## |
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 |
|
B |
82 |
8 |
2745 |
◊ |
A |
x,y,z |
1_555 |
100 |
27 |
17911 |
808.7 |
-6.9 |
0.599 |
12 |
0 |
0 |
0.159 |
2 |
|
F |
84 |
9 |
2720 |
◊ |
E |
x,y,z |
1_555 |
99 |
28 |
16427 |
786.7 |
-3.3 |
0.732 |
10 |
0 |
0 |
0.159 |
Average: |
797.7 |
-5.1 |
0.665 |
11 |
0 |
0 |
0.159 |
2 |
3 |
|
J |
68 |
9 |
2641 |
◊ |
I |
x,y,z |
1_555 |
75 |
21 |
16957 |
592.9 |
-0.6 |
0.722 |
11 |
0 |
0 |
0.074 |
4 |
|
N |
65 |
9 |
2650 |
◊ |
M |
x,y,z |
1_555 |
75 |
22 |
16928 |
569.5 |
-0.8 |
0.735 |
9 |
0 |
0 |
0.074 |
Average: |
581.2 |
-0.7 |
0.729 |
10 |
0 |
0 |
0.074 |
3 |
5 |
|
M |
58 |
18 |
16928 |
◊ |
A |
x,y,z |
1_555 |
62 |
17 |
17911 |
572.5 |
-0.8 |
0.621 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
L |
40 |
4 |
1152 |
◊ |
I |
x,y,z |
1_555 |
49 |
17 |
16957 |
402.7 |
-5.7 |
0.481 |
11 |
0 |
0 |
0.217 |
7 |
|
D |
36 |
3 |
1150 |
◊ |
A |
x,y,z |
1_555 |
57 |
18 |
17911 |
384.6 |
-7.7 |
0.386 |
15 |
0 |
0 |
0.217 |
Average: |
393.7 |
-6.7 |
0.433 |
13 |
0 |
0 |
0.217 |
5 |
8 |
|
E |
40 |
12 |
16427 |
◊ |
E |
-x,-y+1,z |
2_565 |
40 |
12 |
16427 |
389.5 |
-4.0 |
0.303 |
4 |
4 |
0 |
0.000 |
6 |
9 |
|
P |
36 |
3 |
1148 |
◊ |
M |
x,y,z |
1_555 |
52 |
18 |
16928 |
382.8 |
-8.2 |
0.366 |
12 |
0 |
0 |
0.208 |
10 |
|
H |
35 |
3 |
1151 |
◊ |
E |
x,y,z |
1_555 |
53 |
17 |
16427 |
379.8 |
-7.4 |
0.381 |
11 |
0 |
0 |
0.208 |
Average: |
381.3 |
-7.8 |
0.374 |
12 |
0 |
0 |
0.208 |
7 |
11 |
|
C |
38 |
4 |
1493 |
◊ |
A |
x,y,z |
1_555 |
47 |
20 |
17911 |
365.8 |
-6.9 |
0.329 |
11 |
0 |
0 |
0.182 |
12 |
|
O |
34 |
4 |
1505 |
◊ |
M |
x,y,z |
1_555 |
47 |
18 |
16928 |
350.1 |
-3.7 |
0.421 |
12 |
0 |
0 |
0.182 |
13 |
|
G |
40 |
4 |
1507 |
◊ |
E |
x,y,z |
1_555 |
46 |
20 |
16427 |
346.4 |
-7.8 |
0.297 |
11 |
0 |
0 |
0.182 |
Average: |
354.1 |
-6.1 |
0.349 |
11 |
0 |
0 |
0.182 |
8 |
14 |
|
K |
39 |
4 |
1589 |
◊ |
I |
x,y,z |
1_555 |
45 |
20 |
16957 |
364.2 |
-6.4 |
0.324 |
13 |
0 |
0 |
0.204 |
9 |
15 |
|
[1RY]I:601 |
27 |
1 |
594 |
f |
I |
x,y,z |
1_555 |
41 |
16 |
16957 |
319.0 |
0.5 |
0.424 |
11 |
0 |
0 |
0.090 |
16 |
|
[1RY]M:601 |
26 |
1 |
595 |
f |
M |
x,y,z |
1_555 |
43 |
17 |
16928 |
313.1 |
0.3 |
0.452 |
11 |
0 |
0 |
0.090 |
Average: |
316.0 |
0.4 |
0.438 |
11 |
0 |
0 |
0.090 |
10 |
17 |
|
K |
32 |
6 |
1589 |
◊ |
J |
x,y,z |
1_555 |
35 |
7 |
2641 |
318.3 |
1.1 |
0.702 |
12 |
0 |
0 |
0.146 |
11 |
18 |
|
M |
32 |
13 |
16928 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
32 |
11 |
17911 |
294.8 |
-1.3 |
0.533 |
2 |
0 |
0 |
0.000 |
12 |
19 |
|
I |
35 |
7 |
16957 |
◊ |
E |
-x,-y,z |
2_555 |
31 |
10 |
16427 |
289.9 |
-1.5 |
0.495 |
3 |
0 |
0 |
0.000 |
20 |
|
M |
31 |
7 |
16928 |
◊ |
A |
-x,-y,z |
2_555 |
31 |
7 |
17911 |
248.7 |
-2.4 |
0.418 |
1 |
0 |
0 |
0.000 |
Average: |
269.3 |
-2.0 |
0.457 |
2 |
0 |
0 |
0.000 |
13 |
21 |
|
I |
36 |
9 |
16957 |
◊ |
E |
x,y,z |
1_555 |
30 |
10 |
16427 |
285.1 |
-0.9 |
0.576 |
5 |
1 |
0 |
0.000 |
14 |
22 |
|
O |
27 |
6 |
1505 |
◊ |
N |
x,y,z |
1_555 |
29 |
7 |
2650 |
284.9 |
-3.2 |
0.489 |
15 |
0 |
0 |
0.779 |
23 |
|
C |
27 |
6 |
1493 |
◊ |
B |
x,y,z |
1_555 |
31 |
7 |
2745 |
284.7 |
-2.4 |
0.547 |
17 |
0 |
0 |
0.779 |
24 |
|
G |
25 |
6 |
1507 |
◊ |
F |
x,y,z |
1_555 |
29 |
7 |
2720 |
279.1 |
-2.5 |
0.530 |
17 |
0 |
0 |
0.779 |
Average: |
282.9 |
-2.7 |
0.522 |
16 |
0 |
0 |
0.779 |
15 |
25 |
|
[1RY]E:601 |
28 |
1 |
563 |
f |
E |
x,y,z |
1_555 |
43 |
17 |
16427 |
284.1 |
0.2 |
0.396 |
10 |
0 |
0 |
0.067 |
26 |
|
[1RY]A:601 |
27 |
1 |
560 |
f |
A |
x,y,z |
1_555 |
43 |
17 |
17911 |
281.2 |
0.0 |
0.416 |
9 |
0 |
0 |
0.067 |
Average: |
282.7 |
0.1 |
0.406 |
10 |
0 |
0 |
0.067 |
16 |
27 |
|
M |
32 |
11 |
16928 |
◊ |
A |
x,y-1,z |
1_545 |
23 |
7 |
17911 |
261.5 |
-4.2 |
0.199 |
2 |
2 |
0 |
0.000 |
17 |
28 |
|
E |
31 |
8 |
16427 |
◊ |
A |
x,y,z-1 |
1_554 |
30 |
8 |
17911 |
260.7 |
-2.3 |
0.405 |
2 |
2 |
0 |
0.000 |
29 |
|
I |
31 |
8 |
16957 |
◊ |
M |
x,y,z-1 |
1_554 |
25 |
8 |
16928 |
234.5 |
-1.6 |
0.454 |
1 |
0 |
0 |
0.000 |
Average: |
247.6 |
-2.0 |
0.430 |
2 |
1 |
0 |
0.000 |
18 |
30 |
|
M |
22 |
9 |
16928 |
◊ |
I |
x,y,z |
1_555 |
21 |
7 |
16957 |
211.3 |
-1.4 |
0.380 |
2 |
2 |
0 |
0.000 |
31 |
|
E |
20 |
7 |
16427 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
17911 |
188.7 |
-1.0 |
0.489 |
2 |
2 |
0 |
0.000 |
Average: |
200.0 |
-1.2 |
0.435 |
2 |
2 |
0 |
0.000 |
19 |
32 |
|
L |
19 |
4 |
1152 |
◊ |
J |
x,y,z |
1_555 |
19 |
4 |
2641 |
193.6 |
-2.7 |
0.520 |
14 |
0 |
0 |
0.502 |
20 |
33 |
|
D |
19 |
4 |
1150 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
2745 |
191.8 |
-2.0 |
0.553 |
14 |
0 |
0 |
0.703 |
21 |
34 |
|
H |
21 |
4 |
1151 |
◊ |
F |
x,y,z |
1_555 |
19 |
4 |
2720 |
191.4 |
-2.1 |
0.576 |
14 |
0 |
0 |
0.603 |
22 |
35 |
|
P |
20 |
4 |
1148 |
◊ |
N |
x,y,z |
1_555 |
17 |
4 |
2650 |
188.9 |
-2.9 |
0.510 |
14 |
0 |
0 |
0.666 |
23 |
36 |
|
I |
22 |
6 |
16957 |
◊ |
E |
-x-1/2,y-1/2,-z-1 |
4_444 |
16 |
6 |
16427 |
155.8 |
-0.3 |
0.589 |
1 |
0 |
0 |
0.000 |
24 |
37 |
|
M |
14 |
5 |
16928 |
◊ |
I |
-x-1/2,y-1/2,-z |
4_445 |
22 |
7 |
16957 |
155.3 |
-0.3 |
0.602 |
1 |
0 |
0 |
0.000 |
25 |
38 |
|
F |
23 |
4 |
2720 |
◊ |
I |
x,y,z |
1_555 |
13 |
3 |
16957 |
137.9 |
2.9 |
0.865 |
1 |
0 |
0 |
0.000 |
26 |
39 |
|
C |
13 |
1 |
1493 |
◊ |
M |
x,y,z |
1_555 |
18 |
7 |
16928 |
136.4 |
0.5 |
0.536 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
G |
14 |
4 |
1507 |
◊ |
I |
x,y,z |
1_555 |
14 |
4 |
16957 |
129.9 |
0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
41 |
|
O |
11 |
1 |
1505 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
17911 |
73.8 |
1.4 |
0.723 |
0 |
0 |
0 |
0.000 |
Average: |
101.8 |
0.8 |
0.628 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
B |
18 |
4 |
2745 |
◊ |
M |
x,y,z |
1_555 |
14 |
5 |
16928 |
109.8 |
-0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
P |
14 |
1 |
1148 |
◊ |
B |
-x,-y,z |
2_555 |
12 |
1 |
2745 |
105.1 |
2.4 |
0.804 |
0 |
0 |
0 |
0.000 |
44 |
|
H |
15 |
1 |
1151 |
◊ |
J |
-x,-y,z |
2_555 |
10 |
1 |
2641 |
101.3 |
2.6 |
0.819 |
0 |
0 |
0 |
0.000 |
Average: |
103.2 |
2.5 |
0.811 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
L |
15 |
1 |
1152 |
◊ |
F |
-x,-y,z |
2_555 |
12 |
1 |
2720 |
105.0 |
2.6 |
0.808 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
K |
11 |
1 |
1589 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
17911 |
105.0 |
2.6 |
0.782 |
3 |
0 |
0 |
0.000 |
32 |
47 |
|
[ACT]E:608 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
16427 |
102.0 |
-1.6 |
0.472 |
1 |
0 |
0 |
0.033 |
33 |
48 |
|
[1RY]A:601 |
12 |
1 |
560 |
◊ |
C |
x,y,z |
1_555 |
14 |
1 |
1493 |
98.8 |
1.1 |
0.428 |
0 |
0 |
0 |
0.000 |
49 |
|
[1RY]E:601 |
12 |
1 |
563 |
◊ |
G |
x,y,z |
1_555 |
13 |
1 |
1507 |
91.0 |
1.9 |
0.437 |
0 |
0 |
0 |
0.000 |
Average: |
94.9 |
1.5 |
0.432 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
[ACT]I:605 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
16 |
8 |
16957 |
98.4 |
-1.3 |
0.511 |
1 |
0 |
0 |
0.036 |
35 |
51 |
|
[ACT]A:608 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
17911 |
97.9 |
-0.8 |
0.560 |
1 |
0 |
0 |
0.017 |
36 |
52 |
|
D |
15 |
1 |
1150 |
◊ |
N |
-x,-y,z |
2_555 |
12 |
1 |
2650 |
97.6 |
2.6 |
0.813 |
0 |
0 |
0 |
0.000 |
37 |
53 |
|
E |
10 |
4 |
16427 |
◊ |
M |
-x,-y,z-1 |
2_554 |
10 |
3 |
16928 |
95.4 |
1.4 |
0.835 |
2 |
4 |
0 |
0.000 |
38 |
54 |
|
A |
9 |
2 |
17911 |
◊ |
A |
-x,-y,z |
2_555 |
9 |
2 |
17911 |
86.0 |
-0.9 |
0.431 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
J |
11 |
1 |
2641 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
17911 |
80.9 |
1.1 |
0.717 |
1 |
0 |
0 |
0.000 |
40 |
56 |
|
[1RY]I:601 |
9 |
1 |
594 |
◊ |
K |
x,y,z |
1_555 |
9 |
1 |
1589 |
74.4 |
1.6 |
0.421 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
[1RY]M:601 |
8 |
1 |
595 |
◊ |
O |
x,y,z |
1_555 |
9 |
1 |
1505 |
72.8 |
1.7 |
0.461 |
0 |
0 |
0 |
0.000 |
42 |
58 |
|
M |
12 |
6 |
16928 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
7 |
3 |
16427 |
69.0 |
0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
43 |
59 |
|
[ACT]F:102 |
3 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
14 |
4 |
2720 |
64.2 |
0.6 |
0.729 |
2 |
0 |
0 |
0.022 |
44 |
60 |
|
[CAC]E:607 |
4 |
1 |
237 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
16427 |
64.2 |
1.1 |
0.176 |
0 |
0 |
0 |
0.000 |
45 |
61 |
|
J |
9 |
3 |
2641 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
16427 |
60.9 |
-0.9 |
0.508 |
2 |
0 |
0 |
0.000 |
46 |
62 |
|
[1RY]A:601 |
5 |
1 |
560 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
2745 |
58.8 |
-0.1 |
0.537 |
2 |
0 |
0 |
0.012 |
63 |
|
[1RY]E:601 |
5 |
1 |
563 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
2720 |
57.0 |
-0.0 |
0.516 |
2 |
0 |
0 |
0.012 |
Average: |
57.9 |
-0.0 |
0.527 |
2 |
0 |
0 |
0.012 |
47 |
64 |
|
K |
5 |
2 |
1589 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
16427 |
55.4 |
-1.2 |
0.313 |
0 |
0 |
0 |
0.000 |
48 |
65 |
|
[CAC]M:606 |
4 |
1 |
237 |
◊ |
M |
x,y,z |
1_555 |
9 |
3 |
16928 |
54.4 |
0.9 |
0.189 |
0 |
0 |
0 |
0.000 |
49 |
66 |
|
[1RY]M:601 |
8 |
1 |
595 |
◊ |
N |
x,y,z |
1_555 |
10 |
2 |
2650 |
54.2 |
-1.1 |
0.384 |
2 |
0 |
0 |
0.024 |
67 |
|
[1RY]I:601 |
7 |
1 |
594 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
2641 |
43.6 |
-1.2 |
0.318 |
1 |
0 |
0 |
0.024 |
Average: |
48.9 |
-1.1 |
0.351 |
2 |
0 |
0 |
0.024 |
50 |
68 |
|
[ACT]B:102 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
2745 |
52.9 |
1.0 |
0.797 |
1 |
0 |
0 |
0.000 |
51 |
69 |
|
[CAC]E:607 |
3 |
1 |
237 |
◊ |
I |
x,y,z |
1_555 |
4 |
3 |
16957 |
49.8 |
1.5 |
0.359 |
0 |
0 |
0 |
0.000 |
52 |
70 |
|
[ACT]M:607 |
4 |
1 |
184 |
f |
M |
x,y,z |
1_555 |
6 |
1 |
16928 |
48.5 |
-0.7 |
0.504 |
0 |
0 |
0 |
0.012 |
53 |
71 |
|
L |
7 |
1 |
1152 |
◊ |
H |
-x,-y,z |
2_555 |
8 |
1 |
1151 |
47.7 |
-0.6 |
0.546 |
0 |
0 |
0 |
0.000 |
72 |
|
P |
8 |
1 |
1148 |
◊ |
D |
-x,-y,z |
2_555 |
7 |
1 |
1150 |
45.8 |
-0.3 |
0.581 |
0 |
0 |
0 |
0.000 |
Average: |
46.7 |
-0.5 |
0.563 |
0 |
0 |
0 |
0.000 |
54 |
73 |
|
M |
7 |
1 |
16928 |
◊ |
M |
-x,-y-1,z |
2_545 |
7 |
1 |
16928 |
41.5 |
-0.3 |
0.542 |
0 |
0 |
0 |
0.000 |
55 |
74 |
|
[CA]A:607 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
17911 |
41.1 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.145 |
75 |
|
[CA]E:606 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
16427 |
40.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
40.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.145 |
56 |
76 |
|
[CA]I:604 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
12 |
5 |
16957 |
39.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.138 |
77 |
|
[CA]M:605 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
8 |
4 |
16928 |
33.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.138 |
78 |
|
[CA]E:602 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
16427 |
30.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.138 |
79 |
|
[CA]A:605 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17911 |
29.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.138 |
Average: |
33.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.138 |
57 |
80 |
|
[CA]J:101 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
5 |
3 |
2641 |
38.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.498 |
58 |
81 |
|
[CA]M:602 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
7 |
5 |
16928 |
37.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.147 |
82 |
|
[CA]A:603 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17911 |
34.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
35.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.147 |
59 |
83 |
|
[CA]I:602 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
10 |
7 |
16957 |
36.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.175 |
84 |
|
[CA]M:603 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
8 |
7 |
16928 |
36.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.175 |
85 |
|
[CA]A:602 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
17911 |
36.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.175 |
86 |
|
[CA]E:605 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
7 |
6 |
16427 |
36.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.175 |
Average: |
36.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.175 |
60 |
87 |
|
[CA]M:604 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
6 |
3 |
16928 |
35.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.153 |
88 |
|
[CA]I:603 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
5 |
3 |
16957 |
34.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.153 |
89 |
|
[CA]E:603 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
16427 |
27.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.153 |
90 |
|
[CA]A:606 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17911 |
25.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.153 |
Average: |
30.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.153 |
61 |
91 |
|
[ACT]F:102 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
1151 |
31.6 |
-0.3 |
0.659 |
0 |
0 |
0 |
0.019 |
62 |
92 |
|
N |
7 |
1 |
2650 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
17911 |
31.0 |
0.5 |
0.702 |
0 |
0 |
0 |
0.000 |
63 |
93 |
|
[CA]A:604 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17911 |
30.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.073 |
64 |
94 |
|
E |
5 |
1 |
16427 |
◊ |
E |
-x,-y,z |
2_555 |
5 |
1 |
16427 |
30.4 |
-0.2 |
0.568 |
0 |
0 |
0 |
0.000 |
65 |
95 |
|
[CAC]M:606 |
4 |
1 |
237 |
◊ |
M |
-x,-y-1,z |
2_545 |
7 |
4 |
16928 |
29.3 |
0.7 |
0.102 |
0 |
0 |
0 |
0.000 |
66 |
96 |
|
[CA]E:602 |
1 |
1 |
85 |
f |
[1RY]E:601 |
x,y,z |
1_555 |
4 |
1 |
563 |
28.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.084 |
97 |
|
[CA]A:605 |
1 |
1 |
85 |
f |
[1RY]A:601 |
x,y,z |
1_555 |
4 |
1 |
560 |
27.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.084 |
98 |
|
[CA]I:604 |
1 |
1 |
85 |
f |
[1RY]I:601 |
x,y,z |
1_555 |
4 |
1 |
594 |
26.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.084 |
99 |
|
[CA]M:605 |
1 |
1 |
85 |
f |
[1RY]M:601 |
x,y,z |
1_555 |
8 |
1 |
595 |
26.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
27.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.084 |
67 |
100 |
|
[CA]K:101 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
7 |
2 |
1589 |
26.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.145 |
68 |
101 |
|
[ACT]B:102 |
2 |
1 |
182 |
◊ |
N |
-x,-y,z |
2_555 |
4 |
1 |
2650 |
25.8 |
0.5 |
0.660 |
0 |
0 |
0 |
0.000 |
69 |
102 |
|
[CA]M:603 |
1 |
1 |
85 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
1505 |
25.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.085 |
103 |
|
[CA]E:605 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1507 |
25.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.085 |
104 |
|
[CA]A:602 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1493 |
25.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
25.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.085 |
70 |
105 |
|
[CA]I:602 |
1 |
1 |
85 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
1589 |
25.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.086 |
71 |
106 |
|
[ACT]B:102 |
3 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
5 |
1 |
1150 |
25.4 |
0.5 |
0.657 |
0 |
0 |
0 |
0.000 |
72 |
107 |
|
[CA]M:602 |
1 |
1 |
85 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
1148 |
24.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.078 |
108 |
|
[CA]A:603 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
1150 |
22.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
23.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.078 |
73 |
109 |
|
[CA]N:101 |
1 |
1 |
85 |
f |
N |
x,y,z |
1_555 |
6 |
2 |
2650 |
23.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.334 |
74 |
110 |
|
[CA]E:603 |
1 |
1 |
85 |
f |
[1RY]E:601 |
x,y,z |
1_555 |
4 |
1 |
563 |
22.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.050 |
111 |
|
[CA]A:606 |
1 |
1 |
85 |
f |
[1RY]A:601 |
x,y,z |
1_555 |
4 |
1 |
560 |
22.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.050 |
112 |
|
[CA]I:603 |
1 |
1 |
85 |
f |
[1RY]I:601 |
x,y,z |
1_555 |
5 |
1 |
594 |
14.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.050 |
113 |
|
[CA]M:604 |
1 |
1 |
85 |
f |
[1RY]M:601 |
x,y,z |
1_555 |
3 |
1 |
595 |
5.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
16.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.050 |
75 |
114 |
|
I |
4 |
1 |
16957 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
3 |
2 |
17911 |
22.4 |
-1.1 |
0.176 |
0 |
0 |
0 |
0.000 |
76 |
115 |
|
[CA]A:606 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
1493 |
21.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.043 |
116 |
|
[CA]E:603 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
1507 |
15.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.043 |
117 |
|
[CA]I:603 |
1 |
1 |
85 |
◊ |
K |
x,y,z |
1_555 |
5 |
1 |
1589 |
10.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.043 |
118 |
|
[CA]M:604 |
1 |
1 |
85 |
◊ |
O |
x,y,z |
1_555 |
4 |
1 |
1505 |
7.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
13.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.043 |
77 |
119 |
|
[CA]K:101 |
1 |
1 |
85 |
◊ |
J |
x,y,z |
1_555 |
6 |
1 |
2641 |
20.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.104 |
78 |
120 |
|
[ACT]F:102 |
2 |
1 |
182 |
◊ |
J |
-x,-y,z |
2_555 |
3 |
1 |
2641 |
19.6 |
0.5 |
0.668 |
0 |
0 |
0 |
0.000 |
79 |
121 |
|
F |
2 |
1 |
2720 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
1 |
17911 |
17.9 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
80 |
122 |
|
I |
3 |
1 |
16957 |
◊ |
N |
x,y,z-1 |
1_554 |
3 |
1 |
2650 |
17.8 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
81 |
123 |
|
[CAC]M:606 |
2 |
1 |
237 |
f |
A |
x,y-1,z |
1_545 |
2 |
1 |
17911 |
17.7 |
0.6 |
0.389 |
0 |
0 |
0 |
0.000 |
82 |
124 |
|
N |
3 |
1 |
2650 |
◊ |
B |
-x,-y,z |
2_555 |
3 |
1 |
2745 |
17.0 |
-1.1 |
0.365 |
0 |
0 |
0 |
0.000 |
125 |
|
J |
3 |
1 |
2641 |
◊ |
F |
-x,-y,z |
2_555 |
3 |
1 |
2720 |
13.1 |
-0.9 |
0.387 |
0 |
0 |
0 |
0.000 |
Average: |
15.0 |
-1.0 |
0.376 |
0 |
0 |
0 |
0.000 |
83 |
126 |
|
[CA]A:604 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
2745 |
16.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.042 |
84 |
127 |
|
[CA]M:605 |
1 |
1 |
85 |
f |
[CA]M:604 |
x,y,z |
1_555 |
1 |
1 |
85 |
16.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.081 |
85 |
128 |
|
[CA]F:101 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
2720 |
15.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.242 |
129 |
|
[CA]B:101 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
2745 |
14.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.242 |
Average: |
15.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.242 |
86 |
130 |
|
[CAC]E:607 |
4 |
1 |
237 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
2720 |
14.7 |
-0.4 |
0.071 |
0 |
0 |
0 |
0.028 |
87 |
131 |
|
[CA]E:604 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
16427 |
14.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.039 |
88 |
132 |
|
[CA]A:603 |
1 |
1 |
85 |
◊ |
M |
-x,-y,z |
2_555 |
1 |
1 |
16928 |
14.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
133 |
|
B |
3 |
1 |
2745 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
16957 |
13.5 |
0.6 |
0.722 |
0 |
0 |
0 |
0.000 |
90 |
134 |
|
[CA]E:604 |
1 |
1 |
85 |
f |
[1RY]E:601 |
x,y,z |
1_555 |
4 |
1 |
563 |
12.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
91 |
135 |
|
[CA]N:101 |
1 |
1 |
85 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
16928 |
11.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.022 |
92 |
136 |
|
[CA]F:101 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
1151 |
10.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.143 |
137 |
|
[CA]B:101 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
1150 |
10.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.143 |
Average: |
10.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.143 |
93 |
138 |
|
[CA]I:604 |
1 |
1 |
85 |
f |
[CA]I:603 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.063 |
94 |
139 |
|
H |
3 |
1 |
1151 |
◊ |
I |
-x,-y,z |
2_555 |
1 |
1 |
16957 |
9.5 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
95 |
140 |
|
[CA]E:603 |
1 |
1 |
85 |
f |
[CA]E:602 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.035 |
96 |
141 |
|
[CA]A:606 |
1 |
1 |
85 |
f |
[CA]A:605 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.028 |
97 |
142 |
|
[CA]E:604 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1507 |
5.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
98 |
143 |
|
D |
1 |
1 |
1150 |
◊ |
M |
-x,-y,z |
2_555 |
1 |
1 |
16928 |
4.7 |
-0.1 |
0.396 |
0 |
0 |
0 |
0.000 |
99 |
144 |
|
[CA]A:604 |
1 |
1 |
85 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
16928 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
100 |
145 |
|
[CA]K:101 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17911 |
4.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
|