| ## |
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 |
|
C |
119 |
23 |
17738 |
◊ |
B |
x,y,z |
1_555 |
101 |
16 |
12449 |
773.9 |
-6.6 |
0.994 |
13 |
0 |
0 |
0.027 |
2 |
|
F |
101 |
19 |
17820 |
◊ |
E |
x,y,z |
1_555 |
82 |
15 |
12657 |
625.3 |
-4.9 |
0.993 |
10 |
0 |
0 |
0.027 |
| Average: |
699.6 |
-5.7 |
0.994 |
12 |
0 |
0 |
0.027 |
| 2 |
3 |
|
C |
60 |
8 |
17738 |
◊ |
A |
x,y,z |
1_555 |
44 |
19 |
4133 |
481.4 |
-12.6 |
0.569 |
9 |
0 |
0 |
0.000 |
| 3 |
4 |
|
F |
62 |
8 |
17820 |
◊ |
D |
x,y,z |
1_555 |
44 |
18 |
4263 |
463.2 |
-11.9 |
0.632 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
49 |
14 |
12449 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
49 |
14 |
12449 |
401.0 |
-14.2 |
0.727 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
C |
44 |
4 |
17738 |
x |
C |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
46 |
10 |
17738 |
358.7 |
-4.7 |
0.932 |
4 |
0 |
0 |
0.000 |
| 6 |
7 |
|
F |
45 |
10 |
17820 |
x |
F |
x-1/2,-y+3/2,-z+1 |
8_466 |
45 |
5 |
17820 |
328.3 |
-4.9 |
0.917 |
4 |
0 |
0 |
0.000 |
| 7 |
8 |
|
E |
45 |
13 |
12657 |
◊ |
E |
x,-y+1,-z+1 |
4_566 |
45 |
13 |
12657 |
307.4 |
-11.5 |
0.792 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
D |
31 |
9 |
4263 |
◊ |
C |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
37 |
6 |
17738 |
280.5 |
-10.1 |
0.462 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
F |
36 |
8 |
17820 |
◊ |
E |
x,-y+1,-z+1 |
4_566 |
30 |
6 |
12657 |
275.7 |
-3.3 |
0.898 |
4 |
0 |
0 |
0.000 |
| 10 |
11 |
|
C |
33 |
7 |
17738 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
30 |
5 |
12449 |
263.1 |
-2.9 |
0.883 |
5 |
0 |
0 |
0.000 |
| 11 |
12 |
|
F |
31 |
5 |
17820 |
◊ |
E |
x-1/2,y+1/2,z |
5_455 |
25 |
4 |
12657 |
184.9 |
-2.1 |
0.905 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
27 |
4 |
17738 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
20 |
3 |
12449 |
127.1 |
1.6 |
0.950 |
0 |
0 |
0 |
0.000 |
| Average: |
156.0 |
-0.3 |
0.928 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[SR]C:203 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
17738 |
128.3 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.199 |
15 |
|
[SR]F:205 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
20 |
9 |
17820 |
124.3 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.199 |
| Average: |
126.3 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.199 |
| 13 |
16 |
|
[SR]C:205 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
22 |
6 |
17738 |
126.0 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
|
[SR]F:204 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
21 |
7 |
17820 |
118.9 |
-29.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
122.4 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[SR]C:211 |
1 |
1 |
206 |
◊ |
C |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
22 |
9 |
17738 |
125.2 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
|
[SR]F:219 |
1 |
1 |
206 |
◊ |
F |
x,y,z |
1_555 |
26 |
9 |
17820 |
111.3 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
|
F |
22 |
10 |
17820 |
◊ |
[SR]F:201 |
x-1/2,-y+3/2,-z+1 |
8_466 |
1 |
1 |
206 |
103.7 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
113.4 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[SR]C:215 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
23 |
7 |
17738 |
124.0 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
|
[SR]F:212 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
23 |
8 |
17820 |
122.6 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
123.3 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
B |
17 |
4 |
12449 |
◊ |
C |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
17 |
5 |
17738 |
122.0 |
-4.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[SR]C:204 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
17738 |
121.6 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[SR]F:208 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
17 |
7 |
17820 |
117.7 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
119.7 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[SR]E:111 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
12657 |
121.1 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.092 |
| 19 |
27 |
|
[SR]C:207 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
17738 |
117.9 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.136 |
| 20 |
28 |
|
[SR]E:113 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
16 |
4 |
12657 |
117.1 |
-29.1 |
0.000 |
0 |
0 |
0 |
0.080 |
| 21 |
29 |
|
[SR]C:213 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
17738 |
114.3 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.178 |
30 |
|
[SR]F:209 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
13 |
4 |
17820 |
106.5 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.178 |
| Average: |
110.4 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.178 |
| 22 |
31 |
|
[SR]F:211 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
20 |
7 |
17820 |
113.9 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.172 |
| 23 |
32 |
|
[SR]E:103 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
20 |
8 |
12657 |
113.9 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.127 |
33 |
|
[SR]B:112 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12449 |
111.7 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.127 |
| Average: |
112.8 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.127 |
| 24 |
34 |
|
[SR]B:121 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
12449 |
110.2 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.115 |
| 25 |
35 |
|
[SR]E:108 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
12657 |
109.4 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[SR]B:107 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
12449 |
109.0 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.108 |
| 27 |
37 |
|
[SR]B:102 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
12449 |
108.7 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.113 |
38 |
|
[SR]E:101 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
22 |
8 |
12657 |
102.3 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
105.5 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.113 |
| 28 |
39 |
|
[SR]C:217 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
17738 |
108.5 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.162 |
40 |
|
[SR]F:217 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
16 |
9 |
17820 |
96.3 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.162 |
| Average: |
102.4 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.162 |
| 29 |
41 |
|
[SR]E:102 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
22 |
8 |
12657 |
108.3 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[SR]B:111 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
12449 |
98.3 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
103.3 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
43 |
|
[SR]F:203 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
17 |
7 |
17820 |
107.5 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[SR]C:214 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
17738 |
102.2 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
104.9 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
45 |
|
[SR]F:210 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
17820 |
106.6 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[SR]C:216 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
17738 |
102.6 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
104.6 |
-29.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
47 |
|
[SR]B:116 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12449 |
104.7 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.127 |
| 33 |
48 |
|
[SR]F:216 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
17820 |
102.7 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[SR]C:206 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
17738 |
95.3 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
99.0 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
50 |
|
[SR]F:207 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
15 |
5 |
17820 |
102.4 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[SR]C:208 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
17738 |
95.9 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
99.2 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
52 |
|
[SR]B:123 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
12449 |
102.3 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.113 |
| 36 |
53 |
|
[SR]E:110 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
12657 |
102.0 |
-28.7 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[SR]B:109 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
12449 |
96.2 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
99.1 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
55 |
|
[SR]E:109 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
12657 |
101.0 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.081 |
| 38 |
56 |
|
[SR]E:106 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
12657 |
99.3 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[SR]B:113 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
12449 |
89.0 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
94.1 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
58 |
|
[SR]F:206 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
17820 |
98.8 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
[SR]C:201 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
17738 |
96.6 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
97.7 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
60 |
|
[SR]C:222 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
17738 |
98.3 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.132 |
61 |
|
[SR]F:215 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
12 |
3 |
17820 |
83.7 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
91.0 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.132 |
| 41 |
62 |
|
[SR]B:115 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12449 |
98.3 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
63 |
|
[SR]B:110 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
12449 |
96.9 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.099 |
| 43 |
64 |
|
[SR]E:112 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
12657 |
95.2 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
65 |
|
[SR]E:115 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
13 |
3 |
12657 |
94.5 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.097 |
66 |
|
[SR]B:105 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
12449 |
85.4 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
90.0 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.097 |
| 45 |
67 |
|
[SR]E:105 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
12657 |
93.9 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[SR]B:106 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
12449 |
86.5 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
90.2 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
69 |
|
[SR]F:218 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
12 |
3 |
17820 |
93.7 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
70 |
|
[SR]C:210 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
17738 |
93.6 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.122 |
| 48 |
71 |
|
[SR]B:103 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
12449 |
93.2 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
72 |
|
[SR]B:120 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12449 |
92.9 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
73 |
|
[SR]B:122 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
12449 |
91.3 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
|
[SR]E:114 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
12657 |
82.0 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
86.7 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
75 |
|
[SR]B:117 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12449 |
90.9 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
76 |
|
[SR]B:108 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12449 |
90.4 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
77 |
|
[SR]B:119 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
15 |
3 |
12449 |
90.1 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.093 |
| 54 |
78 |
|
[SR]C:219 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
17738 |
89.4 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.115 |
| 55 |
79 |
|
[SR]F:213 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
17820 |
88.1 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.000 |
80 |
|
[SR]C:209 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
17738 |
77.7 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
82.9 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 56 |
81 |
|
[SR]C:221 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
18 |
3 |
17738 |
87.8 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 57 |
82 |
|
[SR]B:101 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12449 |
87.2 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
|
[SR]E:104 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
12657 |
84.3 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
85.7 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 58 |
84 |
|
[SR]C:218 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
17738 |
87.0 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
85 |
|
[SR]B:104 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
12449 |
87.0 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
|
[SR]E:107 |
1 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
12657 |
84.5 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
85.7 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
87 |
|
[SR]B:114 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12449 |
86.9 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 61 |
88 |
|
C |
11 |
3 |
17738 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
8_466 |
8 |
4 |
4263 |
80.2 |
-2.5 |
0.427 |
0 |
0 |
0 |
0.000 |
| 62 |
89 |
|
[SR]C:202 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
17738 |
77.9 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.000 |
90 |
|
[SR]F:202 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
17820 |
71.6 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.000 |
91 |
|
[SR]F:214 |
1 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
17820 |
49.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
66.2 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 63 |
92 |
|
E |
9 |
2 |
12657 |
◊ |
C |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
12 |
4 |
17738 |
74.6 |
-3.0 |
0.559 |
1 |
0 |
0 |
0.000 |
| 64 |
93 |
|
[SR]B:118 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
12449 |
70.0 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 65 |
94 |
|
[SR]C:212 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
17738 |
67.2 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 66 |
95 |
|
[SR]B:114 |
1 |
1 |
206 |
f |
[SR]B:104 |
x,y,z |
1_555 |
1 |
1 |
206 |
57.8 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 67 |
96 |
|
[SR]C:211 |
1 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
17738 |
56.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.000 |
97 |
|
[SR]F:201 |
1 |
1 |
206 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
17820 |
47.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.000 |
98 |
|
[SR]F:219 |
1 |
1 |
206 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
8_466 |
5 |
1 |
17820 |
40.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
48.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 68 |
99 |
|
[MG]E:116 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
12657 |
53.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| 69 |
100 |
|
[SR]B:122 |
1 |
1 |
206 |
◊ |
[SR]B:122 |
-x+1,y,-z+3/2 |
3_656 |
1 |
1 |
206 |
53.1 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 70 |
101 |
|
[SR]B:110 |
1 |
1 |
206 |
f |
[SR]B:108 |
x,y,z |
1_555 |
1 |
1 |
206 |
52.0 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 71 |
102 |
|
[SR]F:209 |
1 |
1 |
206 |
f |
[SR]F:203 |
x,y,z |
1_555 |
1 |
1 |
206 |
49.9 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 72 |
103 |
|
[SR]F:219 |
1 |
1 |
206 |
f |
[SR]F:201 |
x-1/2,-y+3/2,-z+1 |
8_466 |
1 |
1 |
206 |
48.4 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 73 |
104 |
|
[SR]B:105 |
1 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
17738 |
48.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.025 |
105 |
|
[SR]E:115 |
1 |
1 |
206 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
17820 |
35.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
41.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.025 |
| 74 |
106 |
|
[SR]B:115 |
1 |
1 |
206 |
f |
[SR]B:109 |
x,y,z |
1_555 |
1 |
1 |
206 |
47.7 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.047 |
| 75 |
107 |
|
[SR]B:123 |
1 |
1 |
206 |
f |
[SR]B:120 |
x,y,z |
1_555 |
1 |
1 |
206 |
45.7 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 76 |
108 |
|
[MG]F:221 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
17820 |
45.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.037 |
| 77 |
109 |
|
[SR]C:220 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
17738 |
44.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 78 |
110 |
|
[SR]C:212 |
1 |
1 |
206 |
◊ |
F |
-x+1,y,-z+3/2 |
3_656 |
6 |
2 |
17820 |
42.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.061 |
| 79 |
111 |
|
[MG]C:225 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
17738 |
41.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.027 |
| 80 |
112 |
|
[SR]C:214 |
1 |
1 |
206 |
f |
[SR]C:213 |
x,y,z |
1_555 |
1 |
1 |
206 |
40.2 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 81 |
113 |
|
[SR]B:109 |
1 |
1 |
206 |
f |
[SR]B:106 |
x,y,z |
1_555 |
1 |
1 |
206 |
36.2 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.036 |
| 82 |
114 |
|
[SR]B:110 |
1 |
1 |
206 |
f |
[SR]B:106 |
x,y,z |
1_555 |
1 |
1 |
206 |
35.8 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 83 |
115 |
|
[SR]E:114 |
1 |
1 |
206 |
◊ |
E |
x,-y+1,-z+1 |
4_566 |
8 |
3 |
12657 |
35.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.000 |
116 |
|
[SR]B:122 |
1 |
1 |
206 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
5 |
3 |
12449 |
28.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
32.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 84 |
117 |
|
[MG]F:220 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
5 |
17820 |
35.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 85 |
118 |
|
E |
7 |
4 |
12657 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
3 |
3 |
4133 |
35.4 |
-1.7 |
0.495 |
0 |
0 |
0 |
0.000 |
| 86 |
119 |
|
[SR]E:114 |
1 |
1 |
206 |
◊ |
[SR]E:114 |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
206 |
35.1 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 87 |
120 |
|
[SR]B:118 |
1 |
1 |
206 |
f |
[SR]B:117 |
x,y,z |
1_555 |
1 |
1 |
206 |
34.7 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 88 |
121 |
|
[MG]C:224 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
17738 |
33.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 89 |
122 |
|
[SR]E:114 |
1 |
1 |
206 |
f |
[SR]E:111 |
x,y,z |
1_555 |
1 |
1 |
206 |
32.9 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 90 |
123 |
|
F |
4 |
3 |
17820 |
◊ |
C |
x,-y+2,-z+1 |
4_576 |
7 |
3 |
17738 |
32.8 |
-3.1 |
0.356 |
0 |
0 |
0 |
0.000 |
| 91 |
124 |
|
F |
5 |
2 |
17820 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
2 |
1 |
4133 |
31.3 |
-1.1 |
0.319 |
0 |
0 |
0 |
0.000 |
| 92 |
125 |
|
[SR]F:214 |
1 |
1 |
206 |
f |
[SR]F:202 |
x,y,z |
1_555 |
1 |
1 |
206 |
30.8 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| 93 |
126 |
|
[SR]E:110 |
1 |
1 |
206 |
f |
[SR]E:105 |
x,y,z |
1_555 |
1 |
1 |
206 |
30.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 94 |
127 |
|
[SR]E:109 |
1 |
1 |
206 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
17820 |
29.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 95 |
128 |
|
F |
6 |
2 |
17820 |
◊ |
[SR]E:104 |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
206 |
28.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.000 |
129 |
|
C |
4 |
1 |
17738 |
◊ |
[SR]B:101 |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
206 |
13.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
21.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 96 |
130 |
|
[SR]C:218 |
1 |
1 |
206 |
f |
[SR]C:202 |
x,y,z |
1_555 |
1 |
1 |
206 |
26.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.100 |
| 97 |
131 |
|
[SR]E:112 |
1 |
1 |
206 |
f |
[SR]E:108 |
x,y,z |
1_555 |
1 |
1 |
206 |
26.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.100 |
| 98 |
132 |
|
F |
4 |
1 |
17820 |
◊ |
A |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
2 |
1 |
4133 |
25.8 |
-1.3 |
0.329 |
0 |
0 |
0 |
0.000 |
| 99 |
133 |
|
[SR]C:205 |
1 |
1 |
206 |
f |
[SR]C:201 |
x,y,z |
1_555 |
1 |
1 |
206 |
25.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 100 |
134 |
|
F |
7 |
4 |
17820 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
8_466 |
5 |
4 |
12657 |
24.8 |
-2.2 |
0.512 |
0 |
0 |
0 |
0.000 |
| 101 |
135 |
|
[SR]F:215 |
1 |
1 |
206 |
f |
[SR]F:211 |
x,y,z |
1_555 |
1 |
1 |
206 |
24.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.059 |
| 102 |
136 |
|
[MG]E:117 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
12657 |
24.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 103 |
137 |
|
F |
7 |
4 |
17820 |
◊ |
C |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
6 |
3 |
17738 |
23.0 |
-1.0 |
0.652 |
0 |
0 |
0 |
0.000 |
| 104 |
138 |
|
[SR]C:202 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4133 |
22.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
139 |
|
[SR]F:202 |
1 |
1 |
206 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
4263 |
8.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
15.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 105 |
140 |
|
[SR]C:219 |
1 |
1 |
206 |
f |
[SR]C:218 |
x,y,z |
1_555 |
1 |
1 |
206 |
22.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 106 |
141 |
|
D |
4 |
3 |
4263 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
4 |
3 |
4263 |
19.4 |
-0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
| 107 |
142 |
|
[SR]B:115 |
1 |
1 |
206 |
f |
[SR]B:106 |
x,y,z |
1_555 |
1 |
1 |
206 |
17.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.017 |
| 108 |
143 |
|
[MG]E:117 |
1 |
1 |
98 |
◊ |
C |
-x+1,y,-z+3/2 |
3_656 |
3 |
1 |
17738 |
17.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 109 |
144 |
|
[SR]B:108 |
1 |
1 |
206 |
f |
[SR]B:106 |
x,y,z |
1_555 |
1 |
1 |
206 |
17.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 110 |
145 |
|
[MG]C:223 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
17738 |
14.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 111 |
146 |
|
[SR]E:112 |
1 |
1 |
206 |
◊ |
C |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
2 |
1 |
17738 |
13.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 112 |
147 |
|
[SR]F:207 |
1 |
1 |
206 |
f |
[SR]F:203 |
x,y,z |
1_555 |
1 |
1 |
206 |
13.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 113 |
148 |
|
[SR]C:204 |
1 |
1 |
206 |
f |
[SR]C:203 |
x,y,z |
1_555 |
1 |
1 |
206 |
12.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 114 |
149 |
|
[SR]F:201 |
1 |
1 |
206 |
◊ |
E |
x,-y+1,-z+1 |
4_566 |
2 |
1 |
12657 |
11.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
150 |
|
[SR]C:211 |
1 |
1 |
206 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
3 |
1 |
12449 |
11.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
151 |
|
[SR]F:219 |
1 |
1 |
206 |
◊ |
E |
x-1/2,y+1/2,z |
5_455 |
2 |
1 |
12657 |
4.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
9.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 115 |
152 |
|
[MG]C:224 |
1 |
1 |
98 |
f |
[MG]C:223 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 116 |
153 |
|
[SR]F:213 |
1 |
1 |
206 |
f |
[SR]F:212 |
x,y,z |
1_555 |
1 |
1 |
206 |
11.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 117 |
154 |
|
[SR]E:106 |
1 |
1 |
206 |
f |
[SR]E:102 |
x,y,z |
1_555 |
1 |
1 |
206 |
10.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| 118 |
155 |
|
[SR]F:208 |
1 |
1 |
206 |
f |
[SR]F:205 |
x,y,z |
1_555 |
1 |
1 |
206 |
10.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 119 |
156 |
|
[SR]C:214 |
1 |
1 |
206 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
8_466 |
2 |
1 |
4263 |
10.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 120 |
157 |
|
D |
3 |
1 |
4263 |
◊ |
[SR]C:221 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
1 |
1 |
206 |
10.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 121 |
158 |
|
F |
2 |
1 |
17820 |
◊ |
[MG]C:223 |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
1 |
1 |
98 |
8.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 122 |
159 |
|
[SR]E:111 |
1 |
1 |
206 |
◊ |
E |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
12657 |
7.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 123 |
160 |
|
E |
1 |
1 |
12657 |
◊ |
[MG]C:223 |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
1 |
1 |
98 |
6.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 124 |
161 |
|
[SR]B:119 |
1 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17738 |
6.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 125 |
162 |
|
[SR]C:212 |
1 |
1 |
206 |
◊ |
[SR]B:121 |
-x+1,y,-z+3/2 |
3_656 |
1 |
1 |
206 |
6.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 126 |
163 |
|
[SR]E:114 |
1 |
1 |
206 |
◊ |
[SR]E:111 |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
206 |
6.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 127 |
164 |
|
[SR]E:111 |
1 |
1 |
206 |
◊ |
[SR]E:111 |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
206 |
5.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 128 |
165 |
|
B |
2 |
2 |
12449 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
8_466 |
1 |
1 |
17820 |
5.5 |
-0.6 |
0.304 |
0 |
0 |
0 |
0.000 |
| 129 |
166 |
|
[SR]F:206 |
1 |
1 |
206 |
f |
[SR]F:204 |
x,y,z |
1_555 |
1 |
1 |
206 |
2.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 130 |
167 |
|
[MG]C:225 |
1 |
1 |
98 |
f |
[SR]C:210 |
x,y,z |
1_555 |
1 |
1 |
206 |
1.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
| 131 |
168 |
|
[SR]F:219 |
1 |
1 |
206 |
◊ |
[SR]F:203 |
x,y,z |
1_555 |
1 |
1 |
206 |
1.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 132 |
169 |
|
[SR]B:117 |
1 |
1 |
206 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
1 |
1 |
12449 |
1.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 133 |
170 |
|
[SR]B:115 |
1 |
1 |
206 |
f |
[SR]B:110 |
x,y,z |
1_555 |
1 |
1 |
206 |
1.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 134 |
171 |
|
[SR]F:218 |
1 |
1 |
206 |
f |
[SR]F:217 |
x,y,z |
1_555 |
1 |
1 |
206 |
0.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|