| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.367 |
0.000 |
0.000 |
-0.018 |
0.000 |
0.000 |
Slide |
0.000 |
3.036 |
2.051 |
0.000 |
-0.099 |
-0.077 |
Rise |
0.000 |
2.051 |
8.173 |
0.000 |
-0.025 |
-0.207 |
Tilt |
-0.018 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.099 |
-0.025 |
0.000 |
0.029 |
0.008 |
Twist |
0.000 |
-0.077 |
-0.207 |
0.000 |
0.008 |
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 |
1.938 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Slide |
0.000 |
1.922 |
1.348 |
0.000 |
-0.068 |
-0.060 |
Rise |
0.000 |
1.348 |
7.094 |
0.000 |
0.007 |
-0.115 |
Tilt |
0.044 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.068 |
0.007 |
0.000 |
0.026 |
0.010 |
Twist |
0.000 |
-0.060 |
-0.115 |
0.000 |
0.010 |
0.032 |
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 |
1.143 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.598 |
1.566 |
0.000 |
-0.011 |
-0.129 |
Rise |
0.000 |
1.566 |
7.828 |
0.000 |
0.038 |
-0.200 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.011 |
0.038 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.129 |
-0.200 |
0.000 |
0.009 |
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 |
1.613 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
1.683 |
2.020 |
0.000 |
-0.055 |
-0.056 |
Rise |
0.000 |
2.020 |
7.293 |
0.000 |
-0.064 |
-0.157 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.064 |
0.000 |
0.028 |
0.015 |
Twist |
0.000 |
-0.056 |
-0.157 |
0.000 |
0.015 |
0.032 |
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 |
1.693 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
2.342 |
2.301 |
0.000 |
-0.047 |
-0.212 |
Rise |
0.000 |
2.301 |
6.364 |
0.000 |
0.021 |
-0.155 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
0.021 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.212 |
-0.155 |
0.000 |
0.007 |
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 |
2.990 |
0.000 |
0.000 |
-0.083 |
0.000 |
0.000 |
Slide |
0.000 |
3.430 |
2.366 |
0.000 |
-0.037 |
-0.162 |
Rise |
0.000 |
2.366 |
6.758 |
0.000 |
-0.032 |
-0.137 |
Tilt |
-0.083 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.032 |
0.000 |
0.028 |
0.007 |
Twist |
0.000 |
-0.162 |
-0.137 |
0.000 |
0.007 |
0.047 |
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 |
1.466 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
4.277 |
2.173 |
0.000 |
-0.020 |
-0.189 |
Rise |
0.000 |
2.173 |
7.922 |
0.000 |
0.007 |
-0.180 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
0.007 |
0.000 |
0.030 |
0.009 |
Twist |
0.000 |
-0.189 |
-0.180 |
0.000 |
0.009 |
0.061 |
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 |
1.021 |
0.000 |
0.000 |
-0.032 |
0.000 |
0.000 |
Slide |
0.000 |
3.414 |
2.303 |
0.000 |
0.017 |
-0.152 |
Rise |
0.000 |
2.303 |
8.478 |
0.000 |
0.053 |
-0.170 |
Tilt |
-0.032 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
0.053 |
0.000 |
0.017 |
0.005 |
Twist |
0.000 |
-0.152 |
-0.170 |
0.000 |
0.005 |
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 |
2.279 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
5.866 |
3.485 |
0.000 |
0.048 |
-0.300 |
Rise |
0.000 |
3.485 |
10.389 |
0.000 |
0.157 |
-0.176 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.048 |
0.157 |
0.000 |
0.029 |
0.001 |
Twist |
0.000 |
-0.300 |
-0.176 |
0.000 |
0.001 |
0.058 |
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 |
0.667 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.340 |
1.385 |
0.000 |
-0.028 |
-0.198 |
Rise |
0.000 |
1.385 |
5.301 |
0.000 |
0.025 |
-0.200 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.018 |
0.000 |
0.000 |
Roll |
0.000 |
-0.028 |
0.025 |
0.000 |
0.016 |
0.010 |
Twist |
0.000 |
-0.198 |
-0.200 |
0.000 |
0.010 |
0.046 |
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 |
0.521 |
0.000 |
0.000 |
-0.071 |
0.000 |
0.000 |
Slide |
0.000 |
1.721 |
0.887 |
0.000 |
-0.003 |
-0.126 |
Rise |
0.000 |
0.887 |
6.461 |
0.000 |
-0.068 |
-0.230 |
Tilt |
-0.071 |
0.000 |
0.000 |
0.020 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
-0.068 |
0.000 |
0.019 |
0.011 |
Twist |
0.000 |
-0.126 |
-0.230 |
0.000 |
0.011 |
0.026 |
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 |
0.814 |
0.000 |
0.000 |
-0.003 |
0.000 |
0.000 |
Slide |
0.000 |
2.466 |
1.799 |
0.000 |
-0.021 |
-0.201 |
Rise |
0.000 |
1.799 |
5.361 |
0.000 |
-0.006 |
-0.194 |
Tilt |
-0.003 |
0.000 |
0.000 |
0.011 |
0.000 |
0.000 |
Roll |
0.000 |
-0.021 |
-0.006 |
0.000 |
0.014 |
0.007 |
Twist |
0.000 |
-0.201 |
-0.194 |
0.000 |
0.007 |
0.032 |
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 |
0.590 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
3.371 |
0.483 |
0.000 |
-0.077 |
-0.277 |
Rise |
0.000 |
0.483 |
7.062 |
0.000 |
-0.032 |
-0.184 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.077 |
-0.032 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.277 |
-0.184 |
0.000 |
0.005 |
0.047 |
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 |
1.484 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Slide |
0.000 |
3.018 |
0.153 |
0.000 |
-0.108 |
-0.169 |
Rise |
0.000 |
0.153 |
7.725 |
0.000 |
-0.015 |
-0.115 |
Tilt |
0.034 |
0.000 |
0.000 |
0.019 |
0.000 |
0.000 |
Roll |
0.000 |
-0.108 |
-0.015 |
0.000 |
0.019 |
0.014 |
Twist |
0.000 |
-0.169 |
-0.115 |
0.000 |
0.014 |
0.036 |
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 |
0.927 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
2.500 |
-0.256 |
0.000 |
-0.104 |
-0.205 |
Rise |
0.000 |
-0.256 |
6.951 |
0.000 |
0.028 |
-0.114 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.104 |
0.028 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.205 |
-0.114 |
0.000 |
0.010 |
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)