## |
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 |
|
A |
81 |
9 |
13337 |
◊ |
C |
x,y,z-1 |
1_554 |
79 |
9 |
13440 |
632.7 |
-7.4 |
0.982 |
0 |
0 |
0 |
0.024 |
2 |
|
D |
82 |
9 |
13266 |
◊ |
B |
x,y,z-1 |
1_554 |
82 |
10 |
13169 |
621.9 |
-10.2 |
0.974 |
2 |
0 |
0 |
0.024 |
Average: |
627.3 |
-8.8 |
0.978 |
1 |
0 |
0 |
0.024 |
2 |
3 |
|
A |
60 |
12 |
13337 |
x |
A |
-x+2,y-1/2,-z |
2_745 |
57 |
11 |
13337 |
459.3 |
-16.9 |
0.754 |
0 |
0 |
0 |
0.000 |
4 |
|
B |
59 |
11 |
13169 |
x |
B |
-x+3,y-1/2,-z+1 |
2_846 |
57 |
11 |
13169 |
453.4 |
-16.5 |
0.769 |
0 |
0 |
0 |
0.000 |
5 |
|
C |
50 |
12 |
13440 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
51 |
13 |
13440 |
385.2 |
-13.5 |
0.765 |
1 |
0 |
0 |
0.000 |
6 |
|
D |
47 |
12 |
13266 |
x |
D |
-x+3,y-1/2,-z |
2_845 |
48 |
13 |
13266 |
369.8 |
-13.1 |
0.744 |
0 |
0 |
0 |
0.000 |
Average: |
416.9 |
-15.0 |
0.758 |
0 |
0 |
0 |
0.000 |
3 |
7 |
|
C |
51 |
7 |
13440 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
57 |
12 |
13337 |
416.9 |
-7.5 |
0.917 |
0 |
0 |
0 |
0.000 |
8 |
|
D |
47 |
7 |
13266 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
54 |
12 |
13169 |
409.9 |
-6.8 |
0.915 |
0 |
0 |
0 |
0.000 |
9 |
|
D |
52 |
12 |
13266 |
◊ |
B |
-x+3,y-1/2,-z |
2_845 |
45 |
7 |
13169 |
385.2 |
-6.9 |
0.886 |
0 |
0 |
0 |
0.000 |
10 |
|
C |
55 |
13 |
13440 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
43 |
7 |
13337 |
378.7 |
-6.4 |
0.908 |
0 |
0 |
0 |
0.000 |
Average: |
397.7 |
-6.9 |
0.907 |
0 |
0 |
0 |
0.000 |
4 |
11 |
|
C |
44 |
10 |
13440 |
◊ |
B |
x,y,z |
1_555 |
43 |
9 |
13169 |
325.4 |
-6.5 |
0.892 |
0 |
0 |
0 |
0.015 |
5 |
12 |
|
[GTP]A:1 |
29 |
1 |
603 |
cf |
A |
x,y,z |
1_555 |
50 |
12 |
13337 |
321.0 |
-0.1 |
0.860 |
2 |
0 |
0 |
0.006 |
13 |
|
[GTP]B:1 |
30 |
1 |
594 |
cf |
B |
x,y,z |
1_555 |
49 |
11 |
13169 |
318.0 |
-0.4 |
0.858 |
2 |
0 |
0 |
0.006 |
14 |
|
[GTP]D:1 |
30 |
1 |
591 |
cf |
D |
x,y,z |
1_555 |
50 |
12 |
13266 |
306.9 |
-0.7 |
0.859 |
2 |
0 |
0 |
0.006 |
15 |
|
[GTP]C:1 |
30 |
1 |
591 |
cf |
C |
x,y,z |
1_555 |
46 |
11 |
13440 |
304.3 |
-0.5 |
0.850 |
2 |
0 |
0 |
0.006 |
Average: |
312.5 |
-0.4 |
0.857 |
2 |
0 |
0 |
0.006 |
6 |
16 |
|
D |
30 |
6 |
13266 |
◊ |
B |
x,y,z |
1_555 |
32 |
7 |
13169 |
282.7 |
-9.6 |
0.659 |
0 |
0 |
0 |
0.014 |
17 |
|
C |
31 |
6 |
13440 |
◊ |
A |
x,y,z |
1_555 |
33 |
6 |
13337 |
277.1 |
-9.3 |
0.689 |
0 |
0 |
0 |
0.014 |
Average: |
279.9 |
-9.4 |
0.674 |
0 |
0 |
0 |
0.014 |
7 |
18 |
|
[PRF]A:117 |
13 |
1 |
332 |
f |
A |
x,y,z |
1_555 |
38 |
7 |
13337 |
207.9 |
3.5 |
0.502 |
2 |
0 |
0 |
0.000 |
19 |
|
[PRF]B:109 |
13 |
1 |
333 |
f |
B |
x,y,z |
1_555 |
39 |
7 |
13169 |
207.1 |
3.8 |
0.528 |
2 |
0 |
0 |
0.000 |
20 |
|
[PRF]D:106 |
13 |
1 |
334 |
f |
D |
x,y,z |
1_555 |
35 |
7 |
13266 |
204.7 |
3.6 |
0.498 |
3 |
0 |
0 |
0.000 |
Average: |
206.6 |
3.6 |
0.509 |
2 |
0 |
0 |
0.000 |
8 |
21 |
|
[PRF]C:104 |
13 |
1 |
330 |
f |
C |
x,y,z |
1_555 |
35 |
6 |
13440 |
200.5 |
4.0 |
0.597 |
2 |
0 |
0 |
0.000 |
9 |
22 |
|
D |
26 |
6 |
13266 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
22 |
3 |
13337 |
170.9 |
-4.0 |
0.796 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
[CS]A:114 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
13337 |
133.2 |
-36.7 |
0.000 |
0 |
0 |
0 |
0.054 |
11 |
24 |
|
[CS]A:111 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
13337 |
122.6 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.072 |
25 |
|
[CS]D:104 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
13266 |
116.9 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
119.8 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.072 |
12 |
26 |
|
[CS]B:104 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
13169 |
119.3 |
-36.5 |
0.000 |
0 |
0 |
0 |
0.086 |
27 |
|
[CS]A:106 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
13337 |
118.9 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
119.1 |
-35.8 |
0.000 |
0 |
0 |
0 |
0.086 |
13 |
28 |
|
[CS]C:103 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
13440 |
116.8 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.090 |
29 |
|
[CS]A:113 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13337 |
110.1 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
113.4 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.090 |
14 |
30 |
|
[CS]A:112 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13337 |
110.7 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.059 |
31 |
|
[CS]B:107 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
13169 |
94.8 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
102.8 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.059 |
15 |
32 |
|
[CS]A:107 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13337 |
109.0 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.069 |
33 |
|
[CS]B:105 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13169 |
104.5 |
-29.1 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
106.8 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.069 |
16 |
34 |
|
[CS]A:116 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13337 |
105.6 |
-30.3 |
0.000 |
0 |
0 |
0 |
0.045 |
17 |
35 |
|
[CS]A:103 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13337 |
104.3 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.063 |
36 |
|
[CS]D:103 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
13266 |
104.0 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
104.1 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.063 |
18 |
37 |
|
[CS]D:102 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
13266 |
102.2 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.138 |
38 |
|
[CS]A:102 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13337 |
101.6 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.138 |
39 |
|
[CS]C:101 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
13440 |
101.5 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.138 |
40 |
|
[CS]B:101 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13169 |
101.1 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.138 |
Average: |
101.6 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.138 |
19 |
41 |
|
[CS]A:104 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13337 |
99.6 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.039 |
20 |
42 |
|
[CS]B:106 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
13169 |
99.3 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.060 |
43 |
|
[CS]A:109 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13337 |
97.4 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
98.3 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.060 |
21 |
44 |
|
D |
12 |
3 |
13266 |
◊ |
C |
-x+3,y-1/2,-z+1 |
2_846 |
12 |
2 |
13440 |
97.3 |
-4.3 |
0.537 |
0 |
0 |
0 |
0.000 |
22 |
45 |
|
[CS]B:103 |
1 |
1 |
216 |
f |
B |
-x+3,y-1/2,-z+1 |
2_846 |
11 |
4 |
13169 |
94.5 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.060 |
46 |
|
[CS]A:108 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13337 |
94.0 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
94.2 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.060 |
23 |
47 |
|
[CS]A:110 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13337 |
93.1 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.034 |
24 |
48 |
|
B |
13 |
3 |
13169 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
13337 |
90.5 |
-1.2 |
0.782 |
0 |
0 |
0 |
0.000 |
25 |
49 |
|
[CS]A:110 |
1 |
1 |
216 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
4 |
13440 |
89.8 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.031 |
26 |
50 |
|
[CS]B:102 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
13169 |
89.6 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.108 |
51 |
|
[CS]D:101 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
13266 |
88.5 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.108 |
52 |
|
[CS]C:102 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
13440 |
88.4 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.108 |
53 |
|
[CS]A:105 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
13337 |
85.7 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
88.0 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.108 |
27 |
54 |
|
[CS]A:101 |
1 |
1 |
216 |
f |
[GTP]A:1 |
x,y,z |
1_555 |
11 |
1 |
603 |
88.0 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.095 |
55 |
|
[CS]B:108 |
1 |
1 |
216 |
f |
[GTP]B:1 |
x,y,z |
1_555 |
8 |
1 |
594 |
86.6 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.095 |
56 |
|
[CS]D:105 |
1 |
1 |
216 |
f |
[GTP]D:1 |
x,y,z |
1_555 |
8 |
1 |
591 |
84.6 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
86.4 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.095 |
28 |
57 |
|
[CS]A:109 |
1 |
1 |
216 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
11 |
3 |
13337 |
75.6 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[CS]B:106 |
1 |
1 |
216 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
11 |
3 |
13169 |
72.8 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
74.2 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
59 |
|
[MG]A:118 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13337 |
69.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.016 |
30 |
60 |
|
[CS]D:101 |
1 |
1 |
216 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
10 |
3 |
13169 |
69.3 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
D |
9 |
3 |
13266 |
◊ |
[CS]B:102 |
-x+3,y-1/2,-z |
2_845 |
1 |
1 |
216 |
68.1 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
C |
9 |
3 |
13440 |
◊ |
[CS]A:105 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
216 |
66.7 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[CS]C:102 |
1 |
1 |
216 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
9 |
3 |
13337 |
65.6 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
67.4 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
64 |
|
C |
9 |
2 |
13440 |
f |
[CS]A:115 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
216 |
68.2 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.039 |
32 |
65 |
|
[CS]B:107 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
13440 |
66.3 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.036 |
33 |
66 |
|
[CS]B:103 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
13169 |
65.7 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
A |
12 |
3 |
13337 |
◊ |
[CS]A:108 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
216 |
64.5 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
65.1 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
68 |
|
[CS]A:115 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13337 |
61.6 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
69 |
|
[MG]B:112 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13169 |
58.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.021 |
36 |
70 |
|
[CS]A:104 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
13169 |
55.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
71 |
|
[MG]D:109 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
13266 |
50.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.021 |
38 |
72 |
|
[MG]C:106 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
13440 |
47.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.016 |
39 |
73 |
|
[MG]A:121 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
13337 |
46.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.015 |
74 |
|
[MG]B:111 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13169 |
44.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
45.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.015 |
40 |
75 |
|
[MG]A:122 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
13337 |
46.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.011 |
41 |
76 |
|
[MG]C:107 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
13440 |
44.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.016 |
77 |
|
[MG]D:108 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
13266 |
42.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
43.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.016 |
42 |
78 |
|
[CS]B:108 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
13169 |
44.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.042 |
79 |
|
[CS]A:101 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
13337 |
43.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.042 |
80 |
|
[CS]D:105 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
13266 |
40.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
42.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.042 |
43 |
81 |
|
[MG]A:123 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
13337 |
39.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.008 |
44 |
82 |
|
[CS]A:112 |
1 |
1 |
216 |
f |
[CS]A:104 |
x,y,z |
1_555 |
1 |
1 |
216 |
38.8 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.023 |
45 |
83 |
|
[MG]A:120 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
13337 |
38.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.009 |
46 |
84 |
|
[CS]A:107 |
1 |
1 |
216 |
f |
[CS]A:106 |
x,y,z |
1_555 |
1 |
1 |
216 |
37.3 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.022 |
47 |
85 |
|
[CS]B:105 |
1 |
1 |
216 |
f |
[CS]B:104 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.6 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.035 |
48 |
86 |
|
[MG]B:110 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
1 |
13169 |
35.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.024 |
87 |
|
[MG]D:107 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
1 |
13266 |
33.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.024 |
88 |
|
[MG]C:105 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
1 |
13440 |
33.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
34.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.024 |
49 |
89 |
|
[MG]A:123 |
1 |
1 |
98 |
f |
[GTP]A:1 |
x,y,z |
1_555 |
4 |
1 |
603 |
34.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.008 |
50 |
90 |
|
[MG]C:106 |
1 |
1 |
98 |
f |
[GTP]C:1 |
x,y,z |
1_555 |
4 |
1 |
591 |
34.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.012 |
51 |
91 |
|
A |
7 |
3 |
13337 |
f |
[MG]A:119 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
98 |
34.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.007 |
52 |
92 |
|
A |
3 |
2 |
13337 |
◊ |
[MG]A:120 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
98 |
33.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
93 |
|
[MG]A:119 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13337 |
33.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
94 |
|
[MG]C:105 |
1 |
1 |
98 |
f |
[CS]C:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.018 |
55 |
95 |
|
[MG]B:110 |
1 |
1 |
98 |
f |
[CS]B:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.018 |
56 |
96 |
|
[MG]D:107 |
1 |
1 |
98 |
f |
[CS]D:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
25.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.016 |
57 |
97 |
|
[CS]A:109 |
1 |
1 |
216 |
◊ |
[CS]A:108 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
216 |
24.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
98 |
|
[MG]A:122 |
1 |
1 |
98 |
f |
[CS]A:106 |
x,y,z |
1_555 |
1 |
1 |
216 |
24.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.010 |
59 |
99 |
|
D |
5 |
1 |
13266 |
◊ |
[MG]B:111 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
23.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.007 |
100 |
|
[MG]A:121 |
1 |
1 |
98 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
13440 |
20.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
21.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.007 |
60 |
101 |
|
[CS]B:106 |
1 |
1 |
216 |
◊ |
[CS]B:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
23.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
102 |
|
[MG]C:105 |
1 |
1 |
98 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
5 |
2 |
13337 |
23.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
103 |
|
[MG]D:107 |
1 |
1 |
98 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
3 |
2 |
13169 |
21.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
104 |
|
D |
3 |
2 |
13266 |
◊ |
[MG]B:110 |
-x+3,y-1/2,-z |
2_845 |
1 |
1 |
98 |
18.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
21.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
105 |
|
A |
4 |
2 |
13337 |
◊ |
[CS]A:115 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
216 |
18.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.007 |
63 |
106 |
|
B |
3 |
2 |
13169 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
2 |
13440 |
17.5 |
-1.9 |
0.351 |
0 |
0 |
0 |
0.000 |
64 |
107 |
|
[CS]B:101 |
1 |
1 |
216 |
f |
[GTP]B:1 |
x,y,z |
1_555 |
3 |
1 |
594 |
17.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.013 |
108 |
|
[CS]A:102 |
1 |
1 |
216 |
f |
[GTP]A:1 |
x,y,z |
1_555 |
3 |
1 |
603 |
17.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.013 |
109 |
|
[CS]D:102 |
1 |
1 |
216 |
f |
[GTP]D:1 |
x,y,z |
1_555 |
2 |
1 |
591 |
15.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.013 |
110 |
|
[CS]C:101 |
1 |
1 |
216 |
f |
[GTP]C:1 |
x,y,z |
1_555 |
3 |
1 |
591 |
13.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
16.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.013 |
65 |
111 |
|
[CS]A:112 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13169 |
17.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
112 |
|
D |
1 |
1 |
13266 |
◊ |
[CS]A:103 |
x,y-1,z |
1_545 |
1 |
1 |
216 |
7.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
113 |
|
C |
4 |
2 |
13440 |
◊ |
[CS]A:113 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
216 |
15.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
114 |
|
[CS]C:103 |
1 |
1 |
216 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
2 |
13337 |
10.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
13.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
115 |
|
C |
4 |
1 |
13440 |
◊ |
[MG]A:119 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
14.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.002 |
68 |
116 |
|
[GTP]D:1 |
4 |
1 |
591 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
1 |
1 |
13169 |
11.7 |
-0.6 |
0.333 |
0 |
0 |
0 |
0.000 |
117 |
|
[GTP]C:1 |
3 |
1 |
591 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
13337 |
8.7 |
-0.5 |
0.324 |
0 |
0 |
0 |
0.000 |
Average: |
10.2 |
-0.6 |
0.329 |
0 |
0 |
0 |
0.000 |
69 |
118 |
|
A |
1 |
1 |
13337 |
◊ |
[MG]A:122 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
98 |
10.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
119 |
|
[CS]A:114 |
1 |
1 |
216 |
f |
[CS]A:107 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
71 |
120 |
|
[MG]C:105 |
1 |
1 |
98 |
◊ |
[CS]A:111 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
216 |
2.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
|