| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.389 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
2.968 |
1.275 |
0.000 |
-0.055 |
-0.199 |
Rise |
0.000 |
1.275 |
7.595 |
0.000 |
-0.043 |
-0.151 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.043 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.199 |
-0.151 |
0.000 |
0.005 |
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 |
2.202 |
0.000 |
0.000 |
-0.001 |
0.000 |
0.000 |
Slide |
0.000 |
4.951 |
2.481 |
0.000 |
-0.016 |
-0.171 |
Rise |
0.000 |
2.481 |
9.935 |
0.000 |
0.071 |
-0.123 |
Tilt |
-0.001 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
0.071 |
0.000 |
0.035 |
0.007 |
Twist |
0.000 |
-0.171 |
-0.123 |
0.000 |
0.007 |
0.066 |
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 |
0.921 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
2.754 |
0.457 |
0.000 |
0.003 |
-0.122 |
Rise |
0.000 |
0.458 |
7.866 |
0.000 |
-0.084 |
-0.229 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.084 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.122 |
-0.229 |
0.000 |
0.007 |
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 |
0.936 |
0.000 |
0.000 |
-0.113 |
0.000 |
0.000 |
Slide |
0.000 |
2.839 |
0.330 |
0.000 |
0.005 |
-0.126 |
Rise |
0.000 |
0.330 |
7.924 |
0.000 |
-0.079 |
-0.227 |
Tilt |
-0.113 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.079 |
0.000 |
0.016 |
0.006 |
Twist |
0.000 |
-0.126 |
-0.227 |
0.000 |
0.006 |
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 |
0.828 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
2.071 |
1.500 |
0.000 |
-0.038 |
-0.126 |
Rise |
0.000 |
1.500 |
7.694 |
0.000 |
-0.047 |
-0.187 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.038 |
-0.047 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.126 |
-0.187 |
0.000 |
0.010 |
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 |
1.110 |
0.000 |
0.000 |
-0.117 |
0.000 |
0.000 |
Slide |
0.000 |
3.057 |
2.382 |
0.000 |
0.066 |
-0.094 |
Rise |
0.000 |
2.382 |
11.131 |
0.000 |
0.146 |
-0.230 |
Tilt |
-0.117 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.066 |
0.146 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.094 |
-0.230 |
0.000 |
0.006 |
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 |
1.071 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
3.209 |
2.279 |
0.000 |
0.074 |
-0.093 |
Rise |
0.000 |
2.279 |
11.050 |
0.000 |
0.132 |
-0.236 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.074 |
0.132 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.093 |
-0.236 |
0.000 |
0.005 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.810 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
2.036 |
1.432 |
0.000 |
-0.043 |
-0.123 |
Rise |
0.000 |
1.432 |
7.611 |
0.000 |
-0.053 |
-0.177 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.053 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.123 |
-0.177 |
0.000 |
0.012 |
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 |
1.376 |
0.000 |
0.000 |
-0.066 |
0.000 |
0.000 |
Slide |
0.000 |
3.153 |
1.463 |
0.000 |
-0.057 |
-0.209 |
Rise |
0.000 |
1.463 |
7.679 |
0.000 |
-0.041 |
-0.175 |
Tilt |
-0.066 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.041 |
0.000 |
0.024 |
0.006 |
Twist |
0.000 |
-0.209 |
-0.175 |
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)