| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.129 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
3.361 |
0.984 |
0.000 |
-0.053 |
-0.217 |
Rise |
0.000 |
0.984 |
9.156 |
0.000 |
-0.030 |
-0.177 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.030 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.217 |
-0.177 |
0.000 |
0.006 |
0.044 |
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 |
2.803 |
0.000 |
0.000 |
-0.023 |
0.000 |
0.000 |
Slide |
0.000 |
5.324 |
2.665 |
0.000 |
-0.008 |
-0.189 |
Rise |
0.000 |
2.665 |
11.334 |
0.000 |
0.047 |
-0.160 |
Tilt |
-0.023 |
0.000 |
0.000 |
0.049 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
0.047 |
0.000 |
0.038 |
0.005 |
Twist |
0.000 |
-0.189 |
-0.160 |
0.000 |
0.005 |
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 |
1.006 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
1.516 |
1.679 |
0.000 |
0.012 |
-0.064 |
Rise |
0.000 |
1.679 |
7.427 |
0.000 |
-0.020 |
-0.168 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.020 |
0.000 |
0.016 |
0.004 |
Twist |
0.000 |
-0.064 |
-0.168 |
0.000 |
0.004 |
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 |
1.058 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
2.338 |
1.813 |
0.000 |
-0.056 |
-0.106 |
Rise |
0.000 |
1.813 |
8.030 |
0.000 |
-0.037 |
-0.180 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
-0.037 |
0.000 |
0.020 |
0.006 |
Twist |
0.000 |
-0.106 |
-0.180 |
0.000 |
0.006 |
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 |
0.720 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
2.503 |
0.467 |
0.000 |
-0.052 |
-0.150 |
Rise |
0.000 |
0.467 |
7.133 |
0.000 |
-0.046 |
-0.142 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
-0.046 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.150 |
-0.142 |
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 |
0.987 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.145 |
1.243 |
0.000 |
-0.049 |
-0.111 |
Rise |
0.000 |
1.243 |
7.923 |
0.000 |
-0.053 |
-0.167 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.053 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.111 |
-0.167 |
0.000 |
0.010 |
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 |
1.842 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
3.833 |
1.218 |
0.000 |
-0.030 |
-0.298 |
Rise |
0.000 |
1.218 |
8.408 |
0.000 |
-0.046 |
-0.146 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.046 |
0.000 |
0.025 |
0.004 |
Twist |
0.000 |
-0.298 |
-0.146 |
0.000 |
0.004 |
0.057 |
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 |
1.608 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
3.120 |
1.173 |
0.000 |
-0.064 |
-0.186 |
Rise |
0.000 |
1.173 |
7.884 |
0.000 |
-0.065 |
-0.165 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.064 |
-0.065 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.186 |
-0.165 |
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 |
1.379 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
2.569 |
1.357 |
0.000 |
-0.096 |
-0.134 |
Rise |
0.000 |
1.357 |
7.977 |
0.000 |
-0.066 |
-0.185 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.096 |
-0.066 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.134 |
-0.185 |
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)