| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.429 |
0.000 |
0.000 |
-0.045 |
0.000 |
0.000 |
Slide |
0.000 |
3.306 |
1.289 |
0.000 |
-0.061 |
-0.196 |
Rise |
0.000 |
1.289 |
7.595 |
0.000 |
-0.041 |
-0.140 |
Tilt |
-0.045 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.041 |
0.000 |
0.024 |
0.004 |
Twist |
0.000 |
-0.196 |
-0.140 |
0.000 |
0.004 |
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 |
1.949 |
0.000 |
0.000 |
0.010 |
0.000 |
0.000 |
Slide |
0.000 |
5.031 |
2.931 |
0.000 |
-0.013 |
-0.179 |
Rise |
0.000 |
2.931 |
10.425 |
0.000 |
0.066 |
-0.148 |
Tilt |
0.010 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.013 |
0.066 |
0.000 |
0.034 |
0.007 |
Twist |
0.000 |
-0.179 |
-0.148 |
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 |
0.911 |
0.000 |
0.000 |
-0.118 |
0.000 |
0.000 |
Slide |
0.000 |
2.866 |
0.782 |
0.000 |
0.010 |
-0.127 |
Rise |
0.000 |
0.782 |
8.215 |
0.000 |
-0.094 |
-0.262 |
Tilt |
-0.118 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.094 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.127 |
-0.262 |
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 |
0.950 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
2.451 |
0.713 |
0.000 |
0.003 |
-0.121 |
Rise |
0.000 |
0.713 |
7.411 |
0.000 |
-0.078 |
-0.228 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.078 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.121 |
-0.228 |
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 |
0.842 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
2.061 |
1.391 |
0.000 |
-0.037 |
-0.114 |
Rise |
0.000 |
1.391 |
7.292 |
0.000 |
-0.057 |
-0.179 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.057 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.114 |
-0.179 |
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 |
1.116 |
0.000 |
0.000 |
-0.091 |
0.000 |
0.000 |
Slide |
0.000 |
3.437 |
2.189 |
0.000 |
0.066 |
-0.052 |
Rise |
0.000 |
2.189 |
10.266 |
0.000 |
0.115 |
-0.194 |
Tilt |
-0.091 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.066 |
0.115 |
0.000 |
0.022 |
0.004 |
Twist |
0.000 |
-0.052 |
-0.194 |
0.000 |
0.004 |
0.019 |
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 |
1.088 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
3.152 |
2.666 |
0.000 |
0.062 |
-0.082 |
Rise |
0.000 |
2.666 |
11.189 |
0.000 |
0.121 |
-0.234 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.062 |
0.121 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.082 |
-0.234 |
0.000 |
0.006 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.769 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
2.146 |
1.342 |
0.000 |
-0.045 |
-0.124 |
Rise |
0.000 |
1.342 |
7.417 |
0.000 |
-0.049 |
-0.156 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
-0.049 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.124 |
-0.156 |
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 |
1.464 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
3.208 |
1.490 |
0.000 |
-0.061 |
-0.221 |
Rise |
0.000 |
1.490 |
7.472 |
0.000 |
-0.065 |
-0.152 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.065 |
0.000 |
0.024 |
0.006 |
Twist |
0.000 |
-0.221 |
-0.152 |
0.000 |
0.006 |
0.046 |
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)