| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.407 |
-0.497 |
0.201 |
-0.035 |
0.031 |
0.006 |
Slide |
-0.497 |
4.235 |
2.941 |
-0.044 |
0.029 |
-0.065 |
Rise |
0.201 |
2.941 |
10.946 |
0.028 |
0.105 |
-0.216 |
Tilt |
-0.035 |
-0.044 |
0.028 |
0.043 |
0.006 |
0.005 |
Roll |
0.031 |
0.029 |
0.106 |
0.006 |
0.026 |
0.012 |
Twist |
0.006 |
-0.065 |
-0.216 |
0.005 |
0.012 |
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 |
1.870 |
0.676 |
0.269 |
-0.071 |
-0.006 |
0.019 |
Slide |
0.676 |
3.997 |
3.156 |
-0.013 |
-0.008 |
-0.130 |
Rise |
0.269 |
3.156 |
10.702 |
0.075 |
0.069 |
-0.180 |
Tilt |
-0.071 |
-0.013 |
0.075 |
0.046 |
0.007 |
0.005 |
Roll |
-0.006 |
-0.008 |
0.069 |
0.007 |
0.028 |
0.010 |
Twist |
0.019 |
-0.130 |
-0.180 |
0.005 |
0.010 |
0.048 |
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 |
0.797 |
-0.228 |
0.218 |
-0.019 |
-0.002 |
0.010 |
Slide |
-0.228 |
4.528 |
3.068 |
-0.004 |
0.035 |
-0.129 |
Rise |
0.218 |
3.068 |
11.657 |
0.056 |
0.120 |
-0.214 |
Tilt |
-0.019 |
-0.004 |
0.056 |
0.039 |
0.005 |
0.005 |
Roll |
-0.002 |
0.035 |
0.120 |
0.005 |
0.023 |
0.009 |
Twist |
0.010 |
-0.129 |
-0.214 |
0.005 |
0.009 |
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 |
2.117 |
0.366 |
0.003 |
-0.018 |
-0.005 |
-0.023 |
Slide |
0.366 |
5.170 |
2.883 |
0.011 |
-0.065 |
-0.143 |
Rise |
0.003 |
2.883 |
10.693 |
0.001 |
0.030 |
-0.145 |
Tilt |
-0.018 |
0.011 |
0.001 |
0.048 |
0.001 |
-0.001 |
Roll |
-0.005 |
-0.065 |
0.030 |
0.001 |
0.034 |
0.014 |
Twist |
-0.023 |
-0.143 |
-0.145 |
-0.001 |
0.014 |
0.055 |
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 |
1.000 |
0.314 |
0.105 |
-0.093 |
-0.006 |
-0.032 |
Slide |
0.314 |
2.758 |
1.107 |
-0.006 |
0.032 |
-0.110 |
Rise |
0.105 |
1.107 |
7.338 |
0.025 |
-0.064 |
-0.211 |
Tilt |
-0.093 |
-0.006 |
0.025 |
0.031 |
-0.001 |
0.002 |
Roll |
-0.006 |
0.032 |
-0.064 |
-0.001 |
0.015 |
0.006 |
Twist |
-0.032 |
-0.110 |
-0.211 |
0.002 |
0.006 |
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 |
1.103 |
0.370 |
0.204 |
-0.092 |
-0.027 |
-0.064 |
Slide |
0.370 |
2.513 |
1.327 |
0.003 |
0.026 |
-0.109 |
Rise |
0.204 |
1.327 |
6.712 |
0.026 |
-0.063 |
-0.181 |
Tilt |
-0.092 |
0.003 |
0.026 |
0.031 |
-0.001 |
0.001 |
Roll |
-0.027 |
0.026 |
-0.063 |
-0.001 |
0.017 |
0.005 |
Twist |
-0.064 |
-0.109 |
-0.181 |
0.001 |
0.005 |
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 |
1.329 |
0.011 |
-0.040 |
-0.152 |
-0.003 |
-0.021 |
Slide |
0.011 |
2.534 |
1.103 |
0.025 |
0.023 |
-0.083 |
Rise |
-0.040 |
1.103 |
7.018 |
0.036 |
-0.045 |
-0.187 |
Tilt |
-0.152 |
0.025 |
0.036 |
0.034 |
-0.000 |
0.000 |
Roll |
-0.003 |
0.023 |
-0.045 |
-0.000 |
0.015 |
0.003 |
Twist |
-0.021 |
-0.083 |
-0.187 |
0.000 |
0.003 |
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 |
1.957 |
-0.841 |
-0.433 |
-0.067 |
-0.053 |
-0.093 |
Slide |
-0.841 |
2.989 |
1.808 |
0.009 |
-0.007 |
-0.069 |
Rise |
-0.433 |
1.808 |
8.925 |
0.208 |
-0.050 |
-0.200 |
Tilt |
-0.067 |
0.009 |
0.208 |
0.048 |
-0.003 |
-0.006 |
Roll |
-0.053 |
-0.007 |
-0.050 |
-0.003 |
0.020 |
0.007 |
Twist |
-0.093 |
-0.069 |
-0.200 |
-0.006 |
0.007 |
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 |
1.724 |
0.828 |
0.844 |
-0.104 |
0.016 |
-0.051 |
Slide |
0.828 |
2.528 |
1.267 |
0.034 |
-0.022 |
-0.133 |
Rise |
0.844 |
1.267 |
10.302 |
-0.248 |
-0.009 |
-0.172 |
Tilt |
-0.104 |
0.034 |
-0.248 |
0.043 |
-0.003 |
0.000 |
Roll |
0.016 |
-0.022 |
-0.009 |
-0.003 |
0.022 |
0.009 |
Twist |
-0.051 |
-0.133 |
-0.172 |
0.000 |
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 |
1.085 |
0.142 |
0.651 |
-0.137 |
0.045 |
0.034 |
Slide |
0.142 |
2.166 |
1.476 |
0.004 |
-0.006 |
-0.110 |
Rise |
0.652 |
1.476 |
11.279 |
-0.354 |
-0.001 |
-0.206 |
Tilt |
-0.137 |
0.004 |
-0.354 |
0.054 |
-0.004 |
0.002 |
Roll |
0.045 |
-0.006 |
-0.001 |
-0.004 |
0.020 |
0.008 |
Twist |
0.034 |
-0.110 |
-0.206 |
0.002 |
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 |
1.267 |
0.238 |
0.632 |
-0.139 |
0.037 |
0.037 |
Slide |
0.238 |
1.624 |
1.968 |
-0.031 |
0.010 |
-0.081 |
Rise |
0.632 |
1.968 |
9.938 |
-0.284 |
0.002 |
-0.202 |
Tilt |
-0.139 |
-0.031 |
-0.284 |
0.048 |
-0.004 |
0.000 |
Roll |
0.037 |
0.010 |
0.002 |
-0.004 |
0.022 |
0.007 |
Twist |
0.037 |
-0.081 |
-0.202 |
0.000 |
0.007 |
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 |
1.245 |
-0.093 |
0.831 |
-0.161 |
0.035 |
0.027 |
Slide |
-0.093 |
1.727 |
1.988 |
-0.026 |
0.006 |
-0.094 |
Rise |
0.831 |
1.988 |
10.044 |
-0.328 |
-0.024 |
-0.219 |
Tilt |
-0.161 |
-0.026 |
-0.328 |
0.053 |
-0.001 |
0.002 |
Roll |
0.035 |
0.006 |
-0.024 |
-0.001 |
0.018 |
0.007 |
Twist |
0.027 |
-0.094 |
-0.219 |
0.002 |
0.007 |
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 |
0.590 |
0.282 |
-0.401 |
-0.038 |
0.007 |
0.007 |
Slide |
0.282 |
3.156 |
0.551 |
0.012 |
0.022 |
-0.174 |
Rise |
-0.401 |
0.551 |
8.923 |
0.066 |
-0.095 |
-0.217 |
Tilt |
-0.038 |
0.012 |
0.066 |
0.026 |
-0.001 |
0.001 |
Roll |
0.007 |
0.022 |
-0.095 |
-0.001 |
0.018 |
0.012 |
Twist |
0.007 |
-0.174 |
-0.217 |
0.001 |
0.012 |
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 |
0.777 |
0.095 |
-0.450 |
-0.066 |
0.012 |
0.021 |
Slide |
0.095 |
2.959 |
0.464 |
-0.012 |
0.016 |
-0.125 |
Rise |
-0.450 |
0.464 |
8.541 |
0.006 |
-0.123 |
-0.221 |
Tilt |
-0.066 |
-0.012 |
0.006 |
0.031 |
0.001 |
-0.000 |
Roll |
0.012 |
0.016 |
-0.123 |
0.001 |
0.022 |
0.012 |
Twist |
0.021 |
-0.125 |
-0.221 |
-0.000 |
0.012 |
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 |
1.955 |
-1.169 |
-0.766 |
-0.034 |
0.004 |
-0.011 |
Slide |
-1.169 |
3.607 |
1.391 |
0.002 |
-0.052 |
-0.150 |
Rise |
-0.766 |
1.391 |
10.764 |
0.271 |
-0.006 |
-0.157 |
Tilt |
-0.034 |
0.002 |
0.271 |
0.048 |
-0.001 |
-0.006 |
Roll |
0.004 |
-0.052 |
-0.006 |
-0.001 |
0.022 |
0.009 |
Twist |
-0.011 |
-0.150 |
-0.157 |
-0.006 |
0.009 |
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)