| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.798 |
0.110 |
0.522 |
-0.043 |
-0.001 |
0.018 |
Slide |
0.110 |
4.177 |
2.916 |
-0.009 |
0.034 |
-0.099 |
Rise |
0.522 |
2.916 |
11.214 |
0.047 |
0.118 |
-0.190 |
Tilt |
-0.043 |
-0.009 |
0.047 |
0.042 |
0.005 |
0.006 |
Roll |
-0.001 |
0.034 |
0.118 |
0.005 |
0.022 |
0.009 |
Twist |
0.018 |
-0.099 |
-0.190 |
0.006 |
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 |
1.026 |
-0.106 |
0.435 |
-0.063 |
0.049 |
0.053 |
Slide |
-0.106 |
2.221 |
1.755 |
-0.029 |
-0.061 |
-0.083 |
Rise |
0.435 |
1.755 |
9.763 |
-0.283 |
-0.070 |
-0.220 |
Tilt |
-0.063 |
-0.029 |
-0.283 |
0.049 |
0.005 |
0.008 |
Roll |
0.049 |
-0.061 |
-0.070 |
0.005 |
0.022 |
0.012 |
Twist |
0.053 |
-0.083 |
-0.220 |
0.008 |
0.012 |
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 |
1.765 |
0.316 |
0.267 |
-0.065 |
0.037 |
0.046 |
Slide |
0.316 |
2.579 |
1.875 |
-0.012 |
-0.066 |
-0.098 |
Rise |
0.267 |
1.875 |
8.299 |
-0.213 |
-0.074 |
-0.220 |
Tilt |
-0.065 |
-0.012 |
-0.213 |
0.047 |
0.003 |
0.008 |
Roll |
0.037 |
-0.066 |
-0.074 |
0.003 |
0.026 |
0.008 |
Twist |
0.046 |
-0.098 |
-0.220 |
0.008 |
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 |
2.111 |
0.072 |
0.047 |
-0.013 |
0.011 |
-0.005 |
Slide |
0.072 |
5.237 |
2.934 |
0.005 |
-0.046 |
-0.084 |
Rise |
0.047 |
2.934 |
11.198 |
0.002 |
0.070 |
-0.152 |
Tilt |
-0.013 |
0.005 |
0.002 |
0.046 |
0.001 |
-0.000 |
Roll |
0.011 |
-0.046 |
0.070 |
0.001 |
0.032 |
0.010 |
Twist |
-0.005 |
-0.084 |
-0.152 |
-0.000 |
0.010 |
0.043 |
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 |
-0.091 |
-0.110 |
-0.114 |
0.006 |
-0.000 |
Slide |
-0.091 |
3.226 |
0.377 |
0.011 |
-0.000 |
-0.147 |
Rise |
-0.110 |
0.377 |
8.603 |
0.003 |
-0.122 |
-0.257 |
Tilt |
-0.114 |
0.011 |
0.003 |
0.031 |
-0.001 |
-0.000 |
Roll |
0.006 |
-0.000 |
-0.122 |
-0.001 |
0.019 |
0.009 |
Twist |
-0.000 |
-0.147 |
-0.257 |
-0.000 |
0.009 |
0.027 |
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 |
1.232 |
-0.076 |
-0.003 |
-0.153 |
-0.010 |
-0.005 |
Slide |
-0.076 |
2.812 |
1.032 |
-0.005 |
0.019 |
-0.093 |
Rise |
-0.003 |
1.032 |
8.089 |
0.018 |
-0.056 |
-0.198 |
Tilt |
-0.153 |
-0.005 |
0.018 |
0.035 |
0.001 |
0.001 |
Roll |
-0.010 |
0.019 |
-0.056 |
0.001 |
0.016 |
0.005 |
Twist |
-0.005 |
-0.093 |
-0.198 |
0.001 |
0.005 |
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 |
0.986 |
-0.143 |
0.105 |
-0.117 |
0.008 |
0.004 |
Slide |
-0.143 |
3.132 |
0.367 |
-0.017 |
0.029 |
-0.127 |
Rise |
0.105 |
0.367 |
9.038 |
-0.019 |
-0.067 |
-0.233 |
Tilt |
-0.117 |
-0.017 |
-0.019 |
0.032 |
-0.002 |
-0.001 |
Roll |
0.008 |
0.029 |
-0.067 |
-0.002 |
0.018 |
0.005 |
Twist |
0.004 |
-0.127 |
-0.233 |
-0.001 |
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 |
1.646 |
-0.749 |
-0.500 |
-0.060 |
-0.033 |
-0.073 |
Slide |
-0.749 |
2.766 |
1.458 |
-0.003 |
-0.010 |
-0.069 |
Rise |
-0.500 |
1.458 |
9.074 |
0.211 |
-0.025 |
-0.207 |
Tilt |
-0.060 |
-0.003 |
0.211 |
0.048 |
-0.003 |
-0.011 |
Roll |
-0.033 |
-0.010 |
-0.025 |
-0.003 |
0.020 |
0.008 |
Twist |
-0.073 |
-0.069 |
-0.207 |
-0.011 |
0.008 |
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 |
1.118 |
0.433 |
0.851 |
-0.114 |
0.024 |
0.004 |
Slide |
0.433 |
2.851 |
1.197 |
0.018 |
-0.030 |
-0.138 |
Rise |
0.851 |
1.197 |
11.235 |
-0.348 |
-0.014 |
-0.190 |
Tilt |
-0.114 |
0.018 |
-0.348 |
0.046 |
-0.004 |
-0.000 |
Roll |
0.024 |
-0.030 |
-0.014 |
-0.004 |
0.024 |
0.012 |
Twist |
0.004 |
-0.138 |
-0.190 |
-0.000 |
0.012 |
0.034 |
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 |
1.402 |
0.564 |
1.201 |
-0.136 |
0.025 |
-0.008 |
Slide |
0.564 |
2.326 |
1.204 |
-0.013 |
-0.007 |
-0.114 |
Rise |
1.201 |
1.204 |
10.579 |
-0.349 |
0.005 |
-0.186 |
Tilt |
-0.136 |
-0.013 |
-0.349 |
0.051 |
-0.006 |
0.001 |
Roll |
0.025 |
-0.007 |
0.005 |
-0.006 |
0.022 |
0.009 |
Twist |
-0.008 |
-0.114 |
-0.186 |
0.001 |
0.009 |
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 |
1.509 |
0.777 |
0.960 |
-0.123 |
0.021 |
-0.037 |
Slide |
0.777 |
2.719 |
1.919 |
-0.011 |
-0.010 |
-0.145 |
Rise |
0.960 |
1.919 |
10.412 |
-0.307 |
-0.013 |
-0.171 |
Tilt |
-0.123 |
-0.011 |
-0.307 |
0.047 |
-0.004 |
0.001 |
Roll |
0.021 |
-0.010 |
-0.013 |
-0.004 |
0.023 |
0.009 |
Twist |
-0.037 |
-0.145 |
-0.171 |
0.001 |
0.009 |
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 |
1.363 |
-0.057 |
-0.077 |
-0.145 |
0.032 |
0.019 |
Slide |
-0.057 |
3.070 |
2.708 |
-0.015 |
0.042 |
-0.068 |
Rise |
-0.077 |
2.708 |
11.817 |
-0.004 |
0.122 |
-0.229 |
Tilt |
-0.145 |
-0.015 |
-0.004 |
0.043 |
-0.002 |
-0.002 |
Roll |
0.032 |
0.042 |
0.122 |
-0.002 |
0.026 |
0.007 |
Twist |
0.019 |
-0.068 |
-0.229 |
-0.002 |
0.007 |
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 |
1.202 |
0.126 |
0.847 |
-0.165 |
0.051 |
0.044 |
Slide |
0.126 |
1.947 |
1.528 |
0.005 |
-0.007 |
-0.101 |
Rise |
0.847 |
1.528 |
11.096 |
-0.356 |
-0.030 |
-0.219 |
Tilt |
-0.165 |
0.005 |
-0.356 |
0.056 |
-0.003 |
0.001 |
Roll |
0.051 |
-0.007 |
-0.030 |
-0.003 |
0.022 |
0.010 |
Twist |
0.044 |
-0.101 |
-0.219 |
0.001 |
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 |
0.488 |
0.147 |
-0.257 |
-0.055 |
0.001 |
0.000 |
Slide |
0.147 |
2.961 |
0.574 |
0.016 |
0.031 |
-0.153 |
Rise |
-0.257 |
0.574 |
8.594 |
0.028 |
-0.108 |
-0.238 |
Tilt |
-0.055 |
0.016 |
0.028 |
0.027 |
0.001 |
0.002 |
Roll |
0.001 |
0.031 |
-0.108 |
0.001 |
0.018 |
0.013 |
Twist |
0.000 |
-0.153 |
-0.238 |
0.002 |
0.013 |
0.034 |
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 |
-0.744 |
-0.505 |
-0.082 |
-0.005 |
0.036 |
Slide |
-0.744 |
2.467 |
1.298 |
-0.031 |
-0.038 |
-0.129 |
Rise |
-0.505 |
1.298 |
10.979 |
0.330 |
-0.008 |
-0.153 |
Tilt |
-0.082 |
-0.031 |
0.330 |
0.047 |
0.004 |
0.001 |
Roll |
-0.005 |
-0.038 |
-0.008 |
0.004 |
0.022 |
0.009 |
Twist |
0.036 |
-0.129 |
-0.153 |
0.001 |
0.009 |
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)