |
79 |
136 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
13736 |
14.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.039 |
80 |
137 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13378 |
8.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
138 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13382 |
8.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
81 |
139 |
|
S |
2 |
1 |
11780 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12895 |
3.4 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
|