| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.348 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
3.097 |
1.462 |
0.000 |
-0.074 |
-0.219 |
Rise |
0.000 |
1.462 |
7.059 |
0.000 |
-0.046 |
-0.170 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.074 |
-0.046 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.219 |
-0.170 |
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 |
2.048 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
Slide |
0.000 |
5.069 |
2.964 |
0.000 |
-0.046 |
-0.222 |
Rise |
0.000 |
2.964 |
10.038 |
0.000 |
0.043 |
-0.176 |
Tilt |
0.002 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.046 |
0.043 |
0.000 |
0.032 |
0.009 |
Twist |
0.000 |
-0.222 |
-0.176 |
0.000 |
0.009 |
0.072 |
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 |
0.936 |
0.000 |
0.000 |
-0.126 |
0.000 |
0.000 |
Slide |
0.000 |
2.998 |
0.539 |
0.000 |
0.002 |
-0.135 |
Rise |
0.000 |
0.539 |
8.222 |
0.000 |
-0.076 |
-0.239 |
Tilt |
-0.126 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.076 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.135 |
-0.239 |
0.000 |
0.007 |
0.025 |
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 |
0.906 |
0.000 |
0.000 |
-0.116 |
0.000 |
0.000 |
Slide |
0.000 |
2.852 |
0.235 |
0.000 |
0.009 |
-0.116 |
Rise |
0.000 |
0.235 |
8.358 |
0.000 |
-0.095 |
-0.224 |
Tilt |
-0.116 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.095 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.116 |
-0.224 |
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 |
0.804 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
1.907 |
1.450 |
0.000 |
-0.031 |
-0.112 |
Rise |
0.000 |
1.450 |
7.535 |
0.000 |
-0.052 |
-0.184 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
-0.052 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.112 |
-0.184 |
0.000 |
0.012 |
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 |
1.187 |
0.000 |
0.000 |
-0.118 |
0.000 |
0.000 |
Slide |
0.000 |
2.760 |
2.258 |
0.000 |
0.067 |
-0.072 |
Rise |
0.000 |
2.258 |
10.606 |
0.000 |
0.135 |
-0.218 |
Tilt |
-0.118 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.067 |
0.135 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.072 |
-0.218 |
0.000 |
0.007 |
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 |
1.285 |
0.000 |
0.000 |
-0.136 |
0.000 |
0.000 |
Slide |
0.000 |
3.069 |
2.529 |
0.000 |
0.065 |
-0.108 |
Rise |
0.000 |
2.529 |
11.710 |
0.000 |
0.134 |
-0.248 |
Tilt |
-0.136 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.065 |
0.134 |
0.000 |
0.027 |
0.008 |
Twist |
0.000 |
-0.108 |
-0.248 |
0.000 |
0.008 |
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 |
0.794 |
0.000 |
0.000 |
-0.083 |
0.000 |
0.000 |
Slide |
0.000 |
1.934 |
1.632 |
0.000 |
-0.029 |
-0.126 |
Rise |
0.000 |
1.632 |
7.731 |
0.000 |
-0.058 |
-0.197 |
Tilt |
-0.083 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.029 |
-0.058 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.126 |
-0.197 |
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 |
1.292 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
3.094 |
1.456 |
0.000 |
-0.062 |
-0.221 |
Rise |
0.000 |
1.456 |
7.352 |
0.000 |
-0.046 |
-0.167 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
-0.046 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.221 |
-0.167 |
0.000 |
0.008 |
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)