| ## |
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 |
173 |
51 |
10088 |
◊ |
H |
x,y,z |
1_555 |
162 |
43 |
13098 |
1591.9 |
-13.7 |
0.276 |
29 |
15 |
0 |
0.710 |
2 |
|
W |
171 |
49 |
10085 |
◊ |
V |
x,y,z |
1_555 |
158 |
42 |
13091 |
1584.1 |
-13.5 |
0.271 |
27 |
15 |
0 |
0.710 |
| Average: |
1588.0 |
-13.6 |
0.274 |
28 |
15 |
0 |
0.710 |
| 2 |
3 |
|
C |
151 |
35 |
13065 |
◊ |
B |
x,y,z |
1_555 |
177 |
42 |
12885 |
1536.3 |
-11.2 |
0.217 |
21 |
3 |
0 |
0.512 |
4 |
|
Q |
149 |
32 |
13062 |
◊ |
P |
x,y,z |
1_555 |
175 |
42 |
12868 |
1501.1 |
-11.2 |
0.214 |
20 |
3 |
0 |
0.512 |
| Average: |
1518.7 |
-11.2 |
0.215 |
21 |
3 |
0 |
0.512 |
| 3 |
5 |
|
G |
140 |
33 |
12775 |
◊ |
F |
x,y,z |
1_555 |
155 |
39 |
12437 |
1391.8 |
-13.7 |
0.149 |
16 |
3 |
0 |
0.746 |
6 |
|
U |
141 |
32 |
12781 |
◊ |
T |
x,y,z |
1_555 |
157 |
39 |
12415 |
1391.0 |
-13.9 |
0.146 |
16 |
4 |
0 |
0.746 |
| Average: |
1391.4 |
-13.8 |
0.147 |
16 |
4 |
0 |
0.746 |
| 4 |
7 |
|
L |
150 |
38 |
11809 |
◊ |
V |
x,y,z |
1_555 |
132 |
35 |
13091 |
1391.2 |
-6.2 |
0.483 |
18 |
4 |
0 |
0.357 |
8 |
|
Z |
148 |
39 |
11813 |
◊ |
H |
x,y,z |
1_555 |
130 |
35 |
13098 |
1376.1 |
-6.2 |
0.489 |
18 |
4 |
0 |
0.357 |
| Average: |
1383.7 |
-6.2 |
0.486 |
18 |
4 |
0 |
0.357 |
| 5 |
9 |
|
U |
152 |
39 |
12781 |
◊ |
O |
x,y,z |
1_555 |
138 |
37 |
13481 |
1388.3 |
-16.4 |
0.109 |
18 |
1 |
0 |
0.418 |
10 |
|
G |
153 |
40 |
12775 |
◊ |
A |
x,y,z |
1_555 |
141 |
38 |
13482 |
1385.5 |
-16.4 |
0.112 |
17 |
1 |
0 |
0.418 |
| Average: |
1386.9 |
-16.4 |
0.111 |
18 |
1 |
0 |
0.418 |
| 6 |
11 |
|
T |
144 |
34 |
12415 |
◊ |
S |
x,y,z |
1_555 |
144 |
39 |
11757 |
1349.6 |
-12.3 |
0.164 |
17 |
4 |
0 |
1.000 |
12 |
|
F |
145 |
34 |
12437 |
◊ |
E |
x,y,z |
1_555 |
145 |
39 |
11759 |
1346.8 |
-12.2 |
0.166 |
17 |
4 |
0 |
1.000 |
| Average: |
1348.2 |
-12.2 |
0.165 |
17 |
4 |
0 |
1.000 |
| 7 |
13 |
|
P |
148 |
38 |
12868 |
◊ |
O |
x,y,z |
1_555 |
159 |
42 |
13481 |
1347.9 |
-16.0 |
0.130 |
16 |
1 |
0 |
0.509 |
14 |
|
B |
144 |
38 |
12885 |
◊ |
A |
x,y,z |
1_555 |
154 |
39 |
13482 |
1341.5 |
-16.0 |
0.122 |
14 |
1 |
0 |
0.509 |
| Average: |
1344.7 |
-16.0 |
0.126 |
15 |
1 |
0 |
0.509 |
| 8 |
15 |
|
b |
146 |
40 |
9577 |
◊ |
M |
x,y,z |
1_555 |
138 |
30 |
12511 |
1335.0 |
-8.4 |
0.370 |
23 |
3 |
0 |
0.476 |
16 |
|
N |
147 |
40 |
9574 |
◊ |
a |
x,y,z |
1_555 |
139 |
30 |
12517 |
1326.2 |
-8.3 |
0.374 |
24 |
3 |
0 |
0.476 |
| Average: |
1330.6 |
-8.4 |
0.372 |
24 |
3 |
0 |
0.476 |
| 9 |
17 |
|
D |
132 |
34 |
12305 |
◊ |
C |
x,y,z |
1_555 |
143 |
38 |
13065 |
1292.0 |
-12.1 |
0.137 |
17 |
2 |
0 |
0.557 |
18 |
|
R |
132 |
34 |
12301 |
◊ |
Q |
x,y,z |
1_555 |
141 |
38 |
13062 |
1288.2 |
-12.0 |
0.137 |
17 |
2 |
0 |
0.557 |
| Average: |
1290.1 |
-12.0 |
0.137 |
17 |
2 |
0 |
0.557 |
| 10 |
19 |
|
S |
111 |
30 |
11757 |
◊ |
R |
x,y,z |
1_555 |
112 |
31 |
12301 |
1039.9 |
-10.8 |
0.135 |
10 |
4 |
0 |
1.000 |
20 |
|
E |
108 |
30 |
11759 |
◊ |
D |
x,y,z |
1_555 |
113 |
32 |
12305 |
1019.6 |
-10.7 |
0.134 |
12 |
4 |
0 |
1.000 |
| Average: |
1029.8 |
-10.7 |
0.135 |
11 |
4 |
0 |
1.000 |
| 11 |
21 |
|
K |
108 |
28 |
10382 |
◊ |
W |
x,y,z |
1_555 |
106 |
25 |
10085 |
979.7 |
-4.6 |
0.477 |
20 |
4 |
0 |
0.505 |
22 |
|
Y |
107 |
28 |
10375 |
◊ |
I |
x,y,z |
1_555 |
104 |
25 |
10088 |
977.4 |
-4.7 |
0.465 |
20 |
4 |
0 |
0.505 |
| Average: |
978.5 |
-4.7 |
0.471 |
20 |
4 |
0 |
0.505 |
| 12 |
23 |
|
a |
97 |
28 |
12517 |
◊ |
Z |
x,y,z |
1_555 |
99 |
29 |
11813 |
955.5 |
0.4 |
0.688 |
15 |
9 |
0 |
0.184 |
24 |
|
M |
98 |
29 |
12511 |
◊ |
L |
x,y,z |
1_555 |
94 |
29 |
11809 |
951.8 |
0.4 |
0.685 |
15 |
9 |
0 |
0.184 |
| Average: |
953.6 |
0.4 |
0.687 |
15 |
9 |
0 |
0.184 |
| 13 |
25 |
|
M |
87 |
22 |
12511 |
◊ |
V |
x,y,z |
1_555 |
94 |
26 |
13091 |
880.8 |
-11.6 |
0.141 |
4 |
1 |
0 |
0.326 |
26 |
|
a |
84 |
22 |
12517 |
◊ |
H |
x,y,z |
1_555 |
90 |
26 |
13098 |
877.6 |
-11.6 |
0.126 |
4 |
1 |
0 |
0.326 |
| Average: |
879.2 |
-11.6 |
0.134 |
4 |
1 |
0 |
0.326 |
| 14 |
27 |
|
Y |
94 |
23 |
10375 |
◊ |
J |
x,y,z |
1_555 |
85 |
19 |
10148 |
764.3 |
-2.7 |
0.464 |
7 |
10 |
0 |
0.167 |
28 |
|
K |
92 |
23 |
10382 |
◊ |
X |
x,y,z |
1_555 |
86 |
19 |
10322 |
764.1 |
-2.6 |
0.459 |
8 |
10 |
0 |
0.167 |
| Average: |
764.2 |
-2.6 |
0.461 |
8 |
10 |
0 |
0.167 |
| 15 |
29 |
|
L |
89 |
23 |
11809 |
◊ |
W |
x,y,z |
1_555 |
87 |
20 |
10085 |
706.8 |
-2.7 |
0.472 |
7 |
6 |
0 |
0.119 |
30 |
|
Z |
87 |
23 |
11813 |
◊ |
I |
x,y,z |
1_555 |
89 |
20 |
10088 |
704.7 |
-2.7 |
0.473 |
7 |
6 |
0 |
0.119 |
| Average: |
705.7 |
-2.7 |
0.473 |
7 |
6 |
0 |
0.119 |
| 16 |
31 |
|
X |
77 |
19 |
10322 |
◊ |
J |
x,y,z |
1_555 |
79 |
19 |
10148 |
704.8 |
-2.4 |
0.409 |
14 |
0 |
0 |
0.079 |
| 17 |
32 |
|
Z |
72 |
23 |
11813 |
◊ |
Y |
x,y,z |
1_555 |
74 |
23 |
10375 |
676.4 |
-2.8 |
0.356 |
13 |
5 |
0 |
0.123 |
33 |
|
L |
73 |
23 |
11809 |
◊ |
K |
x,y,z |
1_555 |
74 |
23 |
10382 |
674.2 |
-2.8 |
0.358 |
13 |
5 |
0 |
0.123 |
| Average: |
675.3 |
-2.8 |
0.357 |
13 |
5 |
0 |
0.123 |
| 18 |
34 |
|
V |
59 |
17 |
13091 |
◊ |
O |
x,y,z |
1_555 |
76 |
21 |
13481 |
669.0 |
-4.7 |
0.453 |
12 |
4 |
0 |
0.070 |
35 |
|
H |
59 |
17 |
13098 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
13482 |
660.0 |
-4.4 |
0.457 |
12 |
4 |
0 |
0.070 |
| Average: |
664.5 |
-4.6 |
0.455 |
12 |
4 |
0 |
0.070 |
| 19 |
36 |
|
Y |
77 |
24 |
10375 |
◊ |
X |
x,y,z |
1_555 |
61 |
18 |
10322 |
653.3 |
-0.9 |
0.579 |
8 |
7 |
0 |
0.097 |
37 |
|
K |
73 |
23 |
10382 |
◊ |
J |
x,y,z |
1_555 |
63 |
18 |
10148 |
622.3 |
-1.9 |
0.511 |
6 |
3 |
0 |
0.097 |
| Average: |
637.8 |
-1.4 |
0.545 |
7 |
5 |
0 |
0.097 |
| 20 |
38 |
|
H |
63 |
15 |
13098 |
◊ |
G |
x,y,z |
1_555 |
71 |
18 |
12775 |
650.2 |
-0.4 |
0.628 |
10 |
13 |
0 |
0.044 |
39 |
|
V |
63 |
15 |
13091 |
◊ |
U |
x,y,z |
1_555 |
70 |
18 |
12781 |
640.6 |
-0.4 |
0.632 |
10 |
11 |
0 |
0.044 |
| Average: |
645.4 |
-0.4 |
0.630 |
10 |
12 |
0 |
0.044 |
| 21 |
40 |
|
N |
71 |
16 |
9574 |
◊ |
b |
x,y,z |
1_555 |
71 |
16 |
9577 |
633.1 |
-4.3 |
0.343 |
10 |
4 |
0 |
0.031 |
| 22 |
41 |
|
b |
63 |
19 |
9577 |
◊ |
a |
x,y,z |
1_555 |
66 |
20 |
12517 |
616.8 |
-1.9 |
0.524 |
7 |
3 |
0 |
0.037 |
42 |
|
N |
62 |
19 |
9574 |
◊ |
M |
x,y,z |
1_555 |
65 |
21 |
12511 |
616.5 |
-2.0 |
0.521 |
7 |
3 |
0 |
0.037 |
| Average: |
616.7 |
-1.9 |
0.523 |
7 |
3 |
0 |
0.037 |
| 23 |
43 |
|
M |
67 |
18 |
12511 |
◊ |
E |
x,y,z |
1_555 |
60 |
14 |
11759 |
604.2 |
-2.4 |
0.489 |
8 |
3 |
0 |
0.026 |
44 |
|
a |
69 |
18 |
12517 |
◊ |
S |
x,y,z |
1_555 |
60 |
14 |
11757 |
603.2 |
-2.5 |
0.486 |
7 |
3 |
0 |
0.026 |
| Average: |
603.7 |
-2.4 |
0.488 |
8 |
3 |
0 |
0.026 |
| 24 |
45 |
|
J |
66 |
23 |
10148 |
◊ |
I |
x,y,z |
1_555 |
63 |
25 |
10088 |
598.0 |
-4.8 |
0.250 |
10 |
4 |
0 |
0.217 |
46 |
|
X |
65 |
23 |
10322 |
◊ |
W |
x,y,z |
1_555 |
65 |
25 |
10085 |
593.5 |
-4.7 |
0.257 |
10 |
5 |
0 |
0.217 |
| Average: |
595.7 |
-4.8 |
0.254 |
10 |
5 |
0 |
0.217 |
| 25 |
47 |
|
Z |
58 |
16 |
11813 |
◊ |
R |
x,y,z |
1_555 |
58 |
15 |
12301 |
536.9 |
2.0 |
0.781 |
7 |
4 |
0 |
0.008 |
48 |
|
L |
55 |
15 |
11809 |
◊ |
D |
x,y,z |
1_555 |
55 |
13 |
12305 |
529.9 |
1.9 |
0.776 |
8 |
4 |
0 |
0.008 |
| Average: |
533.4 |
2.0 |
0.779 |
8 |
4 |
0 |
0.008 |
| 26 |
49 |
|
J |
57 |
15 |
10148 |
◊ |
B |
x,y,z |
1_555 |
54 |
12 |
12885 |
528.9 |
0.6 |
0.659 |
12 |
5 |
0 |
0.019 |
50 |
|
X |
58 |
16 |
10322 |
◊ |
P |
x,y,z |
1_555 |
56 |
12 |
12868 |
527.2 |
0.6 |
0.651 |
12 |
5 |
0 |
0.019 |
| Average: |
528.1 |
0.6 |
0.655 |
12 |
5 |
0 |
0.019 |
| 27 |
51 |
|
I |
59 |
16 |
10088 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
13482 |
528.5 |
-2.1 |
0.535 |
7 |
1 |
0 |
0.023 |
52 |
|
W |
59 |
16 |
10085 |
◊ |
O |
x,y,z |
1_555 |
45 |
13 |
13481 |
520.2 |
-2.1 |
0.532 |
7 |
1 |
0 |
0.023 |
| Average: |
524.3 |
-2.1 |
0.534 |
7 |
1 |
0 |
0.023 |
| 28 |
53 |
|
W |
48 |
11 |
10085 |
◊ |
P |
x,y,z |
1_555 |
58 |
13 |
12868 |
487.7 |
-1.8 |
0.436 |
4 |
0 |
0 |
0.013 |
54 |
|
I |
47 |
11 |
10088 |
◊ |
B |
x,y,z |
1_555 |
55 |
13 |
12885 |
484.0 |
-1.9 |
0.433 |
3 |
0 |
0 |
0.013 |
| Average: |
485.8 |
-1.8 |
0.435 |
4 |
0 |
0 |
0.013 |
| 29 |
55 |
|
a |
52 |
12 |
12517 |
◊ |
T |
x,y,z |
1_555 |
58 |
17 |
12415 |
480.5 |
-0.3 |
0.656 |
6 |
6 |
0 |
0.012 |
56 |
|
M |
52 |
12 |
12511 |
◊ |
F |
x,y,z |
1_555 |
58 |
17 |
12437 |
476.8 |
-0.2 |
0.661 |
6 |
6 |
0 |
0.012 |
| Average: |
478.6 |
-0.3 |
0.659 |
6 |
6 |
0 |
0.012 |
| 30 |
57 |
|
N |
56 |
16 |
9574 |
◊ |
F |
x,y,z |
1_555 |
47 |
11 |
12437 |
474.2 |
-1.8 |
0.491 |
5 |
1 |
0 |
0.015 |
58 |
|
b |
56 |
16 |
9577 |
◊ |
T |
x,y,z |
1_555 |
47 |
11 |
12415 |
471.8 |
-1.8 |
0.501 |
5 |
1 |
0 |
0.015 |
| Average: |
473.0 |
-1.8 |
0.496 |
5 |
1 |
0 |
0.015 |
| 31 |
59 |
|
N |
47 |
16 |
9574 |
◊ |
H |
x,y,z |
1_555 |
55 |
20 |
13098 |
464.3 |
-1.8 |
0.585 |
9 |
5 |
0 |
0.071 |
60 |
|
b |
47 |
17 |
9577 |
◊ |
V |
x,y,z |
1_555 |
54 |
20 |
13091 |
462.0 |
-1.8 |
0.584 |
9 |
5 |
0 |
0.071 |
| Average: |
463.2 |
-1.8 |
0.585 |
9 |
5 |
0 |
0.071 |
| 32 |
61 |
|
[3BV]N:201 |
38 |
1 |
1002 |
cf |
N |
x,y,z |
1_555 |
59 |
21 |
9574 |
452.2 |
-7.1 |
0.264 |
6 |
0 |
0 |
0.243 |
62 |
|
[3BV]b:201 |
35 |
1 |
1000 |
cf |
b |
x,y,z |
1_555 |
60 |
21 |
9577 |
451.8 |
-7.1 |
0.250 |
6 |
0 |
0 |
0.243 |
| Average: |
452.0 |
-7.1 |
0.257 |
6 |
0 |
0 |
0.243 |
| 33 |
63 |
|
P |
44 |
16 |
12868 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
53 |
13 |
12305 |
432.1 |
-1.5 |
0.534 |
5 |
1 |
0 |
0.000 |
| 34 |
64 |
|
K |
36 |
10 |
10382 |
◊ |
D |
x,y,z |
1_555 |
51 |
14 |
12305 |
431.4 |
-3.5 |
0.345 |
4 |
7 |
0 |
0.027 |
65 |
|
Y |
32 |
9 |
10375 |
◊ |
R |
x,y,z |
1_555 |
50 |
14 |
12301 |
427.6 |
-3.6 |
0.319 |
4 |
7 |
0 |
0.027 |
| Average: |
429.5 |
-3.6 |
0.332 |
4 |
7 |
0 |
0.027 |
| 35 |
66 |
|
N |
51 |
13 |
9574 |
◊ |
G |
x,y,z |
1_555 |
50 |
13 |
12775 |
430.7 |
-1.9 |
0.486 |
2 |
2 |
0 |
0.021 |
67 |
|
b |
51 |
13 |
9577 |
◊ |
U |
x,y,z |
1_555 |
50 |
13 |
12781 |
426.9 |
-2.1 |
0.471 |
2 |
2 |
0 |
0.021 |
| Average: |
428.8 |
-2.0 |
0.479 |
2 |
2 |
0 |
0.021 |
| 36 |
68 |
|
[3BV]K:301 |
32 |
1 |
988 |
cf |
K |
x,y,z |
1_555 |
56 |
24 |
10382 |
415.3 |
-7.4 |
0.273 |
6 |
0 |
0 |
0.357 |
69 |
|
[3BV]Y:301 |
31 |
1 |
992 |
cf |
Y |
x,y,z |
1_555 |
56 |
24 |
10375 |
414.4 |
-7.3 |
0.273 |
6 |
0 |
0 |
0.357 |
| Average: |
414.8 |
-7.3 |
0.273 |
6 |
0 |
0 |
0.357 |
| 37 |
70 |
|
[3BV]H:301 |
34 |
1 |
1008 |
cf |
H |
x,y,z |
1_555 |
53 |
21 |
13098 |
414.9 |
-6.1 |
0.425 |
8 |
0 |
0 |
0.247 |
71 |
|
[3BV]V:301 |
34 |
1 |
1000 |
cf |
V |
x,y,z |
1_555 |
53 |
22 |
13091 |
413.5 |
-6.2 |
0.412 |
8 |
0 |
0 |
0.247 |
| Average: |
414.2 |
-6.2 |
0.419 |
8 |
0 |
0 |
0.247 |
| 38 |
72 |
|
J |
42 |
10 |
10148 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
13065 |
402.9 |
-2.9 |
0.242 |
5 |
4 |
0 |
0.025 |
73 |
|
X |
41 |
10 |
10322 |
◊ |
Q |
x,y,z |
1_555 |
47 |
11 |
13062 |
402.5 |
-3.1 |
0.233 |
5 |
4 |
0 |
0.025 |
| Average: |
402.7 |
-3.0 |
0.237 |
5 |
4 |
0 |
0.025 |
| 39 |
74 |
|
Z |
33 |
8 |
11813 |
◊ |
S |
x,y,z |
1_555 |
46 |
13 |
11757 |
365.2 |
-0.2 |
0.550 |
3 |
2 |
0 |
0.008 |
75 |
|
L |
33 |
8 |
11809 |
◊ |
E |
x,y,z |
1_555 |
48 |
13 |
11759 |
362.8 |
-0.2 |
0.546 |
3 |
2 |
0 |
0.008 |
| Average: |
364.0 |
-0.2 |
0.548 |
3 |
2 |
0 |
0.008 |
| 40 |
76 |
|
K |
33 |
13 |
10382 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
13065 |
335.0 |
2.6 |
0.825 |
6 |
9 |
0 |
0.007 |
77 |
|
Y |
34 |
13 |
10375 |
◊ |
Q |
x,y,z |
1_555 |
39 |
11 |
13062 |
330.6 |
2.6 |
0.822 |
7 |
8 |
0 |
0.007 |
| Average: |
332.8 |
2.6 |
0.824 |
7 |
9 |
0 |
0.007 |
| 41 |
78 |
|
U |
38 |
14 |
12781 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
12 |
13482 |
280.9 |
3.1 |
0.882 |
6 |
3 |
0 |
0.000 |
| 42 |
79 |
|
T |
36 |
12 |
12415 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
14 |
12437 |
274.0 |
2.6 |
0.850 |
2 |
1 |
0 |
0.000 |
| 43 |
80 |
|
U |
37 |
11 |
12781 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
15 |
12775 |
266.6 |
0.5 |
0.656 |
1 |
0 |
0 |
0.000 |
| 44 |
81 |
|
[3BV]H:301 |
22 |
1 |
1008 |
◊ |
I |
x,y,z |
1_555 |
34 |
13 |
10088 |
251.1 |
-1.7 |
0.425 |
1 |
0 |
0 |
0.053 |
82 |
|
[3BV]V:301 |
22 |
1 |
1000 |
◊ |
W |
x,y,z |
1_555 |
33 |
13 |
10085 |
246.4 |
-1.6 |
0.425 |
1 |
0 |
0 |
0.053 |
| Average: |
248.8 |
-1.7 |
0.425 |
1 |
0 |
0 |
0.053 |
| 45 |
83 |
|
R |
36 |
12 |
12301 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
16 |
6 |
12885 |
227.0 |
-1.0 |
0.358 |
4 |
2 |
0 |
0.000 |
| 46 |
84 |
|
[3BV]Y:301 |
23 |
1 |
992 |
◊ |
Z |
x,y,z |
1_555 |
22 |
9 |
11813 |
210.1 |
-1.5 |
0.472 |
2 |
0 |
0 |
0.032 |
85 |
|
[3BV]K:301 |
23 |
1 |
988 |
◊ |
L |
x,y,z |
1_555 |
23 |
9 |
11809 |
208.6 |
-1.6 |
0.477 |
2 |
0 |
0 |
0.032 |
| Average: |
209.4 |
-1.5 |
0.474 |
2 |
0 |
0 |
0.032 |
| 47 |
86 |
|
[MES]K:303 |
12 |
1 |
338 |
f |
K |
x,y,z |
1_555 |
31 |
14 |
10382 |
183.2 |
5.0 |
0.221 |
0 |
0 |
0 |
0.000 |
87 |
|
[MES]Y:303 |
12 |
1 |
337 |
f |
Y |
x,y,z |
1_555 |
30 |
14 |
10375 |
178.8 |
4.9 |
0.250 |
0 |
0 |
0 |
0.000 |
| Average: |
181.0 |
4.9 |
0.235 |
0 |
0 |
0 |
0.000 |
| 48 |
88 |
|
T |
14 |
4 |
12415 |
◊ |
O |
x,y,z |
1_555 |
15 |
4 |
13481 |
136.8 |
-2.1 |
0.317 |
1 |
0 |
0 |
0.030 |
89 |
|
F |
14 |
4 |
12437 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
13482 |
135.9 |
-2.0 |
0.325 |
1 |
0 |
0 |
0.030 |
| Average: |
136.3 |
-2.0 |
0.321 |
1 |
0 |
0 |
0.030 |
| 49 |
90 |
|
E |
19 |
7 |
11759 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12885 |
133.2 |
1.0 |
0.664 |
3 |
2 |
0 |
0.015 |
91 |
|
S |
17 |
6 |
11757 |
◊ |
P |
x,y,z |
1_555 |
11 |
4 |
12868 |
127.3 |
0.9 |
0.668 |
4 |
2 |
0 |
0.015 |
| Average: |
130.3 |
0.9 |
0.666 |
4 |
2 |
0 |
0.015 |
| 50 |
92 |
|
F |
16 |
5 |
12437 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12885 |
131.5 |
-0.2 |
0.599 |
1 |
0 |
0 |
0.009 |
93 |
|
T |
17 |
5 |
12415 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12868 |
129.7 |
-0.2 |
0.602 |
1 |
0 |
0 |
0.009 |
| Average: |
130.6 |
-0.2 |
0.600 |
1 |
0 |
0 |
0.009 |
| 51 |
94 |
|
U |
15 |
3 |
12781 |
◊ |
P |
x,y,z |
1_555 |
13 |
2 |
12868 |
130.7 |
-2.8 |
0.137 |
0 |
0 |
0 |
0.047 |
95 |
|
G |
16 |
3 |
12775 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12885 |
125.8 |
-2.7 |
0.152 |
0 |
0 |
0 |
0.047 |
| Average: |
128.2 |
-2.7 |
0.145 |
0 |
0 |
0 |
0.047 |
| 52 |
96 |
|
[3BV]N:201 |
15 |
1 |
1002 |
◊ |
H |
x,y,z |
1_555 |
19 |
5 |
13098 |
122.5 |
-1.6 |
0.518 |
0 |
0 |
0 |
0.017 |
97 |
|
[3BV]b:201 |
15 |
1 |
1000 |
◊ |
V |
x,y,z |
1_555 |
18 |
5 |
13091 |
120.4 |
-1.5 |
0.526 |
0 |
0 |
0 |
0.017 |
| Average: |
121.5 |
-1.6 |
0.522 |
0 |
0 |
0 |
0.017 |
| 53 |
98 |
|
R |
16 |
4 |
12301 |
◊ |
P |
x,y,z |
1_555 |
12 |
3 |
12868 |
120.6 |
0.4 |
0.658 |
1 |
1 |
0 |
0.005 |
99 |
|
D |
15 |
4 |
12305 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
12885 |
115.6 |
0.5 |
0.670 |
1 |
1 |
0 |
0.005 |
| Average: |
118.1 |
0.5 |
0.664 |
1 |
1 |
0 |
0.005 |
| 54 |
100 |
|
T |
14 |
5 |
12415 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
12775 |
114.9 |
-0.6 |
0.524 |
1 |
0 |
0 |
0.000 |
| 55 |
101 |
|
[MES]H:302 |
8 |
1 |
340 |
◊ |
H |
x,y,z |
1_555 |
21 |
8 |
13098 |
114.5 |
1.7 |
0.108 |
0 |
0 |
0 |
0.000 |
| 56 |
102 |
|
[MES]V:302 |
8 |
1 |
342 |
◊ |
V |
x,y,z |
1_555 |
21 |
8 |
13091 |
113.9 |
1.7 |
0.106 |
0 |
0 |
0 |
0.000 |
| 57 |
103 |
|
Q |
15 |
4 |
13062 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13481 |
108.8 |
-0.9 |
0.430 |
2 |
1 |
0 |
0.043 |
104 |
|
C |
16 |
4 |
13065 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13482 |
105.0 |
-0.9 |
0.436 |
1 |
1 |
0 |
0.043 |
| Average: |
106.9 |
-0.9 |
0.433 |
2 |
1 |
0 |
0.043 |
| 58 |
105 |
|
[MES]H:302 |
10 |
1 |
340 |
◊ |
[3BV]H:301 |
x,y,z |
1_555 |
12 |
1 |
1008 |
99.2 |
1.8 |
0.067 |
0 |
0 |
0 |
0.000 |
| 59 |
106 |
|
[MES]V:302 |
11 |
1 |
342 |
◊ |
[3BV]V:301 |
x,y,z |
1_555 |
11 |
1 |
1000 |
98.4 |
1.8 |
0.036 |
0 |
0 |
0 |
0.000 |
| 60 |
107 |
|
K |
13 |
3 |
10382 |
◊ |
V |
x,y,z |
1_555 |
8 |
2 |
13091 |
97.8 |
-1.7 |
0.272 |
0 |
0 |
0 |
0.017 |
108 |
|
Y |
13 |
3 |
10375 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
13098 |
97.6 |
-1.7 |
0.273 |
0 |
0 |
0 |
0.017 |
| Average: |
97.7 |
-1.7 |
0.273 |
0 |
0 |
0 |
0.017 |
| 61 |
109 |
|
T |
7 |
3 |
12415 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
11759 |
74.9 |
-0.6 |
0.451 |
2 |
0 |
0 |
0.000 |
| 62 |
110 |
|
E |
10 |
3 |
11759 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13482 |
66.4 |
-0.3 |
0.441 |
0 |
0 |
0 |
0.003 |
111 |
|
S |
10 |
3 |
11757 |
◊ |
O |
x,y,z |
1_555 |
6 |
2 |
13481 |
65.0 |
-0.4 |
0.438 |
0 |
0 |
0 |
0.003 |
| Average: |
65.7 |
-0.4 |
0.440 |
0 |
0 |
0 |
0.003 |
| 63 |
112 |
|
a |
8 |
3 |
12517 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
12775 |
65.7 |
0.8 |
0.635 |
1 |
0 |
0 |
0.000 |
113 |
|
M |
8 |
3 |
12511 |
◊ |
U |
x,y,z |
1_555 |
7 |
4 |
12781 |
64.3 |
0.6 |
0.615 |
1 |
0 |
0 |
0.000 |
| Average: |
65.0 |
0.7 |
0.625 |
1 |
0 |
0 |
0.000 |
| 64 |
114 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
5 |
2 |
12775 |
58.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.254 |
115 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
6 |
2 |
12781 |
57.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.254 |
| Average: |
58.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.254 |
| 65 |
116 |
|
[MES]Y:303 |
5 |
1 |
337 |
f |
[3BV]Y:301 |
x,y,z |
1_555 |
8 |
1 |
992 |
54.5 |
0.8 |
0.087 |
0 |
0 |
0 |
0.000 |
117 |
|
[MES]K:303 |
5 |
1 |
338 |
f |
[3BV]K:301 |
x,y,z |
1_555 |
7 |
1 |
988 |
52.6 |
0.7 |
0.063 |
0 |
0 |
0 |
0.000 |
| Average: |
53.5 |
0.7 |
0.075 |
0 |
0 |
0 |
0.000 |
| 66 |
118 |
|
[CL]N:203 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
8 |
6 |
9574 |
53.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.178 |
119 |
|
[CL]b:202 |
1 |
1 |
125 |
f |
b |
x,y,z |
1_555 |
8 |
6 |
9577 |
51.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.178 |
| Average: |
52.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.178 |
| 67 |
120 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
6 |
12775 |
51.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.249 |
| 68 |
121 |
|
U |
5 |
2 |
12781 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12437 |
51.3 |
0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
| 69 |
122 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
10 |
6 |
11813 |
50.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.163 |
| 70 |
123 |
|
[MG]N:202 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9574 |
48.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.141 |
| 71 |
124 |
|
[MG]Y:302 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
7 |
6 |
10375 |
42.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.231 |
125 |
|
[MG]K:302 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
7 |
6 |
10382 |
41.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.231 |
| Average: |
41.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.231 |
| 72 |
126 |
|
[MES]Y:303 |
5 |
1 |
337 |
◊ |
X |
x,y,z |
1_555 |
5 |
1 |
10322 |
40.3 |
1.9 |
0.158 |
0 |
0 |
0 |
0.000 |
| 73 |
127 |
|
R |
5 |
1 |
12301 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13481 |
37.1 |
0.9 |
0.801 |
2 |
0 |
0 |
0.000 |
128 |
|
D |
4 |
1 |
12305 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13482 |
33.2 |
0.8 |
0.803 |
2 |
0 |
0 |
0.000 |
| Average: |
35.1 |
0.9 |
0.802 |
2 |
0 |
0 |
0.001 |
| 74 |
129 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13098 |
34.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.024 |
130 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13091 |
34.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
34.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 75 |
131 |
|
[MES]H:302 |
3 |
1 |
340 |
f |
Z |
x,y,z |
1_555 |
4 |
1 |
11813 |
34.3 |
1.2 |
0.349 |
0 |
0 |
0 |
0.000 |
| 76 |
132 |
|
[MES]V:302 |
3 |
1 |
342 |
f |
L |
x,y,z |
1_555 |
4 |
1 |
11809 |
33.9 |
1.2 |
0.370 |
0 |
0 |
0 |
0.000 |
| 77 |
133 |
|
[MG]Y:302 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
10088 |
29.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.113 |
134 |
|
[MG]K:302 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
10085 |
29.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
29.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.113 |
| 78 |
135 |
|
[3BV]N:201 |
3 |
1 |
1002 |
f |
[CL]N:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.057 |
136 |
|
[3BV]b:201 |
3 |
1 |
1000 |
f |
[CL]b:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
22.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.057 |
| 79 |
137 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12517 |
23.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.055 |
| 80 |
138 |
|
[CL]b:202 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
3 |
13091 |
21.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.019 |
139 |
|
[CL]N:203 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
3 |
13098 |
18.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
19.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 81 |
140 |
|
[CL]b:202 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
12511 |
17.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.047 |
141 |
|
[CL]N:203 |
1 |
1 |
125 |
◊ |
a |
x,y,z |
1_555 |
3 |
1 |
12517 |
16.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.047 |
| Average: |
16.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| 82 |
142 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
13098 |
13.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
| 83 |
143 |
|
V |
2 |
1 |
13091 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
12868 |
13.8 |
-0.2 |
0.438 |
0 |
0 |
0 |
0.000 |
144 |
|
H |
2 |
1 |
13098 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12885 |
11.0 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
| Average: |
12.4 |
-0.2 |
0.453 |
0 |
0 |
0 |
0.001 |
| 84 |
145 |
|
[3BV]H:301 |
2 |
1 |
1008 |
◊ |
Z |
x,y,z |
1_555 |
2 |
1 |
11813 |
13.2 |
-0.3 |
0.464 |
0 |
0 |
0 |
0.008 |
146 |
|
[3BV]V:301 |
1 |
1 |
1000 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11809 |
12.3 |
-0.3 |
0.426 |
0 |
0 |
0 |
0.008 |
| Average: |
12.8 |
-0.3 |
0.445 |
0 |
0 |
0 |
0.008 |
| 85 |
147 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
4 |
2 |
13481 |
9.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
148 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13482 |
8.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
9.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| 86 |
149 |
|
S |
1 |
1 |
11757 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13065 |
2.4 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
|