| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.107 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
3.867 |
0.398 |
0.000 |
-0.121 |
-0.288 |
Rise |
0.000 |
0.398 |
9.267 |
0.000 |
-0.023 |
-0.156 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.121 |
-0.023 |
0.000 |
0.026 |
0.018 |
Twist |
0.000 |
-0.288 |
-0.156 |
0.000 |
0.018 |
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 |
0.948 |
0.000 |
0.000 |
-0.148 |
0.000 |
0.000 |
Slide |
0.000 |
7.019 |
0.058 |
0.000 |
-0.046 |
-0.522 |
Rise |
0.000 |
0.058 |
11.263 |
0.000 |
0.025 |
-0.174 |
Tilt |
-0.148 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.046 |
0.025 |
0.000 |
0.026 |
0.008 |
Twist |
0.000 |
-0.522 |
-0.174 |
0.000 |
0.008 |
0.089 |
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 |
3.057 |
0.000 |
0.000 |
-0.068 |
0.000 |
0.000 |
Slide |
0.000 |
8.264 |
2.380 |
0.000 |
-0.007 |
-0.401 |
Rise |
0.000 |
2.380 |
15.727 |
0.000 |
0.146 |
-0.191 |
Tilt |
-0.068 |
0.000 |
0.000 |
0.063 |
0.000 |
0.000 |
Roll |
0.000 |
-0.007 |
0.146 |
0.000 |
0.051 |
0.008 |
Twist |
0.000 |
-0.401 |
-0.191 |
0.000 |
0.008 |
0.104 |
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 |
0.709 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
2.461 |
1.042 |
0.000 |
0.030 |
-0.099 |
Rise |
0.000 |
1.042 |
7.228 |
0.000 |
-0.046 |
-0.175 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.030 |
-0.046 |
0.000 |
0.015 |
0.007 |
Twist |
0.000 |
-0.099 |
-0.175 |
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 |
1.084 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
2.817 |
2.629 |
0.000 |
0.071 |
-0.052 |
Rise |
0.000 |
2.629 |
10.949 |
0.000 |
0.126 |
-0.210 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.071 |
0.126 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.052 |
-0.210 |
0.000 |
0.005 |
0.030 |
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 |
1.168 |
0.000 |
0.000 |
-0.127 |
0.000 |
0.000 |
Slide |
0.000 |
3.170 |
2.535 |
0.000 |
0.057 |
-0.078 |
Rise |
0.000 |
2.535 |
10.715 |
0.000 |
0.119 |
-0.213 |
Tilt |
-0.127 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.057 |
0.119 |
0.000 |
0.027 |
0.008 |
Twist |
0.000 |
-0.078 |
-0.213 |
0.000 |
0.008 |
0.033 |
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 |
0.958 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
1.862 |
0.973 |
0.000 |
0.000 |
-0.083 |
Rise |
0.000 |
0.973 |
7.424 |
0.000 |
-0.071 |
-0.206 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.000 |
-0.071 |
0.000 |
0.016 |
0.011 |
Twist |
0.000 |
-0.083 |
-0.206 |
0.000 |
0.011 |
0.030 |
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 |
1.061 |
0.000 |
0.000 |
-0.178 |
0.000 |
0.000 |
Slide |
0.000 |
8.575 |
0.731 |
0.000 |
-0.055 |
-0.560 |
Rise |
0.000 |
0.731 |
10.631 |
0.000 |
0.030 |
-0.155 |
Tilt |
-0.178 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
0.030 |
0.000 |
0.026 |
0.002 |
Twist |
0.000 |
-0.560 |
-0.155 |
0.000 |
0.002 |
0.105 |
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 |
1.347 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
3.656 |
1.023 |
0.000 |
-0.122 |
-0.258 |
Rise |
0.000 |
1.023 |
8.626 |
0.000 |
-0.089 |
-0.128 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.122 |
-0.089 |
0.000 |
0.034 |
0.015 |
Twist |
0.000 |
-0.258 |
-0.128 |
0.000 |
0.015 |
0.057 |
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)