| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.370 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
3.087 |
1.439 |
0.000 |
-0.062 |
-0.203 |
Rise |
0.000 |
1.439 |
7.599 |
0.000 |
-0.044 |
-0.154 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
-0.044 |
0.000 |
0.025 |
0.005 |
Twist |
0.000 |
-0.203 |
-0.154 |
0.000 |
0.005 |
0.039 |
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 |
2.200 |
0.000 |
0.000 |
-0.006 |
0.000 |
0.000 |
Slide |
0.000 |
4.869 |
2.586 |
0.000 |
-0.008 |
-0.178 |
Rise |
0.000 |
2.586 |
10.330 |
0.000 |
0.066 |
-0.148 |
Tilt |
-0.006 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
0.066 |
0.000 |
0.034 |
0.006 |
Twist |
0.000 |
-0.178 |
-0.148 |
0.000 |
0.006 |
0.066 |
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 |
0.946 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
2.732 |
0.476 |
0.000 |
-0.001 |
-0.121 |
Rise |
0.000 |
0.476 |
8.153 |
0.000 |
-0.075 |
-0.242 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.075 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.121 |
-0.242 |
0.000 |
0.007 |
0.024 |
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 |
0.910 |
0.000 |
0.000 |
-0.110 |
0.000 |
0.000 |
Slide |
0.000 |
2.904 |
0.433 |
0.000 |
0.012 |
-0.128 |
Rise |
0.000 |
0.433 |
8.312 |
0.000 |
-0.088 |
-0.248 |
Tilt |
-0.110 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.088 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.128 |
-0.248 |
0.000 |
0.007 |
0.024 |
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 |
0.807 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
2.026 |
1.460 |
0.000 |
-0.028 |
-0.119 |
Rise |
0.000 |
1.460 |
7.749 |
0.000 |
-0.048 |
-0.186 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.028 |
-0.048 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.119 |
-0.186 |
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 |
-0.128 |
0.000 |
0.000 |
Slide |
0.000 |
3.119 |
2.262 |
0.000 |
0.068 |
-0.084 |
Rise |
0.000 |
2.262 |
10.751 |
0.000 |
0.139 |
-0.224 |
Tilt |
-0.128 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.068 |
0.139 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.084 |
-0.224 |
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 |
1.160 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
3.075 |
2.178 |
0.000 |
0.067 |
-0.090 |
Rise |
0.000 |
2.178 |
10.943 |
0.000 |
0.134 |
-0.234 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.067 |
0.134 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.090 |
-0.234 |
0.000 |
0.007 |
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 |
0.821 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
2.045 |
1.515 |
0.000 |
-0.040 |
-0.125 |
Rise |
0.000 |
1.515 |
8.062 |
0.000 |
-0.057 |
-0.186 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.057 |
0.000 |
0.024 |
0.012 |
Twist |
0.000 |
-0.125 |
-0.186 |
0.000 |
0.012 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.445 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
3.244 |
1.418 |
0.000 |
-0.055 |
-0.208 |
Rise |
0.000 |
1.418 |
7.614 |
0.000 |
-0.044 |
-0.158 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.044 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.208 |
-0.158 |
0.000 |
0.005 |
0.040 |
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)