## |
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 |
173 |
50 |
9903 |
◊ |
H |
x,y,z |
1_555 |
157 |
41 |
13121 |
1563.2 |
-13.6 |
0.296 |
29 |
18 |
0 |
1.000 |
2 |
|
W |
170 |
46 |
9861 |
◊ |
V |
x,y,z |
1_555 |
152 |
41 |
13184 |
1550.8 |
-13.6 |
0.286 |
30 |
18 |
0 |
1.000 |
Average: |
1557.0 |
-13.6 |
0.291 |
30 |
18 |
0 |
1.000 |
2 |
3 |
|
G |
160 |
40 |
12784 |
◊ |
A |
x,y,z |
1_555 |
143 |
38 |
13491 |
1454.3 |
-16.6 |
0.127 |
12 |
2 |
0 |
0.590 |
4 |
|
U |
154 |
40 |
12860 |
◊ |
O |
x,y,z |
1_555 |
144 |
38 |
13428 |
1419.9 |
-15.5 |
0.153 |
14 |
4 |
0 |
0.590 |
Average: |
1437.1 |
-16.1 |
0.140 |
13 |
3 |
0 |
0.590 |
3 |
5 |
|
C |
142 |
35 |
13251 |
◊ |
B |
x,y,z |
1_555 |
165 |
39 |
12110 |
1436.0 |
-11.8 |
0.194 |
15 |
2 |
0 |
1.000 |
6 |
|
Q |
143 |
33 |
13288 |
◊ |
P |
x,y,z |
1_555 |
165 |
39 |
12222 |
1406.4 |
-14.0 |
0.131 |
16 |
2 |
0 |
1.000 |
Average: |
1421.2 |
-12.9 |
0.163 |
16 |
2 |
0 |
1.000 |
4 |
7 |
|
Z |
155 |
38 |
11880 |
◊ |
H |
x,y,z |
1_555 |
138 |
34 |
13121 |
1401.4 |
-5.4 |
0.538 |
18 |
6 |
0 |
0.524 |
8 |
|
L |
161 |
39 |
11759 |
◊ |
V |
x,y,z |
1_555 |
130 |
34 |
13184 |
1395.8 |
-4.1 |
0.583 |
18 |
4 |
0 |
0.524 |
Average: |
1398.6 |
-4.7 |
0.560 |
18 |
5 |
0 |
0.524 |
5 |
9 |
|
U |
140 |
33 |
12860 |
◊ |
T |
x,y,z |
1_555 |
147 |
36 |
12042 |
1351.1 |
-13.0 |
0.179 |
14 |
1 |
0 |
1.000 |
10 |
|
G |
140 |
32 |
12784 |
◊ |
F |
x,y,z |
1_555 |
146 |
35 |
12171 |
1315.6 |
-12.9 |
0.181 |
15 |
3 |
0 |
1.000 |
Average: |
1333.4 |
-13.0 |
0.180 |
15 |
2 |
0 |
1.000 |
6 |
11 |
|
2 |
138 |
40 |
9664 |
◊ |
M |
x,y,z |
1_555 |
131 |
28 |
12608 |
1305.6 |
-7.8 |
0.377 |
25 |
6 |
0 |
1.000 |
12 |
|
N |
137 |
39 |
9629 |
◊ |
1 |
x,y,z |
1_555 |
134 |
28 |
12539 |
1298.8 |
-7.0 |
0.422 |
24 |
8 |
0 |
1.000 |
Average: |
1302.2 |
-7.4 |
0.399 |
25 |
7 |
0 |
1.000 |
7 |
13 |
|
R |
131 |
33 |
12986 |
◊ |
Q |
x,y,z |
1_555 |
141 |
38 |
13288 |
1294.2 |
-11.9 |
0.138 |
15 |
2 |
0 |
0.351 |
14 |
|
D |
120 |
34 |
13003 |
◊ |
C |
x,y,z |
1_555 |
140 |
38 |
13251 |
1265.6 |
-12.6 |
0.095 |
15 |
2 |
0 |
0.351 |
Average: |
1279.9 |
-12.2 |
0.116 |
15 |
2 |
0 |
0.351 |
8 |
15 |
|
T |
133 |
32 |
12042 |
◊ |
S |
x,y,z |
1_555 |
140 |
38 |
12020 |
1280.1 |
-11.4 |
0.204 |
13 |
5 |
0 |
0.480 |
16 |
|
F |
135 |
32 |
12171 |
◊ |
E |
x,y,z |
1_555 |
141 |
37 |
11977 |
1279.9 |
-10.9 |
0.219 |
12 |
4 |
0 |
0.480 |
Average: |
1280.0 |
-11.1 |
0.212 |
13 |
5 |
0 |
0.480 |
9 |
17 |
|
E |
132 |
37 |
11977 |
◊ |
D |
x,y,z |
1_555 |
126 |
37 |
13003 |
1231.6 |
-8.4 |
0.256 |
15 |
5 |
0 |
0.316 |
18 |
|
S |
131 |
36 |
12020 |
◊ |
R |
x,y,z |
1_555 |
126 |
34 |
12986 |
1214.1 |
-12.2 |
0.122 |
9 |
5 |
0 |
0.316 |
Average: |
1222.9 |
-10.3 |
0.189 |
12 |
5 |
0 |
0.316 |
10 |
19 |
|
P |
124 |
32 |
12222 |
◊ |
O |
x,y,z |
1_555 |
138 |
40 |
13428 |
1221.4 |
-12.9 |
0.194 |
15 |
1 |
0 |
1.000 |
20 |
|
B |
124 |
31 |
12110 |
◊ |
A |
x,y,z |
1_555 |
135 |
39 |
13491 |
1174.9 |
-13.0 |
0.205 |
13 |
1 |
0 |
1.000 |
Average: |
1198.2 |
-13.0 |
0.200 |
14 |
1 |
0 |
1.000 |
11 |
21 |
|
Y |
106 |
27 |
10289 |
◊ |
I |
x,y,z |
1_555 |
105 |
25 |
9903 |
999.3 |
-3.9 |
0.548 |
16 |
5 |
0 |
0.541 |
22 |
|
K |
107 |
28 |
10234 |
◊ |
W |
x,y,z |
1_555 |
107 |
26 |
9861 |
985.2 |
-2.3 |
0.671 |
18 |
7 |
0 |
0.541 |
Average: |
992.2 |
-3.1 |
0.610 |
17 |
6 |
0 |
0.541 |
12 |
23 |
|
M |
96 |
28 |
12608 |
◊ |
L |
x,y,z |
1_555 |
98 |
30 |
11759 |
959.4 |
0.9 |
0.744 |
14 |
11 |
0 |
0.152 |
24 |
|
1 |
98 |
28 |
12539 |
◊ |
Z |
x,y,z |
1_555 |
95 |
30 |
11880 |
951.0 |
0.5 |
0.666 |
13 |
11 |
0 |
0.152 |
Average: |
955.2 |
0.7 |
0.705 |
14 |
11 |
0 |
0.152 |
13 |
25 |
|
M |
89 |
24 |
12608 |
◊ |
V |
x,y,z |
1_555 |
107 |
28 |
13184 |
925.0 |
-9.1 |
0.281 |
5 |
2 |
0 |
0.255 |
26 |
|
1 |
88 |
24 |
12539 |
◊ |
H |
x,y,z |
1_555 |
107 |
27 |
13121 |
923.2 |
-10.2 |
0.224 |
3 |
1 |
0 |
0.255 |
Average: |
924.1 |
-9.7 |
0.252 |
4 |
2 |
0 |
0.255 |
14 |
27 |
|
K |
92 |
23 |
10234 |
◊ |
X |
x,y,z |
1_555 |
87 |
19 |
10542 |
787.2 |
-1.8 |
0.543 |
8 |
11 |
0 |
0.185 |
28 |
|
Y |
90 |
22 |
10289 |
◊ |
J |
x,y,z |
1_555 |
86 |
19 |
10498 |
770.7 |
-2.6 |
0.538 |
8 |
11 |
0 |
0.185 |
Average: |
779.0 |
-2.2 |
0.541 |
8 |
11 |
0 |
0.185 |
15 |
29 |
|
L |
82 |
20 |
11759 |
◊ |
W |
x,y,z |
1_555 |
84 |
20 |
9861 |
700.3 |
-4.0 |
0.408 |
7 |
7 |
0 |
0.118 |
30 |
|
Z |
85 |
21 |
11880 |
◊ |
I |
x,y,z |
1_555 |
83 |
20 |
9903 |
698.4 |
-2.8 |
0.471 |
7 |
5 |
0 |
0.118 |
Average: |
699.3 |
-3.4 |
0.439 |
7 |
6 |
0 |
0.118 |
16 |
31 |
|
X |
77 |
19 |
10542 |
◊ |
J |
x,y,z |
1_555 |
80 |
19 |
10498 |
699.0 |
-3.0 |
0.439 |
15 |
1 |
0 |
0.099 |
17 |
32 |
|
Z |
73 |
22 |
11880 |
◊ |
Y |
x,y,z |
1_555 |
78 |
22 |
10289 |
684.3 |
-2.7 |
0.418 |
14 |
6 |
0 |
0.162 |
33 |
|
L |
70 |
21 |
11759 |
◊ |
K |
x,y,z |
1_555 |
68 |
21 |
10234 |
654.7 |
-3.2 |
0.347 |
13 |
5 |
0 |
0.162 |
Average: |
669.5 |
-2.9 |
0.382 |
14 |
6 |
0 |
0.162 |
18 |
34 |
|
Y |
77 |
26 |
10289 |
◊ |
X |
x,y,z |
1_555 |
62 |
18 |
10542 |
678.6 |
-1.3 |
0.582 |
5 |
7 |
0 |
0.089 |
35 |
|
K |
75 |
23 |
10234 |
◊ |
J |
x,y,z |
1_555 |
62 |
18 |
10498 |
645.5 |
-0.9 |
0.639 |
6 |
5 |
0 |
0.089 |
Average: |
662.0 |
-1.1 |
0.611 |
6 |
6 |
0 |
0.089 |
19 |
36 |
|
V |
62 |
17 |
13184 |
◊ |
O |
x,y,z |
1_555 |
69 |
19 |
13428 |
651.5 |
-4.6 |
0.452 |
8 |
1 |
0 |
0.219 |
37 |
|
H |
65 |
17 |
13121 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
13491 |
650.2 |
-5.2 |
0.446 |
9 |
2 |
0 |
0.219 |
Average: |
650.8 |
-4.9 |
0.449 |
9 |
2 |
0 |
0.219 |
20 |
38 |
|
H |
60 |
15 |
13121 |
◊ |
G |
x,y,z |
1_555 |
67 |
17 |
12784 |
643.8 |
-1.1 |
0.582 |
10 |
12 |
0 |
0.192 |
39 |
|
V |
65 |
15 |
13184 |
◊ |
U |
x,y,z |
1_555 |
69 |
17 |
12860 |
641.7 |
-0.9 |
0.598 |
10 |
13 |
0 |
0.192 |
Average: |
642.7 |
-1.0 |
0.590 |
10 |
13 |
0 |
0.192 |
21 |
40 |
|
N |
71 |
15 |
9629 |
◊ |
2 |
x,y,z |
1_555 |
69 |
16 |
9664 |
638.8 |
-4.4 |
0.348 |
11 |
6 |
0 |
0.058 |
22 |
41 |
|
N |
64 |
19 |
9629 |
◊ |
M |
x,y,z |
1_555 |
71 |
21 |
12608 |
616.8 |
-1.2 |
0.606 |
7 |
1 |
0 |
0.057 |
42 |
|
2 |
61 |
19 |
9664 |
◊ |
1 |
x,y,z |
1_555 |
67 |
20 |
12539 |
606.3 |
-2.4 |
0.522 |
7 |
1 |
0 |
0.057 |
Average: |
611.5 |
-1.8 |
0.564 |
7 |
1 |
0 |
0.057 |
23 |
43 |
|
M |
69 |
19 |
12608 |
◊ |
E |
x,y,z |
1_555 |
59 |
14 |
11977 |
611.4 |
-2.9 |
0.462 |
7 |
2 |
0 |
0.023 |
44 |
|
1 |
69 |
19 |
12539 |
◊ |
S |
x,y,z |
1_555 |
57 |
14 |
12020 |
592.9 |
-3.3 |
0.449 |
5 |
2 |
0 |
0.023 |
Average: |
602.1 |
-3.1 |
0.455 |
6 |
2 |
0 |
0.023 |
24 |
45 |
|
J |
63 |
21 |
10498 |
◊ |
I |
x,y,z |
1_555 |
62 |
24 |
9903 |
585.0 |
-4.4 |
0.307 |
9 |
3 |
0 |
0.265 |
46 |
|
X |
59 |
20 |
10542 |
◊ |
W |
x,y,z |
1_555 |
68 |
25 |
9861 |
584.7 |
-5.6 |
0.241 |
9 |
3 |
0 |
0.265 |
Average: |
584.9 |
-5.0 |
0.274 |
9 |
3 |
0 |
0.265 |
25 |
47 |
|
Z |
57 |
15 |
11880 |
◊ |
R |
x,y,z |
1_555 |
58 |
15 |
12986 |
542.6 |
2.2 |
0.773 |
10 |
3 |
0 |
0.009 |
48 |
|
L |
56 |
15 |
11759 |
◊ |
D |
x,y,z |
1_555 |
55 |
15 |
13003 |
519.9 |
1.7 |
0.741 |
9 |
3 |
0 |
0.009 |
Average: |
531.3 |
2.0 |
0.757 |
10 |
3 |
0 |
0.009 |
26 |
49 |
|
X |
59 |
15 |
10542 |
◊ |
P |
x,y,z |
1_555 |
51 |
13 |
12222 |
538.6 |
-1.0 |
0.495 |
13 |
2 |
0 |
0.022 |
50 |
|
J |
59 |
15 |
10498 |
◊ |
B |
x,y,z |
1_555 |
53 |
12 |
12110 |
522.9 |
0.2 |
0.616 |
12 |
3 |
0 |
0.022 |
Average: |
530.7 |
-0.4 |
0.555 |
13 |
3 |
0 |
0.022 |
27 |
51 |
|
W |
56 |
16 |
9861 |
◊ |
O |
x,y,z |
1_555 |
47 |
12 |
13428 |
520.9 |
-2.3 |
0.514 |
6 |
1 |
0 |
0.018 |
52 |
|
I |
58 |
17 |
9903 |
◊ |
A |
x,y,z |
1_555 |
44 |
12 |
13491 |
520.2 |
-2.7 |
0.487 |
6 |
1 |
0 |
0.018 |
Average: |
520.5 |
-2.5 |
0.501 |
6 |
1 |
0 |
0.018 |
28 |
53 |
|
N |
54 |
18 |
9629 |
◊ |
H |
x,y,z |
1_555 |
53 |
20 |
13121 |
495.5 |
-1.7 |
0.611 |
8 |
5 |
0 |
0.081 |
54 |
|
2 |
53 |
17 |
9664 |
◊ |
V |
x,y,z |
1_555 |
51 |
20 |
13184 |
486.4 |
-1.8 |
0.595 |
8 |
5 |
0 |
0.081 |
Average: |
490.9 |
-1.8 |
0.603 |
8 |
5 |
0 |
0.081 |
29 |
55 |
|
W |
47 |
11 |
9861 |
◊ |
P |
x,y,z |
1_555 |
57 |
14 |
12222 |
494.6 |
-2.8 |
0.452 |
6 |
0 |
0 |
0.021 |
56 |
|
I |
45 |
11 |
9903 |
◊ |
B |
x,y,z |
1_555 |
52 |
13 |
12110 |
472.3 |
-3.3 |
0.395 |
7 |
0 |
0 |
0.021 |
Average: |
483.5 |
-3.1 |
0.424 |
7 |
0 |
0 |
0.021 |
30 |
57 |
|
P |
50 |
16 |
12222 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
53 |
15 |
13003 |
463.7 |
-1.3 |
0.514 |
6 |
2 |
0 |
0.000 |
31 |
58 |
|
N |
60 |
17 |
9629 |
◊ |
F |
x,y,z |
1_555 |
49 |
11 |
12171 |
460.2 |
-2.3 |
0.501 |
8 |
3 |
0 |
0.022 |
59 |
|
2 |
60 |
18 |
9664 |
◊ |
T |
x,y,z |
1_555 |
47 |
11 |
12042 |
447.7 |
-2.1 |
0.512 |
6 |
2 |
0 |
0.022 |
Average: |
453.9 |
-2.2 |
0.507 |
7 |
3 |
0 |
0.022 |
32 |
60 |
|
2 |
49 |
13 |
9664 |
◊ |
U |
x,y,z |
1_555 |
50 |
13 |
12860 |
426.1 |
-2.6 |
0.416 |
3 |
2 |
0 |
0.015 |
61 |
|
N |
47 |
13 |
9629 |
◊ |
G |
x,y,z |
1_555 |
50 |
13 |
12784 |
426.0 |
-2.0 |
0.471 |
3 |
2 |
0 |
0.015 |
Average: |
426.1 |
-2.3 |
0.443 |
3 |
2 |
0 |
0.015 |
33 |
62 |
|
K |
36 |
10 |
10234 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
13003 |
422.4 |
-2.4 |
0.438 |
4 |
8 |
0 |
0.020 |
63 |
|
Y |
36 |
10 |
10289 |
◊ |
R |
x,y,z |
1_555 |
46 |
13 |
12986 |
412.9 |
-3.1 |
0.383 |
4 |
8 |
0 |
0.020 |
Average: |
417.6 |
-2.8 |
0.411 |
4 |
8 |
0 |
0.020 |
34 |
64 |
|
M |
46 |
12 |
12608 |
◊ |
F |
x,y,z |
1_555 |
50 |
15 |
12171 |
415.5 |
-0.5 |
0.639 |
8 |
7 |
0 |
0.017 |
65 |
|
1 |
45 |
12 |
12539 |
◊ |
T |
x,y,z |
1_555 |
49 |
16 |
12042 |
402.3 |
-0.4 |
0.629 |
6 |
7 |
0 |
0.017 |
Average: |
408.9 |
-0.4 |
0.634 |
7 |
7 |
0 |
0.017 |
35 |
66 |
|
X |
41 |
8 |
10542 |
◊ |
Q |
x,y,z |
1_555 |
46 |
11 |
13288 |
411.6 |
-3.0 |
0.277 |
7 |
3 |
0 |
0.021 |
67 |
|
J |
40 |
9 |
10498 |
◊ |
C |
x,y,z |
1_555 |
48 |
11 |
13251 |
406.4 |
-2.6 |
0.287 |
5 |
5 |
0 |
0.021 |
Average: |
409.0 |
-2.8 |
0.282 |
6 |
4 |
0 |
0.021 |
36 |
68 |
|
Z |
33 |
8 |
11880 |
◊ |
S |
x,y,z |
1_555 |
52 |
13 |
12020 |
358.3 |
0.8 |
0.658 |
4 |
2 |
0 |
0.007 |
69 |
|
L |
31 |
8 |
11759 |
◊ |
E |
x,y,z |
1_555 |
50 |
13 |
11977 |
356.5 |
0.1 |
0.594 |
5 |
2 |
0 |
0.007 |
Average: |
357.4 |
0.4 |
0.626 |
5 |
2 |
0 |
0.007 |
37 |
70 |
|
U |
45 |
13 |
12860 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
12 |
13491 |
356.8 |
4.2 |
0.915 |
5 |
2 |
0 |
0.000 |
38 |
71 |
|
[3OE]K:213 |
26 |
1 |
897 |
◊ |
K |
x,y,z |
1_555 |
40 |
19 |
10234 |
348.3 |
0.7 |
0.519 |
4 |
0 |
0 |
0.015 |
72 |
|
[3OE]Y:212 |
28 |
1 |
887 |
◊ |
Y |
x,y,z |
1_555 |
40 |
19 |
10289 |
338.9 |
1.0 |
0.548 |
4 |
0 |
0 |
0.015 |
Average: |
343.6 |
0.9 |
0.533 |
4 |
0 |
0 |
0.015 |
39 |
73 |
|
Y |
30 |
13 |
10289 |
◊ |
Q |
x,y,z |
1_555 |
33 |
10 |
13288 |
305.4 |
1.9 |
0.806 |
6 |
9 |
0 |
0.006 |
74 |
|
K |
29 |
13 |
10234 |
◊ |
C |
x,y,z |
1_555 |
27 |
9 |
13251 |
302.9 |
2.7 |
0.856 |
7 |
7 |
0 |
0.006 |
Average: |
304.1 |
2.3 |
0.831 |
7 |
8 |
0 |
0.006 |
40 |
75 |
|
T |
29 |
11 |
12042 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
10 |
12171 |
279.9 |
2.2 |
0.822 |
6 |
5 |
0 |
0.000 |
41 |
76 |
|
R |
40 |
13 |
12986 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
24 |
9 |
12110 |
268.3 |
-1.1 |
0.427 |
3 |
1 |
0 |
0.000 |
42 |
77 |
|
U |
34 |
12 |
12860 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
14 |
12784 |
265.7 |
0.4 |
0.614 |
1 |
0 |
0 |
0.000 |
43 |
78 |
|
F |
28 |
7 |
12171 |
◊ |
A |
x,y,z |
1_555 |
21 |
4 |
13491 |
215.6 |
-2.7 |
0.337 |
1 |
0 |
0 |
0.083 |
79 |
|
T |
28 |
7 |
12042 |
◊ |
O |
x,y,z |
1_555 |
21 |
4 |
13428 |
203.2 |
-3.3 |
0.239 |
1 |
0 |
0 |
0.083 |
Average: |
209.4 |
-3.0 |
0.288 |
1 |
0 |
0 |
0.083 |
44 |
80 |
|
[3OE]K:213 |
21 |
1 |
897 |
f |
L |
x,y,z |
1_555 |
18 |
7 |
11759 |
202.0 |
-4.1 |
0.228 |
1 |
0 |
0 |
0.166 |
81 |
|
[3OE]Y:212 |
20 |
1 |
887 |
f |
Z |
x,y,z |
1_555 |
21 |
7 |
11880 |
199.1 |
-4.1 |
0.223 |
1 |
0 |
0 |
0.166 |
Average: |
200.6 |
-4.1 |
0.225 |
1 |
0 |
0 |
0.166 |
45 |
82 |
|
T |
22 |
6 |
12042 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
11977 |
167.0 |
-2.4 |
0.228 |
0 |
0 |
0 |
0.000 |
46 |
83 |
|
[MES]K:214 |
11 |
1 |
341 |
◊ |
K |
x,y,z |
1_555 |
25 |
8 |
10234 |
154.6 |
2.8 |
0.088 |
0 |
0 |
0 |
0.000 |
47 |
84 |
|
[MES]Y:213 |
12 |
1 |
338 |
◊ |
Y |
x,y,z |
1_555 |
27 |
9 |
10289 |
151.7 |
2.5 |
0.054 |
0 |
0 |
0 |
0.000 |
48 |
85 |
|
K |
15 |
3 |
10234 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
13184 |
105.2 |
-1.6 |
0.305 |
0 |
0 |
0 |
0.019 |
86 |
|
Y |
14 |
3 |
10289 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
13121 |
96.3 |
-1.8 |
0.215 |
0 |
0 |
0 |
0.019 |
Average: |
100.7 |
-1.7 |
0.260 |
0 |
0 |
0 |
0.019 |
49 |
87 |
|
T |
13 |
4 |
12042 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12784 |
90.1 |
0.3 |
0.607 |
1 |
0 |
0 |
0.000 |
50 |
88 |
|
Q |
15 |
3 |
13288 |
◊ |
O |
x,y,z |
1_555 |
8 |
2 |
13428 |
87.7 |
-1.5 |
0.331 |
0 |
0 |
0 |
0.028 |
89 |
|
C |
17 |
4 |
13251 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
13491 |
86.4 |
-1.6 |
0.308 |
0 |
0 |
0 |
0.028 |
Average: |
87.0 |
-1.6 |
0.319 |
0 |
0 |
0 |
0.028 |
51 |
90 |
|
M |
8 |
3 |
12608 |
◊ |
U |
x,y,z |
1_555 |
8 |
4 |
12860 |
70.3 |
1.1 |
0.740 |
1 |
0 |
0 |
0.000 |
91 |
|
1 |
7 |
3 |
12539 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
12784 |
69.9 |
1.0 |
0.724 |
0 |
0 |
0 |
0.000 |
Average: |
70.1 |
1.1 |
0.732 |
1 |
0 |
0 |
0.000 |
52 |
92 |
|
[MES]K:214 |
7 |
1 |
341 |
f |
[3OE]K:213 |
x,y,z |
1_555 |
9 |
1 |
897 |
67.7 |
1.4 |
0.083 |
0 |
0 |
0 |
0.000 |
53 |
93 |
|
U |
7 |
2 |
12860 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
12171 |
59.3 |
0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
54 |
94 |
|
[MES]Y:213 |
6 |
1 |
338 |
f |
[3OE]Y:212 |
x,y,z |
1_555 |
8 |
1 |
887 |
58.9 |
1.2 |
0.130 |
0 |
0 |
0 |
0.000 |
55 |
95 |
|
[MG]F:242 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
12171 |
56.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.183 |
56 |
96 |
|
[MG]I:196 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
13 |
8 |
9903 |
55.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.310 |
57 |
97 |
|
E |
6 |
2 |
11977 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13491 |
53.9 |
-0.3 |
0.432 |
0 |
0 |
0 |
0.002 |
98 |
|
S |
6 |
2 |
12020 |
◊ |
O |
x,y,z |
1_555 |
5 |
1 |
13428 |
49.1 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.002 |
Average: |
51.5 |
-0.3 |
0.448 |
0 |
0 |
0 |
0.002 |
58 |
99 |
|
[MG]L:195 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
11 |
7 |
11759 |
51.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.201 |
59 |
100 |
|
[MG]L:196 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
11759 |
50.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.249 |
60 |
101 |
|
[MG]G:1 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
4 |
3 |
12784 |
49.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.206 |
61 |
102 |
|
[MG]N:188 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9629 |
48.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.263 |
62 |
103 |
|
V |
4 |
1 |
13184 |
◊ |
P |
x,y,z |
1_555 |
6 |
2 |
12222 |
45.9 |
0.2 |
0.550 |
0 |
0 |
0 |
0.000 |
104 |
|
H |
5 |
1 |
13121 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12110 |
39.3 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
Average: |
42.6 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
63 |
105 |
|
[MG]H:224 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
13121 |
42.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.247 |
64 |
106 |
|
[MG]K:212 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10234 |
42.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.319 |
65 |
107 |
|
[MG]I:195 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
9903 |
37.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.180 |
66 |
108 |
|
[MG]F:243 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
12784 |
36.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.088 |
67 |
109 |
|
[MG]F:243 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
12171 |
35.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.096 |
68 |
110 |
|
[MG]L:195 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
13003 |
30.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.005 |
69 |
111 |
|
[MG]H:224 |
1 |
1 |
98 |
◊ |
Z |
x,y,z |
1_555 |
5 |
2 |
11880 |
27.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.108 |
70 |
112 |
|
[MG]K:212 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
9861 |
27.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.140 |
71 |
113 |
|
[MG]N:188 |
1 |
1 |
98 |
◊ |
1 |
x,y,z |
1_555 |
1 |
1 |
12539 |
20.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.084 |
72 |
114 |
|
[MG]L:196 |
1 |
1 |
98 |
◊ |
V |
x,y,z |
1_555 |
4 |
2 |
13184 |
17.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.047 |
73 |
115 |
|
[MG]I:196 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
10289 |
15.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.053 |
74 |
116 |
|
[MG]F:243 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13491 |
13.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.019 |
75 |
117 |
|
R |
2 |
2 |
12986 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
13428 |
5.1 |
0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
76 |
118 |
|
P |
1 |
1 |
12222 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
13251 |
3.0 |
0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
|