| ## |
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 |
|
Q |
155 |
38 |
10563 |
◊ |
E |
x,y,z |
1_555 |
142 |
39 |
9454 |
1447.9 |
-28.7 |
0.014 |
13 |
4 |
0 |
0.309 |
2 |
|
V |
153 |
38 |
10702 |
◊ |
J |
x,y,z |
1_555 |
142 |
37 |
9491 |
1446.1 |
-28.3 |
0.014 |
12 |
4 |
0 |
0.309 |
3 |
|
S |
155 |
39 |
10493 |
◊ |
G |
x,y,z |
1_555 |
141 |
39 |
9514 |
1444.7 |
-28.5 |
0.012 |
12 |
5 |
0 |
0.309 |
4 |
|
X |
152 |
38 |
10619 |
◊ |
L |
x,y,z |
1_555 |
142 |
38 |
9464 |
1443.4 |
-28.5 |
0.013 |
13 |
5 |
0 |
0.309 |
5 |
|
T |
149 |
38 |
10550 |
◊ |
H |
x,y,z |
1_555 |
140 |
38 |
9444 |
1442.2 |
-28.3 |
0.011 |
12 |
4 |
0 |
0.309 |
6 |
|
P |
149 |
37 |
10590 |
◊ |
D |
x,y,z |
1_555 |
139 |
37 |
9480 |
1441.6 |
-28.4 |
0.012 |
13 |
4 |
0 |
0.309 |
7 |
|
W |
152 |
38 |
10552 |
◊ |
K |
x,y,z |
1_555 |
137 |
38 |
9455 |
1440.1 |
-27.4 |
0.015 |
12 |
5 |
0 |
0.309 |
8 |
|
M |
149 |
38 |
10513 |
◊ |
A |
x,y,z |
1_555 |
139 |
37 |
9457 |
1438.0 |
-28.3 |
0.011 |
13 |
5 |
0 |
0.309 |
9 |
|
O |
150 |
37 |
10676 |
◊ |
C |
x,y,z |
1_555 |
139 |
38 |
9471 |
1435.3 |
-27.4 |
0.014 |
12 |
4 |
0 |
0.309 |
10 |
|
N |
147 |
38 |
10533 |
◊ |
B |
x,y,z |
1_555 |
142 |
38 |
9457 |
1432.6 |
-27.6 |
0.015 |
12 |
3 |
0 |
0.309 |
11 |
|
R |
153 |
37 |
10583 |
◊ |
F |
x,y,z |
1_555 |
138 |
36 |
9471 |
1432.0 |
-28.0 |
0.015 |
13 |
5 |
0 |
0.309 |
12 |
|
U |
146 |
38 |
10631 |
◊ |
I |
x,y,z |
1_555 |
138 |
36 |
9470 |
1431.0 |
-29.5 |
0.007 |
12 |
5 |
0 |
0.309 |
| Average: |
1439.6 |
-28.2 |
0.013 |
12 |
4 |
0 |
0.309 |
| 2 |
13 |
|
J |
107 |
29 |
9491 |
◊ |
G |
x,y,z |
1_555 |
104 |
29 |
9514 |
966.0 |
-7.9 |
0.547 |
17 |
13 |
0 |
0.229 |
14 |
|
F |
103 |
29 |
9471 |
◊ |
C |
x,y,z |
1_555 |
104 |
29 |
9471 |
957.0 |
-8.2 |
0.533 |
16 |
13 |
0 |
0.229 |
15 |
|
D |
106 |
29 |
9480 |
◊ |
A |
x,y,z |
1_555 |
102 |
29 |
9457 |
956.5 |
-8.6 |
0.500 |
12 |
14 |
0 |
0.229 |
16 |
|
E |
104 |
29 |
9454 |
◊ |
B |
x,y,z |
1_555 |
103 |
29 |
9457 |
955.1 |
-8.3 |
0.527 |
16 |
13 |
0 |
0.229 |
17 |
|
K |
103 |
29 |
9455 |
◊ |
H |
x,y,z |
1_555 |
105 |
29 |
9444 |
954.3 |
-8.5 |
0.524 |
16 |
14 |
0 |
0.229 |
18 |
|
L |
103 |
29 |
9464 |
◊ |
I |
x,y,z |
1_555 |
102 |
29 |
9470 |
952.8 |
-8.3 |
0.525 |
15 |
13 |
0 |
0.229 |
| Average: |
957.0 |
-8.3 |
0.526 |
15 |
13 |
0 |
0.229 |
| 3 |
19 |
|
[PEB]R:188 |
43 |
1 |
923 |
f |
R |
x,y,z |
1_555 |
76 |
24 |
10583 |
610.5 |
-13.0 |
0.551 |
6 |
0 |
0 |
0.167 |
20 |
|
[PEB]O:188 |
43 |
1 |
923 |
f |
O |
x,y,z |
1_555 |
73 |
24 |
10676 |
609.2 |
-12.4 |
0.560 |
6 |
0 |
0 |
0.167 |
21 |
|
[PEB]Q:188 |
43 |
1 |
921 |
f |
Q |
x,y,z |
1_555 |
72 |
23 |
10563 |
607.1 |
-12.6 |
0.546 |
7 |
0 |
0 |
0.167 |
22 |
|
[PEB]N:188 |
43 |
1 |
923 |
f |
N |
x,y,z |
1_555 |
71 |
23 |
10533 |
606.8 |
-12.4 |
0.544 |
6 |
0 |
0 |
0.167 |
23 |
|
[PEB]W:188 |
43 |
1 |
923 |
f |
W |
x,y,z |
1_555 |
71 |
23 |
10552 |
605.0 |
-12.5 |
0.547 |
6 |
0 |
0 |
0.167 |
24 |
|
[PEB]U:188 |
43 |
1 |
919 |
f |
U |
x,y,z |
1_555 |
70 |
23 |
10631 |
605.0 |
-12.7 |
0.526 |
7 |
0 |
0 |
0.167 |
25 |
|
[PEB]V:188 |
43 |
1 |
921 |
f |
V |
x,y,z |
1_555 |
74 |
24 |
10702 |
605.0 |
-12.8 |
0.542 |
6 |
0 |
0 |
0.167 |
26 |
|
[PEB]T:188 |
43 |
1 |
917 |
f |
T |
x,y,z |
1_555 |
71 |
23 |
10550 |
603.6 |
-12.9 |
0.505 |
7 |
0 |
0 |
0.167 |
27 |
|
[PEB]S:188 |
43 |
1 |
909 |
f |
S |
x,y,z |
1_555 |
72 |
23 |
10493 |
597.3 |
-13.3 |
0.484 |
5 |
0 |
0 |
0.167 |
28 |
|
[PEB]P:188 |
43 |
1 |
909 |
f |
P |
x,y,z |
1_555 |
70 |
23 |
10590 |
594.9 |
-13.1 |
0.523 |
5 |
0 |
0 |
0.167 |
| Average: |
604.4 |
-12.8 |
0.533 |
6 |
0 |
0 |
0.167 |
| 4 |
29 |
|
[PEB]Q:186 |
41 |
1 |
916 |
f |
Q |
x,y,z |
1_555 |
70 |
26 |
10563 |
594.2 |
-12.5 |
0.572 |
8 |
0 |
0 |
0.165 |
30 |
|
[PEB]N:186 |
41 |
1 |
920 |
f |
N |
x,y,z |
1_555 |
70 |
27 |
10533 |
592.0 |
-12.3 |
0.587 |
7 |
0 |
0 |
0.165 |
31 |
|
[PEB]O:186 |
41 |
1 |
913 |
f |
O |
x,y,z |
1_555 |
68 |
27 |
10676 |
590.3 |
-12.2 |
0.592 |
8 |
0 |
0 |
0.165 |
32 |
|
[PEB]P:186 |
41 |
1 |
914 |
f |
P |
x,y,z |
1_555 |
67 |
25 |
10590 |
589.2 |
-12.3 |
0.568 |
9 |
0 |
0 |
0.165 |
33 |
|
[PEB]T:186 |
41 |
1 |
912 |
f |
T |
x,y,z |
1_555 |
72 |
27 |
10550 |
589.2 |
-12.3 |
0.565 |
9 |
0 |
0 |
0.165 |
34 |
|
[PEB]X:186 |
41 |
1 |
915 |
f |
X |
x,y,z |
1_555 |
70 |
25 |
10619 |
589.1 |
-12.6 |
0.576 |
7 |
0 |
0 |
0.165 |
35 |
|
[PEB]V:186 |
41 |
1 |
911 |
f |
V |
x,y,z |
1_555 |
71 |
26 |
10702 |
589.0 |
-12.1 |
0.603 |
7 |
0 |
0 |
0.165 |
36 |
|
[PEB]U:186 |
41 |
1 |
915 |
f |
U |
x,y,z |
1_555 |
68 |
25 |
10631 |
588.7 |
-12.3 |
0.580 |
6 |
0 |
0 |
0.165 |
37 |
|
[PEB]M:186 |
41 |
1 |
914 |
f |
M |
x,y,z |
1_555 |
68 |
25 |
10513 |
588.5 |
-12.4 |
0.571 |
9 |
0 |
0 |
0.165 |
38 |
|
[PEB]W:186 |
41 |
1 |
916 |
f |
W |
x,y,z |
1_555 |
69 |
26 |
10552 |
587.7 |
-12.1 |
0.595 |
7 |
0 |
0 |
0.165 |
39 |
|
[PEB]R:186 |
42 |
1 |
914 |
f |
R |
x,y,z |
1_555 |
69 |
26 |
10583 |
585.2 |
-12.4 |
0.600 |
8 |
0 |
0 |
0.165 |
40 |
|
[PEB]S:186 |
42 |
1 |
907 |
f |
S |
x,y,z |
1_555 |
69 |
27 |
10493 |
583.9 |
-12.4 |
0.578 |
8 |
0 |
0 |
0.165 |
| Average: |
588.9 |
-12.3 |
0.582 |
8 |
0 |
0 |
0.165 |
| 5 |
41 |
|
[PEB]I:166 |
42 |
1 |
914 |
f |
I |
x,y,z |
1_555 |
85 |
24 |
9470 |
565.6 |
-11.3 |
0.663 |
7 |
0 |
0 |
0.390 |
42 |
|
[PEB]E:166 |
42 |
1 |
914 |
f |
E |
x,y,z |
1_555 |
82 |
23 |
9454 |
565.5 |
-11.2 |
0.673 |
7 |
0 |
0 |
0.390 |
43 |
|
[PEB]G:166 |
42 |
1 |
913 |
f |
G |
x,y,z |
1_555 |
82 |
23 |
9514 |
565.3 |
-11.4 |
0.653 |
7 |
0 |
0 |
0.390 |
44 |
|
[PEB]F:166 |
42 |
1 |
914 |
f |
F |
x,y,z |
1_555 |
82 |
23 |
9471 |
565.3 |
-11.4 |
0.665 |
7 |
0 |
0 |
0.390 |
45 |
|
[PEB]L:166 |
42 |
1 |
919 |
f |
L |
x,y,z |
1_555 |
80 |
23 |
9464 |
565.1 |
-11.2 |
0.656 |
7 |
0 |
0 |
0.390 |
46 |
|
[PEB]B:166 |
42 |
1 |
919 |
f |
B |
x,y,z |
1_555 |
81 |
24 |
9457 |
564.9 |
-11.5 |
0.645 |
7 |
0 |
0 |
0.390 |
47 |
|
[PEB]A:166 |
42 |
1 |
919 |
f |
A |
x,y,z |
1_555 |
84 |
24 |
9457 |
564.6 |
-11.4 |
0.658 |
7 |
0 |
0 |
0.390 |
48 |
|
[PEB]K:166 |
42 |
1 |
916 |
f |
K |
x,y,z |
1_555 |
83 |
25 |
9455 |
563.4 |
-11.2 |
0.679 |
7 |
0 |
0 |
0.390 |
49 |
|
[PEB]C:166 |
42 |
1 |
913 |
f |
C |
x,y,z |
1_555 |
83 |
24 |
9471 |
563.2 |
-11.4 |
0.646 |
7 |
0 |
0 |
0.390 |
50 |
|
[PEB]H:166 |
42 |
1 |
912 |
f |
H |
x,y,z |
1_555 |
85 |
24 |
9444 |
562.5 |
-11.3 |
0.661 |
7 |
0 |
0 |
0.390 |
51 |
|
[PEB]J:166 |
42 |
1 |
913 |
f |
J |
x,y,z |
1_555 |
79 |
23 |
9491 |
561.3 |
-11.4 |
0.641 |
7 |
0 |
0 |
0.390 |
52 |
|
[PEB]D:166 |
42 |
1 |
910 |
f |
D |
x,y,z |
1_555 |
83 |
23 |
9480 |
558.2 |
-11.2 |
0.662 |
7 |
0 |
0 |
0.390 |
| Average: |
563.7 |
-11.3 |
0.658 |
7 |
0 |
0 |
0.390 |
| 6 |
53 |
|
[PEB]M:188 |
43 |
1 |
892 |
f |
M |
x,y,z |
1_555 |
68 |
22 |
10513 |
562.5 |
-14.4 |
0.356 |
5 |
0 |
0 |
0.158 |
54 |
|
[PEB]X:188 |
43 |
1 |
894 |
f |
X |
x,y,z |
1_555 |
67 |
22 |
10619 |
561.1 |
-14.2 |
0.384 |
5 |
0 |
0 |
0.158 |
| Average: |
561.8 |
-14.3 |
0.370 |
5 |
0 |
0 |
0.158 |
| 7 |
55 |
|
S |
57 |
15 |
10493 |
◊ |
Q |
x-1,y,z |
1_455 |
54 |
15 |
10563 |
528.7 |
-1.2 |
0.738 |
10 |
0 |
0 |
0.000 |
| 8 |
56 |
|
[PEB]V:187 |
42 |
1 |
904 |
f |
V |
x,y,z |
1_555 |
63 |
17 |
10702 |
466.6 |
-9.0 |
0.720 |
6 |
0 |
0 |
0.126 |
57 |
|
[PEB]S:187 |
42 |
1 |
900 |
f |
S |
x,y,z |
1_555 |
66 |
18 |
10493 |
465.6 |
-9.0 |
0.730 |
7 |
0 |
0 |
0.126 |
58 |
|
[PEB]R:187 |
42 |
1 |
903 |
f |
R |
x,y,z |
1_555 |
63 |
18 |
10583 |
465.5 |
-9.0 |
0.744 |
7 |
0 |
0 |
0.126 |
59 |
|
[PEB]X:187 |
42 |
1 |
899 |
f |
X |
x,y,z |
1_555 |
65 |
17 |
10619 |
464.5 |
-9.0 |
0.739 |
7 |
0 |
0 |
0.126 |
60 |
|
[PEB]N:187 |
42 |
1 |
900 |
f |
N |
x,y,z |
1_555 |
63 |
17 |
10533 |
462.0 |
-9.1 |
0.725 |
7 |
0 |
0 |
0.126 |
61 |
|
[PEB]O:187 |
42 |
1 |
898 |
f |
O |
x,y,z |
1_555 |
62 |
17 |
10676 |
461.4 |
-8.9 |
0.736 |
7 |
0 |
0 |
0.126 |
62 |
|
[PEB]M:187 |
42 |
1 |
900 |
f |
M |
x,y,z |
1_555 |
63 |
17 |
10513 |
460.4 |
-8.9 |
0.731 |
7 |
0 |
0 |
0.126 |
63 |
|
[PEB]T:187 |
42 |
1 |
895 |
f |
T |
x,y,z |
1_555 |
63 |
17 |
10550 |
460.3 |
-8.8 |
0.720 |
6 |
0 |
0 |
0.126 |
64 |
|
[PEB]W:187 |
42 |
1 |
898 |
f |
W |
x,y,z |
1_555 |
63 |
17 |
10552 |
460.2 |
-9.0 |
0.729 |
7 |
0 |
0 |
0.126 |
65 |
|
[PEB]U:187 |
42 |
1 |
894 |
f |
U |
x,y,z |
1_555 |
60 |
17 |
10631 |
459.2 |
-9.1 |
0.719 |
7 |
0 |
0 |
0.126 |
66 |
|
[PEB]P:187 |
42 |
1 |
898 |
f |
P |
x,y,z |
1_555 |
62 |
18 |
10590 |
458.8 |
-8.9 |
0.728 |
6 |
0 |
0 |
0.126 |
67 |
|
[PEB]Q:187 |
40 |
1 |
923 |
f |
Q |
x,y,z |
1_555 |
63 |
17 |
10563 |
457.2 |
-9.4 |
0.689 |
6 |
0 |
0 |
0.126 |
| Average: |
461.8 |
-9.0 |
0.726 |
7 |
0 |
0 |
0.126 |
| 9 |
68 |
|
[PEB]F:167 |
39 |
1 |
886 |
f |
F |
x,y,z |
1_555 |
53 |
16 |
9471 |
448.3 |
-6.0 |
0.890 |
6 |
0 |
0 |
0.227 |
69 |
|
[PEB]D:167 |
39 |
1 |
883 |
f |
D |
x,y,z |
1_555 |
52 |
16 |
9480 |
447.5 |
-6.0 |
0.888 |
6 |
0 |
0 |
0.227 |
70 |
|
[PEB]G:167 |
39 |
1 |
883 |
f |
G |
x,y,z |
1_555 |
51 |
16 |
9514 |
447.0 |
-5.9 |
0.885 |
6 |
0 |
0 |
0.227 |
71 |
|
[PEB]L:167 |
39 |
1 |
886 |
f |
L |
x,y,z |
1_555 |
52 |
16 |
9464 |
446.3 |
-5.9 |
0.890 |
5 |
0 |
0 |
0.227 |
72 |
|
[PEB]J:167 |
39 |
1 |
888 |
f |
J |
x,y,z |
1_555 |
49 |
16 |
9491 |
445.6 |
-6.1 |
0.886 |
5 |
0 |
0 |
0.227 |
73 |
|
[PEB]E:167 |
39 |
1 |
882 |
f |
E |
x,y,z |
1_555 |
50 |
15 |
9454 |
444.5 |
-6.0 |
0.887 |
6 |
0 |
0 |
0.227 |
74 |
|
[PEB]K:167 |
38 |
1 |
882 |
f |
K |
x,y,z |
1_555 |
49 |
16 |
9455 |
444.1 |
-6.0 |
0.876 |
5 |
0 |
0 |
0.227 |
75 |
|
[PEB]B:167 |
39 |
1 |
883 |
f |
B |
x,y,z |
1_555 |
52 |
17 |
9457 |
443.9 |
-6.1 |
0.879 |
6 |
0 |
0 |
0.227 |
76 |
|
[PEB]A:167 |
38 |
1 |
888 |
f |
A |
x,y,z |
1_555 |
47 |
15 |
9457 |
443.0 |
-5.9 |
0.879 |
5 |
0 |
0 |
0.227 |
77 |
|
[PEB]I:167 |
39 |
1 |
882 |
f |
I |
x,y,z |
1_555 |
49 |
16 |
9470 |
441.2 |
-6.1 |
0.882 |
6 |
0 |
0 |
0.227 |
78 |
|
[PEB]C:167 |
39 |
1 |
886 |
f |
C |
x,y,z |
1_555 |
48 |
16 |
9471 |
441.0 |
-5.7 |
0.892 |
5 |
0 |
0 |
0.227 |
79 |
|
[PEB]H:167 |
39 |
1 |
879 |
f |
H |
x,y,z |
1_555 |
50 |
16 |
9444 |
439.7 |
-6.0 |
0.886 |
6 |
0 |
0 |
0.227 |
| Average: |
444.3 |
-6.0 |
0.885 |
6 |
0 |
0 |
0.227 |
| 10 |
80 |
|
X |
44 |
13 |
10619 |
◊ |
K |
x,y,z |
1_555 |
57 |
17 |
9455 |
444.0 |
-4.8 |
0.360 |
4 |
0 |
0 |
0.072 |
81 |
|
O |
45 |
14 |
10676 |
◊ |
A |
x,y,z |
1_555 |
56 |
17 |
9457 |
443.6 |
-5.0 |
0.335 |
4 |
0 |
0 |
0.072 |
82 |
|
V |
44 |
13 |
10702 |
◊ |
L |
x,y,z |
1_555 |
57 |
17 |
9464 |
443.3 |
-4.9 |
0.341 |
4 |
0 |
0 |
0.072 |
83 |
|
S |
46 |
14 |
10493 |
◊ |
H |
x,y,z |
1_555 |
57 |
17 |
9444 |
442.7 |
-5.2 |
0.337 |
4 |
0 |
0 |
0.072 |
84 |
|
U |
44 |
13 |
10631 |
◊ |
G |
x,y,z |
1_555 |
58 |
17 |
9514 |
442.3 |
-4.9 |
0.349 |
4 |
0 |
0 |
0.072 |
85 |
|
W |
45 |
14 |
10552 |
◊ |
J |
x,y,z |
1_555 |
57 |
17 |
9491 |
440.4 |
-4.9 |
0.335 |
4 |
0 |
0 |
0.072 |
86 |
|
M |
47 |
13 |
10513 |
◊ |
B |
x,y,z |
1_555 |
57 |
17 |
9457 |
440.0 |
-4.8 |
0.368 |
4 |
0 |
0 |
0.072 |
87 |
|
P |
44 |
13 |
10590 |
◊ |
F |
x,y,z |
1_555 |
54 |
17 |
9471 |
439.4 |
-5.0 |
0.337 |
4 |
0 |
0 |
0.072 |
88 |
|
N |
45 |
13 |
10533 |
◊ |
C |
x,y,z |
1_555 |
59 |
17 |
9471 |
438.3 |
-5.0 |
0.334 |
4 |
0 |
0 |
0.072 |
89 |
|
T |
47 |
14 |
10550 |
◊ |
I |
x,y,z |
1_555 |
55 |
17 |
9470 |
436.9 |
-4.9 |
0.351 |
5 |
0 |
0 |
0.072 |
90 |
|
Q |
43 |
14 |
10563 |
◊ |
D |
x,y,z |
1_555 |
56 |
17 |
9480 |
436.7 |
-4.9 |
0.343 |
4 |
0 |
0 |
0.072 |
91 |
|
R |
44 |
13 |
10583 |
◊ |
E |
x,y,z |
1_555 |
57 |
17 |
9454 |
435.8 |
-5.0 |
0.341 |
4 |
0 |
0 |
0.072 |
| Average: |
440.3 |
-5.0 |
0.344 |
4 |
0 |
0 |
0.072 |
| 11 |
92 |
|
U |
51 |
14 |
10631 |
◊ |
P |
x,y,z |
1_555 |
46 |
14 |
10590 |
426.9 |
0.1 |
0.804 |
4 |
0 |
0 |
0.000 |
| 12 |
93 |
|
W |
44 |
17 |
10552 |
◊ |
H |
x,y,z |
1_555 |
41 |
14 |
9444 |
408.6 |
4.2 |
0.957 |
10 |
0 |
0 |
0.005 |
94 |
|
U |
45 |
17 |
10631 |
◊ |
L |
x,y,z |
1_555 |
41 |
13 |
9464 |
408.2 |
4.3 |
0.955 |
10 |
0 |
0 |
0.005 |
95 |
|
S |
46 |
17 |
10493 |
◊ |
J |
x,y,z |
1_555 |
41 |
14 |
9491 |
407.2 |
4.2 |
0.955 |
10 |
1 |
0 |
0.005 |
96 |
|
N |
44 |
17 |
10533 |
◊ |
E |
x,y,z |
1_555 |
40 |
13 |
9454 |
406.6 |
4.1 |
0.956 |
9 |
0 |
0 |
0.005 |
97 |
|
P |
44 |
17 |
10590 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
9457 |
404.0 |
4.2 |
0.955 |
10 |
0 |
0 |
0.005 |
98 |
|
X |
42 |
16 |
10619 |
◊ |
I |
x,y,z |
1_555 |
42 |
14 |
9470 |
399.2 |
4.1 |
0.958 |
8 |
1 |
0 |
0.005 |
99 |
|
R |
42 |
16 |
10583 |
◊ |
C |
x,y,z |
1_555 |
43 |
13 |
9471 |
395.7 |
4.2 |
0.959 |
12 |
0 |
0 |
0.005 |
100 |
|
M |
42 |
16 |
10513 |
◊ |
D |
x,y,z |
1_555 |
42 |
14 |
9480 |
395.0 |
4.3 |
0.957 |
10 |
1 |
0 |
0.005 |
101 |
|
Q |
43 |
17 |
10563 |
◊ |
B |
x,y,z |
1_555 |
41 |
14 |
9457 |
394.3 |
4.1 |
0.952 |
10 |
0 |
0 |
0.005 |
102 |
|
V |
44 |
16 |
10702 |
◊ |
G |
x,y,z |
1_555 |
42 |
13 |
9514 |
392.1 |
4.1 |
0.953 |
10 |
0 |
0 |
0.005 |
103 |
|
O |
42 |
16 |
10676 |
◊ |
F |
x,y,z |
1_555 |
44 |
14 |
9471 |
391.4 |
4.1 |
0.955 |
10 |
0 |
0 |
0.005 |
104 |
|
T |
41 |
15 |
10550 |
◊ |
K |
x,y,z |
1_555 |
42 |
14 |
9455 |
381.7 |
4.1 |
0.954 |
9 |
0 |
0 |
0.005 |
| Average: |
398.7 |
4.2 |
0.956 |
10 |
0 |
0 |
0.005 |
| 13 |
105 |
|
F |
44 |
13 |
9471 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
9457 |
393.2 |
-1.8 |
0.685 |
1 |
0 |
0 |
0.042 |
106 |
|
D |
44 |
13 |
9480 |
◊ |
B |
x,y,z |
1_555 |
44 |
13 |
9457 |
389.1 |
-1.4 |
0.710 |
2 |
0 |
0 |
0.042 |
107 |
|
L |
43 |
13 |
9464 |
◊ |
G |
x,y,z |
1_555 |
44 |
12 |
9514 |
388.9 |
-1.3 |
0.716 |
3 |
1 |
0 |
0.042 |
108 |
|
K |
44 |
15 |
9455 |
◊ |
I |
x,y,z |
1_555 |
43 |
12 |
9470 |
384.4 |
-1.5 |
0.696 |
3 |
2 |
0 |
0.042 |
109 |
|
E |
45 |
12 |
9454 |
◊ |
C |
x,y,z |
1_555 |
44 |
14 |
9471 |
382.0 |
-1.5 |
0.716 |
1 |
1 |
0 |
0.042 |
110 |
|
J |
46 |
14 |
9491 |
◊ |
H |
x,y,z |
1_555 |
42 |
12 |
9444 |
375.0 |
-2.3 |
0.637 |
1 |
1 |
0 |
0.042 |
| Average: |
385.4 |
-1.7 |
0.694 |
2 |
1 |
0 |
0.042 |
| 14 |
111 |
|
W |
35 |
14 |
10552 |
◊ |
M |
x-1,y,z+1 |
1_456 |
40 |
16 |
10513 |
317.5 |
0.2 |
0.734 |
2 |
0 |
0 |
0.000 |
112 |
|
X |
33 |
15 |
10619 |
◊ |
N |
x,y-1,z+1 |
1_546 |
31 |
12 |
10533 |
290.4 |
0.6 |
0.752 |
4 |
0 |
0 |
0.000 |
| Average: |
303.9 |
0.4 |
0.743 |
3 |
0 |
0 |
0.000 |
| 15 |
113 |
|
X |
24 |
10 |
10619 |
◊ |
O |
x,y-1,z+1 |
1_546 |
25 |
7 |
10676 |
278.2 |
-2.1 |
0.471 |
2 |
0 |
0 |
0.007 |
114 |
|
V |
29 |
9 |
10702 |
◊ |
M |
x-1,y,z+1 |
1_456 |
26 |
11 |
10513 |
275.6 |
-2.8 |
0.430 |
1 |
0 |
0 |
0.007 |
| Average: |
276.9 |
-2.4 |
0.451 |
2 |
0 |
0 |
0.007 |
| 16 |
115 |
|
[PEB]I:166 |
17 |
1 |
914 |
◊ |
T |
x,y,z |
1_555 |
25 |
8 |
10550 |
201.7 |
-4.0 |
0.563 |
0 |
0 |
0 |
0.047 |
116 |
|
[PEB]H:166 |
17 |
1 |
912 |
◊ |
S |
x,y,z |
1_555 |
26 |
8 |
10493 |
201.2 |
-4.0 |
0.561 |
1 |
0 |
0 |
0.047 |
117 |
|
[PEB]D:166 |
18 |
1 |
910 |
◊ |
Q |
x,y,z |
1_555 |
25 |
8 |
10563 |
201.1 |
-4.1 |
0.578 |
1 |
0 |
0 |
0.047 |
118 |
|
[PEB]K:166 |
16 |
1 |
916 |
◊ |
X |
x,y,z |
1_555 |
25 |
8 |
10619 |
201.1 |
-4.0 |
0.575 |
1 |
0 |
0 |
0.047 |
119 |
|
[PEB]L:166 |
17 |
1 |
919 |
◊ |
V |
x,y,z |
1_555 |
24 |
8 |
10702 |
200.4 |
-3.9 |
0.575 |
1 |
0 |
0 |
0.047 |
120 |
|
[PEB]B:166 |
18 |
1 |
919 |
◊ |
M |
x,y,z |
1_555 |
24 |
8 |
10513 |
199.8 |
-3.9 |
0.587 |
1 |
0 |
0 |
0.047 |
121 |
|
[PEB]J:166 |
17 |
1 |
913 |
◊ |
W |
x,y,z |
1_555 |
25 |
8 |
10552 |
199.5 |
-3.8 |
0.603 |
1 |
0 |
0 |
0.047 |
122 |
|
[PEB]F:166 |
17 |
1 |
914 |
◊ |
P |
x,y,z |
1_555 |
25 |
8 |
10590 |
199.2 |
-3.9 |
0.586 |
1 |
0 |
0 |
0.047 |
123 |
|
[PEB]E:166 |
17 |
1 |
914 |
◊ |
R |
x,y,z |
1_555 |
26 |
8 |
10583 |
198.8 |
-3.9 |
0.602 |
1 |
0 |
0 |
0.047 |
124 |
|
[PEB]G:166 |
18 |
1 |
913 |
◊ |
U |
x,y,z |
1_555 |
24 |
8 |
10631 |
198.8 |
-3.9 |
0.586 |
1 |
0 |
0 |
0.047 |
125 |
|
[PEB]A:166 |
17 |
1 |
919 |
◊ |
O |
x,y,z |
1_555 |
24 |
8 |
10676 |
198.3 |
-3.8 |
0.587 |
1 |
0 |
0 |
0.047 |
126 |
|
[PEB]C:166 |
17 |
1 |
913 |
◊ |
N |
x,y,z |
1_555 |
25 |
8 |
10533 |
198.0 |
-3.8 |
0.595 |
1 |
0 |
0 |
0.047 |
| Average: |
199.8 |
-3.9 |
0.583 |
1 |
0 |
0 |
0.047 |
| 17 |
127 |
|
V |
22 |
8 |
10702 |
◊ |
N |
x-1,y,z+1 |
1_456 |
18 |
8 |
10533 |
174.6 |
-1.5 |
0.525 |
1 |
0 |
0 |
0.000 |
128 |
|
W |
18 |
8 |
10552 |
◊ |
O |
x,y-1,z+1 |
1_546 |
23 |
7 |
10676 |
167.2 |
-1.8 |
0.488 |
1 |
0 |
0 |
0.000 |
| Average: |
170.9 |
-1.6 |
0.506 |
1 |
0 |
0 |
0.000 |
| 18 |
129 |
|
[MPD]W:204 |
7 |
1 |
276 |
f |
W |
x,y,z |
1_555 |
27 |
11 |
10552 |
150.2 |
-9.8 |
0.627 |
1 |
0 |
0 |
0.095 |
130 |
|
[MPD]M:204 |
7 |
1 |
274 |
f |
M |
x,y,z |
1_555 |
28 |
10 |
10513 |
137.0 |
-9.5 |
0.680 |
1 |
0 |
0 |
0.095 |
131 |
|
[MPD]Q:204 |
7 |
1 |
275 |
cf |
Q |
x,y,z |
1_555 |
23 |
10 |
10563 |
136.8 |
-9.6 |
0.642 |
1 |
0 |
0 |
0.095 |
| Average: |
141.3 |
-9.6 |
0.650 |
1 |
0 |
0 |
0.095 |
| 19 |
132 |
|
[MPD]U:204 |
7 |
1 |
279 |
f |
U |
x,y,z |
1_555 |
31 |
10 |
10631 |
150.1 |
-10.4 |
0.686 |
1 |
0 |
0 |
0.100 |
133 |
|
[MPD]R:204 |
7 |
1 |
274 |
f |
R |
x,y,z |
1_555 |
24 |
10 |
10583 |
147.4 |
-10.1 |
0.646 |
1 |
0 |
0 |
0.100 |
| Average: |
148.8 |
-10.2 |
0.666 |
1 |
0 |
0 |
0.100 |
| 20 |
134 |
|
[MPD]X:204 |
7 |
1 |
277 |
f |
X |
x,y,z |
1_555 |
32 |
10 |
10619 |
149.5 |
-10.2 |
0.694 |
2 |
0 |
0 |
0.087 |
| 21 |
135 |
|
[MPD]N:204 |
6 |
1 |
282 |
f |
N |
x,y,z |
1_555 |
26 |
11 |
10533 |
148.8 |
-9.8 |
0.583 |
1 |
0 |
0 |
0.071 |
| 22 |
136 |
|
[MPD]O:204 |
7 |
1 |
266 |
f |
O |
x,y,z |
1_555 |
31 |
10 |
10676 |
148.2 |
-9.5 |
0.670 |
0 |
0 |
0 |
0.077 |
| 23 |
137 |
|
[MPD]P:204 |
7 |
1 |
277 |
f |
P |
x,y,z |
1_555 |
27 |
10 |
10590 |
147.8 |
-10.0 |
0.651 |
1 |
0 |
0 |
0.082 |
138 |
|
[MPD]S:204 |
7 |
1 |
277 |
f |
S |
x,y,z |
1_555 |
24 |
10 |
10493 |
140.0 |
-9.8 |
0.645 |
1 |
0 |
0 |
0.082 |
| Average: |
143.9 |
-9.9 |
0.648 |
1 |
0 |
0 |
0.082 |
| 24 |
139 |
|
[MRD]V:204 |
7 |
1 |
276 |
◊ |
V |
x,y,z |
1_555 |
25 |
10 |
10702 |
137.2 |
1.9 |
0.448 |
1 |
0 |
0 |
0.000 |
| 25 |
140 |
|
[MRD]T:204 |
7 |
1 |
269 |
cf |
T |
x,y,z |
1_555 |
24 |
10 |
10550 |
136.2 |
1.5 |
0.478 |
1 |
0 |
0 |
0.000 |
| 26 |
141 |
|
J |
17 |
6 |
9491 |
◊ |
L |
x-1,y,z |
1_455 |
15 |
5 |
9464 |
129.9 |
-1.2 |
0.444 |
1 |
0 |
0 |
0.010 |
142 |
|
A |
13 |
5 |
9457 |
◊ |
C |
x,y-1,z |
1_545 |
15 |
4 |
9471 |
116.9 |
-0.8 |
0.469 |
1 |
0 |
0 |
0.010 |
143 |
|
A |
14 |
4 |
9457 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
4 |
9457 |
116.4 |
-0.9 |
0.436 |
0 |
0 |
0 |
0.010 |
144 |
|
K |
12 |
4 |
9455 |
◊ |
L |
x,y-1,z |
1_545 |
14 |
4 |
9464 |
113.5 |
-0.8 |
0.437 |
0 |
0 |
0 |
0.010 |
| Average: |
119.2 |
-0.9 |
0.447 |
1 |
0 |
0 |
0.010 |
| 27 |
145 |
|
[PEB]U:187 |
16 |
1 |
894 |
◊ |
L |
x,y,z |
1_555 |
13 |
4 |
9464 |
129.8 |
-1.4 |
0.852 |
0 |
0 |
0 |
0.014 |
146 |
|
[PEB]W:187 |
16 |
1 |
898 |
◊ |
H |
x,y,z |
1_555 |
13 |
4 |
9444 |
128.9 |
-1.5 |
0.846 |
0 |
0 |
0 |
0.014 |
147 |
|
[PEB]S:187 |
16 |
1 |
900 |
◊ |
J |
x,y,z |
1_555 |
13 |
4 |
9491 |
128.8 |
-1.5 |
0.841 |
0 |
0 |
0 |
0.014 |
148 |
|
[PEB]N:187 |
15 |
1 |
900 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
9454 |
128.7 |
-1.6 |
0.830 |
0 |
0 |
0 |
0.014 |
149 |
|
[PEB]M:187 |
16 |
1 |
900 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
9480 |
127.7 |
-1.5 |
0.844 |
0 |
0 |
0 |
0.014 |
150 |
|
[PEB]X:187 |
15 |
1 |
899 |
◊ |
I |
x,y,z |
1_555 |
13 |
4 |
9470 |
127.2 |
-1.5 |
0.831 |
0 |
0 |
0 |
0.014 |
151 |
|
[PEB]P:187 |
15 |
1 |
898 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
9457 |
126.9 |
-1.5 |
0.830 |
0 |
0 |
0 |
0.014 |
152 |
|
[PEB]O:187 |
16 |
1 |
898 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
9471 |
126.9 |
-1.4 |
0.854 |
0 |
0 |
0 |
0.014 |
153 |
|
[PEB]R:187 |
16 |
1 |
903 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
9471 |
126.6 |
-1.4 |
0.845 |
0 |
0 |
0 |
0.014 |
154 |
|
[PEB]V:187 |
15 |
1 |
904 |
◊ |
G |
x,y,z |
1_555 |
13 |
4 |
9514 |
126.0 |
-1.5 |
0.836 |
0 |
0 |
0 |
0.014 |
155 |
|
[PEB]Q:187 |
15 |
1 |
923 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
9457 |
123.1 |
-1.6 |
0.818 |
0 |
0 |
0 |
0.014 |
156 |
|
[PEB]T:187 |
16 |
1 |
895 |
◊ |
K |
x,y,z |
1_555 |
13 |
4 |
9455 |
121.4 |
-1.3 |
0.853 |
0 |
0 |
0 |
0.014 |
| Average: |
126.8 |
-1.5 |
0.840 |
0 |
0 |
0 |
0.014 |
| 28 |
157 |
|
T |
22 |
7 |
10550 |
◊ |
R |
x,y-1,z |
1_545 |
16 |
9 |
10583 |
128.5 |
2.5 |
0.880 |
1 |
0 |
0 |
0.000 |
| 29 |
158 |
|
[MPD]W:205 |
7 |
1 |
277 |
f |
W |
x,y,z |
1_555 |
17 |
6 |
10552 |
117.4 |
-5.8 |
0.902 |
2 |
0 |
0 |
0.051 |
| 30 |
159 |
|
O |
11 |
4 |
10676 |
◊ |
N |
x,y,z |
1_555 |
13 |
4 |
10533 |
109.1 |
-1.1 |
0.469 |
1 |
0 |
0 |
0.009 |
160 |
|
X |
12 |
5 |
10619 |
◊ |
W |
x,y,z |
1_555 |
12 |
4 |
10552 |
108.7 |
-1.2 |
0.453 |
1 |
0 |
0 |
0.009 |
161 |
|
N |
12 |
4 |
10533 |
◊ |
M |
x,y,z |
1_555 |
12 |
4 |
10513 |
106.7 |
-1.2 |
0.454 |
1 |
0 |
0 |
0.009 |
162 |
|
W |
13 |
4 |
10552 |
◊ |
V |
x,y,z |
1_555 |
11 |
4 |
10702 |
106.5 |
-1.0 |
0.479 |
1 |
0 |
0 |
0.009 |
163 |
|
O |
13 |
5 |
10676 |
◊ |
M |
x,y,z |
1_555 |
12 |
4 |
10513 |
105.0 |
-1.2 |
0.471 |
1 |
0 |
0 |
0.009 |
164 |
|
R |
11 |
4 |
10583 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
10590 |
104.5 |
-1.1 |
0.473 |
1 |
0 |
0 |
0.009 |
165 |
|
U |
10 |
3 |
10631 |
◊ |
S |
x,y,z |
1_555 |
12 |
4 |
10493 |
104.1 |
-1.1 |
0.436 |
1 |
0 |
0 |
0.009 |
166 |
|
X |
11 |
4 |
10619 |
◊ |
V |
x,y,z |
1_555 |
10 |
3 |
10702 |
103.0 |
-1.0 |
0.446 |
1 |
0 |
0 |
0.009 |
167 |
|
R |
10 |
3 |
10583 |
◊ |
Q |
x,y,z |
1_555 |
12 |
4 |
10563 |
101.1 |
-1.1 |
0.445 |
1 |
0 |
0 |
0.009 |
168 |
|
U |
11 |
4 |
10631 |
◊ |
T |
x,y,z |
1_555 |
8 |
3 |
10550 |
98.3 |
-0.9 |
0.421 |
1 |
0 |
0 |
0.009 |
169 |
|
T |
11 |
4 |
10550 |
◊ |
S |
x,y,z |
1_555 |
11 |
4 |
10493 |
97.9 |
-0.8 |
0.496 |
1 |
0 |
0 |
0.009 |
170 |
|
Q |
8 |
3 |
10563 |
◊ |
P |
x,y,z |
1_555 |
11 |
4 |
10590 |
95.0 |
-0.9 |
0.439 |
1 |
0 |
0 |
0.009 |
| Average: |
103.3 |
-1.1 |
0.457 |
1 |
0 |
0 |
0.009 |
| 31 |
171 |
|
H |
17 |
4 |
9444 |
◊ |
[PEB]G:167 |
x,y-1,z |
1_545 |
10 |
1 |
883 |
107.5 |
-1.7 |
0.680 |
0 |
0 |
0 |
0.000 |
172 |
|
[PEB]H:167 |
9 |
1 |
879 |
◊ |
I |
x-1,y,z |
1_455 |
15 |
4 |
9470 |
104.1 |
-0.9 |
0.787 |
0 |
0 |
0 |
0.000 |
173 |
|
D |
16 |
4 |
9480 |
◊ |
[PEB]E:167 |
x,y-1,z |
1_545 |
9 |
1 |
882 |
102.8 |
-1.2 |
0.737 |
0 |
0 |
0 |
0.000 |
174 |
|
[PEB]F:167 |
9 |
1 |
886 |
◊ |
E |
x-1,y,z |
1_455 |
16 |
4 |
9454 |
99.6 |
-0.9 |
0.782 |
0 |
0 |
0 |
0.000 |
| Average: |
103.5 |
-1.2 |
0.747 |
0 |
0 |
0 |
0.000 |
| 32 |
175 |
|
[PEB]X:188 |
10 |
1 |
894 |
◊ |
N |
x,y-1,z+1 |
1_546 |
12 |
5 |
10533 |
105.8 |
-2.2 |
0.588 |
0 |
0 |
0 |
0.000 |
176 |
|
W |
13 |
5 |
10552 |
◊ |
[PEB]M:188 |
x-1,y,z+1 |
1_456 |
11 |
1 |
892 |
105.0 |
-2.2 |
0.600 |
1 |
0 |
0 |
0.000 |
| Average: |
105.4 |
-2.2 |
0.594 |
1 |
0 |
0 |
0.001 |
| 33 |
177 |
|
[MPD]N:205 |
7 |
1 |
265 |
f |
N |
x,y,z |
1_555 |
15 |
6 |
10533 |
103.4 |
-4.8 |
0.000 |
1 |
0 |
0 |
0.037 |
| 34 |
178 |
|
[PEB]S:187 |
9 |
1 |
900 |
◊ |
G |
x,y,z |
1_555 |
16 |
5 |
9514 |
100.2 |
-1.5 |
0.689 |
1 |
0 |
0 |
0.018 |
179 |
|
[PEB]X:187 |
9 |
1 |
899 |
◊ |
L |
x,y,z |
1_555 |
13 |
5 |
9464 |
98.5 |
-1.6 |
0.656 |
1 |
0 |
0 |
0.018 |
180 |
|
[PEB]N:187 |
9 |
1 |
900 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
9457 |
98.4 |
-1.5 |
0.680 |
1 |
0 |
0 |
0.018 |
181 |
|
[PEB]O:187 |
9 |
1 |
898 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
9471 |
98.2 |
-1.6 |
0.668 |
1 |
0 |
0 |
0.018 |
182 |
|
[PEB]R:187 |
8 |
1 |
903 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
9471 |
98.1 |
-1.5 |
0.672 |
1 |
0 |
0 |
0.018 |
183 |
|
[PEB]T:187 |
9 |
1 |
895 |
◊ |
H |
x,y,z |
1_555 |
15 |
5 |
9444 |
97.4 |
-1.5 |
0.686 |
1 |
0 |
0 |
0.018 |
184 |
|
[PEB]U:187 |
9 |
1 |
894 |
◊ |
I |
x,y,z |
1_555 |
13 |
5 |
9470 |
97.1 |
-1.5 |
0.673 |
1 |
0 |
0 |
0.018 |
185 |
|
[PEB]P:187 |
9 |
1 |
898 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
9480 |
97.0 |
-1.5 |
0.682 |
1 |
0 |
0 |
0.018 |
186 |
|
[PEB]W:187 |
8 |
1 |
898 |
◊ |
K |
x,y,z |
1_555 |
13 |
5 |
9455 |
96.6 |
-1.5 |
0.651 |
1 |
0 |
0 |
0.018 |
187 |
|
[PEB]M:187 |
9 |
1 |
900 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
9457 |
96.6 |
-1.5 |
0.673 |
1 |
0 |
0 |
0.018 |
188 |
|
[PEB]Q:187 |
9 |
1 |
923 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
9454 |
96.5 |
-1.5 |
0.684 |
1 |
0 |
0 |
0.018 |
189 |
|
[PEB]V:187 |
9 |
1 |
904 |
◊ |
J |
x,y,z |
1_555 |
14 |
5 |
9491 |
96.5 |
-1.5 |
0.686 |
1 |
0 |
0 |
0.018 |
| Average: |
97.6 |
-1.5 |
0.675 |
1 |
0 |
0 |
0.018 |
| 35 |
190 |
|
[MPD]N:204 |
5 |
1 |
282 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
9457 |
94.9 |
-6.2 |
0.459 |
0 |
0 |
0 |
0.043 |
| 36 |
191 |
|
[MPD]W:204 |
5 |
1 |
276 |
◊ |
K |
x,y,z |
1_555 |
10 |
5 |
9455 |
91.0 |
-6.1 |
0.371 |
0 |
0 |
0 |
0.047 |
192 |
|
[MPD]P:204 |
5 |
1 |
277 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
9480 |
87.8 |
-5.7 |
0.493 |
0 |
0 |
0 |
0.047 |
193 |
|
[MPD]S:204 |
6 |
1 |
277 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
9514 |
87.1 |
-5.9 |
0.434 |
0 |
0 |
0 |
0.047 |
| Average: |
88.6 |
-5.9 |
0.433 |
0 |
0 |
0 |
0.047 |
| 37 |
194 |
|
[MPD]Q:204 |
5 |
1 |
275 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
9454 |
90.9 |
-6.1 |
0.429 |
0 |
0 |
0 |
0.048 |
195 |
|
[MPD]M:204 |
5 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
9457 |
90.8 |
-6.1 |
0.411 |
0 |
0 |
0 |
0.048 |
| Average: |
90.8 |
-6.1 |
0.420 |
0 |
0 |
0 |
0.048 |
| 38 |
196 |
|
[MPD]O:204 |
6 |
1 |
266 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
9471 |
90.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.049 |
| 39 |
197 |
|
[MRD]V:204 |
6 |
1 |
276 |
f |
J |
x,y,z |
1_555 |
11 |
4 |
9491 |
90.1 |
-0.3 |
0.205 |
0 |
0 |
0 |
0.003 |
| 40 |
198 |
|
[PEB]P:188 |
10 |
1 |
909 |
◊ |
U |
x,y,z |
1_555 |
7 |
3 |
10631 |
87.6 |
-1.3 |
0.494 |
0 |
0 |
0 |
0.000 |
| 41 |
199 |
|
[MRD]T:204 |
5 |
1 |
269 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
9444 |
86.4 |
-1.1 |
0.156 |
0 |
0 |
0 |
0.010 |
| 42 |
200 |
|
[FMT]J:203 |
3 |
1 |
151 |
f |
J |
x,y,z |
1_555 |
16 |
6 |
9491 |
85.2 |
0.2 |
0.460 |
1 |
0 |
0 |
0.002 |
| 43 |
201 |
|
[MPD]X:204 |
4 |
1 |
277 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
9464 |
84.3 |
-5.6 |
0.403 |
0 |
0 |
0 |
0.044 |
| 44 |
202 |
|
[FMT]P:205 |
3 |
1 |
151 |
f |
P |
x,y,z |
1_555 |
9 |
4 |
10590 |
82.4 |
-0.2 |
0.424 |
1 |
0 |
0 |
0.005 |
| 45 |
203 |
|
[FMT]H:203 |
3 |
1 |
151 |
cf |
H |
x,y,z |
1_555 |
15 |
6 |
9444 |
81.6 |
0.6 |
0.468 |
4 |
0 |
0 |
0.015 |
| 46 |
204 |
|
[FMT]U:205 |
3 |
1 |
150 |
f |
U |
x,y,z |
1_555 |
9 |
4 |
10631 |
81.5 |
-0.0 |
0.440 |
3 |
0 |
0 |
0.010 |
| 47 |
205 |
|
[MPD]U:204 |
5 |
1 |
279 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
9470 |
81.2 |
-5.4 |
0.348 |
0 |
0 |
0 |
0.042 |
206 |
|
[MPD]R:204 |
5 |
1 |
274 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
9471 |
81.0 |
-5.5 |
0.369 |
0 |
0 |
0 |
0.042 |
| Average: |
81.1 |
-5.4 |
0.358 |
0 |
0 |
0 |
0.042 |
| 48 |
207 |
|
[FMT]A:204 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
9457 |
80.9 |
0.7 |
0.759 |
3 |
0 |
0 |
0.009 |
| 49 |
208 |
|
[FMT]W:206 |
3 |
1 |
150 |
f |
W |
x,y,z |
1_555 |
8 |
3 |
10552 |
80.4 |
0.1 |
0.425 |
1 |
0 |
0 |
0.002 |
| 50 |
209 |
|
[FMT]O:205 |
3 |
1 |
150 |
f |
O |
x,y,z |
1_555 |
10 |
4 |
10676 |
80.2 |
0.4 |
0.717 |
1 |
0 |
0 |
0.000 |
| 51 |
210 |
|
[FMT]K:203 |
3 |
1 |
149 |
f |
K |
x,y,z |
1_555 |
14 |
6 |
9455 |
79.9 |
0.9 |
0.776 |
1 |
0 |
0 |
0.000 |
| 52 |
211 |
|
[FMT]V:206 |
3 |
1 |
150 |
f |
V |
x,y,z |
1_555 |
13 |
4 |
10702 |
79.4 |
0.5 |
0.723 |
2 |
0 |
0 |
0.005 |
| 53 |
212 |
|
[FMT]Q:205 |
3 |
1 |
150 |
f |
Q |
x,y,z |
1_555 |
10 |
4 |
10563 |
79.1 |
0.2 |
0.428 |
2 |
0 |
0 |
0.005 |
| 54 |
213 |
|
[FMT]V:205 |
3 |
1 |
150 |
f |
V |
x,y,z |
1_555 |
9 |
4 |
10702 |
79.0 |
0.2 |
0.429 |
0 |
0 |
0 |
0.000 |
| 55 |
214 |
|
[FMT]N:206 |
3 |
1 |
149 |
f |
N |
x,y,z |
1_555 |
9 |
3 |
10533 |
78.5 |
0.2 |
0.695 |
1 |
0 |
0 |
0.001 |
| 56 |
215 |
|
[FMT]U:206 |
3 |
1 |
149 |
f |
U |
x,y,z |
1_555 |
13 |
6 |
10631 |
77.5 |
-1.1 |
0.336 |
0 |
0 |
0 |
0.008 |
| 57 |
216 |
|
[MPD]W:205 |
4 |
1 |
277 |
◊ |
M |
x-1,y,z+1 |
1_456 |
11 |
3 |
10513 |
73.8 |
-3.5 |
0.876 |
0 |
0 |
0 |
0.000 |
| 58 |
217 |
|
[NA]Q:206 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
15 |
7 |
10563 |
70.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.073 |
| 59 |
218 |
|
X |
11 |
3 |
10619 |
◊ |
[MPD]N:205 |
x,y-1,z+1 |
1_546 |
5 |
1 |
265 |
70.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
219 |
|
G |
6 |
3 |
9514 |
◊ |
[PEB]I:167 |
x-1,y+1,z |
1_465 |
7 |
1 |
882 |
67.2 |
-2.0 |
0.371 |
0 |
0 |
0 |
0.000 |
220 |
|
F |
6 |
3 |
9471 |
◊ |
[PEB]D:167 |
x-1,y+1,z |
1_465 |
7 |
1 |
883 |
66.5 |
-1.9 |
0.373 |
0 |
0 |
0 |
0.000 |
| Average: |
66.9 |
-2.0 |
0.372 |
0 |
0 |
0 |
0.000 |
| 61 |
221 |
|
[NA]P:206 |
1 |
1 |
125 |
f |
P |
x,y,z |
1_555 |
10 |
4 |
10590 |
64.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.101 |
222 |
|
[NA]R:205 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
10 |
4 |
10583 |
63.7 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.101 |
223 |
|
[NA]V:207 |
1 |
1 |
125 |
f |
V |
x,y,z |
1_555 |
11 |
4 |
10702 |
63.1 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
63.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| 62 |
224 |
|
[FMT]A:203 |
3 |
1 |
151 |
f |
B |
x-1,y,z |
1_455 |
10 |
5 |
9457 |
63.9 |
-0.7 |
0.340 |
0 |
0 |
0 |
0.008 |
| 63 |
225 |
|
[PEB]J:167 |
6 |
1 |
888 |
◊ |
[PEB]L:167 |
x-1,y,z |
1_455 |
6 |
1 |
886 |
59.6 |
-2.3 |
0.621 |
0 |
0 |
0 |
0.018 |
226 |
|
[PEB]A:167 |
6 |
1 |
888 |
◊ |
[PEB]B:167 |
x-1,y,z |
1_455 |
5 |
1 |
883 |
59.5 |
-2.3 |
0.568 |
0 |
0 |
0 |
0.018 |
227 |
|
[PEB]A:167 |
5 |
1 |
888 |
◊ |
[PEB]C:167 |
x,y-1,z |
1_545 |
6 |
1 |
886 |
59.0 |
-2.3 |
0.561 |
0 |
0 |
0 |
0.018 |
228 |
|
[PEB]K:167 |
5 |
1 |
882 |
◊ |
[PEB]L:167 |
x,y-1,z |
1_545 |
6 |
1 |
886 |
59.0 |
-2.2 |
0.578 |
0 |
0 |
0 |
0.018 |
| Average: |
59.3 |
-2.3 |
0.582 |
0 |
0 |
0 |
0.018 |
| 64 |
229 |
|
[FMT]A:203 |
3 |
1 |
151 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
9457 |
59.4 |
0.3 |
0.675 |
0 |
0 |
0 |
0.000 |
| 65 |
230 |
|
[FMT]C:203 |
3 |
1 |
150 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
9471 |
57.8 |
0.4 |
0.741 |
1 |
0 |
0 |
0.000 |
| 66 |
231 |
|
[NA]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
9457 |
55.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.178 |
232 |
|
[NA]E:203 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
9454 |
54.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.178 |
233 |
|
[NA]I:203 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
12 |
4 |
9470 |
54.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.178 |
234 |
|
[NA]J:204 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
9491 |
53.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.178 |
235 |
|
[NA]H:204 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
14 |
4 |
9444 |
53.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.178 |
236 |
|
[NA]F:203 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
3 |
9471 |
53.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.178 |
237 |
|
[NA]C:204 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
9471 |
52.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.178 |
238 |
|
[NA]K:204 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
13 |
3 |
9455 |
52.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.178 |
239 |
|
[NA]G:203 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
14 |
4 |
9514 |
51.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.178 |
240 |
|
[NA]L:203 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
9464 |
50.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.178 |
241 |
|
[NA]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
9457 |
50.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.178 |
242 |
|
[NA]D:204 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
9480 |
48.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.178 |
| Average: |
52.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.178 |
| 67 |
243 |
|
[NA]N:207 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
11 |
4 |
10533 |
54.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.048 |
| 68 |
244 |
|
V |
9 |
4 |
10702 |
◊ |
B |
x-1,y,z+1 |
1_456 |
8 |
5 |
9457 |
52.1 |
0.8 |
0.787 |
1 |
0 |
0 |
0.000 |
245 |
|
K |
5 |
3 |
9455 |
◊ |
O |
x,y-1,z+1 |
1_546 |
4 |
3 |
10676 |
45.5 |
1.0 |
0.851 |
1 |
0 |
0 |
0.000 |
| Average: |
48.8 |
0.9 |
0.819 |
1 |
0 |
0 |
0.000 |
| 69 |
246 |
|
[PEB]U:188 |
3 |
1 |
919 |
◊ |
P |
x,y,z |
1_555 |
5 |
3 |
10590 |
47.7 |
0.5 |
0.819 |
1 |
0 |
0 |
0.000 |
| 70 |
247 |
|
F |
7 |
2 |
9471 |
◊ |
[PEB]Q:187 |
x-1,y,z |
1_455 |
5 |
1 |
923 |
47.5 |
-0.2 |
0.779 |
1 |
0 |
0 |
0.000 |
248 |
|
[PEB]T:187 |
5 |
1 |
895 |
◊ |
G |
x,y-1,z |
1_545 |
7 |
2 |
9514 |
41.3 |
-0.4 |
0.754 |
0 |
0 |
0 |
0.000 |
249 |
|
[PEB]P:187 |
5 |
1 |
898 |
◊ |
E |
x,y-1,z |
1_545 |
7 |
2 |
9454 |
37.8 |
-0.4 |
0.749 |
0 |
0 |
0 |
0.000 |
250 |
|
H |
7 |
2 |
9444 |
◊ |
[PEB]U:187 |
x-1,y,z |
1_455 |
5 |
1 |
894 |
30.5 |
-0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
| Average: |
39.3 |
-0.3 |
0.772 |
0 |
0 |
0 |
0.000 |
| 71 |
251 |
|
[CL]J:206 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
9491 |
45.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.152 |
252 |
|
[CL]B:204 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
9457 |
45.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.152 |
253 |
|
[CL]A:206 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
9471 |
45.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.152 |
254 |
|
[CL]L:204 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
9464 |
45.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.152 |
255 |
|
[CL]I:204 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
9470 |
45.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.152 |
256 |
|
[CL]C:205 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9471 |
45.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.152 |
257 |
|
[CL]A:206 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9457 |
44.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.152 |
258 |
|
[CL]L:204 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
9514 |
44.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.152 |
259 |
|
[CL]J:206 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
9444 |
44.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.152 |
260 |
|
[CL]B:204 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
9480 |
44.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.152 |
261 |
|
[CL]I:204 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
9455 |
43.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.152 |
262 |
|
[CL]C:205 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
9454 |
43.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.152 |
| Average: |
44.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.152 |
| 72 |
263 |
|
[NA]E:203 |
1 |
1 |
125 |
◊ |
N |
x,y,z |
1_555 |
6 |
2 |
10533 |
45.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.041 |
264 |
|
[NA]F:203 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
5 |
2 |
10676 |
44.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.041 |
265 |
|
[NA]K:204 |
1 |
1 |
125 |
◊ |
T |
x,y,z |
1_555 |
6 |
2 |
10550 |
44.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.041 |
266 |
|
[NA]J:204 |
1 |
1 |
125 |
◊ |
S |
x,y,z |
1_555 |
5 |
2 |
10493 |
43.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.041 |
267 |
|
[NA]A:205 |
1 |
1 |
125 |
◊ |
P |
x,y,z |
1_555 |
6 |
2 |
10590 |
43.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.041 |
268 |
|
[NA]B:203 |
1 |
1 |
125 |
◊ |
Q |
x,y,z |
1_555 |
6 |
2 |
10563 |
43.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.041 |
269 |
|
[NA]I:203 |
1 |
1 |
125 |
◊ |
X |
x,y,z |
1_555 |
4 |
2 |
10619 |
43.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.041 |
270 |
|
[NA]L:203 |
1 |
1 |
125 |
◊ |
U |
x,y,z |
1_555 |
6 |
2 |
10631 |
42.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.041 |
271 |
|
[NA]H:204 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
6 |
2 |
10552 |
42.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.041 |
272 |
|
[NA]G:203 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
5 |
2 |
10702 |
41.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.041 |
273 |
|
[NA]C:204 |
1 |
1 |
125 |
◊ |
R |
x,y,z |
1_555 |
6 |
2 |
10583 |
40.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.041 |
274 |
|
[NA]D:204 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
4 |
2 |
10513 |
36.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
42.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.041 |
| 73 |
275 |
|
[NA]J:205 |
1 |
1 |
125 |
f |
[PEB]J:167 |
x,y,z |
1_555 |
7 |
1 |
888 |
44.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.064 |
| 74 |
276 |
|
[NA]D:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
9457 |
43.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.060 |
| 75 |
277 |
|
[PEB]S:188 |
3 |
1 |
909 |
◊ |
Q |
x-1,y,z |
1_455 |
6 |
3 |
10563 |
40.8 |
0.7 |
0.878 |
0 |
0 |
0 |
0.000 |
| 76 |
278 |
|
F |
4 |
2 |
9471 |
◊ |
Q |
x-1,y,z |
1_455 |
6 |
4 |
10563 |
38.9 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
279 |
|
P |
6 |
3 |
10590 |
◊ |
E |
x,y-1,z |
1_545 |
3 |
1 |
9454 |
35.8 |
-0.7 |
0.372 |
0 |
0 |
0 |
0.000 |
280 |
|
T |
5 |
3 |
10550 |
◊ |
G |
x,y-1,z |
1_545 |
3 |
1 |
9514 |
35.0 |
-0.8 |
0.336 |
0 |
0 |
0 |
0.000 |
281 |
|
H |
3 |
2 |
9444 |
◊ |
U |
x-1,y,z |
1_455 |
6 |
4 |
10631 |
31.9 |
-0.6 |
0.424 |
0 |
0 |
0 |
0.000 |
| Average: |
35.4 |
-0.6 |
0.398 |
0 |
0 |
0 |
0.000 |
| 77 |
282 |
|
[PEB]J:167 |
6 |
1 |
888 |
◊ |
L |
x-1,y,z |
1_455 |
6 |
2 |
9464 |
34.9 |
-1.7 |
0.525 |
0 |
0 |
0 |
0.010 |
283 |
|
K |
3 |
2 |
9455 |
◊ |
[PEB]L:167 |
x,y-1,z |
1_545 |
2 |
1 |
886 |
12.3 |
-0.8 |
0.428 |
0 |
0 |
0 |
0.010 |
284 |
|
A |
3 |
2 |
9457 |
◊ |
[PEB]C:167 |
x,y-1,z |
1_545 |
2 |
1 |
886 |
10.9 |
-0.7 |
0.453 |
0 |
0 |
0 |
0.010 |
285 |
|
[PEB]A:167 |
2 |
1 |
888 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
9457 |
8.9 |
-0.6 |
0.512 |
0 |
0 |
0 |
0.010 |
| Average: |
16.8 |
-0.9 |
0.480 |
0 |
0 |
0 |
0.010 |
| 78 |
286 |
|
T |
3 |
1 |
10550 |
◊ |
[PEB]R:188 |
x,y-1,z |
1_545 |
4 |
1 |
923 |
33.7 |
0.1 |
0.778 |
1 |
0 |
0 |
0.000 |
| 79 |
287 |
|
[NA]J:205 |
1 |
1 |
125 |
◊ |
[PEB]L:167 |
x-1,y,z |
1_455 |
6 |
1 |
886 |
32.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| 80 |
288 |
|
[NA]D:203 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9480 |
31.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.032 |
| 81 |
289 |
|
[FMT]V:206 |
3 |
1 |
150 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
9491 |
31.4 |
-0.2 |
0.388 |
0 |
0 |
0 |
0.001 |
| 82 |
290 |
|
A |
2 |
1 |
9457 |
◊ |
[PEB]Q:187 |
x-1,y,z |
1_455 |
4 |
1 |
923 |
28.4 |
-0.3 |
0.387 |
0 |
0 |
0 |
0.000 |
291 |
|
[PEB]P:187 |
4 |
1 |
898 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
9471 |
21.1 |
-0.5 |
0.422 |
0 |
0 |
0 |
0.000 |
292 |
|
[PEB]T:187 |
4 |
1 |
895 |
◊ |
L |
x,y-1,z |
1_545 |
2 |
1 |
9464 |
19.2 |
-0.5 |
0.443 |
0 |
0 |
0 |
0.000 |
293 |
|
J |
1 |
1 |
9491 |
◊ |
[PEB]U:187 |
x-1,y,z |
1_455 |
3 |
1 |
894 |
12.1 |
-0.3 |
0.381 |
0 |
0 |
0 |
0.000 |
| Average: |
20.2 |
-0.4 |
0.408 |
0 |
0 |
0 |
0.000 |
| 83 |
294 |
|
[NA]D:203 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
10 |
5 |
10513 |
28.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.030 |
| 84 |
295 |
|
[PEB]V:187 |
4 |
1 |
904 |
◊ |
I |
x-1,y+1,z |
1_465 |
3 |
1 |
9470 |
27.0 |
0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
296 |
|
[PEB]O:187 |
4 |
1 |
898 |
◊ |
D |
x-1,y+1,z |
1_465 |
3 |
1 |
9480 |
22.5 |
0.3 |
0.860 |
0 |
0 |
0 |
0.000 |
| Average: |
24.7 |
0.2 |
0.846 |
0 |
0 |
0 |
0.000 |
| 85 |
297 |
|
[NA]J:205 |
1 |
1 |
125 |
◊ |
L |
x-1,y,z |
1_455 |
2 |
1 |
9464 |
21.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 86 |
298 |
|
[NA]G:203 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
9464 |
20.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.036 |
299 |
|
[NA]L:203 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
9514 |
19.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.036 |
300 |
|
[NA]A:205 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
9471 |
18.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.036 |
301 |
|
[NA]C:204 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
9454 |
16.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.036 |
302 |
|
[NA]J:204 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
9444 |
12.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.036 |
303 |
|
[NA]K:204 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
9470 |
11.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.036 |
304 |
|
[NA]D:204 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9457 |
10.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.036 |
305 |
|
[NA]H:204 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
9491 |
10.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.036 |
306 |
|
[NA]I:203 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
9455 |
8.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.036 |
307 |
|
[NA]B:203 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9480 |
6.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.036 |
308 |
|
[NA]F:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9457 |
6.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.036 |
309 |
|
[NA]E:203 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9471 |
4.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
12.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.036 |
| 87 |
310 |
|
[NA]D:204 |
1 |
1 |
125 |
◊ |
[NA]D:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| 88 |
311 |
|
[NA]J:205 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
9491 |
16.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 89 |
312 |
|
[FMT]C:203 |
2 |
1 |
150 |
◊ |
N |
x,y,z |
1_555 |
4 |
2 |
10533 |
14.3 |
0.5 |
0.678 |
0 |
0 |
0 |
0.000 |
| 90 |
313 |
|
[MPD]N:205 |
1 |
1 |
265 |
f |
[PEB]N:186 |
x,y,z |
1_555 |
1 |
1 |
920 |
13.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| 91 |
314 |
|
S |
1 |
1 |
10493 |
◊ |
R |
x-1,y,z |
1_455 |
3 |
1 |
10583 |
12.8 |
0.1 |
0.714 |
0 |
0 |
0 |
0.000 |
| 92 |
315 |
|
[NA]R:205 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
9454 |
12.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
316 |
|
[NA]V:207 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
9464 |
10.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
317 |
|
[NA]P:206 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
9471 |
8.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
10.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| 93 |
318 |
|
[MPD]W:205 |
1 |
1 |
277 |
f |
[PEB]W:186 |
x,y,z |
1_555 |
1 |
1 |
916 |
12.6 |
-1.3 |
0.431 |
0 |
0 |
0 |
0.010 |
| 94 |
319 |
|
V |
3 |
1 |
10702 |
◊ |
[NA]N:207 |
x-1,y,z+1 |
1_456 |
1 |
1 |
125 |
12.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 95 |
320 |
|
G |
2 |
1 |
9514 |
◊ |
I |
x-1,y+1,z |
1_465 |
2 |
2 |
9470 |
12.4 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
321 |
|
F |
2 |
1 |
9471 |
◊ |
D |
x-1,y+1,z |
1_465 |
2 |
2 |
9480 |
10.2 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
| Average: |
11.3 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
| 96 |
322 |
|
[NA]J:205 |
1 |
1 |
125 |
◊ |
[PEB]K:167 |
x-1,y+1,z |
1_465 |
2 |
1 |
882 |
7.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 97 |
323 |
|
S |
1 |
1 |
10493 |
◊ |
[PEB]Q:188 |
x-1,y,z |
1_455 |
3 |
1 |
921 |
7.4 |
0.4 |
0.893 |
0 |
0 |
0 |
0.000 |
| 98 |
324 |
|
[PEB]A:167 |
1 |
1 |
888 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
9471 |
6.7 |
0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
325 |
|
A |
2 |
1 |
9457 |
◊ |
[PEB]B:167 |
x-1,y,z |
1_455 |
1 |
1 |
883 |
6.4 |
0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
326 |
|
[PEB]K:167 |
1 |
1 |
882 |
◊ |
L |
x,y-1,z |
1_545 |
2 |
1 |
9464 |
5.9 |
-0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
327 |
|
J |
1 |
1 |
9491 |
◊ |
[PEB]L:167 |
x-1,y,z |
1_455 |
1 |
1 |
886 |
3.3 |
0.1 |
0.781 |
0 |
0 |
0 |
0.000 |
| Average: |
5.6 |
0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
| 99 |
328 |
|
[FMT]C:203 |
1 |
1 |
150 |
f |
O |
x,y,z |
1_555 |
1 |
1 |
10676 |
5.0 |
-0.2 |
0.335 |
0 |
0 |
0 |
0.001 |
| 100 |
329 |
|
O |
1 |
1 |
10676 |
◊ |
M |
x-1,y+1,z |
1_465 |
1 |
1 |
10513 |
4.0 |
0.1 |
0.801 |
0 |
0 |
0 |
0.000 |
330 |
|
V |
1 |
1 |
10702 |
◊ |
X |
x-1,y+1,z |
1_465 |
1 |
1 |
10619 |
2.4 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
| Average: |
3.2 |
0.1 |
0.786 |
0 |
0 |
0 |
0.000 |
| 101 |
331 |
|
[MPD]W:205 |
1 |
1 |
277 |
◊ |
[PEB]M:188 |
x-1,y,z+1 |
1_456 |
1 |
1 |
892 |
3.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 102 |
332 |
|
J |
1 |
1 |
9491 |
◊ |
[PEB]K:167 |
x-1,y+1,z |
1_465 |
1 |
1 |
882 |
3.0 |
0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
333 |
|
C |
1 |
1 |
9471 |
◊ |
[PEB]B:167 |
x-1,y+1,z |
1_465 |
1 |
1 |
883 |
1.3 |
0.1 |
0.799 |
0 |
0 |
0 |
0.000 |
| Average: |
2.2 |
0.1 |
0.808 |
0 |
0 |
0 |
0.000 |
| 103 |
334 |
|
S |
1 |
1 |
10493 |
◊ |
[NA]Q:206 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 104 |
335 |
|
[PEB]X:188 |
1 |
1 |
894 |
◊ |
[MPD]N:205 |
x,y-1,z+1 |
1_546 |
1 |
1 |
265 |
2.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 105 |
336 |
|
[NA]P:206 |
1 |
1 |
125 |
◊ |
[NA]A:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 106 |
337 |
|
[NA]R:205 |
1 |
1 |
125 |
◊ |
[NA]C:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 107 |
338 |
|
[NA]V:207 |
1 |
1 |
125 |
◊ |
[NA]G:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 108 |
339 |
|
[PEB]G:167 |
1 |
1 |
883 |
◊ |
I |
x-1,y+1,z |
1_465 |
1 |
1 |
9470 |
0.3 |
0.0 |
0.757 |
0 |
0 |
0 |
0.000 |
|