| ## |
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 |
|
T |
256 |
72 |
18917 |
x |
R |
x,y,z |
1_555 |
251 |
64 |
18507 |
2448.1 |
-20.0 |
0.184 |
36 |
10 |
0 |
1.000 |
2 |
|
P |
252 |
72 |
18968 |
x |
P |
z,x,y |
5_555 |
250 |
66 |
18968 |
2437.0 |
-18.9 |
0.279 |
38 |
10 |
0 |
1.000 |
3 |
|
Q |
246 |
64 |
19105 |
x |
J |
x,y,z |
1_555 |
252 |
71 |
18621 |
2436.6 |
-16.5 |
0.352 |
36 |
11 |
0 |
1.000 |
4 |
|
S |
248 |
65 |
18801 |
x |
R |
x,y,z |
1_555 |
256 |
72 |
18507 |
2430.3 |
-20.9 |
0.215 |
34 |
12 |
0 |
1.000 |
5 |
|
J |
248 |
64 |
18621 |
x |
I |
x,y,z |
1_555 |
253 |
72 |
18761 |
2429.2 |
-19.5 |
0.238 |
35 |
12 |
0 |
1.000 |
6 |
|
M |
250 |
64 |
18721 |
x |
G |
x,y,z |
1_555 |
258 |
73 |
18715 |
2425.7 |
-18.5 |
0.241 |
36 |
11 |
0 |
1.000 |
7 |
|
T |
253 |
65 |
18917 |
x |
S |
x,y,z |
1_555 |
251 |
72 |
18801 |
2424.8 |
-21.4 |
0.196 |
35 |
10 |
0 |
1.000 |
8 |
|
M |
247 |
71 |
18721 |
x |
K |
x,y,z |
1_555 |
246 |
64 |
19118 |
2421.7 |
-19.4 |
0.195 |
38 |
12 |
0 |
1.000 |
9 |
|
K |
256 |
74 |
19118 |
x |
G |
x,y,z |
1_555 |
250 |
65 |
18715 |
2419.9 |
-17.0 |
0.271 |
42 |
9 |
0 |
1.000 |
10 |
|
B |
252 |
66 |
19047 |
x |
B |
z,x,y |
5_555 |
259 |
71 |
19047 |
2419.3 |
-18.4 |
0.259 |
40 |
10 |
0 |
1.000 |
11 |
|
D |
256 |
72 |
18805 |
x |
A |
z,x,y |
5_555 |
244 |
64 |
18988 |
2410.3 |
-18.5 |
0.306 |
37 |
12 |
0 |
1.000 |
12 |
|
Q |
255 |
73 |
19105 |
x |
I |
x,y,z |
1_555 |
255 |
65 |
18761 |
2409.7 |
-19.7 |
0.230 |
35 |
11 |
0 |
1.000 |
13 |
|
F |
245 |
64 |
18679 |
x |
A |
x,y,z |
1_555 |
252 |
72 |
18988 |
2409.1 |
-19.0 |
0.250 |
37 |
11 |
0 |
1.000 |
14 |
|
D |
244 |
64 |
18805 |
x |
F |
z,x,y |
5_555 |
244 |
71 |
18679 |
2400.7 |
-18.3 |
0.231 |
38 |
11 |
0 |
1.000 |
15 |
|
L |
245 |
66 |
19042 |
x |
C |
x,y,z |
1_555 |
249 |
72 |
18781 |
2394.4 |
-17.7 |
0.257 |
37 |
12 |
0 |
1.000 |
16 |
|
O |
247 |
71 |
18717 |
x |
H |
x,y,z |
1_555 |
245 |
64 |
18848 |
2393.8 |
-18.6 |
0.269 |
34 |
11 |
0 |
1.000 |
17 |
|
O |
239 |
64 |
18717 |
x |
N |
x,y,z |
1_555 |
256 |
72 |
18709 |
2393.3 |
-20.0 |
0.203 |
38 |
11 |
0 |
1.000 |
18 |
|
N |
248 |
65 |
18709 |
x |
H |
x,y,z |
1_555 |
248 |
71 |
18848 |
2383.0 |
-19.9 |
0.225 |
38 |
11 |
0 |
1.000 |
19 |
|
L |
246 |
71 |
19042 |
x |
E |
x,y,z |
1_555 |
251 |
64 |
18807 |
2381.9 |
-19.2 |
0.220 |
35 |
10 |
0 |
1.000 |
20 |
|
E |
244 |
72 |
18807 |
x |
C |
x,y,z |
1_555 |
242 |
64 |
18781 |
2377.5 |
-18.7 |
0.244 |
33 |
12 |
0 |
1.000 |
| Average: |
2412.3 |
-19.0 |
0.243 |
37 |
11 |
0 |
1.000 |
| 2 |
21 |
|
B |
115 |
33 |
19047 |
◊ |
A |
x,y,z |
1_555 |
121 |
42 |
18988 |
1087.5 |
-2.5 |
0.730 |
19 |
3 |
0 |
0.184 |
22 |
|
T |
107 |
32 |
18917 |
◊ |
L |
x,y,z |
1_555 |
112 |
39 |
19042 |
1003.8 |
-3.1 |
0.712 |
17 |
1 |
0 |
0.184 |
23 |
|
L |
102 |
30 |
19042 |
◊ |
D |
x,y,z |
1_555 |
101 |
34 |
18805 |
1003.2 |
-2.4 |
0.736 |
15 |
1 |
0 |
0.184 |
24 |
|
T |
117 |
38 |
18917 |
◊ |
A |
x,y,z |
1_555 |
99 |
31 |
18988 |
997.0 |
-4.6 |
0.602 |
14 |
2 |
0 |
0.184 |
25 |
|
Q |
102 |
30 |
19105 |
◊ |
N |
x,y,z |
1_555 |
103 |
37 |
18709 |
977.6 |
-2.8 |
0.727 |
11 |
1 |
0 |
0.184 |
26 |
|
S |
94 |
29 |
18801 |
◊ |
F |
x,y,z |
1_555 |
99 |
36 |
18679 |
971.3 |
-1.0 |
0.796 |
16 |
1 |
0 |
0.184 |
27 |
|
H |
106 |
35 |
18848 |
◊ |
K |
z,x,y |
5_555 |
98 |
30 |
19118 |
963.0 |
-1.8 |
0.777 |
16 |
3 |
0 |
0.184 |
28 |
|
R |
97 |
29 |
18507 |
◊ |
M |
x,y,z |
1_555 |
101 |
34 |
18721 |
941.7 |
-0.8 |
0.786 |
15 |
2 |
0 |
0.184 |
29 |
|
Q |
95 |
34 |
19105 |
◊ |
M |
x,y,z |
1_555 |
103 |
29 |
18721 |
939.3 |
0.5 |
0.865 |
22 |
2 |
0 |
0.184 |
30 |
|
K |
98 |
35 |
19118 |
◊ |
J |
x,y,z |
1_555 |
95 |
29 |
18621 |
925.8 |
-3.4 |
0.668 |
16 |
4 |
0 |
0.184 |
31 |
|
D |
94 |
27 |
18805 |
◊ |
B |
x,y,z |
1_555 |
98 |
35 |
19047 |
913.7 |
-2.1 |
0.726 |
15 |
2 |
0 |
0.184 |
32 |
|
R |
99 |
34 |
18507 |
◊ |
C |
x,y,z |
1_555 |
92 |
29 |
18781 |
913.6 |
-3.4 |
0.662 |
12 |
1 |
0 |
0.184 |
33 |
|
I |
102 |
35 |
18761 |
◊ |
H |
x,y,z |
1_555 |
95 |
28 |
18848 |
909.1 |
-1.8 |
0.761 |
13 |
2 |
0 |
0.184 |
34 |
|
E |
92 |
33 |
18807 |
◊ |
F |
z,x,y |
5_555 |
94 |
28 |
18679 |
904.8 |
-0.7 |
0.806 |
16 |
4 |
0 |
0.184 |
35 |
|
O |
93 |
33 |
18717 |
◊ |
E |
x,y,z |
1_555 |
86 |
27 |
18807 |
889.7 |
-3.1 |
0.630 |
13 |
0 |
0 |
0.184 |
36 |
|
O |
90 |
29 |
18717 |
◊ |
G |
z,x,y |
5_555 |
95 |
32 |
18715 |
885.4 |
-1.1 |
0.786 |
16 |
1 |
0 |
0.184 |
37 |
|
P |
93 |
28 |
18968 |
◊ |
J |
x,y,z |
1_555 |
94 |
32 |
18621 |
885.0 |
-2.1 |
0.716 |
13 |
3 |
0 |
0.184 |
38 |
|
N |
85 |
26 |
18709 |
◊ |
C |
x,y,z |
1_555 |
93 |
34 |
18781 |
877.0 |
-0.4 |
0.816 |
16 |
2 |
0 |
0.184 |
39 |
|
S |
86 |
31 |
18801 |
◊ |
G |
x,y,z |
1_555 |
88 |
27 |
18715 |
850.4 |
-0.7 |
0.790 |
10 |
2 |
0 |
0.184 |
40 |
|
I |
91 |
29 |
18761 |
◊ |
P |
z,x,y |
5_555 |
92 |
31 |
18968 |
846.4 |
-2.1 |
0.727 |
13 |
1 |
0 |
0.184 |
| Average: |
934.3 |
-2.0 |
0.741 |
15 |
2 |
0 |
0.184 |
| 3 |
41 |
|
P |
71 |
28 |
18968 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
71 |
21 |
18807 |
628.2 |
0.6 |
0.840 |
14 |
0 |
0 |
0.000 |
| 4 |
42 |
|
A |
47 |
16 |
18988 |
◊ |
R |
-z+1/2,-x,y+1/2 |
7_555 |
43 |
13 |
18507 |
395.0 |
-3.5 |
0.443 |
3 |
0 |
0 |
0.000 |
| 5 |
43 |
|
H |
36 |
12 |
18848 |
◊ |
G |
z,x,y |
5_555 |
36 |
12 |
18715 |
393.9 |
1.5 |
0.862 |
10 |
0 |
0 |
0.043 |
44 |
|
R |
37 |
11 |
18507 |
◊ |
L |
x,y,z |
1_555 |
34 |
11 |
19042 |
379.7 |
0.9 |
0.814 |
12 |
0 |
0 |
0.043 |
45 |
|
S |
38 |
11 |
18801 |
◊ |
M |
x,y,z |
1_555 |
39 |
11 |
18721 |
378.9 |
0.8 |
0.813 |
11 |
0 |
0 |
0.043 |
46 |
|
N |
35 |
12 |
18709 |
◊ |
I |
x,y,z |
1_555 |
36 |
11 |
18761 |
377.7 |
1.0 |
0.829 |
10 |
0 |
0 |
0.043 |
47 |
|
B |
34 |
11 |
19047 |
◊ |
A |
z,x,y |
5_555 |
35 |
11 |
18988 |
375.3 |
0.8 |
0.813 |
11 |
0 |
0 |
0.043 |
48 |
|
E |
34 |
12 |
18807 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
18805 |
374.4 |
1.1 |
0.830 |
12 |
0 |
0 |
0.043 |
49 |
|
T |
37 |
11 |
18917 |
◊ |
F |
x,y,z |
1_555 |
38 |
11 |
18679 |
373.2 |
0.6 |
0.789 |
11 |
0 |
0 |
0.043 |
50 |
|
J |
36 |
11 |
18621 |
◊ |
P |
z,x,y |
5_555 |
35 |
12 |
18968 |
371.3 |
1.0 |
0.824 |
14 |
0 |
0 |
0.043 |
51 |
|
Q |
36 |
11 |
19105 |
◊ |
K |
x,y,z |
1_555 |
36 |
11 |
19118 |
368.3 |
0.7 |
0.803 |
10 |
0 |
0 |
0.043 |
52 |
|
O |
36 |
12 |
18717 |
◊ |
C |
x,y,z |
1_555 |
35 |
11 |
18781 |
363.3 |
0.6 |
0.792 |
12 |
0 |
0 |
0.043 |
| Average: |
375.6 |
0.9 |
0.817 |
11 |
0 |
0 |
0.043 |
| 6 |
53 |
|
B |
43 |
15 |
19047 |
◊ |
G |
-z+1/2,-x,y+1/2 |
7_555 |
40 |
13 |
18715 |
379.1 |
-0.2 |
0.732 |
9 |
0 |
0 |
0.000 |
| 7 |
54 |
|
P |
34 |
10 |
18968 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
41 |
14 |
18781 |
336.9 |
-1.2 |
0.639 |
9 |
0 |
0 |
0.000 |
| 8 |
55 |
|
I |
31 |
13 |
18761 |
◊ |
N |
-z,x-1/2,-y-1/2 |
8_544 |
24 |
6 |
18709 |
259.7 |
-1.1 |
0.539 |
3 |
0 |
0 |
0.000 |
| 9 |
56 |
|
G |
24 |
8 |
18715 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
10 |
19047 |
220.7 |
-1.3 |
0.551 |
2 |
1 |
0 |
0.000 |
| 10 |
57 |
|
K |
21 |
7 |
19118 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
9 |
19047 |
210.6 |
-1.4 |
0.517 |
1 |
0 |
0 |
0.000 |
| 11 |
58 |
|
T |
17 |
8 |
18917 |
◊ |
R |
-z+1/2,-x,y+1/2 |
7_555 |
19 |
8 |
18507 |
177.7 |
-1.4 |
0.422 |
2 |
0 |
0 |
0.000 |
| 12 |
59 |
|
P |
14 |
5 |
18968 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
20 |
7 |
19042 |
160.9 |
0.1 |
0.704 |
3 |
0 |
0 |
0.000 |
| 13 |
60 |
|
H |
17 |
5 |
18848 |
◊ |
N |
-z,x-1/2,-y-1/2 |
8_544 |
14 |
6 |
18709 |
142.5 |
-0.7 |
0.558 |
1 |
0 |
0 |
0.000 |
| 14 |
61 |
|
C |
17 |
7 |
18781 |
x |
C |
-z+1/2,-x,y+1/2 |
7_555 |
9 |
5 |
18781 |
127.3 |
1.3 |
0.834 |
0 |
0 |
0 |
0.000 |
| 15 |
62 |
|
M |
15 |
4 |
18721 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
4 |
19047 |
121.0 |
-1.2 |
0.433 |
0 |
0 |
0 |
0.000 |
| 16 |
63 |
|
T |
13 |
5 |
18917 |
x |
T |
-z+1/2,-x,y+1/2 |
7_555 |
10 |
5 |
18917 |
101.2 |
0.4 |
0.693 |
0 |
0 |
0 |
0.000 |
| 17 |
64 |
|
L |
14 |
6 |
19042 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
18988 |
94.8 |
-1.6 |
0.314 |
1 |
0 |
0 |
0.005 |
65 |
|
L |
9 |
1 |
19042 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
19047 |
64.9 |
-1.6 |
0.242 |
0 |
0 |
0 |
0.005 |
66 |
|
T |
7 |
3 |
18917 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
19047 |
60.3 |
-1.1 |
0.340 |
0 |
0 |
0 |
0.005 |
67 |
|
T |
4 |
1 |
18917 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
18805 |
34.4 |
-0.4 |
0.447 |
0 |
0 |
0 |
0.005 |
| Average: |
63.6 |
-1.1 |
0.336 |
0 |
0 |
0 |
0.005 |
| 18 |
68 |
|
K |
6 |
3 |
19118 |
x |
K |
z-1/2,-x-1/2,-y |
6_445 |
9 |
4 |
19118 |
70.0 |
-0.5 |
0.511 |
0 |
0 |
0 |
0.000 |
| 19 |
69 |
|
[CL]P:5502 |
1 |
1 |
125 |
x |
P |
x,y,z |
1_555 |
7 |
3 |
18968 |
44.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.139 |
70 |
|
[CL]B:5501 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
6 |
3 |
19047 |
44.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.139 |
71 |
|
[CL]C:5504 |
1 |
1 |
125 |
x |
L |
x,y,z |
1_555 |
6 |
3 |
19042 |
38.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.139 |
72 |
|
D |
7 |
3 |
18805 |
x |
[CL]A:5503 |
z,x,y |
5_555 |
1 |
1 |
125 |
38.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.139 |
73 |
|
[CL]G:5505 |
1 |
1 |
125 |
x |
M |
x,y,z |
1_555 |
7 |
3 |
18721 |
38.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.139 |
74 |
|
[CL]I:5507 |
1 |
1 |
125 |
x |
Q |
x,y,z |
1_555 |
7 |
3 |
19105 |
38.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.139 |
75 |
|
[CL]R:5508 |
1 |
1 |
125 |
x |
R |
x,y,z |
1_555 |
7 |
3 |
18507 |
38.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.139 |
76 |
|
[CL]H:5506 |
1 |
1 |
125 |
x |
H |
x,y,z |
1_555 |
7 |
3 |
18848 |
38.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.139 |
77 |
|
[CL]H:5506 |
1 |
1 |
125 |
x |
N |
x,y,z |
1_555 |
6 |
3 |
18709 |
38.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.139 |
78 |
|
[CL]A:5503 |
1 |
1 |
125 |
x |
F |
x,y,z |
1_555 |
6 |
3 |
18679 |
37.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.139 |
79 |
|
[CL]I:5507 |
1 |
1 |
125 |
x |
I |
x,y,z |
1_555 |
6 |
3 |
18761 |
37.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.139 |
80 |
|
[CL]R:5508 |
1 |
1 |
125 |
x |
T |
x,y,z |
1_555 |
7 |
3 |
18917 |
37.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.139 |
81 |
|
[CL]C:5504 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
6 |
3 |
18781 |
37.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.139 |
82 |
|
[CL]G:5505 |
1 |
1 |
125 |
x |
K |
x,y,z |
1_555 |
7 |
3 |
19118 |
37.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.139 |
83 |
|
[CL]A:5503 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
18988 |
37.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.139 |
84 |
|
[CL]C:5504 |
1 |
1 |
125 |
x |
E |
x,y,z |
1_555 |
6 |
3 |
18807 |
37.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.139 |
85 |
|
[CL]R:5508 |
1 |
1 |
125 |
x |
S |
x,y,z |
1_555 |
6 |
3 |
18801 |
37.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.139 |
86 |
|
[CL]G:5505 |
1 |
1 |
125 |
x |
G |
x,y,z |
1_555 |
6 |
3 |
18715 |
36.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.139 |
87 |
|
[CL]I:5507 |
1 |
1 |
125 |
x |
J |
x,y,z |
1_555 |
6 |
3 |
18621 |
36.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.139 |
88 |
|
[CL]H:5506 |
1 |
1 |
125 |
x |
O |
x,y,z |
1_555 |
6 |
3 |
18717 |
36.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
38.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.139 |
| 20 |
89 |
|
P |
6 |
1 |
18968 |
◊ |
C |
-z,x-1/2,-y-1/2 |
8_544 |
5 |
2 |
18781 |
37.9 |
0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
| 21 |
90 |
|
[CA]P:5902 |
1 |
1 |
85 |
x |
P |
x,y,z |
1_555 |
3 |
2 |
18968 |
37.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.165 |
91 |
|
[CA]B:5901 |
1 |
1 |
85 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
19047 |
36.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.165 |
92 |
|
[CA]C:5904 |
1 |
1 |
85 |
x |
C |
x,y,z |
1_555 |
4 |
2 |
18781 |
26.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.165 |
93 |
|
[CA]A:5903 |
1 |
1 |
85 |
x |
A |
x,y,z |
1_555 |
3 |
2 |
18988 |
26.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.165 |
94 |
|
[CA]H:5906 |
1 |
1 |
85 |
x |
O |
x,y,z |
1_555 |
3 |
2 |
18717 |
26.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.165 |
95 |
|
[CA]R:5908 |
1 |
1 |
85 |
x |
T |
x,y,z |
1_555 |
5 |
2 |
18917 |
26.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.165 |
96 |
|
[CA]I:5907 |
1 |
1 |
85 |
x |
J |
x,y,z |
1_555 |
4 |
2 |
18621 |
25.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.165 |
97 |
|
[CA]G:5905 |
1 |
1 |
85 |
x |
M |
x,y,z |
1_555 |
3 |
2 |
18721 |
25.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.165 |
98 |
|
[CA]H:5906 |
1 |
1 |
85 |
x |
H |
x,y,z |
1_555 |
4 |
2 |
18848 |
25.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.165 |
99 |
|
[CA]G:5905 |
1 |
1 |
85 |
x |
G |
x,y,z |
1_555 |
2 |
2 |
18715 |
25.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.165 |
100 |
|
[CA]I:5907 |
1 |
1 |
85 |
x |
Q |
x,y,z |
1_555 |
4 |
2 |
19105 |
25.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.165 |
101 |
|
[CA]R:5908 |
1 |
1 |
85 |
x |
R |
x,y,z |
1_555 |
4 |
2 |
18507 |
25.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.165 |
102 |
|
[CA]C:5904 |
1 |
1 |
85 |
x |
L |
x,y,z |
1_555 |
4 |
2 |
19042 |
25.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.165 |
103 |
|
[CA]G:5905 |
1 |
1 |
85 |
x |
K |
x,y,z |
1_555 |
4 |
2 |
19118 |
25.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.165 |
104 |
|
[CA]R:5908 |
1 |
1 |
85 |
x |
S |
x,y,z |
1_555 |
4 |
2 |
18801 |
25.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.165 |
105 |
|
[CA]H:5906 |
1 |
1 |
85 |
x |
N |
x,y,z |
1_555 |
3 |
2 |
18709 |
25.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.165 |
106 |
|
[CA]C:5904 |
1 |
1 |
85 |
x |
E |
x,y,z |
1_555 |
4 |
2 |
18807 |
25.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.165 |
107 |
|
D |
3 |
2 |
18805 |
x |
[CA]A:5903 |
z,x,y |
5_555 |
1 |
1 |
85 |
25.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.165 |
108 |
|
[CA]A:5903 |
1 |
1 |
85 |
x |
F |
x,y,z |
1_555 |
4 |
2 |
18679 |
25.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.165 |
109 |
|
[CA]I:5907 |
1 |
1 |
85 |
x |
I |
x,y,z |
1_555 |
4 |
2 |
18761 |
25.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.165 |
| Average: |
26.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.165 |
| 22 |
110 |
|
H |
3 |
1 |
18848 |
x |
H |
-z,x-1/2,-y-1/2 |
8_544 |
5 |
2 |
18848 |
31.7 |
0.5 |
0.791 |
1 |
0 |
0 |
0.000 |
| 23 |
111 |
|
E |
2 |
2 |
18807 |
◊ |
P |
z+1/2,-x-1/2,-y |
6_545 |
1 |
1 |
18968 |
16.2 |
-0.1 |
0.343 |
0 |
0 |
0 |
0.000 |
| 24 |
112 |
|
L |
2 |
1 |
19042 |
◊ |
R |
-z+1/2,-x,y+1/2 |
7_555 |
3 |
1 |
18507 |
10.4 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
| 25 |
113 |
|
B |
1 |
1 |
19047 |
◊ |
R |
-z+1/2,-x,y+1/2 |
7_555 |
1 |
1 |
18507 |
4.2 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
| 26 |
114 |
|
P |
1 |
1 |
18968 |
◊ |
E |
-z,x-1/2,-y-1/2 |
8_544 |
1 |
1 |
18807 |
2.1 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
| 27 |
115 |
|
B |
1 |
1 |
19047 |
◊ |
K |
-z+1/2,-x,y+1/2 |
7_555 |
1 |
1 |
19118 |
0.6 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
|