| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.929 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
4.590 |
3.695 |
0.000 |
-0.011 |
-0.074 |
Rise |
0.000 |
3.695 |
11.621 |
0.000 |
0.079 |
-0.247 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.011 |
0.079 |
0.000 |
0.031 |
0.012 |
Twist |
0.000 |
-0.074 |
-0.247 |
0.000 |
0.012 |
0.041 |
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 |
1.084 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
2.745 |
0.525 |
0.000 |
0.011 |
-0.146 |
Rise |
0.000 |
0.526 |
8.961 |
0.000 |
-0.113 |
-0.277 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.113 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.146 |
-0.277 |
0.000 |
0.008 |
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 |
1.490 |
0.000 |
0.000 |
-0.159 |
0.000 |
0.000 |
Slide |
0.000 |
3.090 |
1.614 |
0.000 |
0.030 |
-0.120 |
Rise |
0.000 |
1.614 |
6.912 |
0.000 |
-0.069 |
-0.186 |
Tilt |
-0.159 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.030 |
-0.069 |
0.000 |
0.015 |
0.002 |
Twist |
0.000 |
-0.120 |
-0.186 |
0.000 |
0.002 |
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 |
1.056 |
0.000 |
0.000 |
-0.120 |
0.000 |
0.000 |
Slide |
0.000 |
2.929 |
0.303 |
0.000 |
0.010 |
-0.147 |
Rise |
0.000 |
0.303 |
9.278 |
0.000 |
-0.122 |
-0.285 |
Tilt |
-0.120 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.122 |
0.000 |
0.020 |
0.009 |
Twist |
0.000 |
-0.147 |
-0.285 |
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 |
0.883 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
3.021 |
1.317 |
0.000 |
-0.059 |
-0.123 |
Rise |
0.000 |
1.317 |
9.301 |
0.000 |
-0.046 |
-0.169 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
-0.046 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.123 |
-0.169 |
0.000 |
0.011 |
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 |
0.985 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
3.148 |
2.193 |
0.000 |
0.072 |
-0.101 |
Rise |
0.000 |
2.193 |
11.466 |
0.000 |
0.152 |
-0.234 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.072 |
0.152 |
0.000 |
0.024 |
0.002 |
Twist |
0.000 |
-0.101 |
-0.234 |
0.000 |
0.002 |
0.032 |
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 |
0.910 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
3.142 |
2.023 |
0.000 |
0.081 |
-0.110 |
Rise |
0.000 |
2.024 |
11.133 |
0.000 |
0.144 |
-0.225 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.081 |
0.144 |
0.000 |
0.023 |
0.001 |
Twist |
0.000 |
-0.110 |
-0.225 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.938 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
4.366 |
3.742 |
0.000 |
-0.012 |
-0.082 |
Rise |
0.000 |
3.742 |
11.710 |
0.000 |
0.071 |
-0.234 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.012 |
0.071 |
0.000 |
0.030 |
0.011 |
Twist |
0.000 |
-0.082 |
-0.234 |
0.000 |
0.011 |
0.042 |
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 |
0.858 |
0.000 |
0.000 |
-0.116 |
0.000 |
0.000 |
Slide |
0.000 |
2.914 |
1.270 |
0.000 |
-0.066 |
-0.106 |
Rise |
0.000 |
1.270 |
8.971 |
0.000 |
-0.056 |
-0.164 |
Tilt |
-0.116 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.056 |
0.000 |
0.025 |
0.012 |
Twist |
0.000 |
-0.106 |
-0.164 |
0.000 |
0.012 |
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)