| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.620 |
0.000 |
0.000 |
-0.032 |
0.000 |
0.000 |
Slide |
0.000 |
3.659 |
1.378 |
0.000 |
-0.107 |
-0.253 |
Rise |
0.000 |
1.378 |
7.530 |
0.000 |
-0.052 |
-0.148 |
Tilt |
-0.032 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.107 |
-0.052 |
0.000 |
0.026 |
0.010 |
Twist |
0.000 |
-0.253 |
-0.148 |
0.000 |
0.010 |
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 |
1.827 |
0.000 |
0.000 |
0.018 |
0.000 |
0.000 |
Slide |
0.000 |
5.212 |
2.648 |
0.000 |
-0.038 |
-0.224 |
Rise |
0.000 |
2.648 |
9.746 |
0.000 |
0.002 |
-0.181 |
Tilt |
0.018 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.038 |
0.002 |
0.000 |
0.033 |
0.009 |
Twist |
0.000 |
-0.224 |
-0.181 |
0.000 |
0.009 |
0.063 |
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 |
1.197 |
0.000 |
0.000 |
-0.087 |
0.000 |
0.000 |
Slide |
0.000 |
2.511 |
0.623 |
0.000 |
-0.009 |
-0.083 |
Rise |
0.000 |
0.623 |
7.453 |
0.000 |
-0.113 |
-0.219 |
Tilt |
-0.087 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
-0.113 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.083 |
-0.219 |
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 |
1.216 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.305 |
0.614 |
0.000 |
-0.002 |
-0.080 |
Rise |
0.000 |
0.614 |
7.316 |
0.000 |
-0.099 |
-0.220 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
-0.099 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.080 |
-0.220 |
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 |
0.883 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
2.142 |
1.337 |
0.000 |
-0.044 |
-0.165 |
Rise |
0.000 |
1.337 |
6.963 |
0.000 |
-0.043 |
-0.165 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.043 |
0.000 |
0.022 |
0.012 |
Twist |
0.000 |
-0.165 |
-0.165 |
0.000 |
0.012 |
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 |
1.142 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
3.599 |
2.243 |
0.000 |
0.072 |
-0.159 |
Rise |
0.000 |
2.243 |
10.680 |
0.000 |
0.143 |
-0.213 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.072 |
0.143 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.159 |
-0.213 |
0.000 |
0.008 |
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 |
1.136 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
3.788 |
2.233 |
0.000 |
0.089 |
-0.196 |
Rise |
0.000 |
2.232 |
10.589 |
0.000 |
0.151 |
-0.226 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.089 |
0.151 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.196 |
-0.226 |
0.000 |
0.007 |
0.042 |
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 |
0.925 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.010 |
1.326 |
0.000 |
-0.045 |
-0.158 |
Rise |
0.000 |
1.326 |
7.047 |
0.000 |
-0.050 |
-0.169 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
-0.050 |
0.000 |
0.023 |
0.013 |
Twist |
0.000 |
-0.158 |
-0.170 |
0.000 |
0.013 |
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 |
1.638 |
0.000 |
0.000 |
-0.025 |
0.000 |
0.000 |
Slide |
0.000 |
3.562 |
1.292 |
0.000 |
-0.105 |
-0.241 |
Rise |
0.000 |
1.292 |
7.305 |
0.000 |
-0.045 |
-0.150 |
Tilt |
-0.025 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.105 |
-0.045 |
0.000 |
0.025 |
0.010 |
Twist |
0.000 |
-0.241 |
-0.150 |
0.000 |
0.010 |
0.045 |
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)