| ## |
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 |
|
D |
163 |
45 |
14959 |
◊ |
C |
x,y,z |
1_555 |
164 |
45 |
14995 |
1582.8 |
-14.9 |
0.082 |
25 |
2 |
0 |
1.000 |
2 |
|
F |
166 |
44 |
15103 |
◊ |
E |
x,y,z |
1_555 |
167 |
45 |
15027 |
1570.4 |
-16.2 |
0.065 |
22 |
3 |
0 |
1.000 |
3 |
|
B |
158 |
42 |
14803 |
◊ |
A |
x,y,z |
1_555 |
158 |
42 |
15032 |
1566.4 |
-15.5 |
0.052 |
22 |
4 |
0 |
1.000 |
4 |
|
H |
165 |
45 |
14996 |
◊ |
G |
x,y,z |
1_555 |
163 |
45 |
14819 |
1563.9 |
-14.9 |
0.071 |
22 |
4 |
0 |
1.000 |
| Average: |
1570.9 |
-15.4 |
0.067 |
23 |
3 |
0 |
1.000 |
| 2 |
5 |
|
L |
81 |
11 |
2848 |
◊ |
C |
x,y,z |
1_555 |
82 |
28 |
14995 |
754.9 |
-6.6 |
0.572 |
11 |
0 |
0 |
1.000 |
6 |
|
M |
82 |
11 |
2855 |
◊ |
F |
x,y,z |
1_555 |
79 |
28 |
15103 |
730.7 |
-8.7 |
0.411 |
11 |
0 |
0 |
1.000 |
7 |
|
N |
76 |
11 |
2852 |
◊ |
E |
x,y,z |
1_555 |
78 |
27 |
15027 |
702.0 |
-10.2 |
0.316 |
12 |
0 |
0 |
1.000 |
8 |
|
P |
75 |
11 |
2851 |
◊ |
G |
x,y,z |
1_555 |
79 |
27 |
14819 |
672.6 |
-8.8 |
0.323 |
11 |
0 |
0 |
1.000 |
| Average: |
715.0 |
-8.6 |
0.405 |
11 |
0 |
0 |
1.000 |
| 3 |
9 |
|
K |
78 |
11 |
3079 |
◊ |
D |
x,y,z |
1_555 |
82 |
27 |
14959 |
716.0 |
-9.9 |
0.425 |
11 |
0 |
0 |
1.000 |
10 |
|
I |
77 |
11 |
3070 |
◊ |
B |
x,y,z |
1_555 |
77 |
28 |
14803 |
679.7 |
-8.6 |
0.354 |
11 |
0 |
0 |
1.000 |
11 |
|
J |
76 |
11 |
3081 |
◊ |
A |
x,y,z |
1_555 |
78 |
28 |
15032 |
674.4 |
-8.7 |
0.365 |
12 |
0 |
0 |
1.000 |
12 |
|
O |
74 |
11 |
3076 |
◊ |
H |
x,y,z |
1_555 |
74 |
27 |
14996 |
663.6 |
-8.6 |
0.347 |
11 |
0 |
0 |
1.000 |
| Average: |
683.4 |
-8.9 |
0.373 |
11 |
0 |
0 |
1.000 |
| 4 |
13 |
|
I |
79 |
9 |
3070 |
◊ |
A |
x,y,z |
1_555 |
81 |
26 |
15032 |
690.0 |
-3.5 |
0.706 |
17 |
0 |
0 |
1.000 |
14 |
|
J |
77 |
9 |
3081 |
◊ |
B |
x,y,z |
1_555 |
82 |
27 |
14803 |
688.9 |
-5.9 |
0.663 |
15 |
0 |
0 |
1.000 |
15 |
|
K |
76 |
9 |
3079 |
◊ |
C |
x,y,z |
1_555 |
82 |
26 |
14995 |
685.4 |
-6.3 |
0.629 |
15 |
0 |
0 |
1.000 |
16 |
|
O |
74 |
8 |
3076 |
◊ |
G |
x,y,z |
1_555 |
86 |
27 |
14819 |
681.5 |
-6.1 |
0.618 |
18 |
0 |
0 |
1.000 |
| Average: |
686.5 |
-5.5 |
0.654 |
16 |
0 |
0 |
1.000 |
| 5 |
17 |
|
N |
75 |
9 |
2852 |
◊ |
F |
x,y,z |
1_555 |
76 |
24 |
15103 |
684.5 |
-6.2 |
0.574 |
16 |
0 |
0 |
1.000 |
18 |
|
L |
74 |
8 |
2848 |
◊ |
D |
x,y,z |
1_555 |
84 |
26 |
14959 |
677.6 |
-7.3 |
0.554 |
18 |
0 |
0 |
1.000 |
19 |
|
P |
75 |
8 |
2851 |
◊ |
H |
x,y,z |
1_555 |
82 |
27 |
14996 |
672.7 |
-5.5 |
0.615 |
17 |
0 |
0 |
1.000 |
20 |
|
M |
70 |
8 |
2855 |
◊ |
E |
x,y,z |
1_555 |
80 |
26 |
15027 |
661.6 |
-6.8 |
0.534 |
14 |
0 |
0 |
1.000 |
| Average: |
674.1 |
-6.4 |
0.569 |
16 |
0 |
0 |
1.000 |
| 6 |
21 |
|
J |
60 |
13 |
3081 |
◊ |
I |
x,y,z |
1_555 |
58 |
13 |
3070 |
563.4 |
-8.7 |
0.644 |
32 |
0 |
0 |
1.000 |
22 |
|
Y |
57 |
13 |
3007 |
◊ |
X |
x,y,z |
1_555 |
57 |
13 |
2960 |
546.5 |
-6.5 |
0.695 |
39 |
0 |
0 |
1.000 |
| Average: |
555.0 |
-7.6 |
0.669 |
36 |
0 |
0 |
1.000 |
| 7 |
23 |
|
L |
60 |
12 |
2848 |
◊ |
K |
x,y,z |
1_555 |
61 |
13 |
3079 |
563.0 |
-8.8 |
0.624 |
32 |
0 |
0 |
1.000 |
24 |
|
P |
58 |
12 |
2851 |
◊ |
O |
x,y,z |
1_555 |
62 |
13 |
3076 |
558.3 |
-8.9 |
0.609 |
30 |
0 |
0 |
1.000 |
25 |
|
Z |
58 |
12 |
2769 |
◊ |
V |
x,y,z |
1_555 |
53 |
13 |
2994 |
544.7 |
-8.2 |
0.587 |
37 |
0 |
0 |
1.000 |
| Average: |
555.3 |
-8.6 |
0.607 |
33 |
0 |
0 |
1.000 |
| 8 |
26 |
|
R |
55 |
12 |
2786 |
◊ |
S |
x,y,z |
1_555 |
52 |
13 |
2999 |
540.7 |
-5.1 |
0.701 |
37 |
0 |
0 |
1.000 |
| 9 |
27 |
|
N |
55 |
12 |
2852 |
◊ |
M |
x,y,z |
1_555 |
58 |
12 |
2855 |
537.4 |
-9.1 |
0.543 |
31 |
0 |
0 |
1.000 |
| 10 |
28 |
|
E |
48 |
16 |
15027 |
◊ |
B |
x,y,z |
1_555 |
53 |
16 |
14803 |
478.6 |
-3.6 |
0.279 |
1 |
0 |
0 |
0.115 |
29 |
|
F |
53 |
16 |
15103 |
◊ |
A |
x,y,z |
1_555 |
52 |
16 |
15032 |
477.1 |
-4.2 |
0.266 |
1 |
0 |
0 |
0.115 |
30 |
|
H |
51 |
15 |
14996 |
◊ |
D |
x,y,z |
1_555 |
51 |
15 |
14959 |
455.2 |
-3.1 |
0.338 |
0 |
0 |
0 |
0.115 |
31 |
|
G |
52 |
16 |
14819 |
◊ |
C |
x,y,z |
1_555 |
51 |
16 |
14995 |
445.6 |
-3.2 |
0.318 |
1 |
0 |
0 |
0.115 |
| Average: |
464.1 |
-3.5 |
0.300 |
1 |
0 |
0 |
0.115 |
| 11 |
32 |
|
G |
53 |
13 |
14819 |
◊ |
D |
x,y,z |
1_555 |
53 |
13 |
14959 |
462.1 |
-6.2 |
0.132 |
1 |
0 |
0 |
0.204 |
33 |
|
E |
54 |
12 |
15027 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
15032 |
454.9 |
-5.9 |
0.151 |
3 |
0 |
0 |
0.204 |
34 |
|
F |
54 |
13 |
15103 |
◊ |
B |
x,y,z |
1_555 |
58 |
17 |
14803 |
450.6 |
-6.3 |
0.138 |
2 |
0 |
0 |
0.204 |
35 |
|
H |
53 |
14 |
14996 |
◊ |
C |
x,y,z |
1_555 |
56 |
12 |
14995 |
445.1 |
-6.0 |
0.143 |
5 |
0 |
0 |
0.204 |
| Average: |
453.2 |
-6.1 |
0.141 |
3 |
0 |
0 |
0.204 |
| 12 |
36 |
|
G |
41 |
14 |
14819 |
◊ |
A |
x-1,y,z-1 |
1_454 |
41 |
13 |
15032 |
362.6 |
-1.3 |
0.462 |
4 |
0 |
0 |
0.000 |
37 |
|
H |
39 |
12 |
14996 |
◊ |
B |
x-1,y,z-1 |
1_454 |
37 |
12 |
14803 |
337.5 |
-1.2 |
0.461 |
2 |
0 |
0 |
0.000 |
| Average: |
350.1 |
-1.2 |
0.462 |
3 |
0 |
0 |
0.000 |
| 13 |
38 |
|
D |
41 |
15 |
14959 |
◊ |
A |
x-1,y,z |
1_455 |
39 |
13 |
15032 |
323.2 |
0.9 |
0.675 |
2 |
2 |
0 |
0.000 |
| 14 |
39 |
|
E |
37 |
14 |
15027 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
33 |
12 |
15032 |
297.6 |
5.8 |
0.889 |
5 |
1 |
0 |
0.000 |
| 15 |
40 |
|
H |
30 |
9 |
14996 |
◊ |
F |
x,y,z |
1_555 |
27 |
9 |
15103 |
243.1 |
1.2 |
0.489 |
4 |
0 |
0 |
0.000 |
| 16 |
41 |
|
E |
32 |
8 |
15027 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
26 |
7 |
14995 |
229.6 |
0.5 |
0.628 |
2 |
5 |
0 |
0.000 |
| 17 |
42 |
|
E |
28 |
9 |
15027 |
◊ |
D |
x,y,z-1 |
1_554 |
28 |
10 |
14959 |
218.5 |
0.9 |
0.671 |
3 |
0 |
0 |
0.000 |
43 |
|
F |
19 |
6 |
15103 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
8 |
14995 |
157.0 |
-2.3 |
0.257 |
0 |
0 |
0 |
0.000 |
| Average: |
187.8 |
-0.7 |
0.464 |
2 |
0 |
0 |
0.000 |
| 18 |
44 |
|
B |
26 |
8 |
14803 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
27 |
9 |
15103 |
208.0 |
1.5 |
0.730 |
1 |
0 |
0 |
0.000 |
| 19 |
45 |
|
H |
29 |
9 |
14996 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
30 |
11 |
14995 |
204.3 |
5.2 |
0.912 |
2 |
1 |
0 |
0.000 |
| 20 |
46 |
|
Y |
22 |
3 |
3007 |
◊ |
H |
x,y,z |
1_555 |
27 |
6 |
14996 |
194.0 |
-0.9 |
0.628 |
1 |
0 |
0 |
0.000 |
| 21 |
47 |
|
V |
18 |
5 |
2994 |
◊ |
D |
x,y,z |
1_555 |
23 |
7 |
14959 |
179.7 |
-0.9 |
0.576 |
2 |
0 |
0 |
0.000 |
| 22 |
48 |
|
R |
23 |
5 |
2786 |
◊ |
F |
x,y,z |
1_555 |
17 |
6 |
15103 |
169.2 |
-2.6 |
0.468 |
3 |
0 |
0 |
0.000 |
| 23 |
49 |
|
B |
17 |
5 |
14803 |
◊ |
G |
-x-1,y-1/2,-z |
2_445 |
15 |
5 |
14819 |
167.9 |
-2.6 |
0.159 |
2 |
0 |
0 |
0.000 |
| 24 |
50 |
|
Y |
21 |
5 |
3007 |
◊ |
G |
-x-1,y-1/2,-z |
2_445 |
20 |
6 |
14819 |
153.6 |
-2.2 |
0.563 |
1 |
0 |
0 |
0.000 |
| 25 |
51 |
|
H |
18 |
4 |
14996 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
18 |
4 |
15032 |
153.3 |
-1.1 |
0.416 |
6 |
0 |
0 |
0.000 |
| 26 |
52 |
|
X |
20 |
3 |
2960 |
◊ |
R |
-x,y-1/2,-z |
2_545 |
17 |
2 |
2786 |
150.6 |
-0.3 |
0.625 |
2 |
0 |
0 |
0.000 |
| 27 |
53 |
|
H |
15 |
4 |
14996 |
◊ |
R |
x-1,y,z |
1_455 |
18 |
3 |
2786 |
149.4 |
-3.3 |
0.253 |
2 |
0 |
0 |
0.004 |
| 28 |
54 |
|
Z |
17 |
2 |
2769 |
◊ |
Y |
x,y,z |
1_555 |
19 |
3 |
3007 |
148.7 |
-1.4 |
0.541 |
1 |
0 |
0 |
0.000 |
| 29 |
55 |
|
X |
17 |
2 |
2960 |
◊ |
V |
x,y,z |
1_555 |
22 |
3 |
2994 |
148.7 |
-0.2 |
0.660 |
2 |
0 |
0 |
0.000 |
56 |
|
Y |
16 |
2 |
3007 |
◊ |
S |
-x,y-1/2,-z |
2_545 |
19 |
3 |
2999 |
145.8 |
-0.8 |
0.587 |
2 |
0 |
0 |
0.000 |
| Average: |
147.3 |
-0.5 |
0.623 |
2 |
0 |
0 |
0.000 |
| 30 |
57 |
|
C |
18 |
3 |
14995 |
◊ |
S |
x-1,y,z |
1_455 |
17 |
3 |
2999 |
141.4 |
-2.7 |
0.355 |
1 |
0 |
0 |
0.003 |
| 31 |
58 |
|
D |
21 |
9 |
14959 |
◊ |
G |
-x-1,y-1/2,-z |
2_445 |
22 |
7 |
14819 |
133.2 |
1.4 |
0.711 |
1 |
2 |
0 |
0.000 |
| 32 |
59 |
|
Z |
18 |
4 |
2769 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
14996 |
122.1 |
-0.7 |
0.560 |
2 |
0 |
0 |
0.000 |
| 33 |
60 |
|
E |
15 |
3 |
15027 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
20 |
3 |
3070 |
120.5 |
-1.4 |
0.490 |
0 |
0 |
0 |
0.000 |
| 34 |
61 |
|
X |
10 |
2 |
2960 |
◊ |
G |
-x-1,y-1/2,-z |
2_445 |
11 |
4 |
14819 |
110.1 |
2.1 |
0.788 |
4 |
0 |
0 |
0.000 |
| 35 |
62 |
|
R |
13 |
1 |
2786 |
◊ |
V |
-x,y-1/2,-z |
2_545 |
13 |
1 |
2994 |
105.8 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
| 36 |
63 |
|
S |
14 |
3 |
2999 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
15103 |
103.8 |
0.6 |
0.673 |
1 |
0 |
0 |
0.000 |
| 37 |
64 |
|
V |
15 |
4 |
2994 |
◊ |
G |
x,y,z |
1_555 |
13 |
3 |
14819 |
101.8 |
-1.9 |
0.454 |
0 |
0 |
0 |
0.000 |
| 38 |
65 |
|
S |
16 |
3 |
2999 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15032 |
99.7 |
2.6 |
0.879 |
1 |
0 |
0 |
0.000 |
| 39 |
66 |
|
X |
11 |
3 |
2960 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
3 |
15032 |
97.4 |
-2.3 |
0.368 |
0 |
0 |
0 |
0.000 |
| 40 |
67 |
|
S |
14 |
1 |
2999 |
◊ |
Z |
-x,y-1/2,-z |
2_545 |
11 |
1 |
2769 |
96.1 |
1.6 |
0.717 |
0 |
0 |
0 |
0.000 |
| 41 |
68 |
|
Z |
13 |
3 |
2769 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
14959 |
88.7 |
-2.8 |
0.246 |
0 |
0 |
0 |
0.000 |
| 42 |
69 |
|
Z |
10 |
1 |
2769 |
◊ |
X |
x,y,z |
1_555 |
10 |
1 |
2960 |
88.3 |
4.2 |
0.919 |
0 |
0 |
0 |
0.000 |
| 43 |
70 |
|
V |
10 |
3 |
2994 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
14995 |
85.3 |
-2.0 |
0.446 |
2 |
0 |
0 |
0.000 |
| 44 |
71 |
|
G |
11 |
2 |
14819 |
◊ |
S |
x-1,y,z |
1_455 |
11 |
1 |
2999 |
85.2 |
0.3 |
0.432 |
0 |
0 |
0 |
0.000 |
| 45 |
72 |
|
V |
11 |
3 |
2994 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
15027 |
84.8 |
1.0 |
0.512 |
0 |
0 |
0 |
0.000 |
| 46 |
73 |
|
Y |
10 |
1 |
3007 |
◊ |
R |
-x,y-1/2,-z |
2_545 |
10 |
1 |
2786 |
84.7 |
4.1 |
0.921 |
0 |
0 |
0 |
0.000 |
| 47 |
74 |
|
Z |
13 |
3 |
2769 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
15027 |
81.7 |
0.2 |
0.672 |
2 |
0 |
0 |
0.000 |
| 48 |
75 |
|
R |
13 |
3 |
2786 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
15027 |
72.7 |
-0.4 |
0.653 |
1 |
0 |
0 |
0.000 |
| 49 |
76 |
|
P |
15 |
2 |
2851 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
7 |
2 |
14995 |
72.5 |
0.3 |
0.631 |
0 |
0 |
0 |
0.000 |
| 50 |
77 |
|
E |
7 |
3 |
15027 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
7 |
2 |
14803 |
67.0 |
-0.7 |
0.361 |
0 |
0 |
0 |
0.000 |
78 |
|
G |
6 |
2 |
14819 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
8 |
3 |
14995 |
61.4 |
0.5 |
0.698 |
2 |
1 |
0 |
0.000 |
| Average: |
64.2 |
-0.1 |
0.529 |
1 |
1 |
0 |
0.000 |
| 51 |
79 |
|
R |
10 |
3 |
2786 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14803 |
66.4 |
-3.0 |
0.179 |
0 |
0 |
0 |
0.000 |
| 52 |
80 |
|
X |
6 |
3 |
2960 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
14803 |
65.9 |
-0.5 |
0.531 |
1 |
0 |
0 |
0.000 |
| 53 |
81 |
|
Y |
8 |
2 |
3007 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
15027 |
58.5 |
-0.7 |
0.581 |
1 |
0 |
0 |
0.000 |
| 54 |
82 |
|
Z |
10 |
3 |
2769 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
14995 |
56.7 |
-2.1 |
0.254 |
0 |
0 |
0 |
0.000 |
| 55 |
83 |
|
K |
8 |
2 |
3079 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
15032 |
49.9 |
-0.6 |
0.588 |
0 |
0 |
0 |
0.000 |
| 56 |
84 |
|
S |
7 |
1 |
2999 |
◊ |
V |
-x,y-1/2,-z |
2_545 |
6 |
1 |
2994 |
47.2 |
1.8 |
0.787 |
0 |
0 |
0 |
0.000 |
| 57 |
85 |
|
Z |
7 |
3 |
2769 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
15103 |
46.5 |
-0.9 |
0.454 |
1 |
0 |
0 |
0.000 |
| 58 |
86 |
|
Y |
7 |
4 |
3007 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14803 |
44.3 |
-2.2 |
0.345 |
0 |
0 |
0 |
0.000 |
| 59 |
87 |
|
C |
6 |
2 |
14995 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
15032 |
44.0 |
1.0 |
0.770 |
1 |
1 |
0 |
0.000 |
| 60 |
88 |
|
X |
9 |
3 |
2960 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
14996 |
43.7 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
| 61 |
89 |
|
Y |
10 |
2 |
3007 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
4 |
3 |
15032 |
41.9 |
-0.1 |
0.671 |
3 |
0 |
0 |
0.000 |
| 62 |
90 |
|
X |
4 |
2 |
2960 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
4 |
2 |
15103 |
41.4 |
0.2 |
0.636 |
1 |
0 |
0 |
0.000 |
| 63 |
91 |
|
Y |
4 |
2 |
3007 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
6 |
2 |
14995 |
39.2 |
-2.0 |
0.287 |
0 |
0 |
0 |
0.000 |
| 64 |
92 |
|
M |
6 |
2 |
2855 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
14996 |
36.2 |
-1.3 |
0.324 |
0 |
0 |
0 |
0.000 |
| 65 |
93 |
|
X |
8 |
2 |
2960 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
14959 |
34.4 |
-0.6 |
0.591 |
0 |
0 |
0 |
0.000 |
| 66 |
94 |
|
O |
6 |
1 |
3076 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
5 |
4 |
14995 |
31.3 |
0.3 |
0.630 |
0 |
0 |
0 |
0.000 |
| 67 |
95 |
|
D |
4 |
1 |
14959 |
◊ |
R |
x-1,y,z |
1_455 |
6 |
2 |
2786 |
31.3 |
-1.7 |
0.284 |
0 |
0 |
0 |
0.002 |
| 68 |
96 |
|
V |
3 |
2 |
2994 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
15103 |
29.7 |
-1.1 |
0.393 |
0 |
0 |
0 |
0.000 |
| 69 |
97 |
|
E |
2 |
1 |
15027 |
◊ |
V |
-x,y-1/2,-z |
2_545 |
5 |
1 |
2994 |
25.8 |
0.3 |
0.695 |
1 |
0 |
0 |
0.000 |
| 70 |
98 |
|
R |
3 |
2 |
2786 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
15032 |
25.5 |
0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
| 71 |
99 |
|
S |
1 |
1 |
2999 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
15027 |
23.8 |
-1.5 |
0.233 |
1 |
0 |
0 |
0.000 |
| 72 |
100 |
|
H |
4 |
2 |
14996 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
15027 |
23.8 |
0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
| 73 |
101 |
|
Y |
3 |
2 |
3007 |
◊ |
V |
x,y,z |
1_555 |
3 |
2 |
2994 |
23.2 |
-1.9 |
0.299 |
0 |
0 |
0 |
0.000 |
102 |
|
X |
3 |
2 |
2960 |
◊ |
S |
-x,y-1/2,-z |
2_545 |
3 |
2 |
2999 |
20.5 |
-2.2 |
0.277 |
0 |
0 |
0 |
0.000 |
| Average: |
21.8 |
-2.1 |
0.288 |
0 |
0 |
0 |
0.000 |
| 74 |
103 |
|
S |
3 |
1 |
2999 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
14995 |
21.3 |
-0.5 |
0.519 |
1 |
0 |
0 |
0.000 |
| 75 |
104 |
|
G |
3 |
2 |
14819 |
◊ |
R |
x-1,y,z |
1_455 |
4 |
1 |
2786 |
16.1 |
-0.5 |
0.517 |
0 |
0 |
0 |
0.000 |
| 76 |
105 |
|
V |
2 |
2 |
2994 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14996 |
13.0 |
-0.5 |
0.433 |
0 |
0 |
0 |
0.000 |
| 77 |
106 |
|
R |
3 |
1 |
2786 |
◊ |
Z |
-x,y-1/2,-z |
2_545 |
3 |
1 |
2769 |
10.3 |
-0.8 |
0.393 |
0 |
0 |
0 |
0.000 |
| 78 |
107 |
|
L |
1 |
1 |
2848 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14803 |
4.2 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
| 79 |
108 |
|
E |
2 |
1 |
15027 |
◊ |
Z |
-x,y-1/2,-z |
2_545 |
2 |
2 |
2769 |
3.4 |
-0.1 |
0.497 |
0 |
0 |
0 |
0.000 |
| 80 |
109 |
|
D |
1 |
1 |
14959 |
◊ |
O |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
3076 |
1.5 |
0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
| 81 |
110 |
|
C |
1 |
1 |
14995 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14803 |
1.5 |
0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
| 82 |
111 |
|
Z |
1 |
1 |
2769 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15032 |
1.4 |
-0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
| 83 |
112 |
|
B |
1 |
1 |
14803 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
14995 |
0.8 |
0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
|