| Shift | Slide | Rise | Tilt | Roll | Twist |
| Shift |
0.611 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
| Slide |
0.000 |
0.729 |
0.183 |
0.000 |
-0.005 |
0.009 |
| Rise |
0.000 |
0.183 |
0.298 |
0.000 |
-0.002 |
0.009 |
| Tilt |
0.017 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.005 |
-0.002 |
0.000 |
0.000 |
-0.000 |
| Twist |
0.000 |
0.009 |
0.009 |
0.000 |
-0.000 |
0.001 |
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 |
2.773 |
0.000 |
0.000 |
0.101 |
0.000 |
0.000 |
| Slide |
0.000 |
3.262 |
-1.134 |
0.000 |
-0.034 |
0.014 |
| Rise |
0.000 |
-1.130 |
1.672 |
0.000 |
0.022 |
-0.021 |
| Tilt |
0.101 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.034 |
0.022 |
0.000 |
0.001 |
-0.000 |
| Twist |
0.000 |
0.014 |
-0.021 |
0.000 |
-0.000 |
0.001 |
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 |
2.418 |
0.000 |
0.000 |
0.087 |
0.000 |
0.000 |
| Slide |
0.000 |
2.698 |
-0.403 |
0.000 |
-0.021 |
0.009 |
| Rise |
0.000 |
-0.402 |
1.116 |
0.000 |
0.011 |
-0.014 |
| Tilt |
0.087 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.021 |
0.011 |
0.000 |
0.000 |
-0.000 |
| Twist |
0.000 |
0.009 |
-0.014 |
0.000 |
-0.000 |
0.001 |
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 |
1.328 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
| Slide |
0.000 |
1.167 |
-0.334 |
0.000 |
-0.015 |
0.005 |
| Rise |
0.000 |
-0.333 |
0.645 |
0.000 |
0.003 |
-0.010 |
| Tilt |
0.047 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.015 |
0.003 |
0.000 |
0.000 |
-0.000 |
| Twist |
0.000 |
0.005 |
-0.010 |
0.000 |
-0.000 |
0.001 |
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 |
0.138 |
0.000 |
0.000 |
-0.002 |
0.000 |
0.000 |
| Slide |
0.000 |
0.132 |
0.060 |
0.000 |
0.001 |
0.002 |
| Rise |
0.000 |
0.060 |
0.117 |
0.000 |
-0.001 |
-0.001 |
| Tilt |
-0.002 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
| Roll |
0.000 |
0.001 |
-0.001 |
0.000 |
0.000 |
-0.000 |
| Twist |
0.000 |
0.002 |
-0.001 |
0.000 |
-0.000 |
0.000 |
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 |
1.085 |
0.000 |
0.000 |
-0.027 |
0.000 |
0.000 |
| Slide |
0.000 |
0.753 |
0.059 |
0.000 |
0.043 |
0.003 |
| Rise |
0.000 |
0.059 |
0.338 |
0.000 |
-0.002 |
-0.002 |
| Tilt |
-0.027 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
| Roll |
0.000 |
0.043 |
-0.002 |
0.000 |
0.004 |
-0.000 |
| Twist |
0.000 |
0.003 |
-0.002 |
0.000 |
-0.000 |
0.000 |
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 |
0.029 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
| Slide |
0.000 |
0.420 |
0.212 |
0.000 |
0.027 |
-0.003 |
| Rise |
0.000 |
0.212 |
0.418 |
0.000 |
0.021 |
-0.005 |
| Tilt |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
| Roll |
0.000 |
0.027 |
0.021 |
0.000 |
0.003 |
-0.000 |
| Twist |
0.000 |
-0.003 |
-0.005 |
0.000 |
-0.000 |
0.000 |
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 |
2.279 |
0.000 |
0.000 |
-0.045 |
0.000 |
0.000 |
| Slide |
0.000 |
3.750 |
2.304 |
0.000 |
0.113 |
0.119 |
| Rise |
0.000 |
2.287 |
2.061 |
0.000 |
-0.011 |
0.092 |
| Tilt |
-0.045 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
| Roll |
0.000 |
0.114 |
-0.009 |
0.000 |
0.016 |
-0.000 |
| Twist |
0.000 |
0.118 |
0.093 |
0.000 |
-0.000 |
0.006 |
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 |
0.214 |
0.000 |
0.000 |
-0.004 |
0.000 |
0.000 |
| Slide |
0.000 |
0.260 |
0.082 |
0.000 |
0.011 |
0.004 |
| Rise |
0.000 |
0.082 |
0.127 |
0.000 |
0.002 |
-0.000 |
| Tilt |
-0.004 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
| Roll |
0.000 |
0.011 |
0.002 |
0.000 |
0.001 |
0.000 |
| Twist |
0.000 |
0.004 |
-0.000 |
0.000 |
0.000 |
0.000 |
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)