| ## |
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 |
174 |
47 |
9948 |
◊ |
H |
x,y,z |
1_555 |
163 |
43 |
13184 |
1614.6 |
-14.1 |
0.275 |
28 |
16 |
0 |
1.000 |
2 |
|
W |
177 |
46 |
9934 |
◊ |
V |
x,y,z |
1_555 |
159 |
42 |
13167 |
1613.0 |
-14.1 |
0.262 |
28 |
15 |
0 |
1.000 |
| Average: |
1613.8 |
-14.1 |
0.269 |
28 |
16 |
0 |
1.000 |
| 2 |
3 |
|
C |
155 |
35 |
13038 |
◊ |
B |
x,y,z |
1_555 |
180 |
44 |
13102 |
1585.1 |
-9.7 |
0.251 |
17 |
3 |
0 |
1.000 |
4 |
|
Q |
152 |
34 |
13040 |
◊ |
P |
x,y,z |
1_555 |
184 |
43 |
13091 |
1550.1 |
-11.0 |
0.211 |
17 |
3 |
0 |
1.000 |
| Average: |
1567.6 |
-10.3 |
0.231 |
17 |
3 |
0 |
1.000 |
| 3 |
5 |
|
U |
156 |
42 |
12837 |
◊ |
O |
x,y,z |
1_555 |
141 |
38 |
13313 |
1452.3 |
-16.3 |
0.134 |
14 |
3 |
0 |
0.333 |
6 |
|
G |
157 |
41 |
12831 |
◊ |
A |
x,y,z |
1_555 |
140 |
38 |
13300 |
1434.0 |
-16.2 |
0.132 |
13 |
3 |
0 |
0.333 |
| Average: |
1443.1 |
-16.3 |
0.133 |
14 |
3 |
0 |
0.333 |
| 4 |
7 |
|
Z |
157 |
39 |
11874 |
◊ |
H |
x,y,z |
1_555 |
137 |
35 |
13184 |
1419.3 |
-5.9 |
0.505 |
20 |
4 |
0 |
1.000 |
8 |
|
L |
160 |
39 |
11876 |
◊ |
V |
x,y,z |
1_555 |
139 |
35 |
13167 |
1415.1 |
-5.7 |
0.513 |
20 |
4 |
0 |
1.000 |
| Average: |
1417.2 |
-5.8 |
0.509 |
20 |
4 |
0 |
1.000 |
| 5 |
9 |
|
P |
150 |
38 |
13091 |
◊ |
O |
x,y,z |
1_555 |
161 |
43 |
13313 |
1406.1 |
-16.6 |
0.113 |
16 |
1 |
0 |
0.313 |
10 |
|
B |
148 |
39 |
13102 |
◊ |
A |
x,y,z |
1_555 |
156 |
43 |
13300 |
1405.8 |
-16.7 |
0.110 |
14 |
1 |
0 |
0.313 |
| Average: |
1405.9 |
-16.6 |
0.111 |
15 |
1 |
0 |
0.313 |
| 6 |
11 |
|
U |
140 |
33 |
12837 |
◊ |
T |
x,y,z |
1_555 |
161 |
42 |
12409 |
1397.1 |
-13.8 |
0.152 |
19 |
4 |
0 |
0.549 |
12 |
|
G |
140 |
33 |
12831 |
◊ |
F |
x,y,z |
1_555 |
159 |
42 |
12391 |
1393.7 |
-13.9 |
0.148 |
19 |
3 |
0 |
0.549 |
| Average: |
1395.4 |
-13.9 |
0.150 |
19 |
4 |
0 |
0.549 |
| 7 |
13 |
|
T |
147 |
34 |
12409 |
◊ |
S |
x,y,z |
1_555 |
145 |
38 |
11932 |
1328.1 |
-12.4 |
0.153 |
14 |
4 |
0 |
1.000 |
14 |
|
F |
144 |
34 |
12391 |
◊ |
E |
x,y,z |
1_555 |
143 |
38 |
11936 |
1302.5 |
-11.9 |
0.160 |
14 |
4 |
0 |
1.000 |
| Average: |
1315.3 |
-12.2 |
0.157 |
14 |
4 |
0 |
1.000 |
| 8 |
15 |
|
D |
141 |
37 |
12828 |
◊ |
C |
x,y,z |
1_555 |
141 |
36 |
13038 |
1309.6 |
-10.9 |
0.156 |
15 |
1 |
0 |
0.539 |
16 |
|
R |
137 |
37 |
12835 |
◊ |
Q |
x,y,z |
1_555 |
139 |
37 |
13040 |
1293.3 |
-10.7 |
0.151 |
15 |
1 |
0 |
0.539 |
| Average: |
1301.4 |
-10.8 |
0.154 |
15 |
1 |
0 |
0.539 |
| 9 |
17 |
|
N |
143 |
40 |
9646 |
◊ |
a |
x,y,z |
1_555 |
136 |
30 |
12453 |
1306.4 |
-6.8 |
0.446 |
22 |
3 |
0 |
1.000 |
18 |
|
b |
142 |
40 |
9632 |
◊ |
M |
x,y,z |
1_555 |
136 |
30 |
12478 |
1304.6 |
-6.9 |
0.436 |
22 |
3 |
0 |
1.000 |
| Average: |
1305.5 |
-6.9 |
0.441 |
22 |
3 |
0 |
1.000 |
| 10 |
19 |
|
S |
133 |
37 |
11932 |
◊ |
R |
x,y,z |
1_555 |
136 |
40 |
12835 |
1276.1 |
-8.1 |
0.250 |
15 |
4 |
0 |
1.000 |
20 |
|
E |
125 |
37 |
11936 |
◊ |
D |
x,y,z |
1_555 |
133 |
39 |
12828 |
1259.1 |
-7.8 |
0.256 |
15 |
4 |
0 |
1.000 |
| Average: |
1267.6 |
-8.0 |
0.253 |
15 |
4 |
0 |
1.000 |
| 11 |
21 |
|
K |
106 |
28 |
10339 |
◊ |
W |
x,y,z |
1_555 |
103 |
24 |
9934 |
993.1 |
-2.8 |
0.584 |
21 |
5 |
0 |
0.334 |
22 |
|
Y |
106 |
28 |
10356 |
◊ |
I |
x,y,z |
1_555 |
102 |
24 |
9948 |
991.0 |
-2.7 |
0.592 |
21 |
5 |
0 |
0.334 |
| Average: |
992.1 |
-2.8 |
0.588 |
21 |
5 |
0 |
0.334 |
| 12 |
23 |
|
a |
96 |
29 |
12453 |
◊ |
Z |
x,y,z |
1_555 |
101 |
29 |
11874 |
945.4 |
-0.3 |
0.671 |
14 |
9 |
0 |
0.096 |
24 |
|
M |
95 |
28 |
12478 |
◊ |
L |
x,y,z |
1_555 |
98 |
29 |
11876 |
930.1 |
-0.4 |
0.666 |
14 |
9 |
0 |
0.096 |
| Average: |
937.8 |
-0.3 |
0.668 |
14 |
9 |
0 |
0.096 |
| 13 |
25 |
|
a |
90 |
23 |
12453 |
◊ |
H |
x,y,z |
1_555 |
94 |
26 |
13184 |
899.8 |
-10.9 |
0.167 |
3 |
2 |
0 |
0.152 |
26 |
|
M |
89 |
23 |
12478 |
◊ |
V |
x,y,z |
1_555 |
97 |
26 |
13167 |
893.9 |
-10.8 |
0.176 |
3 |
2 |
0 |
0.152 |
| Average: |
896.9 |
-10.8 |
0.171 |
3 |
2 |
0 |
0.152 |
| 14 |
27 |
|
K |
89 |
22 |
10339 |
◊ |
X |
x,y,z |
1_555 |
87 |
19 |
10342 |
797.5 |
-2.3 |
0.499 |
9 |
10 |
0 |
0.212 |
28 |
|
Y |
88 |
22 |
10356 |
◊ |
J |
x,y,z |
1_555 |
87 |
19 |
10337 |
792.4 |
-3.1 |
0.451 |
9 |
9 |
0 |
0.212 |
| Average: |
794.9 |
-2.7 |
0.475 |
9 |
10 |
0 |
0.212 |
| 15 |
29 |
|
L |
87 |
21 |
11876 |
◊ |
W |
x,y,z |
1_555 |
88 |
21 |
9934 |
704.7 |
-2.8 |
0.470 |
7 |
6 |
0 |
0.134 |
30 |
|
Z |
85 |
21 |
11874 |
◊ |
I |
x,y,z |
1_555 |
90 |
21 |
9948 |
703.9 |
-2.7 |
0.484 |
7 |
6 |
0 |
0.134 |
| Average: |
704.3 |
-2.7 |
0.477 |
7 |
6 |
0 |
0.134 |
| 16 |
31 |
|
X |
76 |
18 |
10342 |
◊ |
J |
x,y,z |
1_555 |
77 |
18 |
10337 |
699.4 |
-1.9 |
0.475 |
14 |
2 |
0 |
0.110 |
| 17 |
32 |
|
L |
74 |
22 |
11876 |
◊ |
K |
x,y,z |
1_555 |
72 |
20 |
10339 |
699.0 |
-3.3 |
0.296 |
14 |
5 |
0 |
0.184 |
33 |
|
Z |
77 |
22 |
11874 |
◊ |
Y |
x,y,z |
1_555 |
73 |
20 |
10356 |
697.7 |
-3.2 |
0.310 |
14 |
5 |
0 |
0.184 |
| Average: |
698.4 |
-3.2 |
0.303 |
14 |
5 |
0 |
0.184 |
| 18 |
34 |
|
V |
62 |
18 |
13167 |
◊ |
O |
x,y,z |
1_555 |
74 |
20 |
13313 |
662.6 |
-4.7 |
0.476 |
12 |
4 |
0 |
0.116 |
35 |
|
H |
63 |
18 |
13184 |
◊ |
A |
x,y,z |
1_555 |
74 |
21 |
13300 |
657.5 |
-4.8 |
0.482 |
12 |
4 |
0 |
0.116 |
| Average: |
660.0 |
-4.8 |
0.479 |
12 |
4 |
0 |
0.116 |
| 19 |
36 |
|
H |
61 |
15 |
13184 |
◊ |
G |
x,y,z |
1_555 |
72 |
17 |
12831 |
653.9 |
-0.4 |
0.655 |
10 |
14 |
0 |
0.089 |
37 |
|
V |
63 |
15 |
13167 |
◊ |
U |
x,y,z |
1_555 |
70 |
17 |
12837 |
644.6 |
-0.5 |
0.653 |
11 |
15 |
0 |
0.089 |
| Average: |
649.2 |
-0.4 |
0.654 |
11 |
15 |
0 |
0.089 |
| 20 |
38 |
|
N |
70 |
16 |
9646 |
◊ |
b |
x,y,z |
1_555 |
69 |
16 |
9632 |
636.2 |
-4.0 |
0.366 |
12 |
4 |
0 |
0.060 |
| 21 |
39 |
|
Y |
76 |
23 |
10356 |
◊ |
X |
x,y,z |
1_555 |
60 |
18 |
10342 |
634.2 |
-1.7 |
0.538 |
7 |
3 |
0 |
0.138 |
40 |
|
K |
75 |
23 |
10339 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
10337 |
632.6 |
-1.8 |
0.534 |
7 |
3 |
0 |
0.138 |
| Average: |
633.4 |
-1.7 |
0.536 |
7 |
3 |
0 |
0.138 |
| 22 |
41 |
|
N |
63 |
20 |
9646 |
◊ |
M |
x,y,z |
1_555 |
69 |
20 |
12478 |
609.7 |
-2.1 |
0.528 |
10 |
3 |
0 |
0.084 |
42 |
|
b |
63 |
21 |
9632 |
◊ |
a |
x,y,z |
1_555 |
69 |
20 |
12453 |
607.3 |
-2.1 |
0.524 |
10 |
2 |
0 |
0.084 |
| Average: |
608.5 |
-2.1 |
0.526 |
10 |
3 |
0 |
0.084 |
| 23 |
43 |
|
a |
67 |
19 |
12453 |
◊ |
S |
x,y,z |
1_555 |
55 |
14 |
11932 |
604.6 |
-2.1 |
0.484 |
8 |
3 |
0 |
0.027 |
44 |
|
M |
68 |
19 |
12478 |
◊ |
E |
x,y,z |
1_555 |
55 |
14 |
11936 |
603.2 |
-2.2 |
0.483 |
8 |
3 |
0 |
0.027 |
| Average: |
603.9 |
-2.2 |
0.483 |
8 |
3 |
0 |
0.027 |
| 24 |
45 |
|
J |
63 |
22 |
10337 |
◊ |
I |
x,y,z |
1_555 |
67 |
25 |
9948 |
599.1 |
-4.4 |
0.301 |
10 |
3 |
0 |
0.249 |
46 |
|
X |
63 |
22 |
10342 |
◊ |
W |
x,y,z |
1_555 |
71 |
25 |
9934 |
598.9 |
-4.4 |
0.303 |
11 |
4 |
0 |
0.249 |
| Average: |
599.0 |
-4.4 |
0.302 |
11 |
4 |
0 |
0.249 |
| 25 |
47 |
|
J |
60 |
17 |
10337 |
◊ |
B |
x,y,z |
1_555 |
51 |
12 |
13102 |
549.9 |
0.6 |
0.548 |
13 |
2 |
0 |
0.000 |
48 |
|
X |
61 |
17 |
10342 |
◊ |
P |
x,y,z |
1_555 |
50 |
12 |
13091 |
549.8 |
0.7 |
0.557 |
13 |
2 |
0 |
0.000 |
| Average: |
549.8 |
0.6 |
0.552 |
13 |
2 |
0 |
0.000 |
| 26 |
49 |
|
Z |
56 |
14 |
11874 |
◊ |
R |
x,y,z |
1_555 |
58 |
15 |
12835 |
526.2 |
1.7 |
0.740 |
9 |
4 |
0 |
0.012 |
50 |
|
L |
55 |
14 |
11876 |
◊ |
D |
x,y,z |
1_555 |
56 |
14 |
12828 |
522.6 |
1.7 |
0.741 |
9 |
4 |
0 |
0.012 |
| Average: |
524.4 |
1.7 |
0.741 |
9 |
4 |
0 |
0.012 |
| 27 |
51 |
|
I |
58 |
15 |
9948 |
◊ |
A |
x,y,z |
1_555 |
44 |
12 |
13300 |
521.4 |
-3.6 |
0.447 |
5 |
2 |
0 |
0.056 |
52 |
|
W |
59 |
15 |
9934 |
◊ |
O |
x,y,z |
1_555 |
44 |
12 |
13313 |
516.5 |
-3.7 |
0.437 |
5 |
2 |
0 |
0.056 |
| Average: |
518.9 |
-3.6 |
0.442 |
5 |
2 |
0 |
0.056 |
| 28 |
53 |
|
N |
52 |
18 |
9646 |
◊ |
H |
x,y,z |
1_555 |
56 |
20 |
13184 |
497.0 |
-1.8 |
0.601 |
10 |
5 |
0 |
0.085 |
54 |
|
b |
52 |
18 |
9632 |
◊ |
V |
x,y,z |
1_555 |
57 |
20 |
13167 |
491.4 |
-1.8 |
0.597 |
10 |
5 |
0 |
0.085 |
| Average: |
494.2 |
-1.8 |
0.599 |
10 |
5 |
0 |
0.085 |
| 29 |
55 |
|
W |
44 |
11 |
9934 |
◊ |
P |
x,y,z |
1_555 |
58 |
14 |
13091 |
478.3 |
-2.3 |
0.414 |
6 |
0 |
0 |
0.000 |
56 |
|
I |
42 |
10 |
9948 |
◊ |
B |
x,y,z |
1_555 |
56 |
13 |
13102 |
474.7 |
-2.5 |
0.391 |
7 |
0 |
0 |
0.000 |
| Average: |
476.5 |
-2.4 |
0.403 |
7 |
0 |
0 |
0.000 |
| 30 |
57 |
|
P |
50 |
17 |
13091 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
52 |
15 |
12828 |
468.3 |
-0.6 |
0.551 |
4 |
1 |
0 |
0.000 |
| 31 |
58 |
|
N |
52 |
14 |
9646 |
◊ |
F |
x,y,z |
1_555 |
44 |
11 |
12391 |
446.6 |
-2.4 |
0.458 |
7 |
3 |
0 |
0.027 |
59 |
|
b |
51 |
13 |
9632 |
◊ |
T |
x,y,z |
1_555 |
44 |
11 |
12409 |
444.6 |
-2.3 |
0.460 |
6 |
3 |
0 |
0.027 |
| Average: |
445.6 |
-2.4 |
0.459 |
7 |
3 |
0 |
0.027 |
| 32 |
60 |
|
a |
47 |
12 |
12453 |
◊ |
T |
x,y,z |
1_555 |
60 |
17 |
12409 |
429.6 |
-0.6 |
0.661 |
6 |
7 |
0 |
0.019 |
61 |
|
M |
47 |
12 |
12478 |
◊ |
F |
x,y,z |
1_555 |
57 |
17 |
12391 |
419.9 |
-0.6 |
0.660 |
6 |
7 |
0 |
0.019 |
| Average: |
424.7 |
-0.6 |
0.661 |
6 |
7 |
0 |
0.019 |
| 33 |
62 |
|
N |
50 |
13 |
9646 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
12831 |
424.6 |
-2.3 |
0.440 |
3 |
2 |
0 |
0.049 |
63 |
|
b |
49 |
13 |
9632 |
◊ |
U |
x,y,z |
1_555 |
48 |
13 |
12837 |
414.3 |
-2.4 |
0.426 |
3 |
2 |
0 |
0.049 |
| Average: |
419.5 |
-2.4 |
0.433 |
3 |
2 |
0 |
0.049 |
| 34 |
64 |
|
K |
39 |
10 |
10339 |
◊ |
D |
x,y,z |
1_555 |
47 |
12 |
12828 |
411.4 |
-2.9 |
0.389 |
4 |
7 |
0 |
0.024 |
65 |
|
Y |
39 |
10 |
10356 |
◊ |
R |
x,y,z |
1_555 |
46 |
12 |
12835 |
410.4 |
-2.9 |
0.387 |
4 |
7 |
0 |
0.024 |
| Average: |
410.9 |
-2.9 |
0.388 |
4 |
7 |
0 |
0.024 |
| 35 |
66 |
|
J |
39 |
8 |
10337 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
13038 |
402.4 |
-2.2 |
0.305 |
5 |
4 |
0 |
0.000 |
67 |
|
X |
38 |
8 |
10342 |
◊ |
Q |
x,y,z |
1_555 |
46 |
12 |
13040 |
402.1 |
-2.2 |
0.296 |
5 |
4 |
0 |
0.000 |
| Average: |
402.3 |
-2.2 |
0.301 |
5 |
4 |
0 |
0.000 |
| 36 |
68 |
|
Z |
33 |
9 |
11874 |
◊ |
S |
x,y,z |
1_555 |
48 |
14 |
11932 |
368.8 |
0.5 |
0.589 |
5 |
2 |
0 |
0.009 |
69 |
|
L |
34 |
8 |
11876 |
◊ |
E |
x,y,z |
1_555 |
47 |
12 |
11936 |
362.4 |
0.4 |
0.581 |
5 |
2 |
0 |
0.009 |
| Average: |
365.6 |
0.4 |
0.585 |
5 |
2 |
0 |
0.009 |
| 37 |
70 |
|
U |
35 |
11 |
12837 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
13 |
13300 |
323.7 |
1.6 |
0.803 |
2 |
1 |
0 |
0.000 |
| 38 |
71 |
|
U |
40 |
13 |
12837 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
15 |
12831 |
296.7 |
-0.5 |
0.510 |
1 |
0 |
0 |
0.000 |
| 39 |
72 |
|
K |
30 |
13 |
10339 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
13038 |
296.1 |
1.8 |
0.779 |
6 |
8 |
0 |
0.000 |
73 |
|
Y |
29 |
13 |
10356 |
◊ |
Q |
x,y,z |
1_555 |
31 |
9 |
13040 |
287.5 |
1.8 |
0.785 |
6 |
8 |
0 |
0.000 |
| Average: |
291.8 |
1.8 |
0.782 |
6 |
8 |
0 |
0.000 |
| 40 |
74 |
|
T |
41 |
13 |
12409 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
14 |
12391 |
292.1 |
2.1 |
0.821 |
3 |
2 |
0 |
0.000 |
| 41 |
75 |
|
R |
37 |
13 |
12835 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
8 |
13102 |
243.2 |
-2.0 |
0.200 |
2 |
1 |
0 |
0.000 |
| 42 |
76 |
|
d |
21 |
3 |
757 |
◊ |
Z |
x,y,z |
1_555 |
31 |
10 |
11874 |
222.6 |
-3.8 |
0.520 |
1 |
0 |
0 |
0.000 |
77 |
|
c |
21 |
2 |
760 |
◊ |
L |
x,y,z |
1_555 |
31 |
11 |
11876 |
221.7 |
-3.8 |
0.532 |
1 |
0 |
0 |
0.000 |
| Average: |
222.1 |
-3.8 |
0.526 |
1 |
0 |
0 |
0.000 |
| 43 |
78 |
|
c |
19 |
3 |
760 |
◊ |
K |
x,y,z |
1_555 |
27 |
13 |
10339 |
208.3 |
-1.9 |
0.654 |
4 |
0 |
0 |
0.000 |
79 |
|
d |
19 |
3 |
757 |
◊ |
Y |
x,y,z |
1_555 |
27 |
14 |
10356 |
207.7 |
-1.9 |
0.651 |
4 |
0 |
0 |
0.000 |
| Average: |
208.0 |
-1.9 |
0.653 |
4 |
0 |
0 |
0.000 |
| 44 |
80 |
|
[MES]Y:301 |
11 |
1 |
343 |
◊ |
Y |
x,y,z |
1_555 |
27 |
8 |
10356 |
161.3 |
3.1 |
0.142 |
0 |
0 |
0 |
0.000 |
| 45 |
81 |
|
[ABN]c:8 |
8 |
1 |
270 |
◊ |
K |
x,y,z |
1_555 |
30 |
14 |
10339 |
157.1 |
3.4 |
0.447 |
1 |
0 |
0 |
0.000 |
82 |
|
[ABN]d:8 |
8 |
1 |
271 |
◊ |
Y |
x,y,z |
1_555 |
28 |
14 |
10356 |
156.2 |
3.4 |
0.428 |
1 |
0 |
0 |
0.000 |
| Average: |
156.6 |
3.4 |
0.437 |
1 |
0 |
0 |
0.000 |
| 46 |
83 |
|
[MES]K:301 |
10 |
1 |
345 |
◊ |
K |
x,y,z |
1_555 |
27 |
8 |
10339 |
155.1 |
2.9 |
0.164 |
0 |
0 |
0 |
0.000 |
| 47 |
84 |
|
F |
16 |
4 |
12391 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
13300 |
147.1 |
-1.8 |
0.398 |
3 |
0 |
0 |
0.046 |
85 |
|
T |
15 |
4 |
12409 |
◊ |
O |
x,y,z |
1_555 |
17 |
4 |
13313 |
142.7 |
-1.7 |
0.404 |
3 |
0 |
0 |
0.046 |
| Average: |
144.9 |
-1.8 |
0.401 |
3 |
0 |
0 |
0.046 |
| 48 |
86 |
|
F |
16 |
5 |
12391 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
13102 |
140.7 |
0.8 |
0.726 |
3 |
0 |
0 |
0.008 |
87 |
|
T |
17 |
5 |
12409 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
13091 |
140.2 |
0.8 |
0.716 |
3 |
0 |
0 |
0.008 |
| Average: |
140.4 |
0.8 |
0.721 |
3 |
0 |
0 |
0.008 |
| 49 |
88 |
|
U |
16 |
4 |
12837 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
13091 |
131.8 |
-2.8 |
0.150 |
0 |
0 |
0 |
0.037 |
89 |
|
G |
15 |
4 |
12831 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
13102 |
124.3 |
-2.7 |
0.155 |
0 |
0 |
0 |
0.037 |
| Average: |
128.0 |
-2.8 |
0.153 |
0 |
0 |
0 |
0.037 |
| 50 |
90 |
|
T |
18 |
6 |
12409 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
12831 |
131.3 |
-0.1 |
0.592 |
2 |
0 |
0 |
0.000 |
| 51 |
91 |
|
R |
16 |
5 |
12835 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
13091 |
124.3 |
0.8 |
0.706 |
1 |
2 |
0 |
0.000 |
92 |
|
D |
15 |
4 |
12828 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
13102 |
123.5 |
0.8 |
0.696 |
1 |
2 |
0 |
0.000 |
| Average: |
123.9 |
0.8 |
0.701 |
1 |
2 |
0 |
0.000 |
| 52 |
93 |
|
E |
17 |
7 |
11936 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13102 |
123.1 |
0.8 |
0.665 |
1 |
1 |
0 |
0.000 |
94 |
|
S |
16 |
6 |
11932 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
13091 |
109.6 |
0.5 |
0.646 |
0 |
1 |
0 |
0.000 |
| Average: |
116.3 |
0.6 |
0.655 |
1 |
1 |
0 |
0.000 |
| 53 |
95 |
|
[ACA]c:4 |
8 |
1 |
296 |
◊ |
L |
x,y,z |
1_555 |
24 |
6 |
11876 |
119.0 |
2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
96 |
|
[ACA]d:4 |
7 |
1 |
299 |
◊ |
Z |
x,y,z |
1_555 |
23 |
6 |
11874 |
118.5 |
2.7 |
0.003 |
0 |
0 |
0 |
0.000 |
| Average: |
118.7 |
2.8 |
0.001 |
0 |
0 |
0 |
0.000 |
| 54 |
97 |
|
Q |
14 |
4 |
13040 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13313 |
98.6 |
-1.2 |
0.384 |
0 |
0 |
0 |
0.010 |
98 |
|
C |
14 |
4 |
13038 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13300 |
89.9 |
-1.1 |
0.397 |
0 |
0 |
0 |
0.010 |
| Average: |
94.2 |
-1.2 |
0.390 |
0 |
0 |
0 |
0.010 |
| 55 |
99 |
|
T |
10 |
2 |
12409 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
11936 |
97.9 |
-0.4 |
0.516 |
2 |
0 |
0 |
0.000 |
| 56 |
100 |
|
Y |
14 |
3 |
10356 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
13184 |
97.7 |
-1.7 |
0.308 |
0 |
0 |
0 |
0.023 |
101 |
|
K |
13 |
3 |
10339 |
◊ |
V |
x,y,z |
1_555 |
8 |
2 |
13167 |
95.0 |
-1.6 |
0.311 |
0 |
0 |
0 |
0.023 |
| Average: |
96.3 |
-1.6 |
0.309 |
0 |
0 |
0 |
0.023 |
| 57 |
102 |
|
a |
7 |
3 |
12453 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
12831 |
75.0 |
1.2 |
0.765 |
1 |
0 |
0 |
0.000 |
103 |
|
M |
7 |
3 |
12478 |
◊ |
U |
x,y,z |
1_555 |
8 |
4 |
12837 |
69.0 |
0.9 |
0.715 |
0 |
0 |
0 |
0.000 |
| Average: |
72.0 |
1.1 |
0.740 |
1 |
0 |
0 |
0.000 |
| 58 |
104 |
|
[ACA]d:4 |
4 |
1 |
299 |
cf |
d |
x,y,z |
1_555 |
8 |
1 |
757 |
66.4 |
2.2 |
0.071 |
0 |
0 |
0 |
0.000 |
105 |
|
[ACA]c:4 |
5 |
1 |
296 |
cf |
c |
x,y,z |
1_555 |
9 |
1 |
760 |
63.5 |
2.2 |
0.005 |
0 |
0 |
0 |
0.000 |
| Average: |
65.0 |
2.2 |
0.038 |
0 |
0 |
0 |
0.000 |
| 59 |
106 |
|
[MES]K:301 |
7 |
1 |
345 |
f |
c |
x,y,z |
1_555 |
7 |
1 |
760 |
66.1 |
1.8 |
0.161 |
0 |
0 |
0 |
0.000 |
| 60 |
107 |
|
[MES]Y:301 |
8 |
1 |
343 |
◊ |
d |
x,y,z |
1_555 |
8 |
1 |
757 |
63.4 |
1.7 |
0.093 |
0 |
0 |
0 |
0.000 |
| 61 |
108 |
|
E |
6 |
2 |
11936 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13300 |
55.9 |
-0.3 |
0.451 |
1 |
0 |
0 |
0.012 |
109 |
|
S |
6 |
2 |
11932 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13313 |
54.3 |
-0.4 |
0.439 |
1 |
0 |
0 |
0.012 |
| Average: |
55.1 |
-0.3 |
0.445 |
1 |
0 |
0 |
0.012 |
| 62 |
110 |
|
[ABN]c:8 |
4 |
1 |
270 |
cf |
c |
x,y,z |
1_555 |
6 |
2 |
760 |
51.5 |
0.1 |
0.242 |
0 |
0 |
0 |
0.000 |
111 |
|
[ABN]d:8 |
4 |
1 |
271 |
cf |
d |
x,y,z |
1_555 |
6 |
2 |
757 |
50.4 |
-0.0 |
0.238 |
0 |
0 |
0 |
0.000 |
| Average: |
51.0 |
0.0 |
0.240 |
0 |
0 |
0 |
0.000 |
| 63 |
112 |
|
U |
5 |
2 |
12837 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12391 |
47.2 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
| 64 |
113 |
|
V |
5 |
2 |
13167 |
◊ |
P |
x,y,z |
1_555 |
7 |
3 |
13091 |
37.6 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
114 |
|
H |
5 |
2 |
13184 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
13102 |
34.4 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
| Average: |
36.0 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
| 65 |
115 |
|
R |
4 |
2 |
12835 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13313 |
37.5 |
0.9 |
0.822 |
1 |
0 |
0 |
0.000 |
116 |
|
D |
3 |
2 |
12828 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13300 |
32.9 |
0.8 |
0.822 |
1 |
0 |
0 |
0.000 |
| Average: |
35.2 |
0.8 |
0.822 |
1 |
0 |
0 |
0.000 |
| 66 |
117 |
|
[ABN]c:8 |
3 |
1 |
270 |
f |
[MES]K:301 |
x,y,z |
1_555 |
2 |
1 |
345 |
22.2 |
0.4 |
0.080 |
0 |
0 |
0 |
0.000 |
| 67 |
118 |
|
[ABN]d:8 |
3 |
1 |
271 |
◊ |
[MES]Y:301 |
x,y,z |
1_555 |
2 |
1 |
343 |
21.6 |
0.5 |
0.089 |
0 |
0 |
0 |
0.000 |
| 68 |
119 |
|
[ACA]d:4 |
2 |
1 |
299 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10356 |
12.5 |
0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
120 |
|
[ACA]c:4 |
2 |
1 |
296 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
10339 |
11.4 |
0.0 |
0.435 |
0 |
0 |
0 |
0.000 |
| Average: |
12.0 |
0.0 |
0.431 |
0 |
0 |
0 |
0.000 |
| 69 |
121 |
|
[ABN]c:8 |
2 |
1 |
270 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11876 |
11.9 |
0.5 |
0.505 |
0 |
0 |
0 |
0.000 |
122 |
|
[ABN]d:8 |
2 |
1 |
271 |
◊ |
Z |
x,y,z |
1_555 |
1 |
1 |
11874 |
11.5 |
0.5 |
0.503 |
0 |
0 |
0 |
0.000 |
| Average: |
11.7 |
0.5 |
0.504 |
0 |
0 |
0 |
0.000 |
| 70 |
123 |
|
S |
1 |
1 |
11932 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13038 |
8.4 |
0.0 |
0.455 |
0 |
0 |
0 |
0.000 |
| 71 |
124 |
|
[MES]Y:301 |
1 |
1 |
343 |
f |
I |
x,y,z |
1_555 |
1 |
1 |
9948 |
7.5 |
0.1 |
0.259 |
0 |
0 |
0 |
0.000 |
|