| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.525 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
4.263 |
3.389 |
0.000 |
0.003 |
-0.153 |
Rise |
0.000 |
3.389 |
11.150 |
0.000 |
0.085 |
-0.203 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
0.085 |
0.000 |
0.030 |
0.008 |
Twist |
0.000 |
-0.153 |
-0.203 |
0.000 |
0.008 |
0.049 |
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 |
0.896 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
2.100 |
1.774 |
0.000 |
-0.049 |
-0.135 |
Rise |
0.000 |
1.774 |
8.533 |
0.000 |
-0.021 |
-0.176 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.021 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.135 |
-0.176 |
0.000 |
0.006 |
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 |
0.060 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
Slide |
0.000 |
0.625 |
-0.432 |
0.000 |
-0.009 |
0.012 |
Rise |
0.000 |
-0.432 |
0.562 |
0.000 |
0.020 |
-0.006 |
Tilt |
0.004 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
0.020 |
0.000 |
0.003 |
0.003 |
Twist |
0.000 |
0.012 |
-0.006 |
0.000 |
0.003 |
0.004 |
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 |
1.703 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Slide |
0.000 |
5.073 |
3.128 |
0.000 |
-0.066 |
-0.139 |
Rise |
0.000 |
3.128 |
11.915 |
0.000 |
0.099 |
-0.121 |
Tilt |
0.001 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
0.099 |
0.000 |
0.030 |
0.016 |
Twist |
0.000 |
-0.139 |
-0.121 |
0.000 |
0.016 |
0.052 |
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 |
0.627 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
2.448 |
0.781 |
0.000 |
0.013 |
-0.083 |
Rise |
0.000 |
0.781 |
6.819 |
0.000 |
-0.097 |
-0.202 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.097 |
0.000 |
0.016 |
0.010 |
Twist |
0.000 |
-0.083 |
-0.202 |
0.000 |
0.010 |
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 |
1.282 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
3.221 |
1.858 |
0.000 |
-0.073 |
-0.206 |
Rise |
0.000 |
1.858 |
6.530 |
0.000 |
-0.040 |
-0.167 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.073 |
-0.040 |
0.000 |
0.022 |
0.003 |
Twist |
0.000 |
-0.206 |
-0.167 |
0.000 |
0.003 |
0.038 |
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 |
0.775 |
0.000 |
0.000 |
-0.113 |
0.000 |
0.000 |
Slide |
0.000 |
2.621 |
1.121 |
0.000 |
-0.059 |
-0.121 |
Rise |
0.000 |
1.121 |
9.127 |
0.000 |
-0.019 |
-0.126 |
Tilt |
-0.113 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
-0.019 |
0.000 |
0.025 |
0.012 |
Twist |
0.000 |
-0.121 |
-0.126 |
0.000 |
0.012 |
0.038 |
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 |
1.272 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
2.448 |
1.763 |
0.000 |
-0.025 |
-0.171 |
Rise |
0.000 |
1.763 |
8.126 |
0.000 |
-0.031 |
-0.160 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.025 |
-0.031 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.171 |
-0.160 |
0.000 |
0.010 |
0.041 |
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 |
1.574 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
2.256 |
1.769 |
0.000 |
0.012 |
-0.164 |
Rise |
0.000 |
1.769 |
7.345 |
0.000 |
-0.003 |
-0.151 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.003 |
0.000 |
0.021 |
0.004 |
Twist |
0.000 |
-0.164 |
-0.151 |
0.000 |
0.004 |
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 |
0.774 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
1.726 |
1.955 |
0.000 |
-0.024 |
-0.105 |
Rise |
0.000 |
1.955 |
8.171 |
0.000 |
-0.030 |
-0.174 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
-0.030 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.105 |
-0.174 |
0.000 |
0.008 |
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 |
1.147 |
0.000 |
0.000 |
-0.046 |
0.000 |
0.000 |
Slide |
0.000 |
3.403 |
2.963 |
0.000 |
0.036 |
-0.130 |
Rise |
0.000 |
2.963 |
11.836 |
0.000 |
0.168 |
-0.198 |
Tilt |
-0.046 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.036 |
0.168 |
0.000 |
0.026 |
0.009 |
Twist |
0.000 |
-0.130 |
-0.198 |
0.000 |
0.009 |
0.041 |
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 |
0.393 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
2.718 |
0.682 |
0.000 |
0.001 |
-0.176 |
Rise |
0.000 |
0.682 |
8.174 |
0.000 |
-0.090 |
-0.213 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.090 |
0.000 |
0.016 |
0.011 |
Twist |
0.000 |
-0.176 |
-0.213 |
0.000 |
0.011 |
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 |
0.917 |
0.000 |
0.000 |
-0.096 |
0.000 |
0.000 |
Slide |
0.000 |
2.060 |
1.207 |
0.000 |
-0.037 |
-0.119 |
Rise |
0.000 |
1.207 |
7.780 |
0.000 |
-0.040 |
-0.169 |
Tilt |
-0.096 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.040 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.119 |
-0.169 |
0.000 |
0.011 |
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 |
0.613 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.664 |
0.830 |
0.000 |
0.007 |
-0.110 |
Rise |
0.000 |
0.830 |
7.749 |
0.000 |
-0.076 |
-0.209 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.076 |
0.000 |
0.017 |
0.009 |
Twist |
0.000 |
-0.110 |
-0.209 |
0.000 |
0.009 |
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 |
0.587 |
0.000 |
0.000 |
-0.054 |
0.000 |
0.000 |
Slide |
0.000 |
3.030 |
0.619 |
0.000 |
-0.010 |
-0.144 |
Rise |
0.000 |
0.619 |
8.090 |
0.000 |
-0.078 |
-0.220 |
Tilt |
-0.054 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.010 |
-0.078 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.144 |
-0.220 |
0.000 |
0.009 |
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)