| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.465 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
2.975 |
1.341 |
0.000 |
-0.064 |
-0.183 |
Rise |
0.000 |
1.341 |
7.741 |
0.000 |
-0.051 |
-0.167 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.064 |
-0.051 |
0.000 |
0.024 |
0.006 |
Twist |
0.000 |
-0.183 |
-0.167 |
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 |
2.261 |
0.000 |
0.000 |
-0.005 |
0.000 |
0.000 |
Slide |
0.000 |
5.227 |
2.576 |
0.000 |
-0.020 |
-0.194 |
Rise |
0.000 |
2.576 |
10.226 |
0.000 |
0.047 |
-0.140 |
Tilt |
-0.005 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
0.047 |
0.000 |
0.034 |
0.008 |
Twist |
0.000 |
-0.194 |
-0.140 |
0.000 |
0.008 |
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 |
1.039 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
2.637 |
0.455 |
0.000 |
0.008 |
-0.119 |
Rise |
0.000 |
0.455 |
8.457 |
0.000 |
-0.095 |
-0.239 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.095 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.119 |
-0.239 |
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 |
0.964 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
2.837 |
0.369 |
0.000 |
0.013 |
-0.129 |
Rise |
0.000 |
0.368 |
8.415 |
0.000 |
-0.093 |
-0.237 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.093 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.129 |
-0.237 |
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 |
0.809 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.078 |
1.468 |
0.000 |
-0.032 |
-0.128 |
Rise |
0.000 |
1.468 |
7.753 |
0.000 |
-0.049 |
-0.175 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.032 |
-0.049 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.128 |
-0.175 |
0.000 |
0.009 |
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 |
1.020 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
3.231 |
2.380 |
0.000 |
0.075 |
-0.088 |
Rise |
0.000 |
2.380 |
11.074 |
0.000 |
0.132 |
-0.235 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.075 |
0.132 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.088 |
-0.235 |
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 |
1.104 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
3.540 |
2.464 |
0.000 |
0.066 |
-0.097 |
Rise |
0.000 |
2.464 |
10.593 |
0.000 |
0.121 |
-0.193 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.066 |
0.121 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.097 |
-0.193 |
0.000 |
0.004 |
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 |
0.792 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.074 |
1.284 |
0.000 |
-0.041 |
-0.120 |
Rise |
0.000 |
1.284 |
7.549 |
0.000 |
-0.052 |
-0.171 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.041 |
-0.052 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.120 |
-0.171 |
0.000 |
0.011 |
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 |
1.489 |
0.000 |
0.000 |
-0.066 |
0.000 |
0.000 |
Slide |
0.000 |
3.215 |
1.421 |
0.000 |
-0.065 |
-0.208 |
Rise |
0.000 |
1.421 |
7.768 |
0.000 |
-0.039 |
-0.157 |
Tilt |
-0.066 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
-0.039 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.208 |
-0.157 |
0.000 |
0.007 |
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)