| ## |
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 |
|
G |
383 |
110 |
29340 |
◊ |
A |
x,y,z |
1_555 |
386 |
109 |
29322 |
3637.2 |
-26.0 |
0.228 |
60 |
28 |
0 |
0.140 |
| 2 |
2 |
|
L |
367 |
104 |
17256 |
◊ |
K |
x,y,z |
1_555 |
349 |
86 |
16313 |
3577.3 |
-36.2 |
0.026 |
50 |
22 |
0 |
0.388 |
3 |
|
F |
357 |
99 |
17397 |
◊ |
E |
x,y,z |
1_555 |
343 |
86 |
16370 |
3461.8 |
-37.4 |
0.018 |
48 |
19 |
0 |
0.388 |
| Average: |
3519.5 |
-36.8 |
0.022 |
49 |
21 |
0 |
0.388 |
| 3 |
4 |
|
C |
285 |
73 |
11431 |
◊ |
B |
x,y,z |
1_555 |
300 |
81 |
12771 |
2873.4 |
-31.9 |
0.031 |
38 |
17 |
0 |
0.328 |
5 |
|
I |
275 |
70 |
11067 |
◊ |
H |
x,y,z |
1_555 |
289 |
80 |
12949 |
2833.5 |
-31.3 |
0.025 |
34 |
16 |
0 |
0.328 |
| Average: |
2853.4 |
-31.6 |
0.028 |
36 |
17 |
0 |
0.328 |
| 4 |
6 |
|
D |
234 |
55 |
7599 |
◊ |
A |
x,y,z |
1_555 |
240 |
63 |
29322 |
2199.9 |
-18.2 |
0.165 |
25 |
12 |
0 |
0.146 |
7 |
|
J |
232 |
54 |
7567 |
◊ |
G |
x,y,z |
1_555 |
237 |
63 |
29340 |
2169.1 |
-18.1 |
0.161 |
24 |
13 |
0 |
0.146 |
| Average: |
2184.5 |
-18.2 |
0.163 |
25 |
13 |
0 |
0.146 |
| 5 |
8 |
|
K |
148 |
40 |
16313 |
◊ |
J |
x,y,z |
1_555 |
149 |
32 |
7567 |
1450.8 |
-19.6 |
0.072 |
23 |
8 |
0 |
0.092 |
9 |
|
E |
141 |
39 |
16370 |
◊ |
D |
x,y,z |
1_555 |
147 |
31 |
7599 |
1440.1 |
-20.3 |
0.056 |
20 |
6 |
0 |
0.092 |
| Average: |
1445.4 |
-19.9 |
0.064 |
22 |
7 |
0 |
0.092 |
| 6 |
10 |
|
K |
106 |
28 |
16313 |
◊ |
G |
x,y,z |
1_555 |
102 |
28 |
29340 |
974.1 |
-7.2 |
0.316 |
13 |
4 |
0 |
0.043 |
11 |
|
E |
106 |
28 |
16370 |
◊ |
A |
x,y,z |
1_555 |
101 |
28 |
29322 |
967.3 |
-7.6 |
0.314 |
13 |
5 |
0 |
0.043 |
| Average: |
970.7 |
-7.4 |
0.315 |
13 |
5 |
0 |
0.043 |
| 7 |
12 |
|
I |
90 |
23 |
11067 |
◊ |
G |
x,y,z |
1_555 |
92 |
24 |
29340 |
860.3 |
-8.3 |
0.247 |
13 |
5 |
0 |
0.032 |
13 |
|
C |
93 |
24 |
11431 |
◊ |
A |
x,y,z |
1_555 |
94 |
25 |
29322 |
856.1 |
-8.8 |
0.239 |
9 |
4 |
0 |
0.032 |
| Average: |
858.2 |
-8.6 |
0.243 |
11 |
5 |
0 |
0.032 |
| 8 |
14 |
|
I |
90 |
21 |
11067 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
29322 |
801.9 |
2.2 |
0.827 |
19 |
10 |
0 |
0.018 |
15 |
|
C |
93 |
21 |
11431 |
◊ |
G |
x,y,z |
1_555 |
87 |
23 |
29340 |
799.1 |
0.8 |
0.757 |
17 |
8 |
0 |
0.018 |
| Average: |
800.5 |
1.5 |
0.792 |
18 |
9 |
0 |
0.018 |
| 9 |
16 |
|
[FAD]A:701 |
53 |
1 |
1005 |
f |
A |
x,y,z |
1_555 |
114 |
47 |
29322 |
730.8 |
-10.0 |
0.395 |
16 |
0 |
0 |
0.088 |
17 |
|
[FAD]G:701 |
51 |
1 |
1007 |
f |
G |
x,y,z |
1_555 |
115 |
48 |
29340 |
728.0 |
-10.6 |
0.376 |
18 |
0 |
0 |
0.088 |
| Average: |
729.4 |
-10.3 |
0.386 |
17 |
0 |
0 |
0.088 |
| 10 |
18 |
|
F |
51 |
15 |
17397 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
50 |
13 |
29322 |
445.2 |
5.9 |
0.937 |
5 |
7 |
0 |
0.000 |
| 11 |
19 |
|
F |
34 |
14 |
17397 |
◊ |
L |
x-1/2,y+1/2,z |
3_455 |
41 |
9 |
17256 |
319.3 |
2.9 |
0.826 |
4 |
6 |
0 |
0.000 |
| 12 |
20 |
|
G |
30 |
11 |
29340 |
◊ |
B |
x,y-1,z |
1_545 |
23 |
8 |
12771 |
279.1 |
3.4 |
0.848 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
L |
35 |
10 |
17256 |
◊ |
C |
-x+1,y,-z |
2_655 |
28 |
11 |
11431 |
249.7 |
1.4 |
0.738 |
3 |
0 |
0 |
0.000 |
| 14 |
22 |
|
B |
18 |
5 |
12771 |
◊ |
G |
x,y,z |
1_555 |
24 |
9 |
29340 |
223.7 |
2.0 |
0.814 |
4 |
6 |
0 |
0.001 |
23 |
|
H |
18 |
5 |
12949 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
29322 |
223.5 |
2.2 |
0.827 |
4 |
7 |
0 |
0.001 |
| Average: |
223.6 |
2.1 |
0.821 |
4 |
7 |
0 |
0.001 |
| 15 |
24 |
|
L |
27 |
9 |
17256 |
◊ |
A |
-x+1,y,-z |
2_655 |
19 |
5 |
29322 |
195.6 |
3.1 |
0.891 |
0 |
1 |
0 |
0.000 |
| 16 |
25 |
|
[9S8]H:301 |
8 |
1 |
326 |
f |
H |
x,y,z |
1_555 |
25 |
14 |
12949 |
189.1 |
-23.7 |
0.254 |
0 |
0 |
0 |
0.149 |
26 |
|
[9S8]B:302 |
8 |
1 |
329 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
12771 |
182.9 |
-22.6 |
0.265 |
0 |
0 |
0 |
0.149 |
| Average: |
186.0 |
-23.1 |
0.260 |
0 |
0 |
0 |
0.149 |
| 17 |
27 |
|
E |
24 |
9 |
16370 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
22 |
7 |
11067 |
187.0 |
0.7 |
0.723 |
4 |
2 |
0 |
0.000 |
| 18 |
28 |
|
[SF4]A:706 |
8 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
27 |
15 |
29322 |
186.6 |
-24.0 |
0.321 |
0 |
0 |
0 |
0.112 |
| 19 |
29 |
|
D |
16 |
4 |
7599 |
◊ |
G |
x,y,z |
1_555 |
27 |
9 |
29340 |
186.1 |
1.7 |
0.833 |
3 |
0 |
0 |
0.000 |
30 |
|
J |
17 |
5 |
7567 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
29322 |
184.2 |
1.4 |
0.813 |
3 |
1 |
0 |
0.000 |
| Average: |
185.1 |
1.6 |
0.823 |
3 |
1 |
0 |
0.000 |
| 20 |
31 |
|
[SF4]G:709 |
8 |
1 |
298 |
f |
G |
x,y,z |
1_555 |
25 |
13 |
29340 |
185.9 |
-24.6 |
0.262 |
0 |
0 |
0 |
0.110 |
| 21 |
32 |
|
[9S8]H:302 |
8 |
1 |
326 |
f |
H |
x,y,z |
1_555 |
27 |
13 |
12949 |
183.2 |
-23.2 |
0.244 |
2 |
0 |
0 |
0.152 |
33 |
|
[9S8]B:301 |
8 |
1 |
329 |
f |
B |
x,y,z |
1_555 |
27 |
13 |
12771 |
171.4 |
-22.0 |
0.275 |
2 |
0 |
0 |
0.152 |
| Average: |
177.3 |
-22.6 |
0.260 |
2 |
0 |
0 |
0.152 |
| 22 |
34 |
|
[SF4]E:302 |
8 |
1 |
295 |
f |
E |
x,y,z |
1_555 |
29 |
12 |
16370 |
179.6 |
-22.1 |
0.376 |
0 |
0 |
0 |
0.135 |
| 23 |
35 |
|
[SF4]K:303 |
8 |
1 |
298 |
f |
K |
x,y,z |
1_555 |
28 |
12 |
16313 |
179.5 |
-22.6 |
0.404 |
0 |
0 |
0 |
0.142 |
| 24 |
36 |
|
[SF4]G:710 |
8 |
1 |
298 |
f |
G |
x,y,z |
1_555 |
32 |
17 |
29340 |
179.5 |
-22.0 |
0.381 |
0 |
0 |
0 |
0.098 |
| 25 |
37 |
|
[SF4]A:710 |
8 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
30 |
17 |
29322 |
179.5 |
-22.1 |
0.271 |
0 |
0 |
0 |
0.104 |
| 26 |
38 |
|
[SF4]A:707 |
8 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
29322 |
178.5 |
-23.4 |
0.365 |
0 |
0 |
0 |
0.110 |
| 27 |
39 |
|
[SF4]G:707 |
8 |
1 |
296 |
f |
G |
x,y,z |
1_555 |
25 |
13 |
29340 |
177.9 |
-24.2 |
0.312 |
0 |
0 |
0 |
0.108 |
| 28 |
40 |
|
[SF4]C:202 |
8 |
1 |
298 |
f |
C |
x,y,z |
1_555 |
27 |
15 |
11431 |
175.7 |
-22.6 |
0.444 |
2 |
0 |
0 |
0.150 |
| 29 |
41 |
|
[SF4]I:203 |
8 |
1 |
294 |
f |
I |
x,y,z |
1_555 |
28 |
15 |
11067 |
175.7 |
-22.2 |
0.398 |
0 |
0 |
0 |
0.140 |
| 30 |
42 |
|
[SF4]I:202 |
8 |
1 |
296 |
f |
I |
x,y,z |
1_555 |
25 |
14 |
11067 |
175.1 |
-22.5 |
0.431 |
2 |
0 |
0 |
0.147 |
| 31 |
43 |
|
F |
22 |
10 |
17397 |
◊ |
L |
x-1/2,y-1/2,z |
3_445 |
18 |
7 |
17256 |
175.0 |
3.2 |
0.867 |
2 |
3 |
0 |
0.000 |
| 32 |
44 |
|
[SF4]C:201 |
8 |
1 |
298 |
f |
C |
x,y,z |
1_555 |
27 |
15 |
11431 |
174.7 |
-22.3 |
0.389 |
0 |
0 |
0 |
0.143 |
| 33 |
45 |
|
[SF4]G:708 |
8 |
1 |
298 |
f |
G |
x,y,z |
1_555 |
24 |
11 |
29340 |
169.8 |
-21.6 |
0.341 |
2 |
0 |
0 |
0.100 |
| 34 |
46 |
|
[SF4]A:709 |
8 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
29322 |
167.5 |
-20.9 |
0.362 |
0 |
0 |
0 |
0.098 |
| 35 |
47 |
|
[SF4]E:303 |
8 |
1 |
295 |
f |
E |
x,y,z |
1_555 |
19 |
11 |
16370 |
166.4 |
-20.4 |
0.142 |
0 |
0 |
0 |
0.124 |
| 36 |
48 |
|
[SF4]K:302 |
8 |
1 |
298 |
f |
K |
x,y,z |
1_555 |
22 |
12 |
16313 |
166.3 |
-20.6 |
0.173 |
0 |
0 |
0 |
0.129 |
| 37 |
49 |
|
[SF4]A:708 |
8 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
29322 |
165.7 |
-20.8 |
0.375 |
3 |
0 |
0 |
0.104 |
| 38 |
50 |
|
[SF4]G:705 |
8 |
1 |
298 |
f |
G |
x,y,z |
1_555 |
26 |
14 |
29340 |
164.3 |
-20.7 |
0.401 |
0 |
0 |
0 |
0.092 |
| 39 |
51 |
|
I |
17 |
5 |
11067 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
11431 |
164.1 |
-1.0 |
0.494 |
0 |
0 |
0 |
0.001 |
| 40 |
52 |
|
[TRS]D:202 |
7 |
1 |
256 |
◊ |
D |
x,y,z |
1_555 |
24 |
11 |
7599 |
162.4 |
3.7 |
0.107 |
8 |
0 |
0 |
0.000 |
| 41 |
53 |
|
[SF4]E:301 |
8 |
1 |
296 |
f |
E |
x,y,z |
1_555 |
31 |
13 |
16370 |
162.3 |
-19.2 |
0.254 |
1 |
0 |
0 |
0.120 |
| 42 |
54 |
|
[SF4]K:301 |
8 |
1 |
297 |
f |
K |
x,y,z |
1_555 |
30 |
13 |
16313 |
161.1 |
-19.3 |
0.242 |
1 |
0 |
0 |
0.124 |
| 43 |
55 |
|
[NFU]L:502 |
8 |
1 |
300 |
f |
L |
x,y,z |
1_555 |
14 |
10 |
17256 |
158.4 |
-6.2 |
0.226 |
0 |
0 |
0 |
0.039 |
56 |
|
[NFU]F:504 |
8 |
1 |
300 |
f |
F |
x,y,z |
1_555 |
14 |
10 |
17397 |
157.7 |
-6.3 |
0.248 |
0 |
0 |
0 |
0.039 |
| Average: |
158.1 |
-6.3 |
0.237 |
0 |
0 |
0 |
0.039 |
| 44 |
57 |
|
E |
19 |
9 |
16370 |
◊ |
H |
-x+1/2,y-1/2,-z |
4_545 |
24 |
6 |
12949 |
156.3 |
0.7 |
0.689 |
3 |
0 |
0 |
0.000 |
| 45 |
58 |
|
[SF4]G:706 |
8 |
1 |
300 |
f |
G |
x,y,z |
1_555 |
23 |
12 |
29340 |
152.8 |
-18.4 |
0.320 |
0 |
0 |
0 |
0.082 |
| 46 |
59 |
|
[SF4]A:705 |
8 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
29322 |
152.0 |
-18.1 |
0.322 |
0 |
0 |
0 |
0.085 |
| 47 |
60 |
|
[GOL]G:713 |
6 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
27 |
9 |
29340 |
148.9 |
-1.2 |
0.440 |
3 |
0 |
0 |
0.011 |
| 48 |
61 |
|
L |
20 |
9 |
17256 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
17 |
8 |
29322 |
145.0 |
2.2 |
0.855 |
1 |
2 |
0 |
0.000 |
| 49 |
62 |
|
F |
18 |
8 |
17397 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
16 |
4 |
11431 |
144.1 |
-0.8 |
0.489 |
1 |
0 |
0 |
0.000 |
| 50 |
63 |
|
E |
14 |
4 |
16370 |
◊ |
L |
x-1/2,y+1/2,z |
3_455 |
20 |
8 |
17256 |
142.8 |
2.2 |
0.864 |
4 |
3 |
0 |
0.000 |
| 51 |
64 |
|
[GOL]G:714 |
6 |
1 |
220 |
f |
G |
x,y,z |
1_555 |
28 |
11 |
29340 |
141.8 |
0.1 |
0.655 |
7 |
0 |
0 |
0.013 |
| 52 |
65 |
|
[GOL]C:203 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
11431 |
140.0 |
-0.4 |
0.532 |
3 |
0 |
0 |
0.011 |
| 53 |
66 |
|
[GOL]A:714 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
29322 |
139.0 |
0.1 |
0.647 |
8 |
0 |
0 |
0.016 |
| 54 |
67 |
|
[GOL]B:304 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
26 |
12 |
12771 |
139.0 |
-1.5 |
0.375 |
1 |
0 |
0 |
0.012 |
| 55 |
68 |
|
[GOL]K:304 |
6 |
1 |
219 |
f |
K |
x,y,z |
1_555 |
22 |
9 |
16313 |
125.8 |
0.7 |
0.680 |
5 |
0 |
0 |
0.010 |
| 56 |
69 |
|
[GOL]E:304 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
22 |
9 |
16370 |
124.7 |
-1.2 |
0.437 |
2 |
0 |
0 |
0.013 |
| 57 |
70 |
|
[FES]J:201 |
4 |
1 |
237 |
f |
J |
x,y,z |
1_555 |
17 |
10 |
7567 |
123.7 |
-16.8 |
0.601 |
2 |
0 |
0 |
0.100 |
| 58 |
71 |
|
[FES]D:201 |
4 |
1 |
238 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
7599 |
123.1 |
-16.7 |
0.608 |
1 |
0 |
0 |
0.096 |
| 59 |
72 |
|
[GOL]K:306 |
6 |
1 |
221 |
f |
K |
x,y,z |
1_555 |
17 |
9 |
16313 |
122.6 |
-1.6 |
0.321 |
2 |
0 |
0 |
0.016 |
| 60 |
73 |
|
[GOL]A:712 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
29322 |
120.7 |
0.3 |
0.633 |
4 |
0 |
0 |
0.007 |
| 61 |
74 |
|
[PE3]A:704 |
8 |
1 |
367 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
29322 |
116.3 |
3.0 |
0.518 |
0 |
0 |
0 |
0.000 |
| 62 |
75 |
|
[GOL]K:305 |
6 |
1 |
221 |
f |
K |
x,y,z |
1_555 |
20 |
8 |
16313 |
116.1 |
-1.5 |
0.399 |
0 |
0 |
0 |
0.009 |
| 63 |
76 |
|
[GOL]G:712 |
6 |
1 |
220 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
29340 |
113.5 |
-0.1 |
0.600 |
3 |
0 |
0 |
0.007 |
| 64 |
77 |
|
A |
14 |
4 |
29322 |
◊ |
B |
x,y-1,z |
1_545 |
14 |
5 |
12771 |
113.5 |
-1.2 |
0.423 |
0 |
0 |
0 |
0.000 |
| 65 |
78 |
|
[PE3]A:704 |
9 |
1 |
367 |
f |
G |
x,y,z |
1_555 |
16 |
6 |
29340 |
109.6 |
0.5 |
0.394 |
0 |
0 |
0 |
0.000 |
| 66 |
79 |
|
[ACT]F:503 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
17397 |
109.0 |
-0.5 |
0.600 |
1 |
0 |
0 |
0.006 |
| 67 |
80 |
|
[GOL]A:713 |
5 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
29322 |
105.1 |
-0.2 |
0.544 |
1 |
0 |
0 |
0.003 |
| 68 |
81 |
|
A |
8 |
4 |
29322 |
◊ |
G |
x,y-1,z |
1_545 |
14 |
3 |
29340 |
103.8 |
0.7 |
0.741 |
1 |
1 |
0 |
0.000 |
| 69 |
82 |
|
A |
16 |
7 |
29322 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
11 |
5 |
11067 |
102.7 |
2.2 |
0.878 |
2 |
3 |
0 |
0.000 |
| 70 |
83 |
|
[GOL]G:711 |
5 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
29340 |
93.5 |
-0.5 |
0.484 |
1 |
0 |
0 |
0.004 |
| 71 |
84 |
|
[GOL]D:203 |
5 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
7599 |
93.5 |
-0.7 |
0.434 |
0 |
0 |
0 |
0.004 |
| 72 |
85 |
|
[GOL]A:711 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
29322 |
93.1 |
-0.4 |
0.533 |
2 |
0 |
0 |
0.006 |
| 73 |
86 |
|
[ACT]G:703 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
20 |
6 |
29340 |
88.1 |
-0.6 |
0.631 |
1 |
0 |
0 |
0.005 |
| 74 |
87 |
|
[GOL]A:711 |
6 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
11431 |
77.7 |
-0.0 |
0.549 |
1 |
0 |
0 |
0.000 |
| 75 |
88 |
|
[GOL]G:711 |
6 |
1 |
218 |
◊ |
I |
x,y,z |
1_555 |
12 |
6 |
11067 |
75.9 |
-0.0 |
0.552 |
1 |
0 |
0 |
0.000 |
| 76 |
89 |
|
[ACT]A:703 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
29340 |
73.6 |
-1.3 |
0.480 |
0 |
0 |
0 |
0.006 |
| 77 |
90 |
|
[ACT]G:704 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
29340 |
71.2 |
-1.0 |
0.555 |
1 |
0 |
0 |
0.006 |
| 78 |
91 |
|
[GOL]G:712 |
6 |
1 |
220 |
◊ |
J |
x,y,z |
1_555 |
7 |
4 |
7567 |
70.9 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.002 |
| 79 |
92 |
|
[ACT]B:303 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12771 |
69.8 |
0.6 |
0.822 |
2 |
0 |
0 |
0.002 |
| 80 |
93 |
|
[ACT]G:704 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
29322 |
68.6 |
-0.1 |
0.587 |
1 |
0 |
0 |
0.001 |
| 81 |
94 |
|
[NA]G:702 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
29340 |
67.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.049 |
| 82 |
95 |
|
[SF4]G:706 |
4 |
1 |
300 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
29322 |
64.2 |
-6.9 |
0.146 |
0 |
0 |
0 |
0.017 |
| 83 |
96 |
|
[GOL]A:712 |
6 |
1 |
222 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
7599 |
64.1 |
-0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
| 84 |
97 |
|
K |
7 |
3 |
16313 |
◊ |
C |
-x+1,y,-z |
2_655 |
7 |
2 |
11431 |
63.7 |
0.9 |
0.805 |
1 |
1 |
0 |
0.000 |
| 85 |
98 |
|
[SF4]A:705 |
4 |
1 |
299 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
29340 |
63.7 |
-6.7 |
0.132 |
0 |
0 |
0 |
0.016 |
| 86 |
99 |
|
L |
11 |
3 |
17256 |
◊ |
B |
-x+1,y-1,-z |
2_645 |
10 |
5 |
12771 |
63.5 |
0.6 |
0.700 |
1 |
1 |
0 |
0.000 |
| 87 |
100 |
|
[ACT]A:703 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
7 |
29322 |
63.4 |
0.0 |
0.637 |
1 |
0 |
0 |
0.001 |
| 88 |
101 |
|
[NA]A:702 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
29322 |
62.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.035 |
| 89 |
102 |
|
[SF4]K:301 |
4 |
1 |
297 |
◊ |
L |
x,y,z |
1_555 |
15 |
5 |
17256 |
61.4 |
-5.4 |
0.530 |
0 |
0 |
0 |
0.034 |
| 90 |
103 |
|
[SF4]E:301 |
4 |
1 |
296 |
◊ |
F |
x,y,z |
1_555 |
16 |
6 |
17397 |
61.1 |
-5.3 |
0.553 |
0 |
0 |
0 |
0.032 |
| 91 |
104 |
|
[MG]I:201 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
13 |
7 |
11067 |
59.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.053 |
| 92 |
105 |
|
[GOL]K:306 |
4 |
1 |
221 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
17256 |
58.8 |
-0.9 |
0.246 |
0 |
0 |
0 |
0.006 |
| 93 |
106 |
|
K |
7 |
3 |
16313 |
◊ |
C |
-x+1,y-1,-z |
2_645 |
5 |
2 |
11431 |
55.0 |
1.2 |
0.841 |
0 |
0 |
0 |
0.000 |
| 94 |
107 |
|
[SF4]K:302 |
4 |
1 |
298 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17256 |
50.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| 95 |
108 |
|
[SF4]E:303 |
4 |
1 |
295 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
17397 |
48.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.020 |
| 96 |
109 |
|
[9S8]H:302 |
2 |
1 |
326 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
11067 |
47.7 |
-3.9 |
0.595 |
0 |
0 |
0 |
0.025 |
110 |
|
[9S8]B:301 |
2 |
1 |
329 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
11431 |
45.6 |
-3.7 |
0.635 |
0 |
0 |
0 |
0.025 |
| Average: |
46.6 |
-3.8 |
0.615 |
0 |
0 |
0 |
0.025 |
| 97 |
111 |
|
[9S8]B:302 |
3 |
1 |
329 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
11431 |
47.6 |
-4.4 |
0.714 |
0 |
0 |
0 |
0.028 |
| 98 |
112 |
|
[9S8]H:301 |
3 |
1 |
326 |
◊ |
I |
x,y,z |
1_555 |
9 |
4 |
11067 |
43.4 |
-4.1 |
0.739 |
0 |
0 |
0 |
0.026 |
| 99 |
113 |
|
F |
7 |
3 |
17397 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
16370 |
43.3 |
1.1 |
0.791 |
2 |
2 |
0 |
0.000 |
| 100 |
114 |
|
[CA]L:501 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
17256 |
42.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.072 |
115 |
|
[CA]F:501 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
17397 |
42.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.072 |
| Average: |
42.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.072 |
| 101 |
116 |
|
[ACT]G:703 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
11431 |
38.4 |
0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
| 102 |
117 |
|
[MG]F:502 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
17397 |
37.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| 103 |
118 |
|
[GOL]K:305 |
3 |
1 |
221 |
f |
[GOL]K:304 |
x,y,z |
1_555 |
4 |
1 |
219 |
34.8 |
0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
| 104 |
119 |
|
[MG]F:502 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
16370 |
31.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.021 |
| 105 |
120 |
|
[ACT]G:703 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12771 |
29.9 |
0.5 |
0.834 |
0 |
0 |
0 |
0.000 |
| 106 |
121 |
|
[SF4]G:705 |
3 |
1 |
298 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
16313 |
28.5 |
-1.7 |
0.000 |
1 |
0 |
0 |
0.006 |
| 107 |
122 |
|
[SF4]A:709 |
2 |
1 |
299 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
16370 |
26.3 |
-1.6 |
0.000 |
1 |
0 |
0 |
0.006 |
| 108 |
123 |
|
H |
4 |
1 |
12949 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
11067 |
24.2 |
0.5 |
0.771 |
0 |
0 |
0 |
0.000 |
| 109 |
124 |
|
[9S8]B:301 |
5 |
1 |
329 |
f |
[GOL]B:304 |
x,y,z |
1_555 |
3 |
1 |
220 |
23.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 110 |
125 |
|
F |
3 |
1 |
17397 |
◊ |
H |
-x+1/2,y-1/2,-z |
4_545 |
5 |
3 |
12949 |
20.2 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
| 111 |
126 |
|
[FAD]A:701 |
3 |
1 |
1005 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
29340 |
19.7 |
-0.0 |
0.356 |
0 |
0 |
0 |
0.000 |
127 |
|
[FAD]G:701 |
3 |
1 |
1007 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
29322 |
16.9 |
-0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
| Average: |
18.3 |
-0.0 |
0.364 |
0 |
0 |
0 |
0.000 |
| 112 |
128 |
|
H |
3 |
1 |
12949 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
7599 |
19.2 |
0.4 |
0.815 |
0 |
0 |
0 |
0.000 |
| 113 |
129 |
|
[GOL]G:713 |
3 |
1 |
221 |
f |
[FAD]G:701 |
x,y,z |
1_555 |
4 |
1 |
1007 |
19.1 |
-0.4 |
0.476 |
0 |
0 |
0 |
0.002 |
| 114 |
130 |
|
K |
3 |
1 |
16313 |
◊ |
G |
-x+1,y,-z |
2_655 |
1 |
1 |
29340 |
18.5 |
0.6 |
0.877 |
0 |
0 |
0 |
0.000 |
| 115 |
131 |
|
[SF4]A:708 |
2 |
1 |
295 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
29340 |
15.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| 116 |
132 |
|
[SF4]G:710 |
2 |
1 |
298 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
7567 |
14.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 117 |
133 |
|
[SF4]A:710 |
2 |
1 |
299 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7599 |
14.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 118 |
134 |
|
[SF4]K:303 |
2 |
1 |
298 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
29340 |
13.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.005 |
| 119 |
135 |
|
[SF4]E:302 |
2 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
29322 |
12.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 120 |
136 |
|
[SF4]G:708 |
2 |
1 |
298 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
29322 |
12.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 121 |
137 |
|
[SF4]C:201 |
1 |
1 |
298 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
29340 |
11.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 122 |
138 |
|
[TRS]D:202 |
2 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
29322 |
11.6 |
0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
| 123 |
139 |
|
[GOL]G:711 |
2 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
29322 |
11.6 |
0.4 |
0.748 |
0 |
0 |
0 |
0.000 |
| 124 |
140 |
|
[NA]A:702 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
29340 |
10.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.002 |
| 125 |
141 |
|
[9S8]B:302 |
2 |
1 |
329 |
f |
[GOL]B:304 |
x,y,z |
1_555 |
1 |
1 |
220 |
9.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| 126 |
142 |
|
[GOL]A:711 |
1 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
29340 |
9.6 |
0.2 |
0.689 |
0 |
0 |
0 |
0.000 |
| 127 |
143 |
|
[SF4]I:203 |
1 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
29322 |
9.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 128 |
144 |
|
[GOL]B:304 |
1 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
11431 |
8.7 |
0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
| 129 |
145 |
|
F |
3 |
1 |
17397 |
◊ |
[GOL]A:713 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
223 |
7.6 |
0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
| 130 |
146 |
|
[FES]D:201 |
2 |
1 |
238 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
29322 |
7.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| 131 |
147 |
|
[CA]F:501 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16370 |
7.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
148 |
|
[CA]L:501 |
1 |
1 |
85 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
16313 |
7.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
7.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 132 |
149 |
|
[FES]J:201 |
2 |
1 |
237 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
29340 |
7.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| 133 |
150 |
|
J |
1 |
1 |
7567 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12771 |
6.5 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
151 |
|
D |
1 |
1 |
7599 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12949 |
3.0 |
0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
| Average: |
4.7 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
| 134 |
152 |
|
F |
1 |
1 |
17397 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7599 |
6.0 |
0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
153 |
|
L |
1 |
1 |
17256 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
7567 |
2.6 |
0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
| Average: |
4.3 |
0.2 |
0.812 |
0 |
0 |
0 |
0.000 |
| 135 |
154 |
|
[SF4]I:202 |
1 |
1 |
296 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12949 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 136 |
155 |
|
[SF4]C:202 |
1 |
1 |
298 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12771 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 137 |
156 |
|
H |
1 |
1 |
12949 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
29322 |
0.5 |
0.0 |
0.691 |
0 |
0 |
0 |
0.000 |
|