| ## |
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 |
172 |
51 |
10148 |
◊ |
H |
x,y,z |
1_555 |
160 |
43 |
13118 |
1581.5 |
-13.7 |
0.264 |
25 |
13 |
0 |
0.597 |
2 |
|
W |
174 |
52 |
10152 |
◊ |
V |
x,y,z |
1_555 |
159 |
43 |
13115 |
1576.1 |
-13.7 |
0.259 |
25 |
14 |
0 |
0.597 |
| Average: |
1578.8 |
-13.7 |
0.261 |
25 |
14 |
0 |
0.597 |
| 2 |
3 |
|
C |
154 |
34 |
13119 |
◊ |
B |
x,y,z |
1_555 |
177 |
42 |
12939 |
1540.5 |
-11.3 |
0.215 |
20 |
3 |
0 |
0.356 |
4 |
|
Q |
147 |
33 |
13125 |
◊ |
P |
x,y,z |
1_555 |
175 |
42 |
12921 |
1515.8 |
-11.1 |
0.215 |
20 |
3 |
0 |
0.356 |
| Average: |
1528.2 |
-11.2 |
0.215 |
20 |
3 |
0 |
0.356 |
| 3 |
5 |
|
U |
139 |
32 |
12833 |
◊ |
T |
x,y,z |
1_555 |
155 |
39 |
12461 |
1400.2 |
-13.9 |
0.139 |
18 |
4 |
0 |
0.446 |
6 |
|
G |
140 |
33 |
12842 |
◊ |
F |
x,y,z |
1_555 |
157 |
39 |
12482 |
1399.6 |
-13.5 |
0.157 |
17 |
3 |
0 |
0.446 |
| Average: |
1399.9 |
-13.7 |
0.148 |
18 |
4 |
0 |
0.446 |
| 4 |
7 |
|
U |
150 |
39 |
12833 |
◊ |
O |
x,y,z |
1_555 |
143 |
38 |
13533 |
1392.5 |
-16.7 |
0.107 |
15 |
1 |
0 |
0.338 |
8 |
|
G |
151 |
40 |
12842 |
◊ |
A |
x,y,z |
1_555 |
141 |
37 |
13551 |
1384.4 |
-16.5 |
0.108 |
15 |
1 |
0 |
0.338 |
| Average: |
1388.5 |
-16.6 |
0.107 |
15 |
1 |
0 |
0.338 |
| 5 |
9 |
|
L |
153 |
38 |
11829 |
◊ |
V |
x,y,z |
1_555 |
133 |
35 |
13115 |
1379.3 |
-6.1 |
0.477 |
17 |
4 |
0 |
0.220 |
10 |
|
Z |
149 |
37 |
11827 |
◊ |
H |
x,y,z |
1_555 |
132 |
35 |
13118 |
1372.1 |
-6.0 |
0.487 |
17 |
4 |
0 |
0.220 |
| Average: |
1375.7 |
-6.0 |
0.482 |
17 |
4 |
0 |
0.220 |
| 6 |
11 |
|
T |
144 |
34 |
12461 |
◊ |
S |
x,y,z |
1_555 |
143 |
39 |
11824 |
1347.1 |
-12.1 |
0.165 |
18 |
4 |
0 |
0.409 |
12 |
|
F |
146 |
34 |
12482 |
◊ |
E |
x,y,z |
1_555 |
145 |
39 |
11818 |
1343.6 |
-12.0 |
0.171 |
17 |
3 |
0 |
0.409 |
| Average: |
1345.3 |
-12.0 |
0.168 |
18 |
4 |
0 |
0.409 |
| 7 |
13 |
|
b |
147 |
40 |
9619 |
◊ |
M |
x,y,z |
1_555 |
136 |
30 |
12561 |
1337.8 |
-8.3 |
0.351 |
23 |
5 |
0 |
0.466 |
14 |
|
N |
149 |
40 |
9613 |
◊ |
a |
x,y,z |
1_555 |
136 |
29 |
12557 |
1331.5 |
-8.3 |
0.348 |
23 |
4 |
0 |
0.466 |
| Average: |
1334.6 |
-8.3 |
0.350 |
23 |
5 |
0 |
0.466 |
| 8 |
15 |
|
P |
143 |
37 |
12921 |
◊ |
O |
x,y,z |
1_555 |
158 |
42 |
13533 |
1327.3 |
-15.8 |
0.130 |
15 |
1 |
0 |
0.349 |
16 |
|
B |
143 |
37 |
12939 |
◊ |
A |
x,y,z |
1_555 |
153 |
39 |
13551 |
1325.7 |
-15.9 |
0.123 |
13 |
1 |
0 |
0.349 |
| Average: |
1326.5 |
-15.8 |
0.126 |
14 |
1 |
0 |
0.349 |
| 9 |
17 |
|
D |
135 |
34 |
12363 |
◊ |
C |
x,y,z |
1_555 |
143 |
37 |
13119 |
1301.8 |
-12.1 |
0.138 |
17 |
2 |
0 |
0.552 |
18 |
|
R |
135 |
34 |
12372 |
◊ |
Q |
x,y,z |
1_555 |
145 |
38 |
13125 |
1301.1 |
-12.1 |
0.142 |
17 |
3 |
0 |
0.552 |
| Average: |
1301.5 |
-12.1 |
0.140 |
17 |
3 |
0 |
0.552 |
| 10 |
19 |
|
S |
107 |
30 |
11824 |
◊ |
R |
x,y,z |
1_555 |
112 |
30 |
12372 |
1019.6 |
-10.8 |
0.130 |
12 |
4 |
0 |
1.000 |
20 |
|
E |
106 |
30 |
11818 |
◊ |
D |
x,y,z |
1_555 |
109 |
30 |
12363 |
1005.7 |
-10.7 |
0.126 |
11 |
4 |
0 |
1.000 |
| Average: |
1012.7 |
-10.8 |
0.128 |
12 |
4 |
0 |
1.000 |
| 11 |
21 |
|
K |
107 |
28 |
10381 |
◊ |
W |
x,y,z |
1_555 |
103 |
25 |
10152 |
972.5 |
-3.1 |
0.572 |
18 |
5 |
0 |
0.391 |
22 |
|
Y |
106 |
28 |
10400 |
◊ |
I |
x,y,z |
1_555 |
104 |
25 |
10148 |
959.8 |
-3.4 |
0.573 |
18 |
5 |
0 |
0.391 |
| Average: |
966.2 |
-3.2 |
0.572 |
18 |
5 |
0 |
0.391 |
| 12 |
23 |
|
a |
94 |
28 |
12557 |
◊ |
Z |
x,y,z |
1_555 |
95 |
29 |
11827 |
951.4 |
-1.2 |
0.617 |
13 |
9 |
0 |
0.083 |
24 |
|
M |
95 |
27 |
12561 |
◊ |
L |
x,y,z |
1_555 |
93 |
29 |
11829 |
945.6 |
-1.3 |
0.609 |
13 |
9 |
0 |
0.083 |
| Average: |
948.5 |
-1.3 |
0.613 |
13 |
9 |
0 |
0.083 |
| 13 |
25 |
|
M |
86 |
22 |
12561 |
◊ |
V |
x,y,z |
1_555 |
96 |
27 |
13115 |
883.9 |
-11.1 |
0.152 |
4 |
1 |
0 |
0.128 |
26 |
|
a |
85 |
22 |
12557 |
◊ |
H |
x,y,z |
1_555 |
94 |
27 |
13118 |
872.3 |
-11.2 |
0.144 |
3 |
1 |
0 |
0.128 |
| Average: |
878.1 |
-11.2 |
0.148 |
4 |
1 |
0 |
0.128 |
| 14 |
27 |
|
K |
88 |
22 |
10381 |
◊ |
X |
x,y,z |
1_555 |
84 |
19 |
10239 |
754.8 |
-2.7 |
0.452 |
8 |
9 |
0 |
0.055 |
28 |
|
Y |
88 |
22 |
10400 |
◊ |
J |
x,y,z |
1_555 |
84 |
19 |
10235 |
745.6 |
-2.7 |
0.455 |
8 |
9 |
0 |
0.055 |
| Average: |
750.2 |
-2.7 |
0.453 |
8 |
9 |
0 |
0.055 |
| 15 |
29 |
|
X |
77 |
19 |
10239 |
◊ |
J |
x,y,z |
1_555 |
77 |
19 |
10235 |
703.9 |
-2.0 |
0.437 |
12 |
2 |
0 |
0.028 |
| 16 |
30 |
|
L |
87 |
22 |
11829 |
◊ |
W |
x,y,z |
1_555 |
88 |
19 |
10152 |
701.8 |
-2.7 |
0.464 |
7 |
6 |
0 |
0.104 |
31 |
|
Z |
85 |
21 |
11827 |
◊ |
I |
x,y,z |
1_555 |
83 |
19 |
10148 |
697.1 |
-2.6 |
0.466 |
7 |
6 |
0 |
0.104 |
| Average: |
699.4 |
-2.7 |
0.465 |
7 |
6 |
0 |
0.104 |
| 17 |
32 |
|
Z |
81 |
24 |
11827 |
◊ |
Y |
x,y,z |
1_555 |
81 |
25 |
10400 |
701.6 |
-3.0 |
0.361 |
13 |
5 |
0 |
0.072 |
33 |
|
L |
81 |
24 |
11829 |
◊ |
K |
x,y,z |
1_555 |
82 |
25 |
10381 |
696.1 |
-3.1 |
0.355 |
14 |
5 |
0 |
0.072 |
| Average: |
698.8 |
-3.1 |
0.358 |
14 |
5 |
0 |
0.072 |
| 18 |
34 |
|
V |
60 |
18 |
13115 |
◊ |
O |
x,y,z |
1_555 |
77 |
21 |
13533 |
675.2 |
-4.9 |
0.439 |
12 |
4 |
0 |
0.156 |
35 |
|
H |
63 |
17 |
13118 |
◊ |
A |
x,y,z |
1_555 |
76 |
21 |
13551 |
670.5 |
-4.6 |
0.466 |
12 |
4 |
0 |
0.156 |
| Average: |
672.9 |
-4.8 |
0.453 |
12 |
4 |
0 |
0.156 |
| 19 |
36 |
|
Y |
72 |
23 |
10400 |
◊ |
X |
x,y,z |
1_555 |
63 |
18 |
10239 |
651.1 |
-0.9 |
0.589 |
7 |
4 |
0 |
0.034 |
37 |
|
K |
72 |
23 |
10381 |
◊ |
J |
x,y,z |
1_555 |
64 |
18 |
10235 |
649.5 |
-0.9 |
0.582 |
7 |
4 |
0 |
0.034 |
| Average: |
650.3 |
-0.9 |
0.585 |
7 |
4 |
0 |
0.034 |
| 20 |
38 |
|
H |
63 |
15 |
13118 |
◊ |
G |
x,y,z |
1_555 |
71 |
18 |
12842 |
646.4 |
-0.4 |
0.632 |
10 |
11 |
0 |
0.098 |
39 |
|
V |
62 |
15 |
13115 |
◊ |
U |
x,y,z |
1_555 |
71 |
18 |
12833 |
638.4 |
-0.2 |
0.640 |
11 |
11 |
0 |
0.098 |
| Average: |
642.4 |
-0.3 |
0.636 |
11 |
11 |
0 |
0.098 |
| 21 |
40 |
|
N |
70 |
16 |
9613 |
◊ |
b |
x,y,z |
1_555 |
70 |
16 |
9619 |
638.1 |
-4.5 |
0.321 |
10 |
4 |
0 |
0.035 |
| 22 |
41 |
|
a |
70 |
18 |
12557 |
◊ |
S |
x,y,z |
1_555 |
61 |
14 |
11824 |
622.9 |
-2.6 |
0.474 |
8 |
3 |
0 |
0.021 |
42 |
|
M |
69 |
18 |
12561 |
◊ |
E |
x,y,z |
1_555 |
59 |
14 |
11818 |
615.4 |
-2.6 |
0.472 |
8 |
3 |
0 |
0.021 |
| Average: |
619.1 |
-2.6 |
0.473 |
8 |
3 |
0 |
0.021 |
| 23 |
43 |
|
b |
66 |
20 |
9619 |
◊ |
a |
x,y,z |
1_555 |
67 |
20 |
12557 |
614.7 |
-2.5 |
0.502 |
9 |
2 |
0 |
0.045 |
44 |
|
N |
65 |
20 |
9613 |
◊ |
M |
x,y,z |
1_555 |
66 |
20 |
12561 |
614.7 |
-1.3 |
0.557 |
9 |
2 |
0 |
0.045 |
| Average: |
614.7 |
-1.9 |
0.529 |
9 |
2 |
0 |
0.045 |
| 24 |
45 |
|
J |
64 |
21 |
10235 |
◊ |
I |
x,y,z |
1_555 |
61 |
23 |
10148 |
589.1 |
-4.5 |
0.263 |
9 |
5 |
0 |
0.067 |
46 |
|
X |
63 |
21 |
10239 |
◊ |
W |
x,y,z |
1_555 |
61 |
23 |
10152 |
586.1 |
-4.5 |
0.260 |
9 |
5 |
0 |
0.067 |
| Average: |
587.6 |
-4.5 |
0.262 |
9 |
5 |
0 |
0.067 |
| 25 |
47 |
|
Z |
58 |
16 |
11827 |
◊ |
R |
x,y,z |
1_555 |
58 |
15 |
12372 |
544.2 |
2.0 |
0.775 |
8 |
3 |
0 |
0.007 |
48 |
|
L |
58 |
15 |
11829 |
◊ |
D |
x,y,z |
1_555 |
58 |
15 |
12363 |
538.2 |
1.9 |
0.772 |
9 |
4 |
0 |
0.007 |
| Average: |
541.2 |
1.9 |
0.774 |
9 |
4 |
0 |
0.007 |
| 26 |
49 |
|
I |
58 |
16 |
10148 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
13551 |
535.0 |
-2.3 |
0.513 |
7 |
1 |
0 |
0.039 |
50 |
|
W |
58 |
16 |
10152 |
◊ |
O |
x,y,z |
1_555 |
45 |
13 |
13533 |
527.3 |
-2.3 |
0.504 |
7 |
1 |
0 |
0.039 |
| Average: |
531.1 |
-2.3 |
0.508 |
7 |
1 |
0 |
0.039 |
| 27 |
51 |
|
J |
57 |
15 |
10235 |
◊ |
B |
x,y,z |
1_555 |
55 |
12 |
12939 |
528.5 |
0.5 |
0.652 |
11 |
4 |
0 |
0.012 |
52 |
|
X |
58 |
16 |
10239 |
◊ |
P |
x,y,z |
1_555 |
55 |
12 |
12921 |
527.7 |
0.6 |
0.655 |
11 |
4 |
0 |
0.012 |
| Average: |
528.1 |
0.5 |
0.654 |
11 |
4 |
0 |
0.012 |
| 28 |
53 |
|
W |
49 |
11 |
10152 |
◊ |
P |
x,y,z |
1_555 |
57 |
13 |
12921 |
499.0 |
-1.7 |
0.447 |
3 |
0 |
0 |
0.013 |
54 |
|
I |
49 |
11 |
10148 |
◊ |
B |
x,y,z |
1_555 |
57 |
13 |
12939 |
492.7 |
-1.9 |
0.442 |
4 |
0 |
0 |
0.013 |
| Average: |
495.9 |
-1.8 |
0.445 |
4 |
0 |
0 |
0.013 |
| 29 |
55 |
|
b |
56 |
16 |
9619 |
◊ |
T |
x,y,z |
1_555 |
47 |
11 |
12461 |
481.2 |
-1.5 |
0.521 |
6 |
1 |
0 |
0.015 |
56 |
|
N |
55 |
16 |
9613 |
◊ |
F |
x,y,z |
1_555 |
47 |
11 |
12482 |
475.6 |
-1.4 |
0.520 |
6 |
1 |
0 |
0.015 |
| Average: |
478.4 |
-1.5 |
0.520 |
6 |
1 |
0 |
0.015 |
| 30 |
57 |
|
M |
51 |
12 |
12561 |
◊ |
F |
x,y,z |
1_555 |
57 |
17 |
12482 |
468.6 |
-0.2 |
0.659 |
6 |
6 |
0 |
0.010 |
58 |
|
a |
51 |
12 |
12557 |
◊ |
T |
x,y,z |
1_555 |
57 |
18 |
12461 |
466.0 |
-0.2 |
0.655 |
6 |
6 |
0 |
0.010 |
| Average: |
467.3 |
-0.2 |
0.657 |
6 |
6 |
0 |
0.010 |
| 31 |
59 |
|
N |
49 |
16 |
9613 |
◊ |
H |
x,y,z |
1_555 |
53 |
20 |
13118 |
463.0 |
-1.7 |
0.582 |
9 |
5 |
0 |
0.064 |
60 |
|
b |
50 |
17 |
9619 |
◊ |
V |
x,y,z |
1_555 |
53 |
20 |
13115 |
456.0 |
-1.7 |
0.587 |
9 |
5 |
0 |
0.064 |
| Average: |
459.5 |
-1.7 |
0.584 |
9 |
5 |
0 |
0.064 |
| 32 |
61 |
|
[3BV]N:201 |
38 |
1 |
1012 |
cf |
N |
x,y,z |
1_555 |
59 |
21 |
9613 |
459.6 |
-7.0 |
0.266 |
8 |
0 |
0 |
0.254 |
62 |
|
[3BV]b:201 |
37 |
1 |
1009 |
cf |
b |
x,y,z |
1_555 |
61 |
21 |
9619 |
458.7 |
-7.0 |
0.262 |
8 |
0 |
0 |
0.254 |
| Average: |
459.2 |
-7.0 |
0.264 |
8 |
0 |
0 |
0.254 |
| 33 |
63 |
|
P |
48 |
16 |
12921 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
55 |
14 |
12363 |
451.0 |
-1.7 |
0.533 |
4 |
1 |
0 |
0.000 |
| 34 |
64 |
|
N |
52 |
13 |
9613 |
◊ |
G |
x,y,z |
1_555 |
50 |
13 |
12842 |
433.8 |
-1.9 |
0.489 |
2 |
2 |
0 |
0.011 |
65 |
|
b |
52 |
13 |
9619 |
◊ |
U |
x,y,z |
1_555 |
51 |
13 |
12833 |
430.2 |
-2.0 |
0.476 |
2 |
3 |
0 |
0.011 |
| Average: |
432.0 |
-2.0 |
0.482 |
2 |
3 |
0 |
0.011 |
| 35 |
66 |
|
[3BV]V:301 |
38 |
1 |
1019 |
cf |
V |
x,y,z |
1_555 |
54 |
20 |
13115 |
424.5 |
-6.0 |
0.436 |
9 |
0 |
0 |
0.223 |
67 |
|
[3BV]H:301 |
40 |
1 |
1024 |
cf |
H |
x,y,z |
1_555 |
53 |
20 |
13118 |
424.0 |
-6.1 |
0.438 |
9 |
0 |
0 |
0.223 |
| Average: |
424.3 |
-6.1 |
0.437 |
9 |
0 |
0 |
0.223 |
| 36 |
68 |
|
K |
35 |
9 |
10381 |
◊ |
D |
x,y,z |
1_555 |
44 |
12 |
12363 |
417.6 |
-2.8 |
0.392 |
5 |
7 |
0 |
0.019 |
69 |
|
Y |
34 |
9 |
10400 |
◊ |
R |
x,y,z |
1_555 |
45 |
12 |
12372 |
412.5 |
-2.9 |
0.389 |
5 |
6 |
0 |
0.019 |
| Average: |
415.0 |
-2.9 |
0.391 |
5 |
7 |
0 |
0.019 |
| 37 |
70 |
|
X |
44 |
10 |
10239 |
◊ |
Q |
x,y,z |
1_555 |
46 |
11 |
13125 |
407.2 |
-3.0 |
0.247 |
6 |
4 |
0 |
0.018 |
71 |
|
J |
43 |
10 |
10235 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
13119 |
406.6 |
-3.0 |
0.249 |
6 |
4 |
0 |
0.018 |
| Average: |
406.9 |
-3.0 |
0.248 |
6 |
4 |
0 |
0.018 |
| 38 |
72 |
|
[3BV]K:301 |
32 |
1 |
990 |
cf |
K |
x,y,z |
1_555 |
49 |
22 |
10381 |
386.7 |
-7.5 |
0.269 |
5 |
0 |
0 |
0.314 |
| 39 |
73 |
|
L |
32 |
8 |
11829 |
◊ |
E |
x,y,z |
1_555 |
47 |
13 |
11818 |
352.2 |
-0.1 |
0.546 |
4 |
1 |
0 |
0.006 |
74 |
|
Z |
32 |
8 |
11827 |
◊ |
S |
x,y,z |
1_555 |
47 |
13 |
11824 |
347.2 |
-0.2 |
0.537 |
4 |
1 |
0 |
0.006 |
| Average: |
349.7 |
-0.1 |
0.541 |
4 |
1 |
0 |
0.006 |
| 40 |
75 |
|
K |
34 |
13 |
10381 |
◊ |
C |
x,y,z |
1_555 |
40 |
11 |
13119 |
347.9 |
2.4 |
0.813 |
5 |
8 |
0 |
0.004 |
76 |
|
Y |
35 |
13 |
10400 |
◊ |
Q |
x,y,z |
1_555 |
38 |
11 |
13125 |
342.7 |
2.3 |
0.811 |
6 |
8 |
0 |
0.004 |
| Average: |
345.3 |
2.4 |
0.812 |
6 |
8 |
0 |
0.004 |
| 41 |
77 |
|
U |
40 |
14 |
12833 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
12 |
13551 |
295.1 |
3.1 |
0.881 |
6 |
3 |
0 |
0.000 |
| 42 |
78 |
|
U |
37 |
11 |
12833 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
15 |
12842 |
266.9 |
0.5 |
0.654 |
1 |
0 |
0 |
0.000 |
| 43 |
79 |
|
[3BV]H:301 |
22 |
1 |
1024 |
◊ |
I |
x,y,z |
1_555 |
33 |
12 |
10148 |
247.0 |
-1.5 |
0.420 |
1 |
0 |
0 |
0.041 |
80 |
|
[3BV]V:301 |
22 |
1 |
1019 |
◊ |
W |
x,y,z |
1_555 |
30 |
10 |
10152 |
241.2 |
-1.4 |
0.413 |
1 |
0 |
0 |
0.041 |
| Average: |
244.1 |
-1.4 |
0.416 |
1 |
0 |
0 |
0.041 |
| 44 |
81 |
|
T |
34 |
11 |
12461 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
12 |
12482 |
246.0 |
2.2 |
0.827 |
1 |
0 |
0 |
0.000 |
| 45 |
82 |
|
R |
37 |
13 |
12372 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
19 |
7 |
12939 |
245.3 |
-1.1 |
0.361 |
3 |
2 |
0 |
0.000 |
| 46 |
83 |
|
[3BV]K:301 |
21 |
1 |
990 |
◊ |
L |
x,y,z |
1_555 |
37 |
13 |
11829 |
229.1 |
-0.3 |
0.539 |
1 |
0 |
0 |
0.005 |
| 47 |
84 |
|
[MES]Y:302 |
12 |
1 |
336 |
◊ |
Y |
x,y,z |
1_555 |
29 |
13 |
10400 |
175.6 |
4.3 |
0.193 |
0 |
0 |
0 |
0.000 |
85 |
|
[MES]K:303 |
12 |
1 |
337 |
◊ |
K |
x,y,z |
1_555 |
29 |
13 |
10381 |
172.4 |
4.6 |
0.212 |
0 |
0 |
0 |
0.000 |
| Average: |
174.0 |
4.5 |
0.202 |
0 |
0 |
0 |
0.000 |
| 48 |
86 |
|
F |
14 |
4 |
12482 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13551 |
138.2 |
-2.1 |
0.323 |
1 |
0 |
0 |
0.024 |
87 |
|
T |
14 |
4 |
12461 |
◊ |
O |
x,y,z |
1_555 |
15 |
4 |
13533 |
137.1 |
-2.1 |
0.306 |
1 |
0 |
0 |
0.024 |
| Average: |
137.7 |
-2.1 |
0.314 |
1 |
0 |
0 |
0.024 |
| 49 |
88 |
|
E |
18 |
7 |
11818 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12939 |
137.5 |
1.1 |
0.676 |
4 |
2 |
0 |
0.020 |
89 |
|
S |
18 |
6 |
11824 |
◊ |
P |
x,y,z |
1_555 |
11 |
4 |
12921 |
127.3 |
0.9 |
0.680 |
4 |
2 |
0 |
0.020 |
| Average: |
132.4 |
1.0 |
0.678 |
4 |
2 |
0 |
0.020 |
| 50 |
90 |
|
U |
14 |
3 |
12833 |
◊ |
P |
x,y,z |
1_555 |
13 |
2 |
12921 |
131.5 |
-2.8 |
0.132 |
1 |
0 |
0 |
0.031 |
91 |
|
G |
15 |
3 |
12842 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
12939 |
125.5 |
-2.7 |
0.140 |
0 |
0 |
0 |
0.031 |
| Average: |
128.5 |
-2.7 |
0.136 |
1 |
0 |
0 |
0.031 |
| 51 |
92 |
|
F |
16 |
5 |
12482 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12939 |
129.3 |
-0.3 |
0.590 |
1 |
0 |
0 |
0.009 |
93 |
|
T |
16 |
5 |
12461 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12921 |
128.1 |
-0.2 |
0.597 |
1 |
0 |
0 |
0.009 |
| Average: |
128.7 |
-0.3 |
0.594 |
1 |
0 |
0 |
0.009 |
| 52 |
94 |
|
[3BV]N:201 |
16 |
1 |
1012 |
◊ |
H |
x,y,z |
1_555 |
18 |
5 |
13118 |
122.6 |
-1.7 |
0.520 |
0 |
0 |
0 |
0.016 |
95 |
|
[3BV]b:201 |
15 |
1 |
1009 |
◊ |
V |
x,y,z |
1_555 |
18 |
5 |
13115 |
121.1 |
-1.6 |
0.514 |
0 |
0 |
0 |
0.016 |
| Average: |
121.9 |
-1.6 |
0.517 |
0 |
0 |
0 |
0.016 |
| 53 |
96 |
|
R |
17 |
5 |
12372 |
◊ |
P |
x,y,z |
1_555 |
13 |
3 |
12921 |
122.0 |
0.5 |
0.665 |
1 |
1 |
0 |
0.002 |
97 |
|
D |
16 |
4 |
12363 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
12939 |
118.4 |
0.5 |
0.675 |
1 |
1 |
0 |
0.002 |
| Average: |
120.2 |
0.5 |
0.670 |
1 |
1 |
0 |
0.002 |
| 54 |
98 |
|
T |
13 |
5 |
12461 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
12842 |
115.0 |
-0.4 |
0.538 |
1 |
0 |
0 |
0.000 |
| 55 |
99 |
|
[MES]H:302 |
8 |
1 |
341 |
◊ |
H |
x,y,z |
1_555 |
21 |
8 |
13118 |
114.8 |
1.6 |
0.106 |
0 |
0 |
0 |
0.000 |
| 56 |
100 |
|
[MES]V:303 |
8 |
1 |
339 |
◊ |
V |
x,y,z |
1_555 |
20 |
8 |
13115 |
110.4 |
1.6 |
0.119 |
0 |
0 |
0 |
0.000 |
| 57 |
101 |
|
Q |
15 |
4 |
13125 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13533 |
109.0 |
-0.9 |
0.428 |
2 |
1 |
0 |
0.031 |
102 |
|
C |
15 |
4 |
13119 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13551 |
103.4 |
-0.9 |
0.432 |
1 |
1 |
0 |
0.031 |
| Average: |
106.2 |
-0.9 |
0.430 |
2 |
1 |
0 |
0.031 |
| 58 |
103 |
|
K |
15 |
3 |
10381 |
◊ |
V |
x,y,z |
1_555 |
8 |
2 |
13115 |
105.1 |
-1.9 |
0.263 |
0 |
0 |
0 |
0.013 |
104 |
|
Y |
14 |
3 |
10400 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
13118 |
100.8 |
-1.8 |
0.262 |
0 |
0 |
0 |
0.013 |
| Average: |
103.0 |
-1.9 |
0.262 |
0 |
0 |
0 |
0.013 |
| 59 |
105 |
|
[MES]H:302 |
10 |
1 |
341 |
◊ |
[3BV]H:301 |
x,y,z |
1_555 |
10 |
1 |
1024 |
100.8 |
2.1 |
0.060 |
0 |
0 |
0 |
0.000 |
| 60 |
106 |
|
[MES]V:303 |
11 |
1 |
339 |
◊ |
[3BV]V:301 |
x,y,z |
1_555 |
11 |
1 |
1019 |
98.9 |
2.1 |
0.046 |
0 |
0 |
0 |
0.000 |
| 61 |
107 |
|
M |
8 |
3 |
12561 |
◊ |
U |
x,y,z |
1_555 |
11 |
5 |
12833 |
79.8 |
1.0 |
0.708 |
0 |
0 |
0 |
0.000 |
108 |
|
a |
7 |
3 |
12557 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12842 |
75.3 |
1.1 |
0.717 |
1 |
0 |
0 |
0.000 |
| Average: |
77.5 |
1.0 |
0.712 |
1 |
0 |
0 |
0.000 |
| 62 |
109 |
|
T |
7 |
3 |
12461 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
11818 |
74.5 |
-0.6 |
0.457 |
2 |
0 |
0 |
0.000 |
| 63 |
110 |
|
E |
10 |
3 |
11818 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13551 |
72.7 |
-0.4 |
0.428 |
0 |
0 |
0 |
0.004 |
111 |
|
S |
10 |
3 |
11824 |
◊ |
O |
x,y,z |
1_555 |
6 |
2 |
13533 |
70.9 |
-0.4 |
0.423 |
0 |
0 |
0 |
0.004 |
| Average: |
71.8 |
-0.4 |
0.425 |
0 |
0 |
0 |
0.004 |
| 64 |
112 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
5 |
2 |
12842 |
58.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.145 |
113 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
5 |
2 |
12833 |
57.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.145 |
| Average: |
57.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.145 |
| 65 |
114 |
|
[MES]K:303 |
6 |
1 |
337 |
◊ |
[3BV]K:301 |
x,y,z |
1_555 |
8 |
1 |
990 |
54.7 |
0.7 |
0.048 |
0 |
0 |
0 |
0.000 |
| 66 |
115 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
14 |
8 |
10148 |
54.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.247 |
| 67 |
116 |
|
[CL]b:202 |
1 |
1 |
125 |
f |
b |
x,y,z |
1_555 |
9 |
7 |
9619 |
54.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.179 |
117 |
|
[CL]N:203 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
8 |
6 |
9613 |
54.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.179 |
| Average: |
54.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.179 |
| 68 |
118 |
|
U |
5 |
2 |
12833 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12482 |
52.3 |
0.2 |
0.642 |
0 |
0 |
0 |
0.000 |
| 69 |
119 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
6 |
12842 |
51.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.163 |
| 70 |
120 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
8 |
6 |
11827 |
50.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.118 |
| 71 |
121 |
|
[MG]N:202 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9613 |
48.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.142 |
| 72 |
122 |
|
[MG]Y:301 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
6 |
6 |
10400 |
41.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.210 |
123 |
|
[MG]K:302 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
7 |
6 |
10381 |
41.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.210 |
| Average: |
41.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.210 |
| 73 |
124 |
|
[MG]V:302 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
9 |
6 |
13115 |
40.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.139 |
| 74 |
125 |
|
R |
5 |
1 |
12372 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13533 |
38.1 |
0.9 |
0.805 |
1 |
0 |
0 |
0.000 |
126 |
|
D |
4 |
1 |
12363 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13551 |
34.7 |
0.9 |
0.824 |
1 |
0 |
0 |
0.000 |
| Average: |
36.4 |
0.9 |
0.815 |
1 |
0 |
0 |
0.000 |
| 75 |
127 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13118 |
34.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.053 |
128 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13115 |
34.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
34.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.053 |
| 76 |
129 |
|
[MES]V:303 |
3 |
1 |
339 |
f |
L |
x,y,z |
1_555 |
4 |
1 |
11829 |
33.6 |
1.2 |
0.388 |
0 |
0 |
0 |
0.000 |
| 77 |
130 |
|
[MES]H:302 |
3 |
1 |
341 |
f |
Z |
x,y,z |
1_555 |
4 |
1 |
11827 |
33.6 |
1.2 |
0.352 |
0 |
0 |
0 |
0.000 |
| 78 |
131 |
|
[MG]V:302 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
11829 |
31.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| 79 |
132 |
|
[MG]K:302 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
10152 |
28.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.098 |
133 |
|
[MG]Y:301 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
10148 |
27.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
28.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.098 |
| 80 |
134 |
|
[3BV]N:201 |
2 |
1 |
1012 |
f |
[CL]N:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.060 |
135 |
|
[3BV]b:201 |
2 |
1 |
1009 |
f |
[CL]b:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
23.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.060 |
| 81 |
136 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12557 |
22.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.051 |
| 82 |
137 |
|
[CL]b:202 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
3 |
13115 |
18.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
138 |
|
[CL]N:203 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
3 |
13118 |
18.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
18.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| 83 |
139 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
10400 |
17.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.055 |
| 84 |
140 |
|
[CL]N:203 |
1 |
1 |
125 |
◊ |
a |
x,y,z |
1_555 |
3 |
1 |
12557 |
15.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.041 |
141 |
|
[CL]b:202 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
12561 |
15.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
15.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| 85 |
142 |
|
V |
2 |
1 |
13115 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
12921 |
13.1 |
-0.2 |
0.446 |
0 |
0 |
0 |
0.000 |
143 |
|
H |
2 |
1 |
13118 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12939 |
10.9 |
-0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
| Average: |
12.0 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.001 |
| 86 |
144 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
13118 |
12.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| 87 |
145 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
4 |
2 |
13533 |
10.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
146 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13551 |
8.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
9.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 88 |
147 |
|
[3BV]V:301 |
2 |
1 |
1019 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11829 |
8.1 |
-0.2 |
0.499 |
0 |
0 |
0 |
0.003 |
148 |
|
[3BV]H:301 |
2 |
1 |
1024 |
◊ |
Z |
x,y,z |
1_555 |
2 |
1 |
11827 |
7.5 |
-0.2 |
0.498 |
0 |
0 |
0 |
0.003 |
| Average: |
7.8 |
-0.2 |
0.499 |
0 |
0 |
0 |
0.003 |
| 89 |
149 |
|
[MES]K:303 |
2 |
1 |
337 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
10235 |
3.8 |
0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
150 |
|
[MES]Y:302 |
1 |
1 |
336 |
f |
X |
x,y,z |
1_555 |
1 |
1 |
10239 |
1.8 |
0.0 |
0.278 |
0 |
0 |
0 |
0.000 |
| Average: |
2.8 |
0.0 |
0.211 |
0 |
0 |
0 |
0.000 |
|