| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
6.449 |
0.000 |
0.000 |
0.016 |
0.000 |
0.000 |
Slide |
0.000 |
36.146 |
-1.827 |
0.000 |
-0.235 |
-0.163 |
Rise |
0.000 |
-1.827 |
53.607 |
0.000 |
0.047 |
0.272 |
Tilt |
0.017 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Roll |
0.000 |
-0.235 |
0.047 |
0.000 |
0.055 |
-0.000 |
Twist |
0.000 |
-0.163 |
0.272 |
0.000 |
-0.000 |
0.015 |
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 |
5.225 |
0.000 |
0.000 |
0.013 |
0.000 |
0.000 |
Slide |
0.000 |
39.026 |
0.082 |
0.000 |
-0.188 |
0.269 |
Rise |
0.000 |
0.080 |
55.374 |
0.000 |
-0.030 |
0.232 |
Tilt |
0.013 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Roll |
0.000 |
-0.188 |
-0.030 |
0.000 |
0.056 |
0.002 |
Twist |
0.000 |
0.269 |
0.233 |
0.000 |
0.002 |
0.013 |
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 |
17.239 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Slide |
0.000 |
15.007 |
-0.005 |
0.000 |
-0.011 |
0.000 |
Rise |
0.000 |
0.046 |
0.381 |
0.000 |
0.000 |
0.094 |
Tilt |
0.039 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
0.000 |
0.000 |
0.000 |
0.000 |
Twist |
0.000 |
0.011 |
0.094 |
0.000 |
-0.000 |
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 |
12.257 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
17.989 |
0.752 |
0.000 |
-0.016 |
0.216 |
Rise |
0.000 |
1.029 |
0.413 |
0.000 |
-0.002 |
0.093 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.018 |
0.000 |
0.000 |
Roll |
0.000 |
-0.018 |
-0.002 |
0.000 |
0.000 |
-0.000 |
Twist |
0.000 |
0.266 |
0.092 |
0.000 |
-0.000 |
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 |
1.396 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Slide |
0.000 |
6.865 |
2.770 |
0.000 |
-0.054 |
-0.000 |
Rise |
0.000 |
2.770 |
1.703 |
0.000 |
0.020 |
-0.031 |
Tilt |
0.039 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
0.020 |
0.000 |
0.028 |
-0.007 |
Twist |
0.000 |
-0.000 |
-0.031 |
0.000 |
-0.007 |
0.017 |
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 |
1.407 |
0.000 |
0.000 |
0.055 |
0.000 |
0.000 |
Slide |
0.000 |
5.860 |
2.410 |
0.000 |
-0.066 |
-0.012 |
Rise |
0.000 |
2.410 |
5.669 |
0.000 |
0.082 |
-0.105 |
Tilt |
0.055 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
0.082 |
0.000 |
0.032 |
-0.005 |
Twist |
0.000 |
-0.012 |
-0.105 |
0.000 |
-0.005 |
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 |
0.472 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
2.926 |
-0.960 |
0.000 |
-0.021 |
-0.091 |
Rise |
0.000 |
-0.960 |
1.213 |
0.000 |
0.021 |
-0.047 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.005 |
0.000 |
0.000 |
Roll |
0.000 |
-0.021 |
0.021 |
0.000 |
0.028 |
0.004 |
Twist |
0.000 |
-0.091 |
-0.047 |
0.000 |
0.004 |
0.021 |
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 |
2.490 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Slide |
0.000 |
1.873 |
-0.234 |
0.000 |
0.022 |
0.002 |
Rise |
0.000 |
-0.234 |
1.226 |
0.000 |
0.103 |
-0.069 |
Tilt |
0.047 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
0.022 |
0.103 |
0.000 |
0.016 |
-0.003 |
Twist |
0.000 |
0.002 |
-0.069 |
0.000 |
-0.003 |
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 |
0.129 |
0.000 |
0.000 |
-0.011 |
0.000 |
0.000 |
Slide |
0.000 |
3.179 |
0.847 |
0.000 |
-0.032 |
-0.090 |
Rise |
0.000 |
0.847 |
0.831 |
0.000 |
0.062 |
-0.073 |
Tilt |
-0.011 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
Roll |
0.000 |
-0.032 |
0.062 |
0.000 |
0.022 |
-0.000 |
Twist |
0.000 |
-0.090 |
-0.073 |
0.000 |
-0.000 |
0.017 |
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)