| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.738 |
0.675 |
0.530 |
-0.032 |
0.004 |
0.054 |
Slide |
0.675 |
2.872 |
1.400 |
-0.010 |
-0.077 |
-0.145 |
Rise |
0.530 |
1.400 |
8.958 |
-0.254 |
-0.019 |
-0.202 |
Tilt |
-0.032 |
-0.010 |
-0.254 |
0.047 |
0.001 |
0.008 |
Roll |
0.004 |
-0.077 |
-0.019 |
0.001 |
0.022 |
0.007 |
Twist |
0.054 |
-0.145 |
-0.202 |
0.008 |
0.007 |
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 |
2.011 |
0.382 |
0.600 |
-0.039 |
0.020 |
0.048 |
Slide |
0.382 |
2.927 |
1.090 |
0.018 |
-0.067 |
-0.149 |
Rise |
0.600 |
1.090 |
9.087 |
-0.217 |
-0.075 |
-0.176 |
Tilt |
-0.039 |
0.018 |
-0.217 |
0.041 |
0.001 |
0.004 |
Roll |
0.020 |
-0.067 |
-0.075 |
0.001 |
0.023 |
0.011 |
Twist |
0.048 |
-0.149 |
-0.176 |
0.004 |
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 |
1.234 |
-0.542 |
0.378 |
-0.035 |
0.041 |
0.062 |
Slide |
-0.542 |
3.946 |
2.874 |
-0.015 |
0.029 |
-0.145 |
Rise |
0.378 |
2.874 |
11.029 |
0.036 |
0.117 |
-0.209 |
Tilt |
-0.035 |
-0.015 |
0.036 |
0.045 |
0.005 |
0.005 |
Roll |
0.041 |
0.029 |
0.117 |
0.005 |
0.022 |
0.005 |
Twist |
0.062 |
-0.145 |
-0.209 |
0.005 |
0.005 |
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 |
1.443 |
0.159 |
0.324 |
-0.041 |
0.014 |
0.059 |
Slide |
0.159 |
3.224 |
2.613 |
-0.011 |
0.007 |
-0.064 |
Rise |
0.324 |
2.613 |
10.564 |
0.035 |
0.109 |
-0.128 |
Tilt |
-0.041 |
-0.011 |
0.035 |
0.044 |
0.006 |
0.004 |
Roll |
0.014 |
0.007 |
0.109 |
0.006 |
0.026 |
0.008 |
Twist |
0.059 |
-0.064 |
-0.128 |
0.004 |
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 |
0.811 |
0.038 |
0.453 |
-0.045 |
0.011 |
0.019 |
Slide |
0.038 |
3.628 |
2.923 |
-0.035 |
0.039 |
-0.091 |
Rise |
0.453 |
2.923 |
11.047 |
0.023 |
0.116 |
-0.178 |
Tilt |
-0.045 |
-0.035 |
0.023 |
0.043 |
0.005 |
0.008 |
Roll |
0.011 |
0.039 |
0.116 |
0.005 |
0.021 |
0.006 |
Twist |
0.019 |
-0.091 |
-0.178 |
0.008 |
0.006 |
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 |
0.838 |
0.045 |
0.005 |
-0.073 |
0.016 |
-0.030 |
Slide |
0.045 |
2.132 |
1.185 |
-0.015 |
0.017 |
-0.095 |
Rise |
0.005 |
1.185 |
6.849 |
0.010 |
-0.088 |
-0.224 |
Tilt |
-0.073 |
-0.015 |
0.010 |
0.027 |
-0.001 |
0.002 |
Roll |
0.016 |
0.017 |
-0.088 |
-0.001 |
0.017 |
0.008 |
Twist |
-0.030 |
-0.095 |
-0.224 |
0.002 |
0.008 |
0.025 |
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 |
0.843 |
0.129 |
0.317 |
-0.077 |
0.004 |
-0.020 |
Slide |
0.129 |
2.659 |
0.668 |
-0.011 |
0.018 |
-0.097 |
Rise |
0.317 |
0.668 |
7.687 |
0.012 |
-0.092 |
-0.205 |
Tilt |
-0.077 |
-0.011 |
0.012 |
0.030 |
-0.002 |
0.001 |
Roll |
0.004 |
0.018 |
-0.092 |
-0.002 |
0.018 |
0.009 |
Twist |
-0.020 |
-0.097 |
-0.205 |
0.001 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.951 |
-0.179 |
0.318 |
-0.072 |
0.001 |
-0.023 |
Slide |
-0.179 |
2.054 |
1.282 |
-0.002 |
0.009 |
-0.092 |
Rise |
0.318 |
1.282 |
6.578 |
-0.033 |
-0.082 |
-0.214 |
Tilt |
-0.072 |
-0.002 |
-0.033 |
0.026 |
-0.001 |
0.002 |
Roll |
0.001 |
0.009 |
-0.082 |
-0.001 |
0.016 |
0.008 |
Twist |
-0.023 |
-0.092 |
-0.214 |
0.002 |
0.008 |
0.023 |
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 |
1.636 |
-0.775 |
-0.501 |
-0.062 |
-0.041 |
-0.063 |
Slide |
-0.775 |
2.669 |
1.963 |
0.026 |
-0.008 |
-0.123 |
Rise |
-0.501 |
1.963 |
9.300 |
0.245 |
0.016 |
-0.238 |
Tilt |
-0.062 |
0.026 |
0.245 |
0.049 |
-0.000 |
-0.012 |
Roll |
-0.041 |
-0.008 |
0.016 |
-0.000 |
0.022 |
0.007 |
Twist |
-0.063 |
-0.123 |
-0.238 |
-0.012 |
0.007 |
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 |
1.091 |
-0.002 |
0.157 |
-0.124 |
0.008 |
0.027 |
Slide |
-0.002 |
3.531 |
2.436 |
0.002 |
0.077 |
-0.117 |
Rise |
0.157 |
2.436 |
10.964 |
-0.004 |
0.143 |
-0.220 |
Tilt |
-0.124 |
0.002 |
-0.004 |
0.044 |
0.000 |
-0.000 |
Roll |
0.008 |
0.077 |
0.143 |
0.000 |
0.023 |
0.004 |
Twist |
0.027 |
-0.117 |
-0.220 |
-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 |
0.814 |
0.252 |
-0.474 |
-0.058 |
0.002 |
0.018 |
Slide |
0.252 |
2.846 |
0.324 |
0.024 |
0.019 |
-0.117 |
Rise |
-0.474 |
0.324 |
8.856 |
0.017 |
-0.113 |
-0.228 |
Tilt |
-0.058 |
0.024 |
0.017 |
0.029 |
0.002 |
-0.000 |
Roll |
0.002 |
0.019 |
-0.113 |
0.002 |
0.020 |
0.011 |
Twist |
0.018 |
-0.117 |
-0.228 |
-0.000 |
0.011 |
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)