| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.566 |
0.000 |
0.000 |
-0.030 |
0.000 |
0.000 |
Slide |
0.000 |
3.516 |
1.315 |
0.000 |
-0.098 |
-0.244 |
Rise |
0.000 |
1.315 |
7.740 |
0.000 |
-0.055 |
-0.152 |
Tilt |
-0.030 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.098 |
-0.055 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.244 |
-0.152 |
0.000 |
0.010 |
0.045 |
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 |
1.888 |
0.000 |
0.000 |
0.020 |
0.000 |
0.000 |
Slide |
0.000 |
5.449 |
2.665 |
0.000 |
-0.048 |
-0.217 |
Rise |
0.000 |
2.665 |
10.258 |
0.000 |
0.000 |
-0.147 |
Tilt |
0.020 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.048 |
0.000 |
0.000 |
0.034 |
0.010 |
Twist |
0.000 |
-0.217 |
-0.147 |
0.000 |
0.010 |
0.067 |
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 |
1.128 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
2.128 |
0.832 |
0.000 |
0.002 |
-0.083 |
Rise |
0.000 |
0.832 |
6.958 |
0.000 |
-0.059 |
-0.188 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.059 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.083 |
-0.188 |
0.000 |
0.007 |
0.019 |
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 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
2.088 |
0.678 |
0.000 |
0.008 |
-0.082 |
Rise |
0.000 |
0.678 |
7.097 |
0.000 |
-0.062 |
-0.190 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.062 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.082 |
-0.190 |
0.000 |
0.007 |
0.019 |
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 |
0.912 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
1.995 |
1.242 |
0.000 |
-0.047 |
-0.138 |
Rise |
0.000 |
1.242 |
6.850 |
0.000 |
-0.053 |
-0.157 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
-0.053 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.138 |
-0.157 |
0.000 |
0.012 |
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 |
1.313 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
4.598 |
2.177 |
0.000 |
0.087 |
-0.207 |
Rise |
0.000 |
2.177 |
10.039 |
0.000 |
0.135 |
-0.205 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.087 |
0.135 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.207 |
-0.205 |
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 |
1.341 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
4.484 |
2.141 |
0.000 |
0.076 |
-0.191 |
Rise |
0.000 |
2.141 |
9.891 |
0.000 |
0.122 |
-0.198 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.076 |
0.122 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.191 |
-0.198 |
0.000 |
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 |
0.886 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
1.884 |
1.168 |
0.000 |
-0.043 |
-0.137 |
Rise |
0.000 |
1.168 |
6.757 |
0.000 |
-0.039 |
-0.153 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.039 |
0.000 |
0.024 |
0.013 |
Twist |
0.000 |
-0.137 |
-0.153 |
0.000 |
0.013 |
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 |
1.572 |
0.000 |
0.000 |
-0.026 |
0.000 |
0.000 |
Slide |
0.000 |
3.362 |
1.230 |
0.000 |
-0.091 |
-0.226 |
Rise |
0.000 |
1.230 |
7.667 |
0.000 |
-0.054 |
-0.129 |
Tilt |
-0.026 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.091 |
-0.054 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.226 |
-0.129 |
0.000 |
0.009 |
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)