## |
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 |
|
R |
153 |
35 |
16572 |
◊ |
M |
x,y,z |
1_555 |
157 |
35 |
16540 |
1509.0 |
-23.0 |
0.012 |
23 |
2 |
1 |
1.000 |
2 |
|
H |
153 |
35 |
16547 |
◊ |
C |
x,y,z |
1_555 |
155 |
34 |
16583 |
1508.8 |
-23.1 |
0.010 |
23 |
2 |
1 |
1.000 |
3 |
|
W |
155 |
34 |
16566 |
◊ |
2 |
x,y,z |
1_555 |
153 |
34 |
16560 |
1507.9 |
-23.0 |
0.011 |
23 |
2 |
1 |
1.000 |
Average: |
1508.6 |
-23.0 |
0.011 |
23 |
2 |
1 |
1.000 |
2 |
4 |
|
1 |
86 |
21 |
7918 |
◊ |
Z |
x,y,z |
1_555 |
91 |
22 |
7578 |
833.6 |
-10.1 |
0.350 |
9 |
0 |
0 |
0.282 |
5 |
|
B |
84 |
21 |
7909 |
◊ |
A |
x,y,z |
1_555 |
90 |
22 |
7579 |
830.9 |
-10.0 |
0.344 |
10 |
0 |
0 |
0.282 |
6 |
|
L |
84 |
22 |
7913 |
◊ |
K |
x,y,z |
1_555 |
90 |
22 |
7578 |
830.6 |
-10.0 |
0.343 |
10 |
0 |
0 |
0.282 |
7 |
|
V |
86 |
22 |
7924 |
◊ |
U |
x,y,z |
1_555 |
89 |
22 |
7589 |
829.6 |
-9.9 |
0.356 |
10 |
0 |
0 |
0.282 |
8 |
|
G |
85 |
21 |
7911 |
◊ |
F |
x,y,z |
1_555 |
89 |
22 |
7586 |
828.1 |
-10.0 |
0.345 |
10 |
0 |
0 |
0.282 |
9 |
|
Q |
85 |
21 |
7907 |
◊ |
P |
x,y,z |
1_555 |
90 |
22 |
7570 |
825.4 |
-9.9 |
0.355 |
10 |
0 |
0 |
0.282 |
Average: |
829.7 |
-10.0 |
0.349 |
10 |
0 |
0 |
0.282 |
3 |
10 |
|
W |
79 |
24 |
16566 |
◊ |
U |
x,y,z |
1_555 |
83 |
22 |
7589 |
776.1 |
-7.8 |
0.319 |
7 |
1 |
0 |
0.213 |
11 |
|
H |
76 |
24 |
16547 |
◊ |
F |
x,y,z |
1_555 |
81 |
22 |
7586 |
774.6 |
-8.0 |
0.299 |
8 |
1 |
0 |
0.213 |
12 |
|
C |
78 |
24 |
16583 |
◊ |
A |
x,y,z |
1_555 |
82 |
22 |
7579 |
773.5 |
-7.6 |
0.326 |
7 |
1 |
0 |
0.213 |
13 |
|
R |
77 |
24 |
16572 |
◊ |
P |
x,y,z |
1_555 |
82 |
22 |
7570 |
772.9 |
-7.9 |
0.308 |
7 |
1 |
0 |
0.213 |
14 |
|
2 |
79 |
24 |
16560 |
◊ |
Z |
x,y,z |
1_555 |
82 |
22 |
7578 |
772.7 |
-7.8 |
0.319 |
7 |
1 |
0 |
0.213 |
15 |
|
M |
77 |
24 |
16540 |
◊ |
K |
x,y,z |
1_555 |
81 |
22 |
7578 |
771.0 |
-7.8 |
0.313 |
7 |
1 |
0 |
0.213 |
Average: |
773.5 |
-7.8 |
0.314 |
7 |
1 |
0 |
0.213 |
4 |
16 |
|
E |
76 |
24 |
14461 |
◊ |
C |
x,y,z |
1_555 |
68 |
22 |
16583 |
702.2 |
0.7 |
0.670 |
7 |
4 |
0 |
0.005 |
17 |
|
Y |
73 |
24 |
14440 |
◊ |
W |
x,y,z |
1_555 |
64 |
22 |
16566 |
690.2 |
-0.8 |
0.596 |
6 |
5 |
0 |
0.005 |
18 |
|
O |
72 |
24 |
14416 |
◊ |
M |
x,y,z |
1_555 |
63 |
22 |
16540 |
668.0 |
-0.5 |
0.610 |
5 |
4 |
0 |
0.005 |
19 |
|
J |
73 |
24 |
14392 |
◊ |
H |
x,y,z |
1_555 |
64 |
22 |
16547 |
651.8 |
-1.7 |
0.527 |
5 |
3 |
0 |
0.005 |
20 |
|
T |
71 |
23 |
14382 |
◊ |
R |
x,y,z |
1_555 |
62 |
22 |
16572 |
651.0 |
-1.5 |
0.558 |
4 |
3 |
0 |
0.005 |
21 |
|
4 |
73 |
24 |
14395 |
◊ |
2 |
x,y,z |
1_555 |
63 |
22 |
16560 |
639.1 |
-1.5 |
0.549 |
5 |
2 |
0 |
0.005 |
Average: |
667.1 |
-0.9 |
0.585 |
5 |
4 |
0 |
0.005 |
5 |
22 |
|
W |
70 |
18 |
16566 |
◊ |
V |
x,y,z |
1_555 |
76 |
16 |
7924 |
660.0 |
-3.9 |
0.504 |
3 |
5 |
0 |
0.127 |
23 |
|
2 |
69 |
18 |
16560 |
◊ |
1 |
x,y,z |
1_555 |
75 |
16 |
7918 |
659.7 |
-3.8 |
0.505 |
5 |
5 |
0 |
0.127 |
24 |
|
C |
69 |
18 |
16583 |
◊ |
B |
x,y,z |
1_555 |
74 |
16 |
7909 |
658.8 |
-3.9 |
0.500 |
3 |
5 |
0 |
0.127 |
25 |
|
M |
69 |
18 |
16540 |
◊ |
L |
x,y,z |
1_555 |
73 |
16 |
7913 |
658.2 |
-3.8 |
0.506 |
3 |
5 |
0 |
0.127 |
26 |
|
R |
68 |
18 |
16572 |
◊ |
Q |
x,y,z |
1_555 |
74 |
16 |
7907 |
655.3 |
-3.7 |
0.507 |
5 |
5 |
0 |
0.127 |
27 |
|
H |
67 |
18 |
16547 |
◊ |
G |
x,y,z |
1_555 |
75 |
16 |
7911 |
655.1 |
-3.7 |
0.504 |
5 |
5 |
0 |
0.127 |
Average: |
657.8 |
-3.8 |
0.504 |
4 |
5 |
0 |
0.127 |
6 |
28 |
|
I |
61 |
18 |
7961 |
◊ |
F |
x,y,z |
1_555 |
64 |
18 |
7586 |
622.2 |
-8.7 |
0.128 |
6 |
1 |
0 |
0.200 |
29 |
|
S |
61 |
18 |
7951 |
◊ |
P |
x,y,z |
1_555 |
63 |
18 |
7570 |
618.2 |
-8.7 |
0.125 |
6 |
1 |
0 |
0.200 |
30 |
|
X |
63 |
18 |
7947 |
◊ |
U |
x,y,z |
1_555 |
66 |
18 |
7589 |
616.1 |
-8.7 |
0.132 |
6 |
1 |
0 |
0.200 |
31 |
|
N |
61 |
18 |
7957 |
◊ |
K |
x,y,z |
1_555 |
63 |
18 |
7578 |
613.5 |
-8.7 |
0.122 |
6 |
1 |
0 |
0.200 |
32 |
|
D |
62 |
18 |
7956 |
◊ |
A |
x,y,z |
1_555 |
64 |
18 |
7579 |
613.1 |
-8.7 |
0.128 |
6 |
1 |
0 |
0.200 |
33 |
|
3 |
62 |
18 |
7962 |
◊ |
Z |
x,y,z |
1_555 |
66 |
18 |
7578 |
613.0 |
-8.6 |
0.131 |
6 |
1 |
0 |
0.200 |
Average: |
616.0 |
-8.7 |
0.128 |
6 |
1 |
0 |
0.200 |
7 |
34 |
|
[HEM]Z:201 |
43 |
1 |
827 |
f |
Z |
x,y,z |
1_555 |
77 |
26 |
7578 |
572.2 |
-20.0 |
0.363 |
0 |
0 |
0 |
0.392 |
35 |
|
[HEM]U:201 |
43 |
1 |
837 |
f |
U |
x,y,z |
1_555 |
73 |
25 |
7589 |
572.1 |
-20.2 |
0.333 |
0 |
0 |
0 |
0.392 |
36 |
|
[HEM]A:201 |
43 |
1 |
835 |
f |
A |
x,y,z |
1_555 |
68 |
25 |
7579 |
572.0 |
-20.3 |
0.297 |
0 |
0 |
0 |
0.392 |
37 |
|
[HEM]F:201 |
43 |
1 |
829 |
f |
F |
x,y,z |
1_555 |
74 |
26 |
7586 |
569.3 |
-19.6 |
0.337 |
0 |
0 |
0 |
0.392 |
38 |
|
[HEM]P:201 |
43 |
1 |
833 |
f |
P |
x,y,z |
1_555 |
71 |
26 |
7570 |
568.9 |
-20.1 |
0.311 |
0 |
0 |
0 |
0.392 |
39 |
|
[HEM]K:201 |
42 |
1 |
812 |
f |
K |
x,y,z |
1_555 |
70 |
26 |
7578 |
566.3 |
-19.8 |
0.310 |
0 |
0 |
0 |
0.392 |
Average: |
570.1 |
-20.0 |
0.325 |
0 |
0 |
0 |
0.392 |
8 |
40 |
|
J |
59 |
19 |
14392 |
◊ |
G |
x,y,z |
1_555 |
62 |
16 |
7911 |
568.1 |
-4.7 |
0.350 |
4 |
4 |
0 |
0.312 |
41 |
|
T |
59 |
19 |
14382 |
◊ |
Q |
x,y,z |
1_555 |
62 |
16 |
7907 |
567.0 |
-4.8 |
0.345 |
5 |
4 |
0 |
0.312 |
42 |
|
O |
58 |
19 |
14416 |
◊ |
L |
x,y,z |
1_555 |
65 |
16 |
7913 |
565.8 |
-4.9 |
0.348 |
5 |
4 |
0 |
0.312 |
43 |
|
Y |
58 |
19 |
14440 |
◊ |
V |
x,y,z |
1_555 |
63 |
16 |
7924 |
565.5 |
-5.0 |
0.339 |
5 |
4 |
0 |
0.312 |
44 |
|
4 |
58 |
19 |
14395 |
◊ |
1 |
x,y,z |
1_555 |
65 |
16 |
7918 |
563.4 |
-4.8 |
0.344 |
4 |
4 |
0 |
0.312 |
45 |
|
E |
58 |
19 |
14461 |
◊ |
B |
x,y,z |
1_555 |
63 |
16 |
7909 |
560.7 |
-4.9 |
0.346 |
5 |
4 |
0 |
0.312 |
Average: |
565.1 |
-4.8 |
0.345 |
5 |
4 |
0 |
0.312 |
9 |
46 |
|
[HEM]V:201 |
42 |
1 |
824 |
f |
V |
x,y,z |
1_555 |
65 |
22 |
7924 |
532.6 |
-17.9 |
0.373 |
1 |
0 |
0 |
0.734 |
47 |
|
[HEM]G:201 |
42 |
1 |
816 |
f |
G |
x,y,z |
1_555 |
62 |
21 |
7911 |
527.0 |
-17.6 |
0.343 |
1 |
0 |
0 |
0.734 |
48 |
|
[HEM]B:201 |
42 |
1 |
805 |
f |
B |
x,y,z |
1_555 |
63 |
21 |
7909 |
526.0 |
-17.6 |
0.385 |
1 |
0 |
0 |
0.734 |
49 |
|
[HEM]1:201 |
42 |
1 |
801 |
f |
1 |
x,y,z |
1_555 |
62 |
21 |
7918 |
522.4 |
-17.6 |
0.372 |
1 |
0 |
0 |
0.734 |
50 |
|
[HEM]Q:201 |
42 |
1 |
806 |
f |
Q |
x,y,z |
1_555 |
62 |
21 |
7907 |
522.2 |
-17.4 |
0.355 |
1 |
0 |
0 |
0.734 |
51 |
|
[HEM]L:201 |
42 |
1 |
796 |
f |
L |
x,y,z |
1_555 |
62 |
21 |
7913 |
521.4 |
-17.5 |
0.376 |
2 |
0 |
0 |
0.734 |
Average: |
525.3 |
-17.6 |
0.367 |
1 |
0 |
0 |
0.734 |
10 |
52 |
|
M |
31 |
6 |
16540 |
◊ |
I |
x-1,y+1,z |
1_465 |
32 |
10 |
7961 |
281.0 |
1.0 |
0.699 |
2 |
2 |
0 |
0.000 |
53 |
|
C |
30 |
6 |
16583 |
◊ |
S |
x,y-1,z |
1_545 |
32 |
10 |
7951 |
280.8 |
0.9 |
0.694 |
1 |
2 |
0 |
0.000 |
54 |
|
X |
32 |
10 |
7947 |
◊ |
W |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
6 |
16566 |
273.5 |
0.9 |
0.698 |
1 |
2 |
0 |
0.000 |
55 |
|
2 |
28 |
6 |
16560 |
◊ |
3 |
-x+2,y-1/2,-z+1 |
2_746 |
32 |
10 |
7962 |
268.6 |
1.0 |
0.704 |
1 |
2 |
0 |
0.000 |
56 |
|
N |
31 |
9 |
7957 |
◊ |
H |
x-1,y,z |
1_455 |
28 |
6 |
16547 |
264.9 |
1.0 |
0.710 |
1 |
2 |
0 |
0.000 |
57 |
|
D |
30 |
9 |
7956 |
◊ |
R |
x,y,z |
1_555 |
28 |
6 |
16572 |
263.4 |
1.0 |
0.706 |
1 |
2 |
0 |
0.000 |
Average: |
272.0 |
1.0 |
0.702 |
1 |
2 |
0 |
0.000 |
11 |
58 |
|
O |
21 |
8 |
14416 |
◊ |
D |
x,y,z |
1_555 |
26 |
7 |
7956 |
211.5 |
0.6 |
0.608 |
2 |
2 |
0 |
0.000 |
59 |
|
J |
23 |
8 |
14392 |
◊ |
S |
x,y-1,z |
1_545 |
23 |
7 |
7951 |
210.7 |
0.7 |
0.632 |
3 |
2 |
0 |
0.000 |
60 |
|
N |
25 |
7 |
7957 |
◊ |
E |
x-1,y,z |
1_455 |
20 |
8 |
14461 |
209.9 |
0.7 |
0.610 |
2 |
2 |
0 |
0.000 |
61 |
|
T |
23 |
8 |
14382 |
◊ |
I |
x-1,y+1,z |
1_465 |
23 |
7 |
7961 |
209.1 |
0.8 |
0.637 |
3 |
2 |
0 |
0.000 |
62 |
|
X |
25 |
7 |
7947 |
◊ |
4 |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
8 |
14395 |
209.1 |
0.8 |
0.615 |
2 |
2 |
0 |
0.000 |
63 |
|
Y |
20 |
8 |
14440 |
◊ |
3 |
-x+2,y-1/2,-z+1 |
2_746 |
23 |
7 |
7962 |
207.2 |
0.7 |
0.615 |
3 |
2 |
0 |
0.000 |
Average: |
209.6 |
0.7 |
0.620 |
3 |
2 |
0 |
0.000 |
12 |
64 |
|
G |
24 |
9 |
7911 |
◊ |
S |
x,y-1,z |
1_545 |
23 |
6 |
7951 |
187.6 |
2.0 |
0.853 |
3 |
3 |
0 |
0.000 |
65 |
|
X |
23 |
6 |
7947 |
◊ |
1 |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
9 |
7918 |
184.7 |
2.1 |
0.851 |
3 |
3 |
0 |
0.000 |
66 |
|
Q |
21 |
9 |
7907 |
◊ |
I |
x-1,y+1,z |
1_465 |
23 |
6 |
7961 |
183.1 |
2.0 |
0.851 |
3 |
3 |
0 |
0.000 |
67 |
|
D |
22 |
6 |
7956 |
◊ |
L |
x,y,z |
1_555 |
23 |
10 |
7913 |
183.0 |
2.0 |
0.851 |
3 |
3 |
0 |
0.000 |
68 |
|
N |
22 |
6 |
7957 |
◊ |
B |
x-1,y,z |
1_455 |
23 |
9 |
7909 |
178.6 |
2.1 |
0.855 |
3 |
3 |
0 |
0.000 |
69 |
|
V |
22 |
9 |
7924 |
◊ |
3 |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
6 |
7962 |
174.7 |
2.0 |
0.852 |
3 |
3 |
0 |
0.000 |
Average: |
182.0 |
2.0 |
0.852 |
3 |
3 |
0 |
0.000 |
13 |
70 |
|
D |
20 |
7 |
7956 |
◊ |
M |
x,y,z |
1_555 |
16 |
8 |
16540 |
146.4 |
3.2 |
0.887 |
1 |
0 |
0 |
0.000 |
71 |
|
W |
16 |
8 |
16566 |
◊ |
3 |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
7 |
7962 |
145.8 |
3.2 |
0.887 |
1 |
0 |
0 |
0.000 |
72 |
|
N |
19 |
7 |
7957 |
◊ |
C |
x-1,y,z |
1_455 |
16 |
8 |
16583 |
145.6 |
3.2 |
0.887 |
1 |
0 |
0 |
0.000 |
73 |
|
X |
18 |
7 |
7947 |
◊ |
2 |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
7 |
16560 |
140.0 |
3.0 |
0.883 |
2 |
0 |
0 |
0.000 |
74 |
|
H |
15 |
7 |
16547 |
◊ |
S |
x,y-1,z |
1_545 |
16 |
7 |
7951 |
139.9 |
3.1 |
0.890 |
1 |
0 |
0 |
0.000 |
75 |
|
R |
15 |
7 |
16572 |
◊ |
I |
x-1,y+1,z |
1_465 |
16 |
7 |
7961 |
139.8 |
3.0 |
0.887 |
2 |
0 |
0 |
0.000 |
Average: |
142.9 |
3.1 |
0.887 |
1 |
0 |
0 |
0.000 |
14 |
76 |
|
R |
23 |
10 |
16572 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
7579 |
144.9 |
-0.6 |
0.579 |
1 |
1 |
0 |
0.000 |
77 |
|
K |
14 |
5 |
7578 |
◊ |
H |
x-1,y,z |
1_455 |
22 |
9 |
16547 |
143.7 |
-0.6 |
0.591 |
1 |
1 |
0 |
0.000 |
78 |
|
2 |
21 |
9 |
16560 |
◊ |
Z |
-x+2,y-1/2,-z+1 |
2_746 |
13 |
5 |
7578 |
138.7 |
-0.6 |
0.586 |
1 |
1 |
0 |
0.000 |
79 |
|
U |
13 |
5 |
7589 |
◊ |
W |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
9 |
16566 |
135.2 |
-0.6 |
0.577 |
1 |
1 |
0 |
0.000 |
80 |
|
C |
21 |
9 |
16583 |
◊ |
P |
x,y-1,z |
1_545 |
13 |
5 |
7570 |
134.3 |
-0.6 |
0.584 |
1 |
1 |
0 |
0.000 |
81 |
|
M |
22 |
10 |
16540 |
◊ |
F |
x-1,y+1,z |
1_465 |
13 |
5 |
7586 |
133.0 |
-0.6 |
0.586 |
1 |
1 |
0 |
0.000 |
Average: |
138.3 |
-0.6 |
0.584 |
1 |
1 |
0 |
0.000 |
15 |
82 |
|
[NAG]Y:1002 |
12 |
1 |
357 |
cf |
Y |
x,y,z |
1_555 |
20 |
9 |
14440 |
139.9 |
3.1 |
0.311 |
3 |
0 |
0 |
0.000 |
83 |
|
[NAG]J:1002 |
11 |
1 |
353 |
cf |
J |
x,y,z |
1_555 |
20 |
9 |
14392 |
134.7 |
2.7 |
0.299 |
2 |
0 |
0 |
0.000 |
84 |
|
[NAG]T:1002 |
11 |
1 |
351 |
cf |
T |
x,y,z |
1_555 |
22 |
9 |
14382 |
132.9 |
2.9 |
0.355 |
2 |
0 |
0 |
0.000 |
85 |
|
[NAG]4:1002 |
11 |
1 |
354 |
cf |
4 |
x,y,z |
1_555 |
19 |
8 |
14395 |
130.8 |
2.8 |
0.339 |
2 |
0 |
0 |
0.000 |
86 |
|
[NAG]O:1002 |
11 |
1 |
354 |
cf |
O |
x,y,z |
1_555 |
21 |
9 |
14416 |
130.3 |
2.6 |
0.299 |
2 |
0 |
0 |
0.000 |
87 |
|
[NAG]E:1002 |
12 |
1 |
356 |
cf |
E |
x,y,z |
1_555 |
20 |
9 |
14461 |
130.2 |
2.8 |
0.283 |
2 |
0 |
0 |
0.000 |
Average: |
133.1 |
2.8 |
0.314 |
2 |
0 |
0 |
0.000 |
16 |
88 |
|
[NAG]R:1005 |
11 |
1 |
359 |
cf |
R |
x,y,z |
1_555 |
19 |
6 |
16572 |
132.9 |
3.6 |
0.455 |
2 |
0 |
0 |
0.000 |
17 |
89 |
|
[HEM]L:201 |
12 |
1 |
796 |
◊ |
O |
x,y,z |
1_555 |
21 |
9 |
14416 |
130.9 |
-3.6 |
0.678 |
3 |
0 |
0 |
0.206 |
90 |
|
[HEM]1:201 |
12 |
1 |
801 |
◊ |
4 |
x,y,z |
1_555 |
20 |
9 |
14395 |
129.3 |
-3.9 |
0.659 |
3 |
0 |
0 |
0.206 |
91 |
|
[HEM]B:201 |
12 |
1 |
805 |
◊ |
E |
x,y,z |
1_555 |
21 |
9 |
14461 |
125.0 |
-3.6 |
0.695 |
3 |
0 |
0 |
0.206 |
92 |
|
[HEM]G:201 |
11 |
1 |
816 |
◊ |
J |
x,y,z |
1_555 |
19 |
8 |
14392 |
121.8 |
-3.5 |
0.658 |
3 |
0 |
0 |
0.206 |
93 |
|
[HEM]Q:201 |
11 |
1 |
806 |
◊ |
T |
x,y,z |
1_555 |
18 |
8 |
14382 |
119.9 |
-3.4 |
0.670 |
3 |
0 |
0 |
0.206 |
94 |
|
[HEM]V:201 |
11 |
1 |
824 |
◊ |
Y |
x,y,z |
1_555 |
18 |
9 |
14440 |
116.0 |
-3.5 |
0.679 |
3 |
0 |
0 |
0.206 |
Average: |
123.8 |
-3.6 |
0.673 |
3 |
0 |
0 |
0.206 |
18 |
95 |
|
[NAG]2:1004 |
12 |
1 |
360 |
cf |
2 |
x,y,z |
1_555 |
19 |
6 |
16560 |
130.5 |
3.4 |
0.368 |
1 |
0 |
0 |
0.000 |
96 |
|
[NAG]H:1003 |
12 |
1 |
359 |
cf |
H |
x,y,z |
1_555 |
19 |
6 |
16547 |
129.9 |
3.4 |
0.355 |
1 |
0 |
0 |
0.000 |
97 |
|
[NAG]W:1003 |
12 |
1 |
358 |
cf |
W |
x,y,z |
1_555 |
19 |
6 |
16566 |
127.0 |
3.3 |
0.348 |
1 |
0 |
0 |
0.000 |
98 |
|
[NAG]C:1005 |
12 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
19 |
6 |
16583 |
126.6 |
3.4 |
0.358 |
1 |
0 |
0 |
0.000 |
99 |
|
[NAG]M:1005 |
12 |
1 |
358 |
cf |
M |
x,y,z |
1_555 |
17 |
6 |
16540 |
126.4 |
3.2 |
0.341 |
2 |
0 |
0 |
0.000 |
Average: |
128.1 |
3.3 |
0.354 |
1 |
0 |
0 |
0.000 |
19 |
100 |
|
T |
15 |
6 |
14382 |
◊ |
F |
x-1,y+1,z |
1_465 |
12 |
7 |
7586 |
124.2 |
1.7 |
0.847 |
1 |
0 |
0 |
0.000 |
101 |
|
J |
15 |
6 |
14392 |
◊ |
P |
x,y-1,z |
1_545 |
12 |
7 |
7570 |
121.9 |
1.7 |
0.844 |
1 |
0 |
0 |
0.000 |
102 |
|
Y |
14 |
5 |
14440 |
◊ |
Z |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
7 |
7578 |
120.3 |
1.9 |
0.857 |
1 |
0 |
0 |
0.000 |
103 |
|
U |
11 |
6 |
7589 |
◊ |
4 |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
6 |
14395 |
117.0 |
1.6 |
0.829 |
0 |
0 |
0 |
0.000 |
104 |
|
O |
14 |
5 |
14416 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
7579 |
111.7 |
1.7 |
0.849 |
0 |
0 |
0 |
0.000 |
105 |
|
K |
10 |
6 |
7578 |
◊ |
E |
x-1,y,z |
1_455 |
14 |
5 |
14461 |
110.4 |
1.9 |
0.853 |
0 |
0 |
0 |
0.000 |
Average: |
117.6 |
1.7 |
0.847 |
1 |
0 |
0 |
0.000 |
20 |
106 |
|
O |
13 |
6 |
14416 |
◊ |
S |
-x,y-1/2,-z |
2_545 |
15 |
6 |
7951 |
121.5 |
1.7 |
0.825 |
3 |
0 |
0 |
0.000 |
107 |
|
I |
15 |
6 |
7961 |
◊ |
4 |
x,y-1,z |
1_545 |
13 |
6 |
14395 |
121.0 |
1.6 |
0.821 |
2 |
0 |
0 |
0.000 |
108 |
|
E |
13 |
6 |
14461 |
◊ |
X |
x,y,z |
1_555 |
16 |
6 |
7947 |
119.2 |
1.6 |
0.818 |
2 |
0 |
0 |
0.000 |
Average: |
120.6 |
1.6 |
0.821 |
2 |
0 |
0 |
0.000 |
21 |
109 |
|
[NAG]R:1001 |
7 |
1 |
361 |
cf |
R |
x,y,z |
1_555 |
13 |
5 |
16572 |
115.4 |
3.8 |
0.667 |
0 |
0 |
0 |
0.000 |
110 |
|
[NAG]H:1001 |
7 |
1 |
359 |
cf |
H |
x,y,z |
1_555 |
13 |
5 |
16547 |
114.7 |
3.9 |
0.645 |
0 |
0 |
0 |
0.000 |
Average: |
115.1 |
3.8 |
0.656 |
0 |
0 |
0 |
0.000 |
22 |
111 |
|
[NAG]C:1002 |
9 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
15 |
4 |
16583 |
111.9 |
3.3 |
0.515 |
0 |
0 |
0 |
0.000 |
112 |
|
[NAG]M:1002 |
8 |
1 |
354 |
cf |
M |
x,y,z |
1_555 |
15 |
4 |
16540 |
108.4 |
3.0 |
0.487 |
1 |
0 |
0 |
0.000 |
113 |
|
[NAG]W:1002 |
8 |
1 |
356 |
cf |
W |
x,y,z |
1_555 |
17 |
5 |
16566 |
103.5 |
2.6 |
0.442 |
0 |
0 |
0 |
0.000 |
Average: |
107.9 |
3.0 |
0.481 |
0 |
0 |
0 |
0.000 |
23 |
114 |
|
[NAG]2:1001 |
7 |
1 |
359 |
cf |
2 |
x,y,z |
1_555 |
10 |
4 |
16560 |
110.1 |
4.1 |
0.652 |
0 |
0 |
0 |
0.000 |
24 |
115 |
|
[NAG]W:1001 |
8 |
1 |
364 |
cf |
W |
x,y,z |
1_555 |
12 |
5 |
16566 |
108.8 |
3.2 |
0.500 |
0 |
0 |
0 |
0.000 |
25 |
116 |
|
[NAG]H:1002 |
9 |
1 |
359 |
cf |
H |
x,y,z |
1_555 |
16 |
4 |
16547 |
105.8 |
2.7 |
0.399 |
0 |
0 |
0 |
0.000 |
26 |
117 |
|
[NAG]R:1002 |
8 |
1 |
355 |
cf |
R |
x,y,z |
1_555 |
15 |
4 |
16572 |
104.8 |
3.0 |
0.477 |
0 |
0 |
0 |
0.000 |
118 |
|
[NAG]2:1002 |
8 |
1 |
354 |
cf |
2 |
x,y,z |
1_555 |
12 |
3 |
16560 |
101.3 |
3.1 |
0.483 |
0 |
0 |
0 |
0.000 |
Average: |
103.0 |
3.0 |
0.480 |
0 |
0 |
0 |
0.000 |
27 |
119 |
|
[NAG]C:1005 |
6 |
1 |
361 |
◊ |
T |
x,y-1,z |
1_545 |
13 |
6 |
14382 |
103.7 |
1.9 |
0.424 |
0 |
0 |
0 |
0.000 |
120 |
|
Y |
13 |
6 |
14440 |
◊ |
[NAG]W:1003 |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
358 |
97.9 |
1.8 |
0.406 |
0 |
0 |
0 |
0.000 |
121 |
|
[NAG]M:1005 |
5 |
1 |
358 |
◊ |
J |
x-1,y+1,z |
1_465 |
13 |
6 |
14392 |
97.5 |
1.9 |
0.487 |
0 |
0 |
0 |
0.000 |
122 |
|
[NAG]2:1004 |
7 |
1 |
360 |
◊ |
4 |
-x+2,y-1/2,-z+1 |
2_746 |
13 |
6 |
14395 |
95.5 |
1.8 |
0.387 |
0 |
0 |
0 |
0.000 |
123 |
|
O |
16 |
6 |
14416 |
◊ |
[NAG]H:1003 |
x-1,y,z |
1_455 |
6 |
1 |
359 |
92.9 |
1.7 |
0.428 |
0 |
0 |
0 |
0.000 |
Average: |
97.5 |
1.8 |
0.426 |
0 |
0 |
0 |
0.000 |
28 |
124 |
|
[NAG]C:1001 |
8 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
16583 |
103.2 |
3.3 |
0.512 |
0 |
0 |
0 |
0.000 |
29 |
125 |
|
[NAG]4:1001 |
8 |
1 |
361 |
cf |
4 |
x,y,z |
1_555 |
9 |
5 |
14395 |
101.8 |
3.0 |
0.475 |
1 |
0 |
0 |
0.000 |
30 |
126 |
|
R |
9 |
5 |
16572 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
7909 |
101.6 |
3.1 |
0.930 |
1 |
1 |
0 |
0.000 |
127 |
|
L |
19 |
6 |
7913 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
5 |
16547 |
98.8 |
3.1 |
0.929 |
1 |
1 |
0 |
0.000 |
128 |
|
2 |
7 |
5 |
16560 |
◊ |
1 |
-x+2,y-1/2,-z+1 |
2_746 |
17 |
6 |
7918 |
88.2 |
2.8 |
0.928 |
1 |
1 |
0 |
0.000 |
129 |
|
V |
16 |
4 |
7924 |
◊ |
W |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
5 |
16566 |
84.0 |
2.7 |
0.927 |
1 |
1 |
0 |
0.000 |
130 |
|
C |
6 |
4 |
16583 |
◊ |
Q |
x,y-1,z |
1_545 |
16 |
4 |
7907 |
78.5 |
2.6 |
0.923 |
1 |
1 |
0 |
0.000 |
131 |
|
M |
6 |
4 |
16540 |
◊ |
G |
x-1,y+1,z |
1_465 |
16 |
4 |
7911 |
76.7 |
2.5 |
0.919 |
1 |
1 |
0 |
0.000 |
Average: |
88.0 |
2.8 |
0.926 |
1 |
1 |
0 |
0.000 |
31 |
132 |
|
[NAG]T:1001 |
9 |
1 |
361 |
cf |
T |
x,y,z |
1_555 |
9 |
5 |
14382 |
100.4 |
2.8 |
0.406 |
0 |
0 |
0 |
0.000 |
133 |
|
[NAG]J:1001 |
9 |
1 |
361 |
cf |
J |
x,y,z |
1_555 |
9 |
5 |
14392 |
98.9 |
2.7 |
0.379 |
0 |
0 |
0 |
0.000 |
134 |
|
[NAG]Y:1001 |
9 |
1 |
363 |
cf |
Y |
x,y,z |
1_555 |
9 |
5 |
14440 |
98.4 |
2.6 |
0.399 |
0 |
0 |
0 |
0.000 |
Average: |
99.2 |
2.7 |
0.395 |
0 |
0 |
0 |
0.000 |
32 |
135 |
|
[NAG]E:1001 |
9 |
1 |
363 |
cf |
E |
x,y,z |
1_555 |
7 |
4 |
14461 |
97.0 |
2.6 |
0.372 |
1 |
0 |
0 |
0.000 |
136 |
|
[NAG]O:1001 |
9 |
1 |
360 |
cf |
O |
x,y,z |
1_555 |
7 |
4 |
14416 |
95.2 |
2.6 |
0.375 |
1 |
0 |
0 |
0.000 |
Average: |
96.1 |
2.6 |
0.374 |
1 |
0 |
0 |
0.000 |
33 |
137 |
|
[NAG]M:1001 |
7 |
1 |
353 |
cf |
M |
x,y,z |
1_555 |
9 |
3 |
16540 |
96.5 |
3.2 |
0.550 |
0 |
0 |
0 |
0.000 |
34 |
138 |
|
Y |
17 |
6 |
14440 |
◊ |
[NAG]W:1004 |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
1 |
357 |
95.7 |
1.2 |
0.246 |
0 |
0 |
0 |
0.000 |
139 |
|
[NAG]2:1005 |
9 |
1 |
355 |
◊ |
4 |
-x+2,y-1/2,-z+1 |
2_746 |
16 |
6 |
14395 |
91.9 |
1.2 |
0.259 |
0 |
0 |
0 |
0.000 |
140 |
|
[NAG]M:1006 |
8 |
1 |
355 |
◊ |
J |
x-1,y+1,z |
1_465 |
15 |
6 |
14392 |
82.4 |
1.1 |
0.265 |
0 |
0 |
0 |
0.000 |
Average: |
90.0 |
1.2 |
0.257 |
0 |
0 |
0 |
0.000 |
35 |
141 |
|
[NAG]R:1005 |
8 |
1 |
359 |
◊ |
E |
x,y,z |
1_555 |
14 |
7 |
14461 |
91.7 |
1.5 |
0.328 |
0 |
0 |
0 |
0.000 |
36 |
142 |
|
[NAG]R:1006 |
10 |
1 |
353 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
14461 |
90.0 |
1.4 |
0.261 |
0 |
0 |
0 |
0.000 |
37 |
143 |
|
O |
15 |
5 |
14416 |
◊ |
[NAG]H:1004 |
x-1,y,z |
1_455 |
9 |
1 |
356 |
88.8 |
1.1 |
0.243 |
0 |
0 |
0 |
0.000 |
38 |
144 |
|
[NAG]C:1004 |
8 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
7 |
3 |
16583 |
86.3 |
2.9 |
0.443 |
0 |
0 |
0 |
0.000 |
145 |
|
[NAG]M:1004 |
9 |
1 |
363 |
cf |
M |
x,y,z |
1_555 |
8 |
3 |
16540 |
84.6 |
2.8 |
0.398 |
0 |
0 |
0 |
0.000 |
Average: |
85.4 |
2.9 |
0.420 |
0 |
0 |
0 |
0.000 |
39 |
146 |
|
[NAG]2:1003 |
8 |
1 |
358 |
cf |
[NAG]2:1002 |
x,y,z |
1_555 |
8 |
1 |
354 |
83.8 |
2.8 |
0.120 |
1 |
0 |
0 |
0.000 |
147 |
|
[NAG]M:1003 |
8 |
1 |
361 |
cf |
[NAG]M:1002 |
x,y,z |
1_555 |
9 |
1 |
354 |
83.8 |
2.8 |
0.107 |
1 |
0 |
0 |
0.000 |
148 |
|
[NAG]R:1003 |
7 |
1 |
360 |
cf |
[NAG]R:1002 |
x,y,z |
1_555 |
9 |
1 |
355 |
82.0 |
2.7 |
0.107 |
1 |
0 |
0 |
0.000 |
149 |
|
[NAG]C:1003 |
6 |
1 |
359 |
cf |
[NAG]C:1002 |
x,y,z |
1_555 |
9 |
1 |
355 |
80.7 |
2.5 |
0.141 |
2 |
0 |
0 |
0.000 |
Average: |
82.6 |
2.7 |
0.119 |
1 |
0 |
0 |
0.000 |
40 |
150 |
|
[NAG]C:1006 |
8 |
1 |
351 |
◊ |
T |
x,y-1,z |
1_545 |
14 |
5 |
14382 |
83.6 |
1.4 |
0.295 |
0 |
0 |
0 |
0.000 |
41 |
151 |
|
E |
4 |
2 |
14461 |
◊ |
R |
x,y,z |
1_555 |
9 |
4 |
16572 |
74.3 |
0.6 |
0.740 |
1 |
0 |
0 |
0.000 |
152 |
|
O |
4 |
2 |
14416 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
4 |
16547 |
74.0 |
0.6 |
0.748 |
1 |
0 |
0 |
0.000 |
153 |
|
2 |
10 |
5 |
16560 |
◊ |
4 |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
2 |
14395 |
69.2 |
0.7 |
0.758 |
1 |
0 |
0 |
0.000 |
154 |
|
Y |
3 |
1 |
14440 |
◊ |
W |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
16566 |
66.6 |
0.7 |
0.774 |
1 |
0 |
0 |
0.000 |
155 |
|
C |
9 |
5 |
16583 |
◊ |
T |
x,y-1,z |
1_545 |
3 |
1 |
14382 |
65.7 |
0.7 |
0.770 |
1 |
0 |
0 |
0.000 |
156 |
|
M |
9 |
5 |
16540 |
◊ |
J |
x-1,y+1,z |
1_465 |
3 |
1 |
14392 |
64.5 |
0.7 |
0.762 |
0 |
0 |
0 |
0.000 |
Average: |
69.1 |
0.7 |
0.759 |
1 |
0 |
0 |
0.000 |
42 |
157 |
|
[NAG]R:1006 |
8 |
1 |
353 |
cf |
[NAG]R:1005 |
x,y,z |
1_555 |
6 |
1 |
359 |
70.9 |
1.6 |
0.115 |
0 |
0 |
0 |
0.000 |
43 |
158 |
|
[NAG]M:1006 |
8 |
1 |
355 |
cf |
[NAG]M:1005 |
x,y,z |
1_555 |
7 |
1 |
358 |
70.1 |
1.1 |
0.080 |
1 |
0 |
0 |
0.000 |
159 |
|
[NAG]2:1005 |
8 |
1 |
355 |
cf |
[NAG]2:1004 |
x,y,z |
1_555 |
7 |
1 |
360 |
68.5 |
0.9 |
0.062 |
1 |
0 |
0 |
0.000 |
160 |
|
[NAG]W:1004 |
7 |
1 |
357 |
cf |
[NAG]W:1003 |
x,y,z |
1_555 |
7 |
1 |
358 |
68.2 |
1.0 |
0.068 |
1 |
0 |
0 |
0.000 |
161 |
|
[NAG]C:1006 |
7 |
1 |
351 |
cf |
[NAG]C:1005 |
x,y,z |
1_555 |
7 |
1 |
361 |
66.2 |
0.8 |
0.068 |
0 |
0 |
0 |
0.000 |
Average: |
68.2 |
1.0 |
0.069 |
1 |
0 |
0 |
0.000 |
44 |
162 |
|
[NAG]H:1004 |
7 |
1 |
356 |
cf |
[NAG]H:1003 |
x,y,z |
1_555 |
7 |
1 |
359 |
68.9 |
1.0 |
0.081 |
1 |
0 |
0 |
0.000 |
45 |
163 |
|
[NAG]R:1004 |
7 |
1 |
360 |
cf |
R |
x,y,z |
1_555 |
7 |
3 |
16572 |
64.0 |
1.9 |
0.375 |
0 |
0 |
0 |
0.000 |
46 |
164 |
|
[OXY]Z:202 |
2 |
1 |
120 |
f |
Z |
x,y,z |
1_555 |
10 |
7 |
7578 |
54.0 |
0.6 |
0.820 |
1 |
0 |
0 |
0.000 |
47 |
165 |
|
[OXY]P:202 |
2 |
1 |
120 |
f |
P |
x,y,z |
1_555 |
9 |
6 |
7570 |
53.9 |
0.6 |
0.836 |
1 |
0 |
0 |
0.000 |
48 |
166 |
|
[OXY]A:202 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
7579 |
53.7 |
0.5 |
0.813 |
1 |
0 |
0 |
0.000 |
49 |
167 |
|
[OXY]U:202 |
2 |
1 |
119 |
f |
U |
x,y,z |
1_555 |
10 |
7 |
7589 |
53.7 |
0.6 |
0.826 |
1 |
0 |
0 |
0.000 |
50 |
168 |
|
[OXY]K:202 |
2 |
1 |
119 |
f |
K |
x,y,z |
1_555 |
10 |
7 |
7578 |
53.7 |
0.6 |
0.817 |
0 |
0 |
0 |
0.000 |
51 |
169 |
|
[OXY]F:202 |
2 |
1 |
120 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
7586 |
53.4 |
0.6 |
0.819 |
0 |
0 |
0 |
0.000 |
52 |
170 |
|
[OXY]B:202 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7909 |
53.4 |
1.0 |
0.879 |
1 |
0 |
0 |
0.000 |
53 |
171 |
|
[OXY]Q:202 |
2 |
1 |
120 |
f |
Q |
x,y,z |
1_555 |
10 |
6 |
7907 |
53.1 |
0.9 |
0.872 |
0 |
0 |
0 |
0.000 |
54 |
172 |
|
[OXY]G:202 |
2 |
1 |
119 |
f |
G |
x,y,z |
1_555 |
10 |
6 |
7911 |
52.4 |
0.9 |
0.871 |
1 |
0 |
0 |
0.000 |
55 |
173 |
|
[OXY]V:202 |
2 |
1 |
120 |
f |
V |
x,y,z |
1_555 |
11 |
6 |
7924 |
52.4 |
0.9 |
0.857 |
1 |
0 |
0 |
0.000 |
56 |
174 |
|
[OXY]1:202 |
2 |
1 |
119 |
f |
1 |
x,y,z |
1_555 |
11 |
6 |
7918 |
52.3 |
0.9 |
0.882 |
1 |
0 |
0 |
0.000 |
175 |
|
[OXY]L:202 |
2 |
1 |
120 |
f |
L |
x,y,z |
1_555 |
9 |
6 |
7913 |
52.2 |
1.0 |
0.882 |
1 |
0 |
0 |
0.000 |
Average: |
52.3 |
1.0 |
0.882 |
1 |
0 |
0 |
0.000 |
57 |
176 |
|
[NAG]C:1006 |
9 |
1 |
351 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
16583 |
48.1 |
1.3 |
0.256 |
0 |
0 |
0 |
0.000 |
177 |
|
[NAG]M:1006 |
10 |
1 |
355 |
f |
M |
x,y,z |
1_555 |
8 |
3 |
16540 |
47.0 |
1.2 |
0.189 |
0 |
0 |
0 |
0.000 |
178 |
|
[NAG]2:1005 |
9 |
1 |
355 |
f |
2 |
x,y,z |
1_555 |
8 |
3 |
16560 |
44.7 |
1.2 |
0.225 |
0 |
0 |
0 |
0.000 |
179 |
|
[NAG]W:1004 |
9 |
1 |
357 |
f |
W |
x,y,z |
1_555 |
8 |
3 |
16566 |
38.1 |
1.1 |
0.208 |
0 |
0 |
0 |
0.000 |
Average: |
44.5 |
1.2 |
0.220 |
0 |
0 |
0 |
0.000 |
58 |
180 |
|
[NAG]H:1004 |
9 |
1 |
356 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
16547 |
44.2 |
1.2 |
0.220 |
0 |
0 |
0 |
0.000 |
59 |
181 |
|
[OXY]P:202 |
2 |
1 |
120 |
f |
[HEM]P:201 |
x,y,z |
1_555 |
16 |
1 |
833 |
43.0 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.003 |
60 |
182 |
|
[NAG]R:1006 |
8 |
1 |
353 |
f |
R |
x,y,z |
1_555 |
7 |
2 |
16572 |
43.0 |
1.1 |
0.266 |
0 |
0 |
0 |
0.000 |
61 |
183 |
|
[OXY]L:202 |
2 |
1 |
120 |
f |
[HEM]L:201 |
x,y,z |
1_555 |
16 |
1 |
796 |
43.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.003 |
184 |
|
[OXY]1:202 |
2 |
1 |
119 |
f |
[HEM]1:201 |
x,y,z |
1_555 |
16 |
1 |
801 |
42.8 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.003 |
Average: |
42.9 |
0.0 |
1.000 |
0 |
0 |
0 |
0.003 |
62 |
185 |
|
[OXY]Z:202 |
2 |
1 |
120 |
f |
[HEM]Z:201 |
x,y,z |
1_555 |
19 |
1 |
827 |
42.9 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.005 |
63 |
186 |
|
[OXY]A:202 |
2 |
1 |
120 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
18 |
1 |
835 |
42.9 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.003 |
64 |
187 |
|
[OXY]Q:202 |
2 |
1 |
120 |
f |
[HEM]Q:201 |
x,y,z |
1_555 |
17 |
1 |
806 |
42.7 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
65 |
188 |
|
[OXY]U:202 |
2 |
1 |
119 |
f |
[HEM]U:201 |
x,y,z |
1_555 |
19 |
1 |
837 |
42.5 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.007 |
66 |
189 |
|
[OXY]B:202 |
2 |
1 |
120 |
f |
[HEM]B:201 |
x,y,z |
1_555 |
17 |
1 |
805 |
42.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
67 |
190 |
|
[OXY]F:202 |
2 |
1 |
120 |
f |
[HEM]F:201 |
x,y,z |
1_555 |
18 |
1 |
829 |
42.3 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.003 |
68 |
191 |
|
[OXY]V:202 |
2 |
1 |
120 |
f |
[HEM]V:201 |
x,y,z |
1_555 |
19 |
1 |
824 |
42.2 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.007 |
69 |
192 |
|
[OXY]K:202 |
2 |
1 |
119 |
f |
[HEM]K:201 |
x,y,z |
1_555 |
18 |
1 |
812 |
42.1 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.002 |
70 |
193 |
|
[OXY]G:202 |
2 |
1 |
119 |
f |
[HEM]G:201 |
x,y,z |
1_555 |
18 |
1 |
816 |
42.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
71 |
194 |
|
J |
5 |
2 |
14392 |
◊ |
2 |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
16560 |
38.8 |
1.2 |
0.859 |
1 |
2 |
0 |
0.000 |
195 |
|
H |
4 |
1 |
16547 |
◊ |
T |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
14382 |
37.2 |
1.1 |
0.851 |
1 |
2 |
0 |
0.000 |
196 |
|
Y |
5 |
2 |
14440 |
◊ |
R |
x,y,z |
1_555 |
4 |
1 |
16572 |
33.7 |
0.9 |
0.828 |
1 |
1 |
0 |
0.000 |
Average: |
36.6 |
1.1 |
0.846 |
1 |
2 |
0 |
0.000 |
72 |
197 |
|
R |
3 |
2 |
16572 |
◊ |
4 |
x-1,y,z |
1_455 |
5 |
2 |
14395 |
23.1 |
0.9 |
0.801 |
1 |
0 |
0 |
0.000 |
198 |
|
H |
3 |
2 |
16547 |
◊ |
O |
-x,y-1/2,-z |
2_545 |
4 |
2 |
14416 |
21.2 |
0.8 |
0.805 |
1 |
0 |
0 |
0.000 |
199 |
|
E |
4 |
2 |
14461 |
◊ |
2 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
16560 |
19.5 |
0.8 |
0.816 |
0 |
0 |
0 |
0.000 |
Average: |
21.3 |
0.8 |
0.807 |
1 |
0 |
0 |
0.000 |
73 |
200 |
|
M |
1 |
1 |
16540 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
14461 |
18.9 |
-0.4 |
0.248 |
0 |
0 |
0 |
0.000 |
201 |
|
O |
4 |
2 |
14416 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16583 |
18.6 |
-0.4 |
0.246 |
0 |
0 |
0 |
0.000 |
202 |
|
W |
1 |
1 |
16566 |
◊ |
4 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
14395 |
18.2 |
-0.4 |
0.263 |
0 |
0 |
0 |
0.000 |
203 |
|
Y |
4 |
2 |
14440 |
◊ |
2 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
16560 |
17.2 |
-0.4 |
0.259 |
0 |
0 |
0 |
0.000 |
204 |
|
J |
4 |
2 |
14392 |
◊ |
R |
x,y-1,z |
1_545 |
1 |
1 |
16572 |
15.6 |
-0.3 |
0.286 |
0 |
0 |
0 |
0.000 |
205 |
|
T |
4 |
2 |
14382 |
◊ |
H |
x-1,y+1,z |
1_465 |
1 |
1 |
16547 |
15.2 |
-0.3 |
0.295 |
0 |
0 |
0 |
0.000 |
Average: |
17.3 |
-0.4 |
0.266 |
0 |
0 |
0 |
0.000 |
74 |
206 |
|
X |
4 |
2 |
7947 |
◊ |
W |
x,y,z |
1_555 |
3 |
2 |
16566 |
14.8 |
0.5 |
0.743 |
0 |
0 |
0 |
0.000 |
207 |
|
I |
4 |
2 |
7961 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
16547 |
14.7 |
0.5 |
0.744 |
0 |
0 |
0 |
0.000 |
208 |
|
N |
3 |
2 |
7957 |
◊ |
M |
x,y,z |
1_555 |
3 |
2 |
16540 |
14.0 |
0.5 |
0.757 |
0 |
0 |
0 |
0.000 |
209 |
|
S |
4 |
2 |
7951 |
◊ |
R |
x,y,z |
1_555 |
3 |
2 |
16572 |
13.6 |
0.5 |
0.747 |
0 |
0 |
0 |
0.000 |
210 |
|
D |
3 |
2 |
7956 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
16583 |
12.5 |
0.5 |
0.758 |
0 |
0 |
0 |
0.000 |
211 |
|
3 |
4 |
2 |
7962 |
◊ |
2 |
x,y,z |
1_555 |
3 |
2 |
16560 |
12.5 |
0.5 |
0.745 |
0 |
0 |
0 |
0.000 |
Average: |
13.7 |
0.5 |
0.749 |
0 |
0 |
0 |
0.000 |
75 |
212 |
|
[NAG]H:1002 |
4 |
1 |
359 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
7586 |
13.5 |
0.5 |
0.355 |
0 |
0 |
0 |
0.000 |
76 |
213 |
|
O |
2 |
1 |
14416 |
◊ |
T |
-x,y-1/2,-z |
2_545 |
2 |
1 |
14382 |
12.2 |
-0.2 |
0.467 |
0 |
0 |
0 |
0.000 |
214 |
|
Y |
1 |
1 |
14440 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
14461 |
1.8 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
215 |
|
J |
1 |
1 |
14392 |
◊ |
4 |
x,y-1,z |
1_545 |
1 |
1 |
14395 |
0.1 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
Average: |
4.7 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
77 |
216 |
|
[NAG]W:1002 |
3 |
1 |
356 |
◊ |
U |
x,y,z |
1_555 |
3 |
1 |
7589 |
10.0 |
0.3 |
0.342 |
0 |
0 |
0 |
0.000 |
78 |
217 |
|
M |
1 |
1 |
16540 |
◊ |
4 |
x-1,y,z |
1_455 |
2 |
1 |
14395 |
4.3 |
-0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
218 |
|
C |
1 |
1 |
16583 |
◊ |
O |
-x,y-1/2,-z |
2_545 |
1 |
1 |
14416 |
3.3 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
219 |
|
E |
1 |
1 |
14461 |
◊ |
W |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
16566 |
1.4 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
Average: |
3.0 |
-0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
79 |
220 |
|
[NAG]R:1002 |
2 |
1 |
355 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
7570 |
2.7 |
0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
221 |
|
[NAG]C:1002 |
1 |
1 |
355 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7579 |
0.9 |
0.0 |
0.279 |
0 |
0 |
0 |
0.000 |
222 |
|
[NAG]M:1002 |
2 |
1 |
354 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
7578 |
0.4 |
0.0 |
0.369 |
0 |
0 |
0 |
0.000 |
Average: |
1.3 |
0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
80 |
223 |
|
T |
1 |
1 |
14382 |
◊ |
[HEM]F:201 |
x-1,y+1,z |
1_465 |
1 |
1 |
829 |
2.1 |
-0.1 |
0.813 |
0 |
0 |
0 |
0.000 |
81 |
224 |
|
[NAG]2:1002 |
2 |
1 |
354 |
◊ |
Z |
x,y,z |
1_555 |
2 |
1 |
7578 |
1.7 |
0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
82 |
225 |
|
[NAG]M:1003 |
1 |
1 |
361 |
f |
M |
x,y,z |
1_555 |
1 |
1 |
16540 |
1.5 |
0.1 |
0.317 |
0 |
0 |
0 |
0.000 |
226 |
|
[NAG]C:1003 |
1 |
1 |
359 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
16583 |
0.8 |
0.0 |
0.313 |
0 |
0 |
0 |
0.000 |
227 |
|
[NAG]R:1003 |
1 |
1 |
360 |
f |
R |
x,y,z |
1_555 |
1 |
1 |
16572 |
0.5 |
0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
Average: |
0.9 |
0.0 |
0.313 |
0 |
0 |
0 |
0.000 |
|