| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.483 |
0.000 |
0.000 |
-0.016 |
0.000 |
0.000 |
Slide |
0.000 |
2.595 |
1.507 |
0.000 |
-0.086 |
-0.121 |
Rise |
0.000 |
1.506 |
7.143 |
0.000 |
-0.071 |
-0.164 |
Tilt |
-0.016 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.086 |
-0.071 |
0.000 |
0.025 |
0.010 |
Twist |
0.000 |
-0.121 |
-0.164 |
0.000 |
0.010 |
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 |
1.477 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
2.861 |
1.403 |
0.000 |
-0.064 |
-0.183 |
Rise |
0.000 |
1.403 |
6.919 |
0.000 |
-0.060 |
-0.170 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.064 |
-0.060 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.183 |
-0.170 |
0.000 |
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 |
1.917 |
0.000 |
0.000 |
-0.054 |
0.000 |
0.000 |
Slide |
0.000 |
3.059 |
1.478 |
0.000 |
-0.069 |
-0.193 |
Rise |
0.000 |
1.478 |
7.329 |
0.000 |
-0.067 |
-0.166 |
Tilt |
-0.054 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.069 |
-0.067 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.193 |
-0.166 |
0.000 |
0.008 |
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 |
1.998 |
0.000 |
0.000 |
-0.058 |
0.000 |
0.000 |
Slide |
0.000 |
3.305 |
1.376 |
0.000 |
-0.039 |
-0.199 |
Rise |
0.000 |
1.376 |
7.414 |
0.000 |
-0.029 |
-0.141 |
Tilt |
-0.058 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.029 |
0.000 |
0.024 |
0.003 |
Twist |
0.000 |
-0.199 |
-0.141 |
0.000 |
0.003 |
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 |
2.087 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
3.542 |
1.317 |
0.000 |
-0.029 |
-0.271 |
Rise |
0.000 |
1.317 |
7.551 |
0.000 |
-0.041 |
-0.136 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.029 |
-0.041 |
0.000 |
0.024 |
0.003 |
Twist |
0.000 |
-0.271 |
-0.136 |
0.000 |
0.003 |
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 |
0.962 |
0.000 |
0.000 |
-0.060 |
0.000 |
0.000 |
Slide |
0.000 |
2.504 |
1.242 |
0.000 |
-0.066 |
-0.177 |
Rise |
0.000 |
1.242 |
7.822 |
0.000 |
-0.033 |
-0.169 |
Tilt |
-0.060 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.033 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.177 |
-0.169 |
0.000 |
0.010 |
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 |
1.450 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
2.881 |
1.649 |
0.000 |
-0.066 |
-0.170 |
Rise |
0.000 |
1.649 |
7.197 |
0.000 |
-0.053 |
-0.160 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.053 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.170 |
-0.160 |
0.000 |
0.008 |
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 |
1.931 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
3.119 |
1.425 |
0.000 |
-0.085 |
-0.195 |
Rise |
0.000 |
1.425 |
7.063 |
0.000 |
-0.063 |
-0.167 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.085 |
-0.063 |
0.000 |
0.026 |
0.009 |
Twist |
0.000 |
-0.195 |
-0.167 |
0.000 |
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 |
1.867 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
3.135 |
1.508 |
0.000 |
-0.063 |
-0.214 |
Rise |
0.000 |
1.508 |
7.220 |
0.000 |
-0.059 |
-0.157 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.059 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.214 |
-0.157 |
0.000 |
0.008 |
0.040 |
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 |
2.052 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
3.305 |
1.517 |
0.000 |
-0.063 |
-0.215 |
Rise |
0.000 |
1.517 |
7.657 |
0.000 |
-0.039 |
-0.158 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.039 |
0.000 |
0.026 |
0.009 |
Twist |
0.000 |
-0.215 |
-0.158 |
0.000 |
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 |
1.973 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
3.953 |
1.527 |
0.000 |
-0.037 |
-0.312 |
Rise |
0.000 |
1.527 |
8.051 |
0.000 |
-0.043 |
-0.146 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.043 |
0.000 |
0.025 |
0.005 |
Twist |
0.000 |
-0.312 |
-0.146 |
0.000 |
0.005 |
0.057 |
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 |
0.795 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.798 |
1.913 |
0.000 |
-0.059 |
-0.162 |
Rise |
0.000 |
1.913 |
8.503 |
0.000 |
-0.019 |
-0.187 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
-0.019 |
0.000 |
0.020 |
0.001 |
Twist |
0.000 |
-0.162 |
-0.187 |
0.000 |
0.001 |
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 |
0.796 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
Slide |
0.000 |
2.430 |
1.722 |
0.000 |
-0.056 |
-0.128 |
Rise |
0.000 |
1.722 |
8.838 |
0.000 |
-0.008 |
-0.194 |
Tilt |
-0.093 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
-0.008 |
0.000 |
0.020 |
0.006 |
Twist |
0.000 |
-0.128 |
-0.194 |
0.000 |
0.006 |
0.028 |
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 |
1.007 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
1.872 |
1.466 |
0.000 |
-0.062 |
-0.123 |
Rise |
0.000 |
1.466 |
6.995 |
0.000 |
-0.017 |
-0.163 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
-0.017 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.123 |
-0.163 |
0.000 |
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 |
1.568 |
0.000 |
0.000 |
0.010 |
0.000 |
0.000 |
Slide |
0.000 |
4.761 |
3.080 |
0.000 |
-0.024 |
-0.105 |
Rise |
0.000 |
3.080 |
12.042 |
0.000 |
0.115 |
-0.128 |
Tilt |
0.010 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
0.115 |
0.000 |
0.032 |
0.010 |
Twist |
0.000 |
-0.105 |
-0.128 |
0.000 |
0.010 |
0.047 |
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 |
1.748 |
0.000 |
0.000 |
-0.005 |
0.000 |
0.000 |
Slide |
0.000 |
4.836 |
3.472 |
0.000 |
-0.038 |
-0.197 |
Rise |
0.000 |
3.472 |
12.404 |
0.000 |
0.092 |
-0.166 |
Tilt |
-0.005 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
Roll |
0.000 |
-0.038 |
0.092 |
0.000 |
0.031 |
0.013 |
Twist |
0.000 |
-0.197 |
-0.166 |
0.000 |
0.013 |
0.061 |
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 |
1.307 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Slide |
0.000 |
4.798 |
2.965 |
0.000 |
-0.056 |
-0.070 |
Rise |
0.000 |
2.965 |
11.183 |
0.000 |
0.072 |
-0.131 |
Tilt |
0.001 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
0.072 |
0.000 |
0.027 |
0.009 |
Twist |
0.000 |
-0.070 |
-0.131 |
0.000 |
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 |
0.722 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.531 |
0.961 |
0.000 |
-0.001 |
-0.104 |
Rise |
0.000 |
0.961 |
8.073 |
0.000 |
-0.151 |
-0.255 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.151 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.104 |
-0.255 |
0.000 |
0.011 |
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 |
0.611 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
2.163 |
0.742 |
0.000 |
0.027 |
-0.078 |
Rise |
0.000 |
0.742 |
7.341 |
0.000 |
-0.058 |
-0.194 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
-0.058 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.078 |
-0.194 |
0.000 |
0.007 |
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 |
0.711 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.551 |
1.031 |
0.000 |
0.005 |
-0.112 |
Rise |
0.000 |
1.031 |
7.068 |
0.000 |
-0.075 |
-0.213 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.075 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.112 |
-0.213 |
0.000 |
0.008 |
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 |
1.045 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
Slide |
0.000 |
1.796 |
1.854 |
0.000 |
-0.015 |
-0.130 |
Rise |
0.000 |
1.854 |
8.486 |
0.000 |
-0.018 |
-0.175 |
Tilt |
-0.093 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
-0.018 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.130 |
-0.175 |
0.000 |
0.008 |
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 |
0.897 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
1.613 |
1.628 |
0.000 |
-0.018 |
-0.097 |
Rise |
0.000 |
1.628 |
8.930 |
0.000 |
-0.016 |
-0.212 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.018 |
-0.016 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.097 |
-0.212 |
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 |
1.387 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
1.462 |
1.622 |
0.000 |
-0.020 |
-0.090 |
Rise |
0.000 |
1.622 |
7.541 |
0.000 |
-0.017 |
-0.171 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
-0.017 |
0.000 |
0.020 |
0.005 |
Twist |
0.000 |
-0.090 |
-0.171 |
0.000 |
0.005 |
0.028 |
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 |
1.210 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
1.650 |
1.881 |
0.000 |
-0.006 |
-0.094 |
Rise |
0.000 |
1.881 |
7.618 |
0.000 |
-0.018 |
-0.170 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.018 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.094 |
-0.170 |
0.000 |
0.006 |
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 |
0.849 |
0.000 |
0.000 |
-0.120 |
0.000 |
0.000 |
Slide |
0.000 |
1.897 |
1.653 |
0.000 |
-0.034 |
-0.117 |
Rise |
0.000 |
1.653 |
8.588 |
0.000 |
-0.005 |
-0.187 |
Tilt |
-0.120 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
-0.005 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.117 |
-0.187 |
0.000 |
0.006 |
0.028 |
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 |
1.054 |
0.000 |
0.000 |
-0.132 |
0.000 |
0.000 |
Slide |
0.000 |
1.681 |
2.075 |
0.000 |
-0.033 |
-0.105 |
Rise |
0.000 |
2.075 |
9.093 |
0.000 |
-0.033 |
-0.211 |
Tilt |
-0.132 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.033 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.105 |
-0.211 |
0.000 |
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 |
1.056 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
3.103 |
0.333 |
0.000 |
-0.004 |
-0.136 |
Rise |
0.000 |
0.333 |
8.801 |
0.000 |
-0.122 |
-0.266 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.122 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.136 |
-0.266 |
0.000 |
0.009 |
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 |
1.091 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
2.735 |
0.391 |
0.000 |
0.026 |
-0.093 |
Rise |
0.000 |
0.391 |
8.313 |
0.000 |
-0.088 |
-0.270 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
-0.088 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.093 |
-0.270 |
0.000 |
0.006 |
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 |
1.099 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
2.421 |
0.821 |
0.000 |
0.021 |
-0.075 |
Rise |
0.000 |
0.821 |
8.030 |
0.000 |
-0.075 |
-0.241 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.075 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.075 |
-0.241 |
0.000 |
0.007 |
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 |
1.182 |
0.000 |
0.000 |
-0.127 |
0.000 |
0.000 |
Slide |
0.000 |
2.637 |
0.831 |
0.000 |
0.008 |
-0.096 |
Rise |
0.000 |
0.830 |
7.915 |
0.000 |
-0.077 |
-0.258 |
Tilt |
-0.127 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.077 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.096 |
-0.258 |
0.000 |
0.007 |
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 |
0.936 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
2.856 |
0.587 |
0.000 |
0.004 |
-0.138 |
Rise |
0.000 |
0.587 |
8.064 |
0.000 |
-0.082 |
-0.269 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.082 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.138 |
-0.269 |
0.000 |
0.007 |
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 |
1.035 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
2.799 |
0.562 |
0.000 |
0.008 |
-0.134 |
Rise |
0.000 |
0.562 |
8.693 |
0.000 |
-0.072 |
-0.265 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.072 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.134 |
-0.265 |
0.000 |
0.007 |
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 |
1.146 |
0.000 |
0.000 |
-0.134 |
0.000 |
0.000 |
Slide |
0.000 |
2.422 |
0.757 |
0.000 |
0.015 |
-0.085 |
Rise |
0.000 |
0.757 |
7.632 |
0.000 |
-0.080 |
-0.225 |
Tilt |
-0.134 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.080 |
0.000 |
0.015 |
0.006 |
Twist |
0.000 |
-0.085 |
-0.225 |
0.000 |
0.006 |
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 |
1.411 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
2.839 |
2.038 |
0.000 |
-0.090 |
-0.104 |
Rise |
0.000 |
2.038 |
7.919 |
0.000 |
-0.057 |
-0.180 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.090 |
-0.057 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.104 |
-0.180 |
0.000 |
0.006 |
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 |
0.721 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
2.383 |
1.445 |
0.000 |
-0.073 |
-0.154 |
Rise |
0.000 |
1.445 |
7.840 |
0.000 |
-0.047 |
-0.165 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.073 |
-0.047 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.154 |
-0.165 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.508 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
3.355 |
2.958 |
0.000 |
0.006 |
-0.123 |
Rise |
0.000 |
2.958 |
11.320 |
0.000 |
0.116 |
-0.204 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
0.116 |
0.000 |
0.030 |
0.008 |
Twist |
0.000 |
-0.123 |
-0.204 |
0.000 |
0.008 |
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 |
1.253 |
0.000 |
0.000 |
-0.136 |
0.000 |
0.000 |
Slide |
0.000 |
2.906 |
2.547 |
0.000 |
0.061 |
-0.056 |
Rise |
0.000 |
2.547 |
11.584 |
0.000 |
0.139 |
-0.212 |
Tilt |
-0.136 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.061 |
0.139 |
0.000 |
0.025 |
0.004 |
Twist |
0.000 |
-0.056 |
-0.212 |
0.000 |
0.004 |
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 |
1.436 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
2.719 |
2.684 |
0.000 |
0.047 |
-0.073 |
Rise |
0.000 |
2.684 |
11.505 |
0.000 |
0.139 |
-0.223 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.047 |
0.139 |
0.000 |
0.027 |
0.006 |
Twist |
0.000 |
-0.073 |
-0.223 |
0.000 |
0.006 |
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 |
0.976 |
0.000 |
0.000 |
-0.127 |
0.000 |
0.000 |
Slide |
0.000 |
3.737 |
2.185 |
0.000 |
0.062 |
-0.115 |
Rise |
0.000 |
2.185 |
10.776 |
0.000 |
0.131 |
-0.237 |
Tilt |
-0.127 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.062 |
0.131 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.115 |
-0.237 |
0.000 |
0.004 |
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 |
1.051 |
0.000 |
0.000 |
-0.135 |
0.000 |
0.000 |
Slide |
0.000 |
3.426 |
2.146 |
0.000 |
0.070 |
-0.114 |
Rise |
0.000 |
2.146 |
10.668 |
0.000 |
0.115 |
-0.253 |
Tilt |
-0.135 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.070 |
0.115 |
0.000 |
0.023 |
0.005 |
Twist |
0.000 |
-0.114 |
-0.253 |
0.000 |
0.005 |
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 |
1.533 |
0.000 |
0.000 |
-0.140 |
0.000 |
0.000 |
Slide |
0.000 |
2.415 |
2.228 |
0.000 |
0.051 |
-0.080 |
Rise |
0.000 |
2.228 |
10.953 |
0.000 |
0.126 |
-0.218 |
Tilt |
-0.140 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.051 |
0.126 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.080 |
-0.218 |
0.000 |
0.006 |
0.040 |
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 |
1.065 |
0.000 |
0.000 |
-0.101 |
0.000 |
0.000 |
Slide |
0.000 |
3.345 |
3.232 |
0.000 |
0.022 |
-0.113 |
Rise |
0.000 |
3.232 |
12.154 |
0.000 |
0.127 |
-0.227 |
Tilt |
-0.101 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.022 |
0.127 |
0.000 |
0.025 |
0.003 |
Twist |
0.000 |
-0.113 |
-0.227 |
0.000 |
0.003 |
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 |
1.340 |
0.000 |
0.000 |
-0.146 |
0.000 |
0.000 |
Slide |
0.000 |
2.765 |
2.884 |
0.000 |
0.028 |
-0.063 |
Rise |
0.000 |
2.884 |
11.220 |
0.000 |
0.110 |
-0.209 |
Tilt |
-0.146 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.028 |
0.110 |
0.000 |
0.028 |
0.008 |
Twist |
0.000 |
-0.063 |
-0.209 |
0.000 |
0.008 |
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 |
1.158 |
0.000 |
0.000 |
-0.134 |
0.000 |
0.000 |
Slide |
0.000 |
2.863 |
2.140 |
0.000 |
0.060 |
-0.086 |
Rise |
0.000 |
2.140 |
10.776 |
0.000 |
0.122 |
-0.240 |
Tilt |
-0.134 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.060 |
0.122 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.086 |
-0.240 |
0.000 |
0.007 |
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 |
1.198 |
0.000 |
0.000 |
-0.137 |
0.000 |
0.000 |
Slide |
0.000 |
2.730 |
2.558 |
0.000 |
0.039 |
-0.040 |
Rise |
0.000 |
2.558 |
11.498 |
0.000 |
0.121 |
-0.203 |
Tilt |
-0.137 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.039 |
0.121 |
0.000 |
0.026 |
0.008 |
Twist |
0.000 |
-0.040 |
-0.203 |
0.000 |
0.008 |
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 |
1.432 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.010 |
1.932 |
0.000 |
-0.018 |
-0.116 |
Rise |
0.000 |
1.932 |
7.706 |
0.000 |
-0.016 |
-0.165 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.018 |
-0.016 |
0.000 |
0.021 |
0.005 |
Twist |
0.000 |
-0.116 |
-0.165 |
0.000 |
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 |
0.983 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
1.609 |
1.756 |
0.000 |
-0.033 |
-0.096 |
Rise |
0.000 |
1.756 |
8.943 |
0.000 |
-0.027 |
-0.194 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.027 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.096 |
-0.194 |
0.000 |
0.008 |
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 |
0.870 |
0.000 |
0.000 |
-0.014 |
0.000 |
0.000 |
Slide |
0.000 |
3.787 |
3.168 |
0.000 |
0.023 |
-0.110 |
Rise |
0.000 |
3.168 |
11.508 |
0.000 |
0.090 |
-0.246 |
Tilt |
-0.014 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
0.090 |
0.000 |
0.023 |
0.005 |
Twist |
0.000 |
-0.110 |
-0.246 |
0.000 |
0.005 |
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 |
0.428 |
0.000 |
0.000 |
-0.041 |
0.000 |
0.000 |
Slide |
0.000 |
2.651 |
0.689 |
0.000 |
0.016 |
-0.151 |
Rise |
0.000 |
0.689 |
8.613 |
0.000 |
-0.118 |
-0.239 |
Tilt |
-0.041 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
-0.118 |
0.000 |
0.019 |
0.014 |
Twist |
0.000 |
-0.151 |
-0.239 |
0.000 |
0.014 |
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 |
0.388 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
2.274 |
1.250 |
0.000 |
0.005 |
-0.129 |
Rise |
0.000 |
1.250 |
7.863 |
0.000 |
-0.085 |
-0.221 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.085 |
0.000 |
0.017 |
0.012 |
Twist |
0.000 |
-0.129 |
-0.221 |
0.000 |
0.012 |
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 |
0.774 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
2.515 |
1.051 |
0.000 |
-0.040 |
-0.132 |
Rise |
0.000 |
1.051 |
8.918 |
0.000 |
-0.022 |
-0.152 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.022 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.132 |
-0.152 |
0.000 |
0.010 |
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 |
0.663 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
2.466 |
1.061 |
0.000 |
0.014 |
-0.088 |
Rise |
0.000 |
1.061 |
7.033 |
0.000 |
-0.060 |
-0.202 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.060 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.088 |
-0.202 |
0.000 |
0.007 |
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 |
0.738 |
0.000 |
0.000 |
-0.091 |
0.000 |
0.000 |
Slide |
0.000 |
2.565 |
1.355 |
0.000 |
0.008 |
-0.105 |
Rise |
0.000 |
1.355 |
6.565 |
0.000 |
-0.056 |
-0.193 |
Tilt |
-0.091 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.056 |
0.000 |
0.016 |
0.008 |
Twist |
0.000 |
-0.105 |
-0.193 |
0.000 |
0.008 |
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)