| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.976 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
4.201 |
3.329 |
0.000 |
0.004 |
-0.064 |
Rise |
0.000 |
3.329 |
10.652 |
0.000 |
0.052 |
-0.245 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
0.052 |
0.000 |
0.027 |
0.012 |
Twist |
0.000 |
-0.064 |
-0.245 |
0.000 |
0.012 |
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 |
1.163 |
0.000 |
0.000 |
-0.144 |
0.000 |
0.000 |
Slide |
0.000 |
2.581 |
1.245 |
0.000 |
0.024 |
-0.082 |
Rise |
0.000 |
1.245 |
7.333 |
0.000 |
-0.057 |
-0.228 |
Tilt |
-0.144 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.024 |
-0.057 |
0.000 |
0.014 |
0.004 |
Twist |
0.000 |
-0.082 |
-0.228 |
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 |
0.989 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
3.005 |
0.325 |
0.000 |
-0.001 |
-0.133 |
Rise |
0.000 |
0.326 |
8.648 |
0.000 |
-0.139 |
-0.296 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.139 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.133 |
-0.296 |
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 |
1.229 |
0.000 |
0.000 |
-0.147 |
0.000 |
0.000 |
Slide |
0.000 |
2.623 |
1.224 |
0.000 |
0.019 |
-0.090 |
Rise |
0.000 |
1.224 |
7.468 |
0.000 |
-0.072 |
-0.249 |
Tilt |
-0.147 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
-0.072 |
0.000 |
0.015 |
0.003 |
Twist |
0.000 |
-0.090 |
-0.249 |
0.000 |
0.003 |
0.022 |
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 |
0.859 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
2.381 |
1.438 |
0.000 |
-0.049 |
-0.126 |
Rise |
0.000 |
1.438 |
8.739 |
0.000 |
-0.046 |
-0.184 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.046 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.126 |
-0.184 |
0.000 |
0.011 |
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 |
1.318 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
2.574 |
2.164 |
0.000 |
0.047 |
-0.044 |
Rise |
0.000 |
2.164 |
11.096 |
0.000 |
0.134 |
-0.207 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.047 |
0.134 |
0.000 |
0.027 |
0.008 |
Twist |
0.000 |
-0.044 |
-0.207 |
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 |
1.313 |
0.000 |
0.000 |
-0.138 |
0.000 |
0.000 |
Slide |
0.000 |
2.543 |
2.160 |
0.000 |
0.060 |
-0.048 |
Rise |
0.000 |
2.160 |
10.432 |
0.000 |
0.123 |
-0.188 |
Tilt |
-0.138 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.060 |
0.123 |
0.000 |
0.027 |
0.009 |
Twist |
0.000 |
-0.048 |
-0.188 |
0.000 |
0.009 |
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 |
1.048 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
3.868 |
3.244 |
0.000 |
-0.001 |
-0.054 |
Rise |
0.000 |
3.244 |
10.421 |
0.000 |
0.047 |
-0.229 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
0.047 |
0.000 |
0.026 |
0.009 |
Twist |
0.000 |
-0.054 |
-0.229 |
0.000 |
0.009 |
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 |
0.864 |
0.000 |
0.000 |
-0.092 |
0.000 |
0.000 |
Slide |
0.000 |
2.135 |
1.480 |
0.000 |
-0.042 |
-0.120 |
Rise |
0.000 |
1.480 |
8.498 |
0.000 |
-0.042 |
-0.165 |
Tilt |
-0.092 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.042 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.120 |
-0.165 |
0.000 |
0.010 |
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)