| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.216 |
0.000 |
0.000 |
-0.011 |
0.000 |
0.000 |
Slide |
0.000 |
1.697 |
0.545 |
0.000 |
-0.019 |
-0.101 |
Rise |
0.000 |
0.545 |
5.664 |
0.000 |
-0.013 |
-0.120 |
Tilt |
-0.011 |
0.000 |
0.000 |
0.011 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
-0.013 |
0.000 |
0.011 |
0.003 |
Twist |
0.000 |
-0.101 |
-0.120 |
0.000 |
0.003 |
0.011 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.748 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
3.884 |
2.581 |
0.000 |
0.024 |
-0.085 |
Rise |
0.000 |
2.581 |
10.660 |
0.000 |
0.084 |
-0.257 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.024 |
0.084 |
0.000 |
0.025 |
0.012 |
Twist |
0.000 |
-0.085 |
-0.257 |
0.000 |
0.012 |
0.034 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.048 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
3.098 |
2.502 |
0.000 |
0.016 |
-0.054 |
Rise |
0.000 |
2.502 |
9.600 |
0.000 |
0.076 |
-0.181 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
0.076 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.054 |
-0.181 |
0.000 |
0.009 |
0.028 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.177 |
0.000 |
0.000 |
0.018 |
0.000 |
0.000 |
Slide |
0.000 |
4.700 |
2.622 |
0.000 |
-0.044 |
-0.052 |
Rise |
0.000 |
2.622 |
11.361 |
0.000 |
0.087 |
-0.134 |
Tilt |
0.018 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
0.087 |
0.000 |
0.028 |
0.009 |
Twist |
0.000 |
-0.052 |
-0.134 |
0.000 |
0.009 |
0.030 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.388 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Slide |
0.000 |
4.607 |
2.438 |
0.000 |
-0.045 |
-0.114 |
Rise |
0.000 |
2.438 |
10.126 |
0.000 |
0.059 |
-0.129 |
Tilt |
0.001 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
0.059 |
0.000 |
0.027 |
0.011 |
Twist |
0.000 |
-0.114 |
-0.129 |
0.000 |
0.011 |
0.043 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.166 |
0.000 |
0.000 |
-0.002 |
0.000 |
0.000 |
Slide |
0.000 |
1.336 |
0.147 |
0.000 |
-0.027 |
-0.082 |
Rise |
0.000 |
0.146 |
4.283 |
0.000 |
-0.004 |
-0.070 |
Tilt |
-0.002 |
0.000 |
0.000 |
0.011 |
0.000 |
0.000 |
Roll |
0.000 |
-0.027 |
-0.004 |
0.000 |
0.009 |
0.003 |
Twist |
0.000 |
-0.082 |
-0.070 |
0.000 |
0.003 |
0.009 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.776 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
2.353 |
0.870 |
0.000 |
0.011 |
-0.123 |
Rise |
0.000 |
0.870 |
6.434 |
0.000 |
-0.075 |
-0.180 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.075 |
0.000 |
0.015 |
0.006 |
Twist |
0.000 |
-0.123 |
-0.180 |
0.000 |
0.006 |
0.028 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.029 |
0.000 |
0.000 |
-0.127 |
0.000 |
0.000 |
Slide |
0.000 |
2.792 |
1.062 |
0.000 |
0.006 |
-0.128 |
Rise |
0.000 |
1.062 |
6.765 |
0.000 |
-0.050 |
-0.185 |
Tilt |
-0.127 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.050 |
0.000 |
0.014 |
0.004 |
Twist |
0.000 |
-0.128 |
-0.185 |
0.000 |
0.004 |
0.029 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.507 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
1.856 |
1.144 |
0.000 |
0.017 |
-0.100 |
Rise |
0.000 |
1.144 |
7.564 |
0.000 |
-0.087 |
-0.218 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
-0.087 |
0.000 |
0.015 |
0.009 |
Twist |
0.000 |
-0.100 |
-0.218 |
0.000 |
0.009 |
0.029 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.439 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
2.295 |
0.972 |
0.000 |
0.030 |
-0.105 |
Rise |
0.000 |
0.972 |
7.548 |
0.000 |
-0.083 |
-0.216 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.030 |
-0.083 |
0.000 |
0.015 |
0.009 |
Twist |
0.000 |
-0.105 |
-0.216 |
0.000 |
0.009 |
0.031 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)