| Shift | Slide | Rise | Tilt | Roll | Twist |
| Shift |
1.547 |
0.000 |
0.000 |
-0.147 |
0.000 |
0.000 |
| Slide |
0.000 |
2.285 |
1.649 |
0.000 |
0.002 |
-0.099 |
| Rise |
0.000 |
1.649 |
6.062 |
0.000 |
-0.071 |
-0.200 |
| Tilt |
-0.147 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
| Roll |
0.000 |
0.002 |
-0.071 |
0.000 |
0.016 |
0.006 |
| Twist |
0.000 |
-0.099 |
-0.200 |
0.000 |
0.006 |
0.023 |
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 |
0.990 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
| Slide |
0.000 |
2.202 |
1.616 |
0.000 |
-0.001 |
-0.217 |
| Rise |
0.000 |
1.616 |
7.893 |
0.000 |
-0.038 |
-0.163 |
| Tilt |
-0.098 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.001 |
-0.038 |
0.000 |
0.022 |
0.008 |
| Twist |
0.000 |
-0.217 |
-0.163 |
0.000 |
0.008 |
0.041 |
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 |
0.999 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
| Slide |
0.000 |
1.872 |
1.509 |
0.000 |
0.008 |
-0.178 |
| Rise |
0.000 |
1.509 |
7.171 |
0.000 |
-0.011 |
-0.161 |
| Tilt |
-0.094 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
| Roll |
0.000 |
0.008 |
-0.011 |
0.000 |
0.019 |
0.007 |
| Twist |
0.000 |
-0.178 |
-0.161 |
0.000 |
0.007 |
0.035 |
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 |
0.989 |
0.000 |
0.000 |
-0.096 |
0.000 |
0.000 |
| Slide |
0.000 |
2.151 |
1.491 |
0.000 |
0.006 |
-0.218 |
| Rise |
0.000 |
1.491 |
7.611 |
0.000 |
-0.030 |
-0.144 |
| Tilt |
-0.096 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
| Roll |
0.000 |
0.006 |
-0.030 |
0.000 |
0.022 |
0.007 |
| Twist |
0.000 |
-0.218 |
-0.144 |
0.000 |
0.007 |
0.044 |
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 |
1.568 |
0.000 |
0.000 |
-0.033 |
0.000 |
0.000 |
| Slide |
0.000 |
4.368 |
2.840 |
0.000 |
0.016 |
-0.193 |
| Rise |
0.000 |
2.840 |
9.007 |
0.000 |
0.064 |
-0.182 |
| Tilt |
-0.033 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
| Roll |
0.000 |
0.016 |
0.064 |
0.000 |
0.028 |
0.008 |
| Twist |
0.000 |
-0.193 |
-0.182 |
0.000 |
0.008 |
0.051 |
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 |
1.209 |
0.000 |
0.000 |
-0.040 |
0.000 |
0.000 |
| Slide |
0.000 |
3.196 |
2.530 |
0.000 |
0.018 |
-0.128 |
| Rise |
0.000 |
2.530 |
8.806 |
0.000 |
0.079 |
-0.185 |
| Tilt |
-0.040 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
| Roll |
0.000 |
0.018 |
0.079 |
0.000 |
0.025 |
0.010 |
| Twist |
0.000 |
-0.128 |
-0.185 |
0.000 |
0.010 |
0.037 |
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 |
1.265 |
0.000 |
0.000 |
-0.058 |
0.000 |
0.000 |
| Slide |
0.000 |
3.941 |
3.033 |
0.000 |
0.016 |
-0.130 |
| Rise |
0.000 |
3.033 |
9.855 |
0.000 |
0.064 |
-0.236 |
| Tilt |
-0.058 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
| Roll |
0.000 |
0.016 |
0.064 |
0.000 |
0.027 |
0.012 |
| Twist |
0.000 |
-0.130 |
-0.236 |
0.000 |
0.012 |
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 |
1.630 |
0.000 |
0.000 |
-0.037 |
0.000 |
0.000 |
| Slide |
0.000 |
4.421 |
2.978 |
0.000 |
0.018 |
-0.212 |
| Rise |
0.000 |
2.978 |
9.529 |
0.000 |
0.056 |
-0.219 |
| Tilt |
-0.037 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
| Roll |
0.000 |
0.018 |
0.056 |
0.000 |
0.029 |
0.006 |
| Twist |
0.000 |
-0.212 |
-0.219 |
0.000 |
0.006 |
0.050 |
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 |
1.494 |
0.000 |
0.000 |
-0.002 |
0.000 |
0.000 |
| Slide |
0.000 |
2.064 |
0.645 |
0.000 |
0.015 |
-0.024 |
| Rise |
0.000 |
0.645 |
7.611 |
0.000 |
-0.153 |
-0.230 |
| Tilt |
-0.002 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
| Roll |
0.000 |
0.015 |
-0.153 |
0.000 |
0.023 |
0.009 |
| Twist |
0.000 |
-0.024 |
-0.230 |
0.000 |
0.009 |
0.019 |
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 |
0.344 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
| Slide |
0.000 |
0.967 |
-0.010 |
0.000 |
0.004 |
-0.020 |
| Rise |
0.000 |
-0.010 |
3.614 |
0.000 |
-0.061 |
-0.117 |
| Tilt |
0.007 |
0.000 |
0.000 |
0.012 |
0.000 |
0.000 |
| Roll |
0.000 |
0.004 |
-0.061 |
0.000 |
0.006 |
0.001 |
| Twist |
0.000 |
-0.020 |
-0.117 |
0.000 |
0.001 |
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 |
1.554 |
0.000 |
0.000 |
-0.000 |
0.000 |
0.000 |
| Slide |
0.000 |
2.334 |
0.619 |
0.000 |
0.017 |
-0.030 |
| Rise |
0.000 |
0.619 |
8.403 |
0.000 |
-0.171 |
-0.247 |
| Tilt |
-0.000 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
| Roll |
0.000 |
0.017 |
-0.171 |
0.000 |
0.024 |
0.010 |
| Twist |
0.000 |
-0.030 |
-0.247 |
0.000 |
0.010 |
0.020 |
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 |
1.543 |
0.000 |
0.000 |
-0.003 |
0.000 |
0.000 |
| Slide |
0.000 |
2.295 |
0.754 |
0.000 |
0.017 |
-0.031 |
| Rise |
0.000 |
0.754 |
8.497 |
0.000 |
-0.171 |
-0.249 |
| Tilt |
-0.003 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
| Roll |
0.000 |
0.017 |
-0.171 |
0.000 |
0.025 |
0.009 |
| Twist |
0.000 |
-0.031 |
-0.249 |
0.000 |
0.009 |
0.019 |
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 |
1.059 |
0.000 |
0.000 |
-0.100 |
0.000 |
0.000 |
| Slide |
0.000 |
3.440 |
1.060 |
0.000 |
-0.054 |
-0.250 |
| Rise |
0.000 |
1.060 |
8.894 |
0.000 |
0.002 |
-0.198 |
| Tilt |
-0.100 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.054 |
0.002 |
0.000 |
0.022 |
0.011 |
| Twist |
0.000 |
-0.250 |
-0.198 |
0.000 |
0.011 |
0.042 |
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 |
1.006 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
| Slide |
0.000 |
3.703 |
0.921 |
0.000 |
-0.059 |
-0.231 |
| Rise |
0.000 |
0.921 |
9.114 |
0.000 |
0.006 |
-0.191 |
| Tilt |
-0.103 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.059 |
0.006 |
0.000 |
0.022 |
0.012 |
| Twist |
0.000 |
-0.231 |
-0.191 |
0.000 |
0.012 |
0.042 |
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 |
1.086 |
0.000 |
0.000 |
-0.104 |
0.000 |
0.000 |
| Slide |
0.000 |
3.738 |
0.939 |
0.000 |
-0.062 |
-0.263 |
| Rise |
0.000 |
0.939 |
9.142 |
0.000 |
0.017 |
-0.175 |
| Tilt |
-0.104 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.062 |
0.017 |
0.000 |
0.022 |
0.012 |
| Twist |
0.000 |
-0.263 |
-0.175 |
0.000 |
0.012 |
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)