| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.733 |
0.000 |
0.000 |
-0.044 |
0.000 |
0.000 |
Slide |
0.000 |
2.458 |
0.735 |
0.000 |
-0.051 |
-0.110 |
Rise |
0.000 |
0.735 |
6.125 |
0.000 |
-0.020 |
-0.133 |
Tilt |
-0.044 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.020 |
0.000 |
0.019 |
0.011 |
Twist |
0.000 |
-0.110 |
-0.133 |
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 |
1.066 |
0.000 |
0.000 |
0.020 |
0.000 |
0.000 |
Slide |
0.000 |
3.136 |
1.196 |
0.000 |
0.003 |
-0.082 |
Rise |
0.000 |
1.196 |
6.280 |
0.000 |
0.040 |
-0.152 |
Tilt |
0.020 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
0.040 |
0.000 |
0.017 |
0.008 |
Twist |
0.000 |
-0.082 |
-0.152 |
0.000 |
0.008 |
0.048 |
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 |
1.181 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
1.212 |
0.109 |
0.000 |
0.036 |
0.009 |
Rise |
0.000 |
0.109 |
1.239 |
0.000 |
-0.005 |
0.050 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.019 |
0.000 |
0.000 |
Roll |
0.000 |
0.036 |
-0.005 |
0.000 |
0.009 |
0.000 |
Twist |
0.000 |
0.009 |
0.050 |
0.000 |
0.000 |
0.008 |
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 |
1.462 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
1.349 |
-0.117 |
0.000 |
0.042 |
0.009 |
Rise |
0.000 |
-0.117 |
6.380 |
0.000 |
-0.116 |
-0.201 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.018 |
0.000 |
0.000 |
Roll |
0.000 |
0.042 |
-0.116 |
0.000 |
0.012 |
0.007 |
Twist |
0.000 |
0.009 |
-0.201 |
0.000 |
0.007 |
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 |
1.503 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
1.449 |
0.930 |
0.000 |
-0.014 |
0.001 |
Rise |
0.000 |
0.930 |
5.456 |
0.000 |
-0.092 |
-0.138 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.020 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
-0.092 |
0.000 |
0.021 |
0.013 |
Twist |
0.000 |
0.001 |
-0.138 |
0.000 |
0.013 |
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 |
0.225 |
0.000 |
0.000 |
0.006 |
0.000 |
0.000 |
Slide |
0.000 |
0.347 |
-0.228 |
0.000 |
-0.011 |
-0.006 |
Rise |
0.000 |
-0.228 |
0.661 |
0.000 |
0.020 |
-0.001 |
Tilt |
0.006 |
0.000 |
0.000 |
0.006 |
0.000 |
0.000 |
Roll |
0.000 |
-0.011 |
0.020 |
0.000 |
0.004 |
0.001 |
Twist |
0.000 |
-0.006 |
-0.001 |
0.000 |
0.001 |
0.003 |
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 |
0.056 |
0.000 |
0.000 |
0.005 |
0.000 |
0.000 |
Slide |
0.000 |
0.087 |
-0.043 |
0.000 |
-0.008 |
-0.004 |
Rise |
0.000 |
-0.043 |
0.158 |
0.000 |
0.018 |
-0.000 |
Tilt |
0.005 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
0.018 |
0.000 |
0.004 |
0.000 |
Twist |
0.000 |
-0.004 |
-0.000 |
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 |
1.557 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
1.666 |
0.946 |
0.000 |
-0.018 |
-0.021 |
Rise |
0.000 |
0.946 |
5.826 |
0.000 |
-0.073 |
-0.151 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.018 |
-0.073 |
0.000 |
0.020 |
0.013 |
Twist |
0.000 |
-0.021 |
-0.151 |
0.000 |
0.013 |
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 |
1.941 |
0.000 |
0.000 |
-0.040 |
0.000 |
0.000 |
Slide |
0.000 |
2.962 |
1.166 |
0.000 |
-0.042 |
-0.138 |
Rise |
0.000 |
1.166 |
6.082 |
0.000 |
-0.029 |
-0.178 |
Tilt |
-0.040 |
0.000 |
0.000 |
0.016 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.029 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.138 |
-0.178 |
0.000 |
0.011 |
0.048 |
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)