| ## |
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 |
179 |
48 |
9882 |
◊ |
H |
x,y,z |
1_555 |
156 |
39 |
12744 |
1567.3 |
-14.5 |
0.314 |
25 |
17 |
0 |
0.364 |
2 |
|
W |
176 |
47 |
9875 |
◊ |
V |
x,y,z |
1_555 |
155 |
40 |
12724 |
1558.5 |
-14.3 |
0.324 |
25 |
17 |
0 |
0.364 |
| Average: |
1562.9 |
-14.4 |
0.319 |
25 |
17 |
0 |
0.364 |
| 2 |
3 |
|
C |
146 |
34 |
12754 |
◊ |
B |
x,y,z |
1_555 |
179 |
42 |
12780 |
1541.2 |
-10.1 |
0.256 |
22 |
3 |
0 |
0.367 |
4 |
|
Q |
143 |
32 |
12779 |
◊ |
P |
x,y,z |
1_555 |
176 |
42 |
12775 |
1504.4 |
-10.1 |
0.251 |
20 |
3 |
0 |
0.367 |
| Average: |
1522.8 |
-10.1 |
0.254 |
21 |
3 |
0 |
0.367 |
| 3 |
5 |
|
U |
155 |
40 |
12697 |
◊ |
O |
x,y,z |
1_555 |
137 |
37 |
12625 |
1412.0 |
-16.8 |
0.085 |
14 |
1 |
0 |
0.243 |
6 |
|
G |
157 |
41 |
12677 |
◊ |
A |
x,y,z |
1_555 |
141 |
38 |
12650 |
1397.1 |
-16.6 |
0.094 |
13 |
1 |
0 |
0.243 |
| Average: |
1404.6 |
-16.7 |
0.090 |
14 |
1 |
0 |
0.243 |
| 4 |
7 |
|
P |
151 |
39 |
12775 |
◊ |
O |
x,y,z |
1_555 |
163 |
42 |
12625 |
1391.2 |
-15.3 |
0.152 |
15 |
1 |
0 |
0.232 |
8 |
|
B |
150 |
39 |
12780 |
◊ |
A |
x,y,z |
1_555 |
162 |
42 |
12650 |
1386.8 |
-15.3 |
0.148 |
15 |
1 |
0 |
0.232 |
| Average: |
1389.0 |
-15.3 |
0.150 |
15 |
1 |
0 |
0.232 |
| 5 |
9 |
|
U |
141 |
33 |
12697 |
◊ |
T |
x,y,z |
1_555 |
162 |
39 |
12313 |
1366.9 |
-13.8 |
0.146 |
19 |
4 |
0 |
0.182 |
10 |
|
G |
140 |
33 |
12677 |
◊ |
F |
x,y,z |
1_555 |
159 |
39 |
12322 |
1364.5 |
-13.7 |
0.146 |
21 |
3 |
0 |
0.182 |
| Average: |
1365.7 |
-13.7 |
0.146 |
20 |
4 |
0 |
0.182 |
| 6 |
11 |
|
Z |
152 |
36 |
11823 |
◊ |
H |
x,y,z |
1_555 |
123 |
35 |
12744 |
1347.6 |
-12.0 |
0.259 |
20 |
3 |
0 |
0.727 |
12 |
|
L |
147 |
35 |
11838 |
◊ |
V |
x,y,z |
1_555 |
123 |
35 |
12724 |
1341.4 |
-11.7 |
0.269 |
20 |
3 |
0 |
0.727 |
| Average: |
1344.5 |
-11.9 |
0.264 |
20 |
3 |
0 |
0.727 |
| 7 |
13 |
|
T |
145 |
33 |
12313 |
◊ |
S |
x,y,z |
1_555 |
144 |
39 |
11706 |
1316.8 |
-13.1 |
0.131 |
17 |
4 |
0 |
1.000 |
14 |
|
F |
146 |
33 |
12322 |
◊ |
E |
x,y,z |
1_555 |
145 |
39 |
11707 |
1312.8 |
-13.2 |
0.129 |
16 |
4 |
0 |
1.000 |
| Average: |
1314.8 |
-13.2 |
0.130 |
17 |
4 |
0 |
1.000 |
| 8 |
15 |
|
D |
130 |
34 |
12137 |
◊ |
C |
x,y,z |
1_555 |
139 |
37 |
12754 |
1284.2 |
-12.0 |
0.130 |
16 |
2 |
0 |
0.560 |
16 |
|
R |
128 |
34 |
12122 |
◊ |
Q |
x,y,z |
1_555 |
138 |
36 |
12779 |
1279.3 |
-11.8 |
0.135 |
15 |
2 |
0 |
0.560 |
| Average: |
1281.8 |
-11.9 |
0.132 |
16 |
2 |
0 |
0.560 |
| 9 |
17 |
|
S |
107 |
30 |
11706 |
◊ |
R |
x,y,z |
1_555 |
114 |
32 |
12122 |
1035.7 |
-9.8 |
0.162 |
11 |
4 |
0 |
1.000 |
18 |
|
E |
106 |
30 |
11707 |
◊ |
D |
x,y,z |
1_555 |
112 |
31 |
12137 |
1006.7 |
-9.8 |
0.153 |
11 |
4 |
0 |
1.000 |
| Average: |
1021.2 |
-9.8 |
0.158 |
11 |
4 |
0 |
1.000 |
| 10 |
19 |
|
K |
113 |
29 |
10256 |
◊ |
W |
x,y,z |
1_555 |
108 |
25 |
9875 |
978.1 |
-4.6 |
0.487 |
17 |
4 |
0 |
0.422 |
20 |
|
Y |
113 |
29 |
10276 |
◊ |
I |
x,y,z |
1_555 |
105 |
24 |
9882 |
974.2 |
-4.6 |
0.483 |
17 |
4 |
0 |
0.422 |
| Average: |
976.1 |
-4.6 |
0.485 |
17 |
4 |
0 |
0.422 |
| 11 |
21 |
|
b |
92 |
28 |
9505 |
◊ |
M |
x,y,z |
1_555 |
100 |
21 |
11489 |
949.8 |
-6.6 |
0.332 |
15 |
3 |
0 |
0.472 |
22 |
|
N |
93 |
28 |
9516 |
◊ |
a |
x,y,z |
1_555 |
97 |
21 |
11480 |
942.7 |
-6.6 |
0.324 |
15 |
3 |
0 |
0.472 |
| Average: |
946.3 |
-6.6 |
0.328 |
15 |
3 |
0 |
0.472 |
| 12 |
23 |
|
M |
95 |
28 |
11489 |
◊ |
L |
x,y,z |
1_555 |
97 |
29 |
11838 |
938.7 |
0.9 |
0.696 |
14 |
9 |
0 |
0.083 |
24 |
|
a |
93 |
28 |
11480 |
◊ |
Z |
x,y,z |
1_555 |
98 |
29 |
11823 |
937.1 |
1.0 |
0.697 |
14 |
9 |
0 |
0.083 |
| Average: |
937.9 |
0.9 |
0.697 |
14 |
9 |
0 |
0.083 |
| 13 |
25 |
|
K |
84 |
24 |
10256 |
◊ |
X |
x,y,z |
1_555 |
85 |
18 |
10064 |
739.8 |
-2.6 |
0.477 |
7 |
10 |
0 |
0.133 |
26 |
|
Y |
83 |
24 |
10276 |
◊ |
J |
x,y,z |
1_555 |
83 |
18 |
10065 |
734.0 |
-2.6 |
0.474 |
9 |
10 |
0 |
0.133 |
| Average: |
736.9 |
-2.6 |
0.475 |
8 |
10 |
0 |
0.133 |
| 14 |
27 |
|
X |
82 |
19 |
10064 |
◊ |
J |
x,y,z |
1_555 |
82 |
19 |
10065 |
718.2 |
-4.3 |
0.377 |
14 |
2 |
0 |
0.094 |
| 15 |
28 |
|
Z |
71 |
21 |
11823 |
◊ |
Y |
x,y,z |
1_555 |
72 |
20 |
10276 |
672.6 |
-2.6 |
0.368 |
11 |
5 |
0 |
0.100 |
29 |
|
L |
73 |
21 |
11838 |
◊ |
K |
x,y,z |
1_555 |
73 |
20 |
10256 |
667.3 |
-2.5 |
0.380 |
10 |
5 |
0 |
0.100 |
| Average: |
669.9 |
-2.6 |
0.374 |
11 |
5 |
0 |
0.100 |
| 16 |
30 |
|
L |
81 |
20 |
11838 |
◊ |
W |
x,y,z |
1_555 |
86 |
20 |
9875 |
672.5 |
-3.8 |
0.397 |
9 |
8 |
0 |
0.118 |
31 |
|
Z |
80 |
20 |
11823 |
◊ |
I |
x,y,z |
1_555 |
84 |
20 |
9882 |
672.4 |
-3.9 |
0.385 |
9 |
8 |
0 |
0.118 |
| Average: |
672.5 |
-3.9 |
0.391 |
9 |
8 |
0 |
0.118 |
| 17 |
32 |
|
N |
70 |
16 |
9516 |
◊ |
b |
x,y,z |
1_555 |
71 |
16 |
9505 |
638.2 |
-4.5 |
0.333 |
9 |
4 |
0 |
0.076 |
| 18 |
33 |
|
N |
63 |
19 |
9516 |
◊ |
M |
x,y,z |
1_555 |
64 |
20 |
11489 |
624.8 |
-0.8 |
0.581 |
9 |
3 |
0 |
0.086 |
34 |
|
b |
63 |
18 |
9505 |
◊ |
a |
x,y,z |
1_555 |
65 |
20 |
11480 |
619.0 |
-0.7 |
0.589 |
9 |
3 |
0 |
0.086 |
| Average: |
621.9 |
-0.8 |
0.585 |
9 |
3 |
0 |
0.086 |
| 19 |
35 |
|
H |
57 |
13 |
12744 |
◊ |
G |
x,y,z |
1_555 |
62 |
15 |
12677 |
621.6 |
1.0 |
0.677 |
11 |
9 |
0 |
0.015 |
36 |
|
V |
57 |
13 |
12724 |
◊ |
U |
x,y,z |
1_555 |
65 |
15 |
12697 |
610.8 |
0.9 |
0.687 |
11 |
9 |
0 |
0.015 |
| Average: |
616.2 |
1.0 |
0.682 |
11 |
9 |
0 |
0.015 |
| 20 |
37 |
|
Y |
71 |
23 |
10276 |
◊ |
X |
x,y,z |
1_555 |
61 |
18 |
10064 |
620.3 |
-1.3 |
0.574 |
6 |
4 |
0 |
0.085 |
38 |
|
K |
70 |
23 |
10256 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
10065 |
619.4 |
-1.3 |
0.573 |
7 |
5 |
0 |
0.085 |
| Average: |
619.9 |
-1.3 |
0.573 |
7 |
5 |
0 |
0.085 |
| 21 |
39 |
|
a |
61 |
15 |
11480 |
◊ |
H |
x,y,z |
1_555 |
74 |
17 |
12744 |
616.1 |
-7.1 |
0.292 |
4 |
3 |
0 |
0.182 |
40 |
|
M |
59 |
15 |
11489 |
◊ |
V |
x,y,z |
1_555 |
73 |
17 |
12724 |
614.5 |
-7.1 |
0.292 |
3 |
3 |
0 |
0.182 |
| Average: |
615.3 |
-7.1 |
0.292 |
4 |
3 |
0 |
0.182 |
| 22 |
41 |
|
M |
65 |
19 |
11489 |
◊ |
E |
x,y,z |
1_555 |
57 |
13 |
11707 |
580.8 |
-2.4 |
0.448 |
7 |
3 |
0 |
0.027 |
42 |
|
a |
64 |
18 |
11480 |
◊ |
S |
x,y,z |
1_555 |
55 |
13 |
11706 |
578.0 |
-2.3 |
0.449 |
7 |
3 |
0 |
0.027 |
| Average: |
579.4 |
-2.4 |
0.449 |
7 |
3 |
0 |
0.027 |
| 23 |
43 |
|
J |
59 |
21 |
10065 |
◊ |
I |
x,y,z |
1_555 |
60 |
23 |
9882 |
572.4 |
-3.9 |
0.323 |
10 |
5 |
0 |
0.162 |
44 |
|
X |
61 |
21 |
10064 |
◊ |
W |
x,y,z |
1_555 |
62 |
23 |
9875 |
569.2 |
-3.9 |
0.332 |
11 |
5 |
0 |
0.162 |
| Average: |
570.8 |
-3.9 |
0.327 |
11 |
5 |
0 |
0.162 |
| 24 |
45 |
|
X |
58 |
16 |
10064 |
◊ |
P |
x,y,z |
1_555 |
53 |
12 |
12775 |
542.5 |
-0.3 |
0.607 |
11 |
4 |
0 |
0.017 |
46 |
|
J |
57 |
15 |
10065 |
◊ |
B |
x,y,z |
1_555 |
53 |
12 |
12780 |
538.6 |
-0.2 |
0.605 |
11 |
4 |
0 |
0.017 |
| Average: |
540.6 |
-0.3 |
0.606 |
11 |
4 |
0 |
0.017 |
| 25 |
47 |
|
b |
56 |
18 |
9505 |
◊ |
V |
x,y,z |
1_555 |
58 |
20 |
12724 |
538.4 |
-2.8 |
0.570 |
6 |
6 |
0 |
0.129 |
48 |
|
N |
56 |
18 |
9516 |
◊ |
H |
x,y,z |
1_555 |
58 |
20 |
12744 |
535.0 |
-2.7 |
0.577 |
6 |
7 |
0 |
0.129 |
| Average: |
536.7 |
-2.8 |
0.573 |
6 |
7 |
0 |
0.129 |
| 26 |
49 |
|
W |
58 |
16 |
9875 |
◊ |
O |
x,y,z |
1_555 |
45 |
13 |
12625 |
533.1 |
-3.0 |
0.462 |
7 |
3 |
0 |
0.030 |
50 |
|
I |
59 |
16 |
9882 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
12650 |
532.5 |
-3.0 |
0.470 |
6 |
2 |
0 |
0.030 |
| Average: |
532.8 |
-3.0 |
0.466 |
7 |
3 |
0 |
0.030 |
| 27 |
51 |
|
Z |
55 |
16 |
11823 |
◊ |
R |
x,y,z |
1_555 |
55 |
13 |
12122 |
525.6 |
1.7 |
0.755 |
8 |
4 |
0 |
0.011 |
52 |
|
L |
56 |
15 |
11838 |
◊ |
D |
x,y,z |
1_555 |
56 |
13 |
12137 |
521.0 |
1.6 |
0.753 |
9 |
4 |
0 |
0.011 |
| Average: |
523.3 |
1.7 |
0.754 |
9 |
4 |
0 |
0.011 |
| 28 |
53 |
|
I |
47 |
11 |
9882 |
◊ |
B |
x,y,z |
1_555 |
59 |
13 |
12780 |
484.6 |
-1.6 |
0.458 |
5 |
1 |
0 |
0.012 |
54 |
|
W |
48 |
11 |
9875 |
◊ |
P |
x,y,z |
1_555 |
58 |
13 |
12775 |
483.1 |
-1.6 |
0.475 |
6 |
1 |
0 |
0.012 |
| Average: |
483.8 |
-1.6 |
0.466 |
6 |
1 |
0 |
0.012 |
| 29 |
55 |
|
N |
59 |
16 |
9516 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
12322 |
484.1 |
-2.0 |
0.483 |
6 |
1 |
0 |
0.021 |
56 |
|
b |
57 |
16 |
9505 |
◊ |
T |
x,y,z |
1_555 |
45 |
12 |
12313 |
478.5 |
-2.0 |
0.478 |
7 |
2 |
0 |
0.021 |
| Average: |
481.3 |
-2.0 |
0.481 |
7 |
2 |
0 |
0.021 |
| 30 |
57 |
|
a |
51 |
13 |
11480 |
◊ |
T |
x,y,z |
1_555 |
59 |
17 |
12313 |
473.1 |
0.3 |
0.687 |
8 |
6 |
0 |
0.018 |
58 |
|
M |
50 |
13 |
11489 |
◊ |
F |
x,y,z |
1_555 |
59 |
16 |
12322 |
464.9 |
0.3 |
0.685 |
8 |
7 |
0 |
0.018 |
| Average: |
469.0 |
0.3 |
0.686 |
8 |
7 |
0 |
0.018 |
| 31 |
59 |
|
[GT8]H:301 |
34 |
1 |
861 |
cf |
H |
x,y,z |
1_555 |
57 |
22 |
12744 |
442.5 |
1.9 |
0.726 |
5 |
0 |
0 |
0.014 |
60 |
|
[GT8]V:301 |
35 |
1 |
861 |
cf |
V |
x,y,z |
1_555 |
58 |
22 |
12724 |
440.9 |
1.8 |
0.727 |
5 |
0 |
0 |
0.014 |
| Average: |
441.7 |
1.8 |
0.727 |
5 |
0 |
0 |
0.014 |
| 32 |
61 |
|
b |
52 |
13 |
9505 |
◊ |
U |
x,y,z |
1_555 |
49 |
13 |
12697 |
440.0 |
-0.9 |
0.573 |
3 |
3 |
0 |
0.008 |
62 |
|
N |
50 |
13 |
9516 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
12677 |
436.9 |
-0.8 |
0.570 |
3 |
3 |
0 |
0.008 |
| Average: |
438.5 |
-0.9 |
0.571 |
3 |
3 |
0 |
0.008 |
| 33 |
63 |
|
[GT8]K:301 |
33 |
1 |
862 |
cf |
K |
x,y,z |
1_555 |
54 |
23 |
10256 |
436.2 |
0.4 |
0.573 |
7 |
0 |
0 |
0.090 |
64 |
|
[GT8]Y:301 |
32 |
1 |
855 |
cf |
Y |
x,y,z |
1_555 |
56 |
23 |
10276 |
436.0 |
0.4 |
0.579 |
7 |
0 |
0 |
0.090 |
| Average: |
436.1 |
0.4 |
0.576 |
7 |
0 |
0 |
0.090 |
| 34 |
65 |
|
Y |
34 |
9 |
10276 |
◊ |
R |
x,y,z |
1_555 |
45 |
13 |
12122 |
421.2 |
-2.6 |
0.407 |
3 |
7 |
0 |
0.022 |
66 |
|
K |
34 |
9 |
10256 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
12137 |
419.4 |
-2.7 |
0.399 |
4 |
7 |
0 |
0.022 |
| Average: |
420.3 |
-2.7 |
0.403 |
4 |
7 |
0 |
0.022 |
| 35 |
67 |
|
P |
39 |
14 |
12775 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
53 |
14 |
12137 |
404.3 |
-2.2 |
0.425 |
3 |
0 |
0 |
0.000 |
| 36 |
68 |
|
J |
42 |
10 |
10065 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
12754 |
400.0 |
-2.9 |
0.283 |
5 |
4 |
0 |
0.017 |
69 |
|
X |
42 |
11 |
10064 |
◊ |
Q |
x,y,z |
1_555 |
44 |
11 |
12779 |
395.9 |
-3.0 |
0.277 |
5 |
4 |
0 |
0.017 |
| Average: |
397.9 |
-2.9 |
0.280 |
5 |
4 |
0 |
0.017 |
| 37 |
70 |
|
Z |
34 |
9 |
11823 |
◊ |
S |
x,y,z |
1_555 |
50 |
15 |
11706 |
378.0 |
0.2 |
0.568 |
1 |
2 |
0 |
0.003 |
71 |
|
L |
34 |
9 |
11838 |
◊ |
E |
x,y,z |
1_555 |
46 |
13 |
11707 |
368.4 |
0.3 |
0.584 |
2 |
2 |
0 |
0.003 |
| Average: |
373.2 |
0.3 |
0.576 |
2 |
2 |
0 |
0.003 |
| 38 |
72 |
|
H |
25 |
9 |
12744 |
◊ |
A |
x,y,z |
1_555 |
39 |
10 |
12650 |
318.1 |
-1.8 |
0.444 |
5 |
2 |
0 |
0.020 |
73 |
|
V |
24 |
8 |
12724 |
◊ |
O |
x,y,z |
1_555 |
38 |
10 |
12625 |
313.5 |
-1.8 |
0.437 |
5 |
1 |
0 |
0.020 |
| Average: |
315.8 |
-1.8 |
0.440 |
5 |
2 |
0 |
0.020 |
| 39 |
74 |
|
K |
37 |
13 |
10256 |
◊ |
C |
x,y,z |
1_555 |
37 |
11 |
12754 |
317.3 |
2.5 |
0.818 |
7 |
8 |
0 |
0.006 |
75 |
|
Y |
37 |
13 |
10276 |
◊ |
Q |
x,y,z |
1_555 |
36 |
11 |
12779 |
311.1 |
2.3 |
0.808 |
8 |
9 |
0 |
0.006 |
| Average: |
314.2 |
2.4 |
0.813 |
8 |
9 |
0 |
0.006 |
| 40 |
76 |
|
U |
35 |
11 |
12697 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
15 |
12677 |
279.6 |
1.4 |
0.731 |
2 |
0 |
0 |
0.000 |
| 41 |
77 |
|
U |
37 |
11 |
12697 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
13 |
12650 |
267.2 |
1.8 |
0.788 |
2 |
1 |
0 |
0.000 |
| 42 |
78 |
|
T |
31 |
11 |
12313 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
13 |
12322 |
231.1 |
1.3 |
0.770 |
1 |
2 |
0 |
0.000 |
| 43 |
79 |
|
R |
32 |
9 |
12122 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
19 |
7 |
12780 |
225.9 |
-2.4 |
0.164 |
1 |
0 |
0 |
0.000 |
| 44 |
80 |
|
[MES]Y:302 |
12 |
1 |
337 |
f |
Y |
x,y,z |
1_555 |
33 |
14 |
10276 |
181.5 |
4.8 |
0.230 |
0 |
0 |
0 |
0.000 |
| 45 |
81 |
|
[GT8]K:301 |
14 |
1 |
862 |
◊ |
L |
x,y,z |
1_555 |
17 |
8 |
11838 |
165.5 |
-1.0 |
0.524 |
1 |
0 |
0 |
0.017 |
82 |
|
[GT8]Y:301 |
14 |
1 |
855 |
◊ |
Z |
x,y,z |
1_555 |
17 |
8 |
11823 |
162.5 |
-0.9 |
0.529 |
1 |
0 |
0 |
0.017 |
| Average: |
164.0 |
-1.0 |
0.527 |
1 |
0 |
0 |
0.017 |
| 46 |
83 |
|
[MES]K:303 |
11 |
1 |
341 |
◊ |
K |
x,y,z |
1_555 |
28 |
10 |
10256 |
155.4 |
2.9 |
0.116 |
0 |
0 |
0 |
0.000 |
| 47 |
84 |
|
F |
15 |
4 |
12322 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
12650 |
148.6 |
-1.3 |
0.461 |
3 |
0 |
0 |
0.025 |
85 |
|
T |
15 |
4 |
12313 |
◊ |
O |
x,y,z |
1_555 |
14 |
4 |
12625 |
144.2 |
-1.2 |
0.463 |
2 |
0 |
0 |
0.025 |
| Average: |
146.4 |
-1.3 |
0.462 |
3 |
0 |
0 |
0.025 |
| 48 |
86 |
|
[MES]b:202 |
12 |
1 |
337 |
f |
b |
x,y,z |
1_555 |
20 |
9 |
9505 |
144.2 |
2.2 |
0.030 |
0 |
0 |
0 |
0.000 |
| 49 |
87 |
|
U |
15 |
3 |
12697 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12775 |
130.7 |
-2.7 |
0.151 |
1 |
0 |
0 |
0.033 |
88 |
|
G |
15 |
3 |
12677 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
12780 |
126.3 |
-2.7 |
0.138 |
0 |
0 |
0 |
0.033 |
| Average: |
128.5 |
-2.7 |
0.145 |
1 |
0 |
0 |
0.033 |
| 50 |
89 |
|
F |
15 |
5 |
12322 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12780 |
128.3 |
-0.1 |
0.617 |
1 |
0 |
0 |
0.007 |
90 |
|
T |
15 |
5 |
12313 |
◊ |
P |
x,y,z |
1_555 |
14 |
4 |
12775 |
127.8 |
-0.1 |
0.616 |
1 |
0 |
0 |
0.007 |
| Average: |
128.0 |
-0.1 |
0.616 |
1 |
0 |
0 |
0.007 |
| 51 |
91 |
|
[GT8]H:301 |
13 |
1 |
861 |
◊ |
I |
x,y,z |
1_555 |
11 |
5 |
9882 |
127.1 |
-2.6 |
0.142 |
1 |
0 |
0 |
0.041 |
92 |
|
[GT8]V:301 |
12 |
1 |
861 |
◊ |
W |
x,y,z |
1_555 |
12 |
5 |
9875 |
127.0 |
-2.7 |
0.154 |
1 |
0 |
0 |
0.041 |
| Average: |
127.0 |
-2.7 |
0.148 |
1 |
0 |
0 |
0.041 |
| 52 |
93 |
|
R |
15 |
4 |
12122 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
12775 |
126.2 |
0.8 |
0.722 |
1 |
2 |
0 |
0.000 |
94 |
|
D |
15 |
4 |
12137 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12780 |
119.8 |
0.7 |
0.715 |
1 |
2 |
0 |
0.000 |
| Average: |
123.0 |
0.8 |
0.718 |
1 |
2 |
0 |
0.000 |
| 53 |
95 |
|
E |
16 |
6 |
11707 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12780 |
126.0 |
0.8 |
0.663 |
2 |
1 |
0 |
0.006 |
96 |
|
S |
14 |
6 |
11706 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
12775 |
122.0 |
0.7 |
0.664 |
2 |
1 |
0 |
0.006 |
| Average: |
124.0 |
0.8 |
0.664 |
2 |
1 |
0 |
0.006 |
| 54 |
97 |
|
[MES]V:302 |
9 |
1 |
337 |
f |
[GT8]V:301 |
x,y,z |
1_555 |
13 |
1 |
861 |
106.6 |
-0.4 |
0.042 |
0 |
0 |
0 |
0.013 |
| 55 |
98 |
|
T |
15 |
5 |
12313 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
12677 |
104.5 |
-0.2 |
0.509 |
2 |
0 |
0 |
0.000 |
| 56 |
99 |
|
Q |
15 |
4 |
12779 |
◊ |
O |
x,y,z |
1_555 |
10 |
3 |
12625 |
102.4 |
-0.8 |
0.421 |
1 |
0 |
0 |
0.013 |
100 |
|
C |
15 |
4 |
12754 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
12650 |
92.8 |
-0.9 |
0.426 |
1 |
0 |
0 |
0.013 |
| Average: |
97.6 |
-0.9 |
0.424 |
1 |
0 |
0 |
0.013 |
| 57 |
101 |
|
[MES]V:302 |
8 |
1 |
337 |
f |
V |
x,y,z |
1_555 |
18 |
8 |
12724 |
100.2 |
1.4 |
0.066 |
0 |
0 |
0 |
0.000 |
| 58 |
102 |
|
[MES]N:203 |
9 |
1 |
337 |
f |
N |
x,y,z |
1_555 |
12 |
7 |
9516 |
96.3 |
1.0 |
0.025 |
0 |
0 |
0 |
0.000 |
| 59 |
103 |
|
[MES]H:302 |
9 |
1 |
336 |
f |
[GT8]H:301 |
x,y,z |
1_555 |
11 |
1 |
861 |
95.1 |
-0.3 |
0.040 |
0 |
0 |
0 |
0.011 |
| 60 |
104 |
|
[SO4]N:202 |
5 |
1 |
185 |
f |
N |
x,y,z |
1_555 |
16 |
7 |
9516 |
92.0 |
-14.0 |
0.696 |
2 |
0 |
0 |
0.397 |
| 61 |
105 |
|
[MES]H:302 |
8 |
1 |
336 |
f |
H |
x,y,z |
1_555 |
18 |
8 |
12744 |
91.6 |
1.1 |
0.048 |
0 |
0 |
0 |
0.000 |
| 62 |
106 |
|
[SO4]b:201 |
5 |
1 |
185 |
f |
b |
x,y,z |
1_555 |
16 |
6 |
9505 |
90.6 |
-14.0 |
0.700 |
4 |
0 |
0 |
0.544 |
| 63 |
107 |
|
[MES]K:303 |
9 |
1 |
341 |
◊ |
[GT8]K:301 |
x,y,z |
1_555 |
8 |
1 |
862 |
85.1 |
0.2 |
0.031 |
0 |
0 |
0 |
0.000 |
| 64 |
108 |
|
[MES]N:203 |
10 |
1 |
337 |
◊ |
H |
x,y,z |
1_555 |
15 |
3 |
12744 |
81.2 |
1.5 |
0.034 |
0 |
0 |
0 |
0.000 |
| 65 |
109 |
|
T |
8 |
3 |
12313 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
11707 |
76.4 |
-0.2 |
0.526 |
2 |
0 |
0 |
0.000 |
| 66 |
110 |
|
K |
8 |
3 |
10256 |
◊ |
V |
x,y,z |
1_555 |
5 |
2 |
12724 |
62.9 |
-1.7 |
0.201 |
0 |
0 |
0 |
0.015 |
111 |
|
Y |
9 |
3 |
10276 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
12744 |
62.5 |
-1.6 |
0.212 |
0 |
0 |
0 |
0.015 |
| Average: |
62.7 |
-1.6 |
0.206 |
0 |
0 |
0 |
0.015 |
| 67 |
112 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
11 |
3 |
12697 |
60.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.100 |
113 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
12677 |
59.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
59.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| 68 |
114 |
|
[MES]Y:302 |
4 |
1 |
337 |
f |
[GT8]Y:301 |
x,y,z |
1_555 |
6 |
1 |
855 |
57.0 |
-1.6 |
0.059 |
0 |
0 |
0 |
0.052 |
| 69 |
115 |
|
U |
5 |
2 |
12697 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12322 |
56.3 |
0.7 |
0.765 |
0 |
0 |
0 |
0.000 |
| 70 |
116 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
17 |
9 |
9882 |
54.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.251 |
117 |
|
[MG]W:301 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
15 |
9 |
9875 |
54.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.251 |
| Average: |
54.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.251 |
| 71 |
118 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
8 |
6 |
12677 |
51.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.090 |
| 72 |
119 |
|
E |
5 |
2 |
11707 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12650 |
50.2 |
-0.5 |
0.324 |
0 |
0 |
0 |
0.007 |
120 |
|
S |
5 |
2 |
11706 |
◊ |
O |
x,y,z |
1_555 |
6 |
2 |
12625 |
46.3 |
-0.7 |
0.317 |
0 |
0 |
0 |
0.007 |
| Average: |
48.3 |
-0.6 |
0.321 |
0 |
0 |
0 |
0.007 |
| 73 |
121 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
13 |
7 |
11823 |
50.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.267 |
| 74 |
122 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
11 |
7 |
9516 |
48.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.188 |
| 75 |
123 |
|
[MES]H:302 |
7 |
1 |
336 |
◊ |
Z |
x,y,z |
1_555 |
3 |
1 |
11823 |
44.4 |
1.0 |
0.042 |
0 |
0 |
0 |
0.000 |
| 76 |
124 |
|
[MG]I:302 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
14 |
6 |
9882 |
43.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.125 |
125 |
|
[MG]K:302 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
10 |
4 |
9875 |
36.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.125 |
| Average: |
39.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.125 |
| 77 |
126 |
|
[MES]V:302 |
6 |
1 |
337 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
11838 |
41.1 |
1.2 |
0.080 |
0 |
0 |
0 |
0.000 |
| 78 |
127 |
|
[MG]K:302 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
6 |
6 |
10256 |
39.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.187 |
128 |
|
[MG]I:302 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
7 |
6 |
10276 |
37.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.187 |
| Average: |
38.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.187 |
| 79 |
129 |
|
[MG]L:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
7 |
5 |
12724 |
39.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.210 |
| 80 |
130 |
|
[MG]L:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
7 |
4 |
11838 |
32.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.125 |
| 81 |
131 |
|
R |
4 |
1 |
12122 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
12625 |
32.5 |
0.9 |
0.627 |
0 |
0 |
0 |
0.000 |
132 |
|
D |
4 |
1 |
12137 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12650 |
27.6 |
0.7 |
0.641 |
0 |
0 |
0 |
0.000 |
| Average: |
30.1 |
0.8 |
0.634 |
0 |
0 |
0 |
0.000 |
| 82 |
133 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
11480 |
24.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.078 |
| 83 |
134 |
|
[SO4]b:201 |
4 |
1 |
185 |
f |
[MES]b:202 |
x,y,z |
1_555 |
2 |
1 |
337 |
22.8 |
-1.7 |
0.540 |
0 |
0 |
0 |
0.060 |
| 84 |
135 |
|
[MG]W:301 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
10256 |
18.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.063 |
136 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
3 |
2 |
10276 |
18.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
18.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.063 |
| 85 |
137 |
|
[MES]b:202 |
3 |
1 |
337 |
◊ |
V |
x,y,z |
1_555 |
3 |
2 |
12724 |
17.6 |
0.1 |
0.091 |
0 |
0 |
0 |
0.000 |
| 86 |
138 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
12744 |
17.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.051 |
| 87 |
139 |
|
S |
2 |
1 |
11706 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12754 |
11.3 |
0.2 |
0.743 |
0 |
0 |
0 |
0.000 |
| 88 |
140 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
12625 |
5.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
141 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12650 |
4.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
5.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 89 |
142 |
|
[MES]K:303 |
1 |
1 |
341 |
f |
W |
x,y,z |
1_555 |
1 |
1 |
9875 |
3.0 |
0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
| 90 |
143 |
|
[GT8]H:301 |
3 |
1 |
861 |
◊ |
Z |
x,y,z |
1_555 |
3 |
1 |
11823 |
2.5 |
-0.1 |
0.564 |
0 |
0 |
0 |
0.002 |
144 |
|
[GT8]V:301 |
2 |
1 |
861 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
11838 |
1.6 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.002 |
| Average: |
2.0 |
-0.1 |
0.567 |
0 |
0 |
0 |
0.002 |
| 91 |
145 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
1 |
1 |
12724 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|