| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.354 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
2.971 |
1.341 |
0.000 |
-0.085 |
-0.207 |
Rise |
0.000 |
1.341 |
7.470 |
0.000 |
-0.064 |
-0.155 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.085 |
-0.064 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.207 |
-0.155 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.276 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Slide |
0.000 |
5.118 |
3.038 |
0.000 |
-0.053 |
-0.209 |
Rise |
0.000 |
3.038 |
10.060 |
0.000 |
0.055 |
-0.177 |
Tilt |
0.023 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
0.055 |
0.000 |
0.034 |
0.008 |
Twist |
0.000 |
-0.209 |
-0.177 |
0.000 |
0.008 |
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 |
0.889 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
3.169 |
0.624 |
0.000 |
-0.004 |
-0.144 |
Rise |
0.000 |
0.624 |
9.248 |
0.000 |
-0.120 |
-0.273 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.120 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.144 |
-0.273 |
0.000 |
0.009 |
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 |
0.969 |
0.000 |
0.000 |
-0.131 |
0.000 |
0.000 |
Slide |
0.000 |
3.009 |
0.458 |
0.000 |
-0.022 |
-0.149 |
Rise |
0.000 |
0.458 |
9.097 |
0.000 |
-0.106 |
-0.254 |
Tilt |
-0.131 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.106 |
0.000 |
0.016 |
0.009 |
Twist |
0.000 |
-0.149 |
-0.254 |
0.000 |
0.009 |
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 |
0.826 |
0.000 |
0.000 |
-0.076 |
0.000 |
0.000 |
Slide |
0.000 |
2.254 |
1.742 |
0.000 |
-0.042 |
-0.118 |
Rise |
0.000 |
1.742 |
8.633 |
0.000 |
-0.070 |
-0.192 |
Tilt |
-0.076 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.070 |
0.000 |
0.026 |
0.013 |
Twist |
0.000 |
-0.118 |
-0.192 |
0.000 |
0.013 |
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 |
1.436 |
0.000 |
0.000 |
-0.131 |
0.000 |
0.000 |
Slide |
0.000 |
3.120 |
2.874 |
0.000 |
0.044 |
-0.067 |
Rise |
0.000 |
2.874 |
12.328 |
0.000 |
0.108 |
-0.240 |
Tilt |
-0.131 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.044 |
0.108 |
0.000 |
0.028 |
0.008 |
Twist |
0.000 |
-0.067 |
-0.240 |
0.000 |
0.008 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.195 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
3.116 |
3.031 |
0.000 |
0.054 |
-0.083 |
Rise |
0.000 |
3.031 |
11.536 |
0.000 |
0.100 |
-0.263 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.054 |
0.100 |
0.000 |
0.029 |
0.009 |
Twist |
0.000 |
-0.083 |
-0.263 |
0.000 |
0.009 |
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 |
0.768 |
0.000 |
0.000 |
-0.101 |
0.000 |
0.000 |
Slide |
0.000 |
2.798 |
1.550 |
0.000 |
-0.046 |
-0.130 |
Rise |
0.000 |
1.550 |
8.038 |
0.000 |
-0.031 |
-0.161 |
Tilt |
-0.101 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.046 |
-0.031 |
0.000 |
0.025 |
0.012 |
Twist |
0.000 |
-0.130 |
-0.161 |
0.000 |
0.012 |
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 |
1.614 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
3.185 |
1.958 |
0.000 |
-0.079 |
-0.236 |
Rise |
0.000 |
1.958 |
6.936 |
0.000 |
-0.057 |
-0.204 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.079 |
-0.057 |
0.000 |
0.025 |
0.011 |
Twist |
0.000 |
-0.236 |
-0.204 |
0.000 |
0.011 |
0.051 |
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)