| ## |
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 |
|
I |
169 |
48 |
9891 |
◊ |
H |
x,y,z |
1_555 |
146 |
41 |
12773 |
1559.0 |
-10.5 |
0.440 |
14 |
14 |
0 |
0.536 |
2 |
|
W |
151 |
45 |
9796 |
◊ |
V |
x,y,z |
1_555 |
122 |
41 |
12310 |
1356.0 |
-16.8 |
0.213 |
8 |
8 |
0 |
0.536 |
| Average: |
1457.5 |
-13.6 |
0.327 |
11 |
11 |
0 |
0.536 |
| 2 |
3 |
|
Q |
138 |
34 |
12587 |
◊ |
P |
x,y,z |
1_555 |
169 |
42 |
13618 |
1423.4 |
-7.1 |
0.485 |
15 |
7 |
0 |
1.000 |
4 |
|
C |
135 |
33 |
12496 |
◊ |
B |
x,y,z |
1_555 |
161 |
42 |
13869 |
1394.4 |
-7.0 |
0.523 |
13 |
7 |
0 |
1.000 |
| Average: |
1408.9 |
-7.1 |
0.504 |
14 |
7 |
0 |
1.000 |
| 3 |
5 |
|
B |
140 |
34 |
13869 |
◊ |
A |
x,y,z |
1_555 |
161 |
44 |
11765 |
1412.9 |
-16.2 |
0.193 |
11 |
6 |
0 |
1.000 |
6 |
|
P |
138 |
34 |
13618 |
◊ |
O |
x,y,z |
1_555 |
160 |
44 |
11661 |
1392.7 |
-16.5 |
0.195 |
11 |
5 |
0 |
1.000 |
| Average: |
1402.8 |
-16.3 |
0.194 |
11 |
6 |
0 |
1.000 |
| 4 |
7 |
|
G |
159 |
41 |
13162 |
◊ |
A |
x,y,z |
1_555 |
140 |
36 |
11765 |
1387.4 |
-11.1 |
0.371 |
13 |
4 |
0 |
0.150 |
8 |
|
U |
145 |
39 |
12590 |
◊ |
O |
x,y,z |
1_555 |
138 |
36 |
11661 |
1283.0 |
-9.4 |
0.485 |
14 |
5 |
0 |
0.150 |
| Average: |
1335.2 |
-10.2 |
0.428 |
14 |
5 |
0 |
0.150 |
| 5 |
9 |
|
D |
150 |
38 |
11750 |
◊ |
C |
x,y,z |
1_555 |
155 |
40 |
12496 |
1364.7 |
-12.6 |
0.260 |
15 |
7 |
0 |
1.000 |
10 |
|
R |
134 |
36 |
11787 |
◊ |
Q |
x,y,z |
1_555 |
153 |
38 |
12587 |
1312.5 |
-13.2 |
0.206 |
12 |
4 |
0 |
1.000 |
| Average: |
1338.6 |
-12.9 |
0.233 |
14 |
6 |
0 |
1.000 |
| 6 |
11 |
|
T |
136 |
33 |
12014 |
◊ |
S |
x,y,z |
1_555 |
150 |
37 |
12330 |
1307.3 |
-11.3 |
0.288 |
9 |
1 |
0 |
1.000 |
12 |
|
F |
135 |
33 |
12182 |
◊ |
E |
x,y,z |
1_555 |
150 |
37 |
11848 |
1296.1 |
-11.3 |
0.275 |
10 |
1 |
0 |
1.000 |
| Average: |
1301.7 |
-11.3 |
0.282 |
10 |
1 |
0 |
1.000 |
| 7 |
13 |
|
U |
139 |
33 |
12590 |
◊ |
T |
x,y,z |
1_555 |
148 |
38 |
12014 |
1277.1 |
-15.1 |
0.181 |
8 |
6 |
0 |
0.153 |
14 |
|
G |
135 |
32 |
13162 |
◊ |
F |
x,y,z |
1_555 |
141 |
37 |
12182 |
1276.7 |
-14.1 |
0.154 |
9 |
3 |
0 |
0.153 |
| Average: |
1276.9 |
-14.6 |
0.167 |
9 |
5 |
0 |
0.153 |
| 8 |
15 |
|
Z |
125 |
31 |
10760 |
◊ |
H |
x,y,z |
1_555 |
121 |
32 |
12773 |
1202.5 |
-12.3 |
0.316 |
7 |
3 |
0 |
0.110 |
16 |
|
L |
116 |
29 |
10686 |
◊ |
V |
x,y,z |
1_555 |
122 |
33 |
12310 |
1144.8 |
-9.8 |
0.559 |
8 |
3 |
0 |
0.110 |
| Average: |
1173.6 |
-11.1 |
0.437 |
8 |
3 |
0 |
0.110 |
| 9 |
17 |
|
S |
111 |
31 |
12330 |
◊ |
R |
x,y,z |
1_555 |
131 |
38 |
11787 |
1145.4 |
-7.2 |
0.519 |
13 |
0 |
0 |
1.000 |
18 |
|
E |
111 |
31 |
11848 |
◊ |
D |
x,y,z |
1_555 |
135 |
38 |
11750 |
1138.2 |
-8.6 |
0.413 |
12 |
0 |
0 |
1.000 |
| Average: |
1141.8 |
-7.9 |
0.466 |
13 |
0 |
0 |
1.000 |
| 10 |
19 |
|
N |
105 |
30 |
10435 |
◊ |
a |
x,y,z |
1_555 |
116 |
24 |
11105 |
1074.9 |
-4.2 |
0.643 |
10 |
1 |
0 |
0.077 |
20 |
|
b |
101 |
31 |
10508 |
◊ |
M |
x,y,z |
1_555 |
118 |
24 |
11284 |
1062.1 |
-4.8 |
0.586 |
10 |
1 |
0 |
0.077 |
| Average: |
1068.5 |
-4.5 |
0.614 |
10 |
1 |
0 |
0.077 |
| 11 |
21 |
|
N |
102 |
27 |
10435 |
◊ |
b |
x,y,z |
1_555 |
103 |
25 |
10508 |
938.0 |
-11.9 |
0.218 |
4 |
8 |
0 |
0.081 |
| 12 |
22 |
|
M |
84 |
27 |
11284 |
◊ |
L |
x,y,z |
1_555 |
93 |
27 |
10686 |
877.2 |
-4.6 |
0.425 |
6 |
2 |
0 |
0.047 |
23 |
|
a |
82 |
26 |
11105 |
◊ |
Z |
x,y,z |
1_555 |
91 |
26 |
10760 |
857.0 |
-4.7 |
0.412 |
6 |
3 |
0 |
0.047 |
| Average: |
867.1 |
-4.7 |
0.419 |
6 |
3 |
0 |
0.047 |
| 13 |
24 |
|
X |
86 |
22 |
10182 |
◊ |
J |
x,y,z |
1_555 |
84 |
22 |
10196 |
797.9 |
-6.7 |
0.296 |
12 |
0 |
0 |
0.028 |
| 14 |
25 |
|
K |
89 |
25 |
9852 |
◊ |
W |
x,y,z |
1_555 |
82 |
22 |
9796 |
772.3 |
-2.7 |
0.532 |
13 |
3 |
0 |
0.043 |
26 |
|
Y |
89 |
25 |
9850 |
◊ |
I |
x,y,z |
1_555 |
79 |
22 |
9891 |
761.6 |
-3.1 |
0.465 |
13 |
3 |
0 |
0.043 |
| Average: |
767.0 |
-2.9 |
0.498 |
13 |
3 |
0 |
0.043 |
| 15 |
27 |
|
a |
74 |
18 |
11105 |
◊ |
H |
x,y,z |
1_555 |
92 |
23 |
12773 |
756.7 |
-9.9 |
0.175 |
5 |
6 |
0 |
0.542 |
28 |
|
M |
70 |
19 |
11284 |
◊ |
V |
x,y,z |
1_555 |
83 |
21 |
12310 |
706.3 |
-9.6 |
0.213 |
5 |
6 |
0 |
0.542 |
| Average: |
731.5 |
-9.7 |
0.194 |
5 |
6 |
0 |
0.542 |
| 16 |
29 |
|
X |
70 |
25 |
10182 |
◊ |
W |
x,y,z |
1_555 |
73 |
23 |
9796 |
704.1 |
-2.5 |
0.538 |
9 |
5 |
0 |
0.032 |
30 |
|
J |
72 |
25 |
10196 |
◊ |
I |
x,y,z |
1_555 |
75 |
23 |
9891 |
696.7 |
-2.3 |
0.524 |
8 |
5 |
0 |
0.032 |
| Average: |
700.4 |
-2.4 |
0.531 |
9 |
5 |
0 |
0.032 |
| 17 |
31 |
|
L |
79 |
21 |
10686 |
◊ |
W |
x,y,z |
1_555 |
85 |
21 |
9796 |
702.8 |
-3.9 |
0.532 |
7 |
6 |
0 |
0.045 |
32 |
|
Z |
78 |
21 |
10760 |
◊ |
I |
x,y,z |
1_555 |
85 |
21 |
9891 |
692.0 |
-4.1 |
0.463 |
6 |
6 |
0 |
0.045 |
| Average: |
697.4 |
-4.0 |
0.497 |
7 |
6 |
0 |
0.045 |
| 18 |
33 |
|
N |
73 |
20 |
10435 |
◊ |
M |
x,y,z |
1_555 |
76 |
23 |
11284 |
689.4 |
-5.0 |
0.453 |
10 |
8 |
0 |
0.075 |
34 |
|
b |
74 |
20 |
10508 |
◊ |
a |
x,y,z |
1_555 |
76 |
23 |
11105 |
687.8 |
-5.1 |
0.458 |
8 |
8 |
0 |
0.075 |
| Average: |
688.6 |
-5.1 |
0.455 |
9 |
8 |
0 |
0.075 |
| 19 |
35 |
|
Y |
70 |
13 |
9850 |
◊ |
J |
x,y,z |
1_555 |
70 |
14 |
10196 |
627.2 |
-3.5 |
0.391 |
6 |
9 |
0 |
0.034 |
36 |
|
K |
70 |
13 |
9852 |
◊ |
X |
x,y,z |
1_555 |
67 |
14 |
10182 |
623.0 |
-3.6 |
0.392 |
5 |
9 |
0 |
0.034 |
| Average: |
625.1 |
-3.5 |
0.392 |
6 |
9 |
0 |
0.034 |
| 20 |
37 |
|
F |
65 |
21 |
12182 |
◊ |
G |
x-1/2,-y+5/2,-z |
4_475 |
54 |
13 |
13162 |
594.0 |
4.0 |
0.901 |
5 |
8 |
0 |
0.000 |
| 21 |
38 |
|
K |
55 |
10 |
9852 |
◊ |
D |
x,y,z |
1_555 |
66 |
16 |
11750 |
588.0 |
-0.7 |
0.655 |
9 |
10 |
0 |
0.027 |
39 |
|
Y |
50 |
10 |
9850 |
◊ |
R |
x,y,z |
1_555 |
58 |
13 |
11787 |
561.7 |
-0.4 |
0.668 |
8 |
8 |
0 |
0.027 |
| Average: |
574.8 |
-0.6 |
0.661 |
9 |
9 |
0 |
0.027 |
| 22 |
40 |
|
K |
67 |
19 |
9852 |
◊ |
J |
x,y,z |
1_555 |
50 |
19 |
10196 |
548.8 |
-4.8 |
0.281 |
3 |
2 |
0 |
0.030 |
41 |
|
Y |
66 |
19 |
9850 |
◊ |
X |
x,y,z |
1_555 |
52 |
20 |
10182 |
539.1 |
-4.8 |
0.285 |
3 |
2 |
0 |
0.030 |
| Average: |
544.0 |
-4.8 |
0.283 |
3 |
2 |
0 |
0.030 |
| 23 |
42 |
|
b |
50 |
16 |
10508 |
◊ |
V |
x,y,z |
1_555 |
63 |
20 |
12310 |
525.7 |
-2.9 |
0.634 |
3 |
6 |
0 |
0.015 |
43 |
|
N |
52 |
16 |
10435 |
◊ |
H |
x,y,z |
1_555 |
61 |
20 |
12773 |
520.7 |
-2.2 |
0.631 |
4 |
7 |
0 |
0.015 |
| Average: |
523.2 |
-2.6 |
0.632 |
4 |
7 |
0 |
0.015 |
| 24 |
44 |
|
L |
60 |
20 |
10686 |
◊ |
K |
x,y,z |
1_555 |
57 |
20 |
9852 |
509.3 |
-3.0 |
0.369 |
4 |
4 |
0 |
0.025 |
45 |
|
Z |
58 |
20 |
10760 |
◊ |
Y |
x,y,z |
1_555 |
56 |
18 |
9850 |
505.4 |
-3.2 |
0.340 |
4 |
4 |
0 |
0.025 |
| Average: |
507.4 |
-3.1 |
0.354 |
4 |
4 |
0 |
0.025 |
| 25 |
46 |
|
M |
53 |
15 |
11284 |
◊ |
E |
x,y,z |
1_555 |
51 |
13 |
11848 |
503.9 |
-4.7 |
0.299 |
5 |
8 |
0 |
0.038 |
47 |
|
a |
53 |
15 |
11105 |
◊ |
S |
x,y,z |
1_555 |
49 |
13 |
12330 |
501.9 |
-4.7 |
0.307 |
5 |
8 |
0 |
0.038 |
| Average: |
502.9 |
-4.7 |
0.303 |
5 |
8 |
0 |
0.038 |
| 26 |
48 |
|
V |
48 |
11 |
12310 |
◊ |
U |
x,y,z |
1_555 |
58 |
16 |
12590 |
500.1 |
-1.5 |
0.569 |
3 |
6 |
0 |
0.000 |
49 |
|
H |
47 |
11 |
12773 |
◊ |
G |
x,y,z |
1_555 |
57 |
15 |
13162 |
485.0 |
-0.4 |
0.586 |
3 |
4 |
0 |
0.000 |
| Average: |
492.5 |
-1.0 |
0.577 |
3 |
5 |
0 |
0.000 |
| 27 |
50 |
|
X |
54 |
16 |
10182 |
◊ |
P |
x,y,z |
1_555 |
53 |
14 |
13618 |
466.2 |
-3.2 |
0.445 |
0 |
0 |
0 |
0.013 |
51 |
|
J |
50 |
14 |
10196 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
13869 |
458.0 |
-2.2 |
0.514 |
0 |
0 |
0 |
0.013 |
| Average: |
462.1 |
-2.7 |
0.480 |
0 |
0 |
0 |
0.013 |
| 28 |
52 |
|
I |
45 |
9 |
9891 |
◊ |
B |
x,y,z |
1_555 |
51 |
13 |
13869 |
453.0 |
-6.4 |
0.168 |
1 |
0 |
0 |
0.031 |
53 |
|
W |
42 |
9 |
9796 |
◊ |
P |
x,y,z |
1_555 |
50 |
13 |
13618 |
452.8 |
-6.2 |
0.179 |
1 |
0 |
0 |
0.031 |
| Average: |
452.9 |
-6.3 |
0.173 |
1 |
0 |
0 |
0.031 |
| 29 |
54 |
|
Z |
46 |
15 |
10760 |
◊ |
R |
x,y,z |
1_555 |
46 |
13 |
11787 |
429.5 |
-0.3 |
0.734 |
1 |
2 |
0 |
0.006 |
55 |
|
L |
45 |
15 |
10686 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
11750 |
413.5 |
-1.4 |
0.643 |
0 |
1 |
0 |
0.006 |
| Average: |
421.5 |
-0.8 |
0.688 |
1 |
2 |
0 |
0.006 |
| 30 |
56 |
|
J |
43 |
9 |
10196 |
◊ |
C |
x,y,z |
1_555 |
49 |
11 |
12496 |
429.4 |
-4.1 |
0.294 |
2 |
1 |
0 |
0.010 |
57 |
|
X |
43 |
9 |
10182 |
◊ |
Q |
x,y,z |
1_555 |
48 |
11 |
12587 |
422.4 |
-3.4 |
0.328 |
2 |
1 |
0 |
0.010 |
| Average: |
425.9 |
-3.8 |
0.311 |
2 |
1 |
0 |
0.010 |
| 31 |
58 |
|
H |
42 |
11 |
12773 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
11765 |
421.1 |
-2.8 |
0.479 |
2 |
2 |
0 |
0.000 |
59 |
|
V |
36 |
9 |
12310 |
◊ |
O |
x,y,z |
1_555 |
45 |
12 |
11661 |
377.7 |
-3.3 |
0.516 |
3 |
0 |
0 |
0.000 |
| Average: |
399.4 |
-3.0 |
0.498 |
3 |
1 |
0 |
0.000 |
| 32 |
60 |
|
b |
43 |
13 |
10508 |
◊ |
T |
x,y,z |
1_555 |
49 |
13 |
12014 |
418.7 |
-2.0 |
0.564 |
0 |
2 |
0 |
0.000 |
61 |
|
N |
44 |
14 |
10435 |
◊ |
F |
x,y,z |
1_555 |
50 |
13 |
12182 |
396.9 |
-1.8 |
0.569 |
0 |
0 |
0 |
0.000 |
| Average: |
407.8 |
-1.9 |
0.567 |
0 |
1 |
0 |
0.000 |
| 33 |
62 |
|
W |
47 |
13 |
9796 |
◊ |
O |
x,y,z |
1_555 |
41 |
11 |
11661 |
415.4 |
0.4 |
0.759 |
5 |
5 |
0 |
0.000 |
63 |
|
I |
44 |
13 |
9891 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
11765 |
381.0 |
-0.7 |
0.631 |
3 |
4 |
0 |
0.000 |
| Average: |
398.2 |
-0.1 |
0.695 |
4 |
5 |
0 |
0.000 |
| 34 |
64 |
|
Y |
38 |
15 |
9850 |
◊ |
Q |
x,y,z |
1_555 |
41 |
11 |
12587 |
386.5 |
1.8 |
0.707 |
5 |
7 |
0 |
0.003 |
65 |
|
K |
38 |
14 |
9852 |
◊ |
C |
x,y,z |
1_555 |
39 |
10 |
12496 |
349.4 |
0.8 |
0.689 |
4 |
5 |
0 |
0.003 |
| Average: |
368.0 |
1.3 |
0.698 |
5 |
6 |
0 |
0.003 |
| 35 |
66 |
|
b |
38 |
12 |
10508 |
◊ |
U |
x,y,z |
1_555 |
48 |
11 |
12590 |
386.3 |
-4.6 |
0.275 |
2 |
0 |
0 |
0.010 |
67 |
|
N |
38 |
12 |
10435 |
◊ |
G |
x,y,z |
1_555 |
45 |
11 |
13162 |
384.8 |
-4.1 |
0.284 |
2 |
0 |
0 |
0.010 |
| Average: |
385.5 |
-4.4 |
0.279 |
2 |
0 |
0 |
0.010 |
| 36 |
68 |
|
Z |
40 |
11 |
10760 |
◊ |
S |
x,y,z |
1_555 |
40 |
12 |
12330 |
371.0 |
-1.6 |
0.516 |
2 |
1 |
0 |
0.016 |
69 |
|
L |
37 |
10 |
10686 |
◊ |
E |
x,y,z |
1_555 |
45 |
11 |
11848 |
370.0 |
-2.2 |
0.472 |
4 |
2 |
0 |
0.016 |
| Average: |
370.5 |
-1.9 |
0.494 |
3 |
2 |
0 |
0.016 |
| 37 |
70 |
|
a |
29 |
8 |
11105 |
◊ |
T |
x,y,z |
1_555 |
42 |
10 |
12014 |
341.9 |
-1.4 |
0.434 |
2 |
1 |
0 |
0.000 |
71 |
|
M |
29 |
8 |
11284 |
◊ |
F |
x,y,z |
1_555 |
42 |
10 |
12182 |
328.2 |
-1.4 |
0.390 |
2 |
0 |
0 |
0.000 |
| Average: |
335.1 |
-1.4 |
0.412 |
2 |
1 |
0 |
0.000 |
| 38 |
72 |
|
J |
30 |
11 |
10196 |
◊ |
T |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
11 |
12014 |
278.8 |
-0.5 |
0.561 |
1 |
0 |
0 |
0.000 |
| 39 |
73 |
|
[6V1]S:148 |
15 |
1 |
406 |
cf |
S |
x,y,z |
1_555 |
32 |
15 |
12330 |
252.7 |
1.7 |
0.334 |
2 |
0 |
0 |
0.000 |
74 |
|
[6V1]E:148 |
15 |
1 |
404 |
cf |
E |
x,y,z |
1_555 |
32 |
15 |
11848 |
246.2 |
1.2 |
0.300 |
2 |
0 |
0 |
0.000 |
| Average: |
249.4 |
1.4 |
0.317 |
2 |
0 |
0 |
0.000 |
| 40 |
75 |
|
E |
27 |
8 |
11848 |
◊ |
R |
-x+1/2,-y+2,z-1/2 |
2_574 |
31 |
9 |
11787 |
251.3 |
-1.6 |
0.537 |
1 |
0 |
0 |
0.000 |
| 41 |
76 |
|
[6V1]J:91 |
15 |
1 |
411 |
cf |
J |
x,y,z |
1_555 |
36 |
11 |
10196 |
249.7 |
2.9 |
0.441 |
2 |
0 |
0 |
0.000 |
77 |
|
[6V1]X:91 |
15 |
1 |
412 |
cf |
X |
x,y,z |
1_555 |
35 |
11 |
10182 |
248.3 |
2.9 |
0.433 |
2 |
0 |
0 |
0.000 |
| Average: |
249.0 |
2.9 |
0.437 |
2 |
0 |
0 |
0.000 |
| 42 |
78 |
|
D |
34 |
11 |
11750 |
◊ |
S |
-x+1/2,-y+2,z-1/2 |
2_574 |
23 |
7 |
12330 |
240.9 |
0.8 |
0.732 |
0 |
0 |
0 |
0.000 |
| 43 |
79 |
|
[6V1]U:47 |
14 |
1 |
410 |
cf |
U |
x,y,z |
1_555 |
27 |
12 |
12590 |
235.6 |
1.7 |
0.340 |
1 |
0 |
0 |
0.000 |
| 44 |
80 |
|
[6V1]G:47 |
14 |
1 |
411 |
cf |
G |
x,y,z |
1_555 |
26 |
13 |
13162 |
228.6 |
1.2 |
0.308 |
1 |
0 |
0 |
0.000 |
| 45 |
81 |
|
[6VA]e:4 |
14 |
1 |
402 |
cf |
Y |
x,y,z |
1_555 |
36 |
16 |
9850 |
224.1 |
0.7 |
0.439 |
3 |
0 |
0 |
0.007 |
82 |
|
[6VA]c:4 |
14 |
1 |
398 |
cf |
K |
x,y,z |
1_555 |
36 |
15 |
9852 |
222.1 |
0.8 |
0.472 |
3 |
0 |
0 |
0.007 |
| Average: |
223.1 |
0.8 |
0.455 |
3 |
0 |
0 |
0.007 |
| 46 |
83 |
|
[6VA]d:4 |
14 |
1 |
400 |
c |
N |
x,y,z |
1_555 |
39 |
16 |
10435 |
216.9 |
1.5 |
0.585 |
3 |
0 |
0 |
0.000 |
| 47 |
84 |
|
[6VA]f:4 |
14 |
1 |
401 |
c |
b |
x,y,z |
1_555 |
39 |
16 |
10508 |
216.2 |
1.4 |
0.588 |
3 |
0 |
0 |
0.000 |
| 48 |
85 |
|
[6V1]G:161 |
14 |
1 |
408 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
11765 |
199.5 |
2.1 |
0.417 |
1 |
0 |
0 |
0.000 |
86 |
|
[6V1]U:161 |
13 |
1 |
408 |
◊ |
O |
x,y,z |
1_555 |
30 |
8 |
11661 |
194.0 |
1.5 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
196.7 |
1.8 |
0.395 |
1 |
0 |
0 |
0.000 |
| 49 |
87 |
|
E |
18 |
7 |
11848 |
◊ |
S |
-x+1/2,-y+2,z-1/2 |
2_574 |
24 |
8 |
12330 |
192.8 |
-1.0 |
0.448 |
1 |
1 |
0 |
0.000 |
| 50 |
88 |
|
P |
27 |
9 |
13618 |
◊ |
S |
x-1,y,z |
1_455 |
23 |
6 |
12330 |
189.4 |
-1.3 |
0.545 |
0 |
0 |
0 |
0.000 |
| 51 |
89 |
|
[1PE]W:302 |
15 |
1 |
489 |
◊ |
W |
x,y,z |
1_555 |
24 |
7 |
9796 |
189.3 |
2.9 |
0.859 |
1 |
0 |
0 |
0.000 |
| 52 |
90 |
|
[1PE]U:301 |
14 |
1 |
479 |
f |
b |
x,y,z |
1_555 |
31 |
9 |
10508 |
183.6 |
-3.7 |
0.325 |
0 |
0 |
0 |
0.031 |
| 53 |
91 |
|
d |
14 |
2 |
414 |
◊ |
N |
x,y,z |
1_555 |
26 |
12 |
10435 |
183.5 |
0.4 |
0.332 |
1 |
0 |
0 |
0.000 |
| 54 |
92 |
|
f |
14 |
2 |
404 |
◊ |
b |
x,y,z |
1_555 |
27 |
13 |
10508 |
182.4 |
0.7 |
0.351 |
1 |
0 |
0 |
0.000 |
| 55 |
93 |
|
[1PE]N:301 |
13 |
1 |
485 |
◊ |
N |
x,y,z |
1_555 |
29 |
9 |
10435 |
179.2 |
-1.3 |
0.399 |
0 |
0 |
0 |
0.002 |
| 56 |
94 |
|
F |
20 |
6 |
12182 |
◊ |
R |
-x+1/2,-y+2,z-1/2 |
2_574 |
22 |
7 |
11787 |
178.0 |
0.7 |
0.759 |
2 |
0 |
0 |
0.000 |
| 57 |
95 |
|
c |
14 |
2 |
401 |
◊ |
K |
x,y,z |
1_555 |
24 |
13 |
9852 |
177.3 |
0.5 |
0.307 |
1 |
0 |
0 |
0.000 |
| 58 |
96 |
|
D |
21 |
8 |
11750 |
◊ |
T |
-x+1/2,-y+2,z-1/2 |
2_574 |
16 |
6 |
12014 |
176.3 |
0.8 |
0.756 |
1 |
0 |
0 |
0.000 |
| 59 |
97 |
|
e |
14 |
2 |
396 |
◊ |
Y |
x,y,z |
1_555 |
25 |
13 |
9850 |
175.3 |
0.4 |
0.293 |
1 |
0 |
0 |
0.000 |
| 60 |
98 |
|
K |
22 |
9 |
9852 |
◊ |
U |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
3 |
12590 |
170.9 |
1.5 |
0.714 |
2 |
2 |
0 |
0.000 |
| 61 |
99 |
|
[1PE]I:302 |
14 |
1 |
484 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
9891 |
164.8 |
2.1 |
0.747 |
1 |
0 |
0 |
0.000 |
| 62 |
100 |
|
[1PE]K:302 |
14 |
1 |
473 |
◊ |
K |
x,y,z |
1_555 |
16 |
6 |
9852 |
146.2 |
-1.5 |
0.403 |
0 |
0 |
0 |
0.004 |
| 63 |
101 |
|
W |
15 |
6 |
9796 |
◊ |
H |
x-1,y,z |
1_455 |
15 |
5 |
12773 |
143.3 |
-0.7 |
0.496 |
0 |
0 |
0 |
0.000 |
| 64 |
102 |
|
M |
14 |
4 |
11284 |
◊ |
G |
x-1/2,-y+5/2,-z |
4_475 |
19 |
7 |
13162 |
133.3 |
1.6 |
0.786 |
1 |
2 |
0 |
0.000 |
| 65 |
103 |
|
S |
13 |
5 |
12330 |
◊ |
P |
x,y,z |
1_555 |
11 |
3 |
13618 |
132.6 |
1.9 |
0.712 |
1 |
3 |
0 |
0.000 |
104 |
|
E |
13 |
5 |
11848 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
13869 |
128.5 |
2.1 |
0.733 |
1 |
3 |
0 |
0.000 |
| Average: |
130.5 |
2.0 |
0.723 |
1 |
3 |
0 |
0.000 |
| 66 |
105 |
|
[6V1]U:161 |
9 |
1 |
408 |
cf |
U |
x,y,z |
1_555 |
13 |
6 |
12590 |
127.1 |
-0.7 |
0.206 |
2 |
0 |
0 |
0.013 |
106 |
|
[6V1]G:161 |
9 |
1 |
408 |
cf |
G |
x,y,z |
1_555 |
13 |
6 |
13162 |
120.8 |
-0.7 |
0.210 |
2 |
0 |
0 |
0.013 |
| Average: |
124.0 |
-0.7 |
0.208 |
2 |
0 |
0 |
0.013 |
| 67 |
107 |
|
[1PE]Y:301 |
11 |
1 |
480 |
◊ |
Y |
x,y,z |
1_555 |
15 |
5 |
9850 |
126.7 |
-0.8 |
0.441 |
0 |
0 |
0 |
0.002 |
| 68 |
108 |
|
Q |
17 |
5 |
12587 |
◊ |
M |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
6 |
11284 |
126.3 |
-0.5 |
0.547 |
1 |
1 |
0 |
0.000 |
| 69 |
109 |
|
G |
13 |
4 |
13162 |
◊ |
B |
x,y,z |
1_555 |
15 |
2 |
13869 |
124.7 |
-3.0 |
0.143 |
0 |
0 |
0 |
0.018 |
110 |
|
U |
14 |
4 |
12590 |
◊ |
P |
x,y,z |
1_555 |
15 |
2 |
13618 |
119.7 |
-2.5 |
0.237 |
0 |
0 |
0 |
0.018 |
| Average: |
122.2 |
-2.7 |
0.190 |
0 |
0 |
0 |
0.018 |
| 70 |
111 |
|
C |
11 |
3 |
12496 |
◊ |
S |
-x+1/2,-y+2,z-1/2 |
2_574 |
12 |
4 |
12330 |
118.6 |
1.6 |
0.840 |
3 |
1 |
0 |
0.000 |
| 71 |
112 |
|
D |
18 |
6 |
11750 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
13869 |
118.6 |
0.8 |
0.793 |
1 |
1 |
0 |
0.001 |
113 |
|
R |
17 |
5 |
11787 |
◊ |
P |
x,y,z |
1_555 |
12 |
2 |
13618 |
102.5 |
0.6 |
0.769 |
1 |
1 |
0 |
0.001 |
| Average: |
110.6 |
0.7 |
0.781 |
1 |
1 |
0 |
0.001 |
| 72 |
114 |
|
[K]Z:301 |
1 |
1 |
216 |
f |
Z |
x,y,z |
1_555 |
22 |
10 |
10760 |
110.0 |
-88.5 |
0.000 |
0 |
0 |
0 |
0.629 |
115 |
|
[K]L:302 |
1 |
1 |
216 |
f |
L |
x,y,z |
1_555 |
21 |
10 |
10686 |
108.8 |
-87.8 |
0.000 |
0 |
0 |
0 |
0.629 |
| Average: |
109.4 |
-88.2 |
0.000 |
0 |
0 |
0 |
0.629 |
| 73 |
116 |
|
[K]b:301 |
1 |
1 |
216 |
f |
b |
x,y,z |
1_555 |
14 |
8 |
10508 |
109.3 |
-82.2 |
0.000 |
0 |
0 |
0 |
0.899 |
117 |
|
[K]N:302 |
1 |
1 |
216 |
f |
N |
x,y,z |
1_555 |
14 |
8 |
10435 |
108.6 |
-82.1 |
0.000 |
0 |
0 |
0 |
0.899 |
| Average: |
108.9 |
-82.1 |
0.000 |
0 |
0 |
0 |
0.899 |
| 74 |
118 |
|
[K]G:301 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
12 |
7 |
13162 |
108.7 |
-100.3 |
0.000 |
0 |
0 |
0 |
0.869 |
119 |
|
[K]U:302 |
1 |
1 |
216 |
f |
U |
x,y,z |
1_555 |
12 |
7 |
12590 |
108.6 |
-100.3 |
0.000 |
0 |
0 |
0 |
0.869 |
| Average: |
108.6 |
-100.3 |
0.000 |
0 |
0 |
0 |
0.869 |
| 75 |
120 |
|
[1PE]H:303 |
10 |
1 |
430 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
12773 |
105.7 |
-1.7 |
0.488 |
0 |
0 |
0 |
0.063 |
| 76 |
121 |
|
F |
10 |
6 |
12182 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13869 |
103.4 |
0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
122 |
|
T |
9 |
5 |
12014 |
◊ |
P |
x,y,z |
1_555 |
10 |
3 |
13618 |
102.2 |
0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
| Average: |
102.8 |
0.2 |
0.515 |
0 |
0 |
0 |
0.000 |
| 77 |
123 |
|
X |
14 |
5 |
10182 |
◊ |
U |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
12590 |
99.7 |
0.0 |
0.512 |
0 |
0 |
0 |
0.000 |
| 78 |
124 |
|
F |
12 |
4 |
12182 |
◊ |
[6V1]G:47 |
x-1/2,-y+5/2,-z |
4_475 |
7 |
1 |
411 |
98.2 |
3.5 |
0.720 |
0 |
0 |
0 |
0.000 |
| 79 |
125 |
|
[1PE]H:303 |
9 |
1 |
430 |
◊ |
I |
x,y,z |
1_555 |
13 |
4 |
9891 |
96.3 |
-0.4 |
0.563 |
0 |
0 |
0 |
0.009 |
| 80 |
126 |
|
Q |
11 |
3 |
12587 |
◊ |
O |
x,y,z |
1_555 |
10 |
3 |
11661 |
95.3 |
-1.1 |
0.349 |
0 |
0 |
0 |
0.005 |
127 |
|
C |
12 |
3 |
12496 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
11765 |
92.6 |
-1.3 |
0.308 |
0 |
0 |
0 |
0.005 |
| Average: |
94.0 |
-1.2 |
0.329 |
0 |
0 |
0 |
0.005 |
| 81 |
128 |
|
[1PE]K:302 |
7 |
1 |
473 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
10686 |
94.4 |
-1.9 |
0.335 |
0 |
0 |
0 |
0.014 |
| 82 |
129 |
|
[ACT]f:101 |
4 |
1 |
182 |
◊ |
b |
x,y,z |
1_555 |
17 |
7 |
10508 |
93.2 |
-1.0 |
0.574 |
0 |
0 |
0 |
0.000 |
| 83 |
130 |
|
E |
12 |
4 |
11848 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
6 |
11765 |
92.7 |
0.4 |
0.629 |
0 |
0 |
0 |
0.000 |
| 84 |
131 |
|
C |
11 |
5 |
12496 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
13 |
4 |
13869 |
91.8 |
-0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
| 85 |
132 |
|
[1PE]N:301 |
10 |
1 |
485 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
12773 |
91.5 |
-1.4 |
0.383 |
1 |
0 |
0 |
0.066 |
| 86 |
133 |
|
[ACT]d:101 |
4 |
1 |
182 |
◊ |
N |
x,y,z |
1_555 |
17 |
7 |
10435 |
91.3 |
-1.0 |
0.575 |
0 |
0 |
0 |
0.000 |
| 87 |
134 |
|
L |
11 |
4 |
10686 |
◊ |
I |
x-1,y,z |
1_455 |
10 |
3 |
9891 |
90.5 |
-0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
| 88 |
135 |
|
[1PE]a:301 |
9 |
1 |
477 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
12773 |
90.1 |
-0.9 |
0.422 |
0 |
0 |
0 |
0.006 |
136 |
|
[1PE]L:301 |
11 |
1 |
476 |
◊ |
V |
x,y,z |
1_555 |
9 |
4 |
12310 |
86.1 |
-0.7 |
0.454 |
0 |
0 |
0 |
0.006 |
| Average: |
88.1 |
-0.8 |
0.438 |
0 |
0 |
0 |
0.006 |
| 89 |
137 |
|
[6V9]e:1 |
7 |
1 |
274 |
◊ |
Z |
x,y,z |
1_555 |
12 |
5 |
10760 |
88.9 |
1.6 |
0.348 |
0 |
0 |
0 |
0.000 |
138 |
|
[6V9]c:1 |
7 |
1 |
273 |
◊ |
L |
x,y,z |
1_555 |
12 |
5 |
10686 |
88.0 |
1.7 |
0.352 |
0 |
0 |
0 |
0.000 |
| Average: |
88.4 |
1.7 |
0.350 |
0 |
0 |
0 |
0.000 |
| 90 |
139 |
|
[1PE]Y:301 |
6 |
1 |
480 |
f |
Z |
x,y,z |
1_555 |
11 |
4 |
10760 |
86.1 |
-1.5 |
0.373 |
0 |
0 |
0 |
0.010 |
| 91 |
140 |
|
[1PE]U:301 |
9 |
1 |
479 |
◊ |
V |
x,y,z |
1_555 |
10 |
3 |
12310 |
81.1 |
-0.6 |
0.547 |
2 |
0 |
0 |
0.002 |
| 92 |
141 |
|
[1PE]Y:301 |
7 |
1 |
480 |
◊ |
R |
x,y,z |
1_555 |
13 |
3 |
11787 |
80.0 |
-0.3 |
0.589 |
0 |
0 |
0 |
0.000 |
| 93 |
142 |
|
[ACT]e:101 |
4 |
1 |
183 |
f |
Y |
x,y,z |
1_555 |
14 |
6 |
9850 |
78.9 |
-0.6 |
0.566 |
0 |
0 |
0 |
0.007 |
| 94 |
143 |
|
[ACT]c:101 |
4 |
1 |
183 |
f |
K |
x,y,z |
1_555 |
14 |
6 |
9852 |
78.3 |
-0.5 |
0.570 |
1 |
0 |
0 |
0.011 |
| 95 |
144 |
|
[1PE]L:301 |
7 |
1 |
476 |
◊ |
M |
x,y,z |
1_555 |
11 |
2 |
11284 |
75.3 |
0.2 |
0.552 |
0 |
0 |
0 |
0.000 |
145 |
|
[1PE]a:301 |
7 |
1 |
477 |
◊ |
a |
x,y,z |
1_555 |
11 |
2 |
11105 |
73.0 |
0.5 |
0.589 |
0 |
0 |
0 |
0.000 |
| Average: |
74.2 |
0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
| 96 |
146 |
|
V |
14 |
8 |
12310 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
5 |
12773 |
72.6 |
0.1 |
0.712 |
1 |
0 |
0 |
0.000 |
| 97 |
147 |
|
[1PE]a:301 |
5 |
1 |
477 |
◊ |
N |
x,y,z |
1_555 |
12 |
4 |
10435 |
67.2 |
-0.3 |
0.509 |
0 |
0 |
0 |
0.000 |
148 |
|
[1PE]L:301 |
5 |
1 |
476 |
◊ |
b |
x,y,z |
1_555 |
10 |
4 |
10508 |
65.1 |
-0.3 |
0.487 |
0 |
0 |
0 |
0.000 |
| Average: |
66.1 |
-0.3 |
0.498 |
0 |
0 |
0 |
0.001 |
| 98 |
149 |
|
[6VA]e:4 |
7 |
1 |
402 |
c |
e |
x,y,z |
1_555 |
6 |
2 |
396 |
66.4 |
-0.1 |
0.228 |
0 |
0 |
0 |
0.000 |
| 99 |
150 |
|
[6VA]c:4 |
6 |
1 |
398 |
c |
c |
x,y,z |
1_555 |
6 |
2 |
401 |
66.2 |
-0.3 |
0.250 |
0 |
0 |
0 |
0.000 |
| 100 |
151 |
|
[6VA]d:4 |
7 |
1 |
400 |
cf |
d |
x,y,z |
1_555 |
8 |
2 |
414 |
65.7 |
-0.2 |
0.219 |
0 |
0 |
0 |
0.000 |
| 101 |
152 |
|
[6VA]f:4 |
7 |
1 |
401 |
cf |
f |
x,y,z |
1_555 |
8 |
2 |
404 |
65.4 |
-0.1 |
0.214 |
0 |
0 |
0 |
0.000 |
| 102 |
153 |
|
R |
12 |
5 |
11787 |
◊ |
N |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
4 |
10435 |
58.2 |
0.6 |
0.693 |
0 |
0 |
0 |
0.000 |
| 103 |
154 |
|
[6V9]e:1 |
4 |
1 |
274 |
cf |
e |
x,y,z |
1_555 |
7 |
2 |
396 |
57.2 |
2.3 |
0.349 |
0 |
0 |
0 |
0.000 |
| 104 |
155 |
|
[6V9]f:1 |
4 |
1 |
274 |
cf |
f |
x,y,z |
1_555 |
8 |
2 |
404 |
57.1 |
2.4 |
0.336 |
0 |
0 |
0 |
0.000 |
| 105 |
156 |
|
[6V9]c:1 |
4 |
1 |
273 |
cf |
c |
x,y,z |
1_555 |
8 |
2 |
401 |
56.5 |
2.3 |
0.329 |
0 |
0 |
0 |
0.000 |
| 106 |
157 |
|
d |
5 |
1 |
414 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
12773 |
56.1 |
1.2 |
0.561 |
0 |
0 |
0 |
0.000 |
| 107 |
158 |
|
[6V9]d:1 |
4 |
1 |
271 |
cf |
d |
x,y,z |
1_555 |
7 |
2 |
414 |
54.8 |
2.2 |
0.351 |
0 |
0 |
0 |
0.000 |
| 108 |
159 |
|
f |
5 |
1 |
404 |
◊ |
V |
x,y,z |
1_555 |
13 |
4 |
12310 |
54.8 |
1.1 |
0.596 |
0 |
0 |
0 |
0.000 |
| 109 |
160 |
|
[1PE]U:301 |
5 |
1 |
479 |
◊ |
U |
x,y,z |
1_555 |
9 |
2 |
12590 |
53.8 |
-0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
| 110 |
161 |
|
F |
4 |
3 |
12182 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11765 |
53.1 |
0.3 |
0.694 |
0 |
0 |
0 |
0.000 |
162 |
|
T |
3 |
2 |
12014 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
11661 |
34.0 |
0.3 |
0.771 |
0 |
0 |
0 |
0.000 |
| Average: |
43.5 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
| 111 |
163 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
11 |
7 |
9891 |
51.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.199 |
164 |
|
[MG]W:301 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
12 |
7 |
9796 |
51.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.199 |
| Average: |
51.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.199 |
| 112 |
165 |
|
[1PE]K:302 |
4 |
1 |
473 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
11750 |
50.8 |
-0.6 |
0.517 |
1 |
0 |
0 |
0.002 |
| 113 |
166 |
|
[K]N:302 |
1 |
1 |
216 |
◊ |
a |
x,y,z |
1_555 |
10 |
6 |
11105 |
50.7 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.221 |
167 |
|
[K]b:301 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
10 |
6 |
11284 |
50.7 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.221 |
| Average: |
50.7 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.221 |
| 114 |
168 |
|
e |
4 |
1 |
396 |
◊ |
Z |
x,y,z |
1_555 |
8 |
4 |
10760 |
49.9 |
0.3 |
0.508 |
1 |
0 |
0 |
0.000 |
| 115 |
169 |
|
[1PE]L:301 |
4 |
1 |
476 |
f |
L |
x,y,z |
1_555 |
8 |
1 |
10686 |
49.8 |
-1.6 |
0.307 |
0 |
0 |
0 |
0.011 |
170 |
|
[1PE]a:301 |
4 |
1 |
477 |
f |
Z |
x,y,z |
1_555 |
7 |
1 |
10760 |
48.0 |
-1.3 |
0.333 |
0 |
0 |
0 |
0.011 |
| Average: |
48.9 |
-1.4 |
0.320 |
0 |
0 |
0 |
0.011 |
| 116 |
171 |
|
[6V9]f:1 |
5 |
1 |
274 |
◊ |
V |
x,y,z |
1_555 |
6 |
1 |
12310 |
49.7 |
0.5 |
0.333 |
0 |
0 |
0 |
0.000 |
172 |
|
[6V9]d:1 |
5 |
1 |
271 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
12773 |
48.5 |
0.5 |
0.294 |
0 |
0 |
0 |
0.000 |
| Average: |
49.1 |
0.5 |
0.313 |
0 |
0 |
0 |
0.000 |
| 117 |
173 |
|
c |
5 |
1 |
401 |
◊ |
L |
x,y,z |
1_555 |
7 |
4 |
10686 |
49.5 |
0.2 |
0.476 |
1 |
0 |
0 |
0.000 |
| 118 |
174 |
|
[6V9]d:1 |
4 |
1 |
271 |
◊ |
N |
x,y,z |
1_555 |
7 |
5 |
10435 |
48.7 |
0.1 |
0.334 |
0 |
0 |
0 |
0.000 |
175 |
|
[6V9]f:1 |
5 |
1 |
274 |
◊ |
b |
x,y,z |
1_555 |
8 |
5 |
10508 |
48.6 |
0.1 |
0.328 |
0 |
0 |
0 |
0.000 |
| Average: |
48.7 |
0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
| 119 |
176 |
|
[1PE]I:302 |
4 |
1 |
484 |
◊ |
J |
x,y,z |
1_555 |
6 |
1 |
10196 |
48.7 |
0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
| 120 |
177 |
|
D |
5 |
2 |
11750 |
◊ |
Q |
-x+1/2,-y+2,z-1/2 |
2_574 |
5 |
2 |
12587 |
48.1 |
0.2 |
0.672 |
0 |
0 |
0 |
0.000 |
| 121 |
178 |
|
[ACT]e:101 |
3 |
1 |
183 |
f |
[6VA]e:4 |
x,y,z |
1_555 |
4 |
1 |
402 |
43.8 |
0.2 |
0.563 |
3 |
0 |
0 |
0.013 |
| 122 |
179 |
|
[1PE]N:301 |
5 |
1 |
485 |
◊ |
G |
x,y,z |
1_555 |
7 |
1 |
13162 |
43.4 |
-0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
| 123 |
180 |
|
[MG]J:301 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
9 |
5 |
10196 |
43.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.190 |
181 |
|
[MG]X:301 |
1 |
1 |
98 |
f |
X |
x,y,z |
1_555 |
9 |
4 |
10182 |
38.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
40.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.190 |
| 124 |
182 |
|
[ACT]c:101 |
3 |
1 |
183 |
f |
[6VA]c:4 |
x,y,z |
1_555 |
4 |
1 |
398 |
41.8 |
0.1 |
0.545 |
3 |
0 |
0 |
0.014 |
| 125 |
183 |
|
[ACT]f:101 |
3 |
1 |
182 |
f |
[6VA]f:4 |
x,y,z |
1_555 |
5 |
1 |
401 |
40.9 |
0.1 |
0.529 |
3 |
0 |
0 |
0.000 |
| 126 |
184 |
|
[ACT]d:101 |
3 |
1 |
182 |
f |
[6VA]d:4 |
x,y,z |
1_555 |
5 |
1 |
400 |
40.5 |
0.1 |
0.524 |
3 |
0 |
0 |
0.000 |
| 127 |
185 |
|
[MG]H:302 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
12773 |
40.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.283 |
186 |
|
[MG]L:303 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
10 |
6 |
12310 |
40.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.283 |
| Average: |
40.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.283 |
| 128 |
187 |
|
[MG]I:303 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
8 |
6 |
9850 |
39.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.074 |
188 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
9852 |
39.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
39.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.074 |
| 129 |
189 |
|
[MG]V:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
6 |
3 |
12310 |
39.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.175 |
190 |
|
[MG]H:301 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
5 |
3 |
12773 |
36.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.175 |
| Average: |
37.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.175 |
| 130 |
191 |
|
[K]L:302 |
1 |
1 |
216 |
◊ |
V |
x,y,z |
1_555 |
4 |
3 |
12310 |
37.3 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.143 |
192 |
|
[K]Z:301 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
12773 |
36.9 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
37.1 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.143 |
| 131 |
193 |
|
[1PE]W:302 |
3 |
1 |
489 |
f |
X |
x,y,z |
1_555 |
7 |
3 |
10182 |
35.5 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
| 132 |
194 |
|
[6V9]e:1 |
4 |
1 |
274 |
◊ |
Y |
x,y,z |
1_555 |
6 |
5 |
9850 |
35.2 |
0.5 |
0.357 |
0 |
0 |
0 |
0.000 |
195 |
|
[6V9]c:1 |
4 |
1 |
273 |
◊ |
K |
x,y,z |
1_555 |
6 |
5 |
9852 |
33.6 |
0.4 |
0.330 |
0 |
0 |
0 |
0.000 |
| Average: |
34.4 |
0.4 |
0.344 |
0 |
0 |
0 |
0.000 |
| 133 |
196 |
|
[MG]V:301 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
4 |
2 |
10508 |
29.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.009 |
197 |
|
[MG]H:301 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
5 |
2 |
10435 |
29.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
29.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 134 |
198 |
|
[MG]I:303 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
9891 |
28.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
199 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
4 |
1 |
9796 |
28.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
28.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 135 |
200 |
|
[MG]L:303 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
10686 |
26.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.021 |
201 |
|
[MG]H:302 |
1 |
1 |
98 |
◊ |
Z |
x,y,z |
1_555 |
5 |
2 |
10760 |
26.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
26.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.021 |
| 136 |
202 |
|
[1PE]I:302 |
2 |
1 |
484 |
f |
[1PE]H:303 |
x,y,z |
1_555 |
4 |
1 |
430 |
25.6 |
-0.5 |
0.542 |
0 |
0 |
0 |
0.019 |
| 137 |
203 |
|
W |
2 |
1 |
9796 |
◊ |
Z |
x-1,y,z |
1_455 |
5 |
4 |
10760 |
22.2 |
0.4 |
0.779 |
0 |
0 |
0 |
0.000 |
| 138 |
204 |
|
[MG]X:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
9850 |
20.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.011 |
205 |
|
[MG]J:301 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
9852 |
18.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
19.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 139 |
206 |
|
[ACT]e:101 |
1 |
1 |
183 |
◊ |
e |
x,y,z |
1_555 |
3 |
1 |
396 |
19.0 |
0.2 |
0.623 |
0 |
0 |
0 |
0.000 |
| 140 |
207 |
|
[ACT]c:101 |
1 |
1 |
183 |
◊ |
c |
x,y,z |
1_555 |
3 |
1 |
401 |
18.9 |
0.2 |
0.623 |
0 |
0 |
0 |
0.000 |
| 141 |
208 |
|
V |
2 |
2 |
12310 |
◊ |
I |
x-1,y,z |
1_455 |
2 |
1 |
9891 |
18.4 |
-0.4 |
0.353 |
0 |
0 |
0 |
0.000 |
| 142 |
209 |
|
[ACT]d:101 |
1 |
1 |
182 |
f |
d |
x,y,z |
1_555 |
3 |
1 |
414 |
18.0 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
| 143 |
210 |
|
V |
2 |
2 |
12310 |
◊ |
Z |
x-1,y,z |
1_455 |
4 |
2 |
10760 |
17.6 |
-0.3 |
0.442 |
0 |
0 |
0 |
0.000 |
| 144 |
211 |
|
E |
1 |
1 |
11848 |
◊ |
P |
-x+1/2,-y+2,z-1/2 |
2_574 |
2 |
1 |
13618 |
16.3 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
| 145 |
212 |
|
S |
2 |
1 |
12330 |
◊ |
Q |
x,y,z |
1_555 |
3 |
1 |
12587 |
16.2 |
0.1 |
0.510 |
0 |
0 |
0 |
0.000 |
213 |
|
E |
2 |
1 |
11848 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12496 |
13.6 |
-0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
| Average: |
14.9 |
0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
| 146 |
214 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
3 |
2 |
9850 |
15.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
215 |
|
[MG]W:301 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
9852 |
15.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
15.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 147 |
216 |
|
[6VA]c:4 |
2 |
1 |
398 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
10686 |
15.6 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
217 |
|
[6VA]e:4 |
2 |
1 |
402 |
◊ |
Z |
x,y,z |
1_555 |
2 |
1 |
10760 |
15.3 |
0.2 |
0.626 |
0 |
0 |
0 |
0.000 |
| Average: |
15.4 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
| 148 |
218 |
|
L |
3 |
2 |
10686 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
11765 |
15.2 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
| 149 |
219 |
|
[ACT]f:101 |
1 |
1 |
182 |
f |
f |
x,y,z |
1_555 |
2 |
1 |
404 |
14.9 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
| 150 |
220 |
|
[K]U:302 |
1 |
1 |
216 |
◊ |
T |
x,y,z |
1_555 |
2 |
1 |
12014 |
14.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.063 |
221 |
|
[K]G:301 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12182 |
14.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
14.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.063 |
| 151 |
222 |
|
[6V1]E:148 |
2 |
1 |
404 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12182 |
12.0 |
0.5 |
0.580 |
0 |
0 |
0 |
0.000 |
223 |
|
[6V1]S:148 |
3 |
1 |
406 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
12014 |
10.7 |
0.4 |
0.529 |
0 |
0 |
0 |
0.000 |
| Average: |
11.3 |
0.4 |
0.555 |
0 |
0 |
0 |
0.000 |
| 152 |
224 |
|
[6VA]f:4 |
2 |
1 |
401 |
◊ |
V |
x,y,z |
1_555 |
2 |
2 |
12310 |
11.7 |
0.4 |
0.663 |
0 |
0 |
0 |
0.000 |
| 153 |
225 |
|
[6VA]d:4 |
2 |
1 |
400 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
12773 |
9.2 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
| 154 |
226 |
|
W |
2 |
1 |
9796 |
◊ |
a |
x-1,y,z |
1_455 |
1 |
1 |
11105 |
7.5 |
0.3 |
0.825 |
0 |
0 |
0 |
0.000 |
| 155 |
227 |
|
E |
3 |
2 |
11848 |
◊ |
Q |
-x+1/2,-y+2,z-1/2 |
2_574 |
2 |
2 |
12587 |
5.8 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
| 156 |
228 |
|
H |
1 |
1 |
12773 |
◊ |
U |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
12590 |
5.8 |
0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
| 157 |
229 |
|
D |
1 |
1 |
11750 |
◊ |
R |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
11787 |
3.7 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
| 158 |
230 |
|
[1PE]I:302 |
1 |
1 |
484 |
◊ |
[6V1]J:91 |
x,y,z |
1_555 |
1 |
1 |
411 |
3.1 |
-0.0 |
0.408 |
0 |
0 |
0 |
0.000 |
| 159 |
231 |
|
O |
2 |
1 |
11661 |
◊ |
S |
x-1,y,z |
1_455 |
1 |
1 |
12330 |
2.8 |
-0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
| 160 |
232 |
|
[6V9]f:1 |
1 |
1 |
274 |
◊ |
[1PE]L:301 |
x,y,z |
1_555 |
1 |
1 |
476 |
1.4 |
-0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
| 161 |
233 |
|
[1PE]W:302 |
1 |
1 |
489 |
f |
[6V1]X:91 |
x,y,z |
1_555 |
1 |
1 |
412 |
0.6 |
0.0 |
0.408 |
0 |
0 |
0 |
0.000 |
|