| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.035 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
Slide |
0.000 |
3.610 |
2.665 |
0.000 |
-0.036 |
-0.244 |
Rise |
0.000 |
2.665 |
13.861 |
0.000 |
-0.184 |
-0.293 |
Tilt |
0.004 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.184 |
0.000 |
0.026 |
0.004 |
Twist |
0.000 |
-0.244 |
-0.293 |
0.000 |
0.004 |
0.065 |
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 |
1.306 |
0.000 |
0.000 |
-0.034 |
0.000 |
0.000 |
Slide |
0.000 |
5.689 |
1.193 |
0.000 |
-0.002 |
-0.270 |
Rise |
0.000 |
1.193 |
8.333 |
0.000 |
-0.126 |
-0.174 |
Tilt |
-0.034 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
-0.126 |
0.000 |
0.021 |
-0.001 |
Twist |
0.000 |
-0.270 |
-0.174 |
0.000 |
-0.001 |
0.072 |
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 |
0.832 |
0.000 |
0.000 |
-0.012 |
0.000 |
0.000 |
Slide |
0.000 |
3.641 |
2.661 |
0.000 |
-0.079 |
-0.189 |
Rise |
0.000 |
2.661 |
11.151 |
0.000 |
-0.246 |
-0.178 |
Tilt |
-0.012 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.079 |
-0.246 |
0.000 |
0.022 |
0.004 |
Twist |
0.000 |
-0.189 |
-0.178 |
0.000 |
0.004 |
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 |
0.909 |
0.000 |
0.000 |
0.009 |
0.000 |
0.000 |
Slide |
0.000 |
4.027 |
3.132 |
0.000 |
-0.071 |
-0.259 |
Rise |
0.000 |
3.132 |
13.177 |
0.000 |
-0.210 |
-0.220 |
Tilt |
0.009 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.071 |
-0.210 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.259 |
-0.220 |
0.000 |
0.005 |
0.069 |
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 |
1.373 |
0.000 |
0.000 |
-0.002 |
0.000 |
0.000 |
Slide |
0.000 |
5.824 |
0.914 |
0.000 |
-0.067 |
-0.163 |
Rise |
0.000 |
0.914 |
5.267 |
0.000 |
-0.112 |
-0.106 |
Tilt |
-0.002 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.067 |
-0.112 |
0.000 |
0.017 |
-0.001 |
Twist |
0.000 |
-0.163 |
-0.106 |
0.000 |
-0.001 |
0.068 |
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 |
1.295 |
0.000 |
0.000 |
-0.015 |
0.000 |
0.000 |
Slide |
0.000 |
5.399 |
1.157 |
0.000 |
0.001 |
-0.302 |
Rise |
0.000 |
1.157 |
8.355 |
0.000 |
-0.148 |
-0.221 |
Tilt |
-0.015 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.148 |
0.000 |
0.021 |
0.001 |
Twist |
0.000 |
-0.302 |
-0.221 |
0.000 |
0.001 |
0.071 |
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 |
1.206 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Slide |
0.000 |
4.871 |
1.287 |
0.000 |
0.026 |
-0.251 |
Rise |
0.000 |
1.287 |
7.549 |
0.000 |
-0.170 |
-0.218 |
Tilt |
0.025 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
-0.170 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.251 |
-0.218 |
0.000 |
0.005 |
0.073 |
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 |
0.000 |
0.000 |
0.014 |
0.000 |
0.000 |
Slide |
0.000 |
4.901 |
1.188 |
0.000 |
0.024 |
-0.262 |
Rise |
0.000 |
1.188 |
7.854 |
0.000 |
-0.192 |
-0.246 |
Tilt |
0.014 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.024 |
-0.192 |
0.000 |
0.023 |
0.005 |
Twist |
0.000 |
-0.262 |
-0.246 |
0.000 |
0.005 |
0.075 |
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 |
2.354 |
0.000 |
0.000 |
-0.083 |
0.000 |
0.000 |
Slide |
0.000 |
6.693 |
1.111 |
0.000 |
0.005 |
-0.276 |
Rise |
0.000 |
1.111 |
8.290 |
0.000 |
-0.143 |
-0.212 |
Tilt |
-0.083 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.143 |
0.000 |
0.026 |
0.001 |
Twist |
0.000 |
-0.276 |
-0.212 |
0.000 |
0.001 |
0.071 |
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 |
2.451 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
6.559 |
1.249 |
0.000 |
-0.005 |
-0.271 |
Rise |
0.000 |
1.249 |
8.726 |
0.000 |
-0.149 |
-0.262 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
-0.149 |
0.000 |
0.027 |
0.001 |
Twist |
0.000 |
-0.271 |
-0.262 |
0.000 |
0.001 |
0.070 |
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 |
1.066 |
0.000 |
0.000 |
-0.005 |
0.000 |
0.000 |
Slide |
0.000 |
3.423 |
2.206 |
0.000 |
-0.016 |
-0.135 |
Rise |
0.000 |
2.206 |
13.969 |
0.000 |
-0.100 |
-0.155 |
Tilt |
-0.005 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
-0.100 |
0.000 |
0.025 |
-0.001 |
Twist |
0.000 |
-0.135 |
-0.155 |
0.000 |
-0.001 |
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 |
2.009 |
0.000 |
0.000 |
0.069 |
0.000 |
0.000 |
Slide |
0.000 |
5.692 |
0.417 |
0.000 |
-0.051 |
-0.144 |
Rise |
0.000 |
0.417 |
6.620 |
0.000 |
-0.121 |
-0.133 |
Tilt |
0.069 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.121 |
0.000 |
0.016 |
0.001 |
Twist |
0.000 |
-0.144 |
-0.133 |
0.000 |
0.001 |
0.065 |
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 |
1.338 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Slide |
0.000 |
5.345 |
1.296 |
0.000 |
0.029 |
-0.266 |
Rise |
0.000 |
1.296 |
8.951 |
0.000 |
-0.187 |
-0.205 |
Tilt |
0.027 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.029 |
-0.187 |
0.000 |
0.023 |
0.005 |
Twist |
0.000 |
-0.266 |
-0.205 |
0.000 |
0.005 |
0.078 |
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 |
0.000 |
0.000 |
0.000 |
Slide |
0.000 |
5.447 |
0.906 |
0.000 |
-0.054 |
-0.177 |
Rise |
0.000 |
0.906 |
5.642 |
0.000 |
-0.127 |
-0.130 |
Tilt |
0.000 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.127 |
0.000 |
0.018 |
-0.002 |
Twist |
0.000 |
-0.177 |
-0.130 |
0.000 |
-0.002 |
0.070 |
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 |
1.259 |
0.000 |
0.000 |
-0.003 |
0.000 |
0.000 |
Slide |
0.000 |
5.629 |
0.885 |
0.000 |
-0.069 |
-0.235 |
Rise |
0.000 |
0.885 |
5.011 |
0.000 |
-0.048 |
-0.050 |
Tilt |
-0.003 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.069 |
-0.048 |
0.000 |
0.018 |
-0.001 |
Twist |
0.000 |
-0.235 |
-0.050 |
0.000 |
-0.001 |
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)