| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.259 |
0.508 |
0.323 |
-0.016 |
-0.002 |
0.067 |
Slide |
0.508 |
2.859 |
1.241 |
-0.004 |
-0.088 |
-0.132 |
Rise |
0.323 |
1.241 |
11.011 |
-0.292 |
-0.046 |
-0.217 |
Tilt |
-0.016 |
-0.004 |
-0.292 |
0.047 |
0.002 |
0.009 |
Roll |
-0.002 |
-0.088 |
-0.046 |
0.002 |
0.022 |
0.010 |
Twist |
0.067 |
-0.132 |
-0.217 |
0.009 |
0.010 |
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 |
1.974 |
0.152 |
0.679 |
-0.043 |
0.004 |
0.087 |
Slide |
0.152 |
2.926 |
1.127 |
0.012 |
-0.054 |
-0.152 |
Rise |
0.679 |
1.127 |
9.908 |
-0.269 |
-0.041 |
-0.215 |
Tilt |
-0.043 |
0.012 |
-0.269 |
0.046 |
-0.000 |
0.008 |
Roll |
0.004 |
-0.054 |
-0.041 |
-0.000 |
0.022 |
0.009 |
Twist |
0.087 |
-0.152 |
-0.215 |
0.008 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.593 |
0.914 |
1.096 |
-0.061 |
0.025 |
0.049 |
Slide |
0.914 |
4.034 |
1.254 |
0.016 |
-0.027 |
-0.268 |
Rise |
1.096 |
1.254 |
9.718 |
-0.268 |
-0.040 |
-0.164 |
Tilt |
-0.061 |
0.016 |
-0.268 |
0.049 |
-0.001 |
0.006 |
Roll |
0.025 |
-0.027 |
-0.040 |
-0.001 |
0.025 |
0.005 |
Twist |
0.049 |
-0.268 |
-0.164 |
0.006 |
0.005 |
0.059 |
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 |
0.872 |
-0.264 |
0.264 |
-0.072 |
0.064 |
0.052 |
Slide |
-0.264 |
3.002 |
1.499 |
-0.005 |
-0.026 |
-0.159 |
Rise |
0.264 |
1.499 |
10.994 |
-0.345 |
-0.049 |
-0.200 |
Tilt |
-0.072 |
-0.005 |
-0.345 |
0.055 |
0.003 |
0.005 |
Roll |
0.064 |
-0.026 |
-0.049 |
0.003 |
0.018 |
0.011 |
Twist |
0.052 |
-0.159 |
-0.200 |
0.005 |
0.011 |
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 |
2.745 |
-0.036 |
0.043 |
-0.002 |
0.004 |
-0.011 |
Slide |
-0.036 |
5.848 |
2.553 |
0.027 |
-0.030 |
-0.236 |
Rise |
0.043 |
2.553 |
11.153 |
-0.010 |
0.063 |
-0.140 |
Tilt |
-0.002 |
0.027 |
-0.010 |
0.046 |
0.001 |
0.000 |
Roll |
0.004 |
-0.030 |
0.063 |
0.001 |
0.038 |
0.006 |
Twist |
-0.011 |
-0.236 |
-0.140 |
0.000 |
0.006 |
0.077 |
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 |
2.769 |
0.152 |
0.090 |
-0.022 |
0.020 |
-0.034 |
Slide |
0.152 |
6.064 |
2.574 |
0.014 |
-0.044 |
-0.168 |
Rise |
0.090 |
2.574 |
11.401 |
-0.034 |
0.054 |
-0.138 |
Tilt |
-0.022 |
0.014 |
-0.034 |
0.047 |
-0.001 |
-0.001 |
Roll |
0.020 |
-0.044 |
0.054 |
-0.001 |
0.037 |
0.011 |
Twist |
-0.034 |
-0.168 |
-0.138 |
-0.001 |
0.011 |
0.064 |
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 |
-0.056 |
-0.004 |
-0.167 |
-0.001 |
0.015 |
Slide |
-0.056 |
3.146 |
1.098 |
-0.003 |
0.033 |
-0.106 |
Rise |
-0.004 |
1.098 |
7.351 |
-0.005 |
-0.055 |
-0.184 |
Tilt |
-0.167 |
-0.003 |
-0.005 |
0.037 |
0.000 |
-0.002 |
Roll |
-0.001 |
0.033 |
-0.055 |
0.000 |
0.015 |
0.002 |
Twist |
0.015 |
-0.106 |
-0.184 |
-0.002 |
0.002 |
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 |
2.111 |
1.153 |
1.214 |
-0.127 |
0.015 |
-0.099 |
Slide |
1.153 |
2.753 |
0.952 |
0.030 |
0.010 |
-0.148 |
Rise |
1.214 |
0.952 |
10.480 |
-0.356 |
0.026 |
-0.089 |
Tilt |
-0.127 |
0.030 |
-0.356 |
0.054 |
-0.006 |
-0.001 |
Roll |
0.015 |
0.010 |
0.026 |
-0.006 |
0.023 |
0.006 |
Twist |
-0.099 |
-0.148 |
-0.089 |
-0.001 |
0.006 |
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 |
1.570 |
0.954 |
-0.132 |
-0.055 |
-0.031 |
-0.050 |
Slide |
0.954 |
4.367 |
2.854 |
0.067 |
0.027 |
-0.108 |
Rise |
-0.132 |
2.854 |
11.227 |
-0.026 |
0.090 |
-0.195 |
Tilt |
-0.055 |
0.067 |
-0.026 |
0.048 |
-0.006 |
-0.007 |
Roll |
-0.031 |
0.027 |
0.090 |
-0.006 |
0.028 |
0.011 |
Twist |
-0.050 |
-0.108 |
-0.195 |
-0.007 |
0.011 |
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 |
0.466 |
0.060 |
-0.073 |
-0.046 |
0.007 |
0.010 |
Slide |
0.060 |
2.798 |
0.791 |
-0.003 |
0.004 |
-0.175 |
Rise |
-0.073 |
0.791 |
8.510 |
-0.004 |
-0.136 |
-0.221 |
Tilt |
-0.046 |
-0.003 |
-0.004 |
0.027 |
-0.000 |
0.002 |
Roll |
0.007 |
0.004 |
-0.136 |
-0.000 |
0.019 |
0.015 |
Twist |
0.010 |
-0.175 |
-0.221 |
0.002 |
0.015 |
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 |
0.805 |
0.216 |
-0.021 |
-0.045 |
-0.016 |
0.019 |
Slide |
0.216 |
4.272 |
0.361 |
-0.016 |
0.017 |
-0.242 |
Rise |
-0.021 |
0.361 |
9.797 |
0.048 |
-0.092 |
-0.222 |
Tilt |
-0.045 |
-0.016 |
0.048 |
0.032 |
-0.000 |
0.003 |
Roll |
-0.016 |
0.017 |
-0.092 |
-0.000 |
0.017 |
0.013 |
Twist |
0.019 |
-0.242 |
-0.222 |
0.003 |
0.013 |
0.044 |
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 |
0.978 |
0.282 |
-0.330 |
-0.067 |
0.001 |
0.022 |
Slide |
0.282 |
2.738 |
0.820 |
0.005 |
0.014 |
-0.116 |
Rise |
-0.330 |
0.820 |
7.451 |
0.011 |
-0.090 |
-0.192 |
Tilt |
-0.067 |
0.005 |
0.011 |
0.030 |
0.001 |
0.000 |
Roll |
0.001 |
0.014 |
-0.090 |
0.001 |
0.019 |
0.009 |
Twist |
0.022 |
-0.116 |
-0.192 |
0.000 |
0.009 |
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 |
1.946 |
-1.211 |
-0.307 |
-0.019 |
-0.015 |
-0.033 |
Slide |
-1.211 |
3.788 |
1.391 |
-0.000 |
-0.044 |
-0.150 |
Rise |
-0.307 |
1.391 |
10.615 |
0.257 |
-0.030 |
-0.180 |
Tilt |
-0.019 |
-0.000 |
0.257 |
0.050 |
-0.001 |
-0.007 |
Roll |
-0.015 |
-0.044 |
-0.030 |
-0.001 |
0.023 |
0.005 |
Twist |
-0.033 |
-0.150 |
-0.180 |
-0.007 |
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 |
2.508 |
-1.295 |
-0.683 |
-0.049 |
0.020 |
-0.011 |
Slide |
-1.295 |
4.539 |
1.038 |
-0.011 |
-0.032 |
-0.165 |
Rise |
-0.684 |
1.038 |
11.607 |
0.255 |
-0.016 |
-0.187 |
Tilt |
-0.049 |
-0.011 |
0.255 |
0.052 |
0.001 |
-0.005 |
Roll |
0.020 |
-0.032 |
-0.016 |
0.001 |
0.019 |
0.007 |
Twist |
-0.011 |
-0.165 |
-0.187 |
-0.005 |
0.007 |
0.059 |
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 |
2.027 |
-1.395 |
-0.400 |
-0.009 |
0.021 |
0.001 |
Slide |
-1.395 |
4.084 |
1.234 |
-0.039 |
-0.059 |
-0.137 |
Rise |
-0.400 |
1.234 |
10.923 |
0.239 |
0.003 |
-0.171 |
Tilt |
-0.009 |
-0.039 |
0.239 |
0.050 |
-0.000 |
-0.005 |
Roll |
0.021 |
-0.059 |
0.003 |
-0.000 |
0.021 |
0.006 |
Twist |
0.001 |
-0.137 |
-0.171 |
-0.005 |
0.006 |
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)