| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.755 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
2.892 |
0.936 |
0.000 |
-0.067 |
-0.136 |
Rise |
0.000 |
0.936 |
9.725 |
0.000 |
-0.040 |
-0.177 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.067 |
-0.040 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.136 |
-0.177 |
0.000 |
0.010 |
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 |
1.365 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
3.872 |
3.215 |
0.000 |
0.011 |
-0.092 |
Rise |
0.000 |
3.215 |
11.050 |
0.000 |
0.048 |
-0.240 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
0.048 |
0.000 |
0.026 |
0.010 |
Twist |
0.000 |
-0.092 |
-0.240 |
0.000 |
0.010 |
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 |
1.085 |
0.000 |
0.000 |
-0.087 |
0.000 |
0.000 |
Slide |
0.000 |
2.539 |
1.656 |
0.000 |
-0.041 |
-0.092 |
Rise |
0.000 |
1.656 |
6.576 |
0.000 |
-0.076 |
-0.166 |
Tilt |
-0.087 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.041 |
-0.076 |
0.000 |
0.019 |
0.003 |
Twist |
0.000 |
-0.092 |
-0.166 |
0.000 |
0.003 |
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 |
1.338 |
0.000 |
0.000 |
-0.010 |
0.000 |
0.000 |
Slide |
0.000 |
5.011 |
2.976 |
0.000 |
-0.062 |
-0.107 |
Rise |
0.000 |
2.976 |
11.777 |
0.000 |
0.069 |
-0.167 |
Tilt |
-0.010 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
0.069 |
0.000 |
0.031 |
0.014 |
Twist |
0.000 |
-0.107 |
-0.167 |
0.000 |
0.014 |
0.049 |
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 |
1.666 |
0.000 |
0.000 |
-0.021 |
0.000 |
0.000 |
Slide |
0.000 |
5.012 |
2.904 |
0.000 |
-0.014 |
-0.150 |
Rise |
0.000 |
2.904 |
11.814 |
0.000 |
0.092 |
-0.151 |
Tilt |
-0.021 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
0.092 |
0.000 |
0.034 |
0.009 |
Twist |
0.000 |
-0.150 |
-0.151 |
0.000 |
0.009 |
0.053 |
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 |
1.531 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
Slide |
0.000 |
5.164 |
2.893 |
0.000 |
-0.056 |
-0.102 |
Rise |
0.000 |
2.893 |
11.782 |
0.000 |
0.078 |
-0.170 |
Tilt |
0.007 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
0.078 |
0.000 |
0.029 |
0.014 |
Twist |
0.000 |
-0.102 |
-0.170 |
0.000 |
0.014 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.093 |
0.000 |
0.000 |
-0.140 |
0.000 |
0.000 |
Slide |
0.000 |
2.593 |
1.126 |
0.000 |
0.024 |
-0.082 |
Rise |
0.000 |
1.126 |
7.616 |
0.000 |
-0.089 |
-0.240 |
Tilt |
-0.140 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.024 |
-0.089 |
0.000 |
0.016 |
0.006 |
Twist |
0.000 |
-0.082 |
-0.240 |
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 |
1.443 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
2.389 |
1.399 |
0.000 |
-0.004 |
-0.182 |
Rise |
0.000 |
1.399 |
7.630 |
0.000 |
-0.042 |
-0.136 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.042 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.182 |
-0.136 |
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 |
0.940 |
0.000 |
0.000 |
-0.128 |
0.000 |
0.000 |
Slide |
0.000 |
2.024 |
1.543 |
0.000 |
-0.060 |
-0.099 |
Rise |
0.000 |
1.543 |
8.884 |
0.000 |
-0.030 |
-0.181 |
Tilt |
-0.128 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.030 |
0.000 |
0.021 |
0.011 |
Twist |
0.000 |
-0.099 |
-0.181 |
0.000 |
0.011 |
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 |
0.635 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
1.984 |
1.037 |
0.000 |
0.046 |
-0.092 |
Rise |
0.000 |
1.037 |
7.314 |
0.000 |
-0.081 |
-0.220 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.046 |
-0.081 |
0.000 |
0.017 |
0.009 |
Twist |
0.000 |
-0.092 |
-0.220 |
0.000 |
0.009 |
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 |
0.432 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
2.527 |
1.278 |
0.000 |
0.017 |
-0.140 |
Rise |
0.000 |
1.278 |
7.633 |
0.000 |
-0.084 |
-0.231 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
-0.084 |
0.000 |
0.017 |
0.012 |
Twist |
0.000 |
-0.140 |
-0.231 |
0.000 |
0.012 |
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 |
2.085 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
4.022 |
1.489 |
0.000 |
-0.039 |
-0.286 |
Rise |
0.000 |
1.489 |
7.480 |
0.000 |
-0.087 |
-0.163 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.087 |
0.000 |
0.024 |
0.004 |
Twist |
0.000 |
-0.286 |
-0.163 |
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 |
1.049 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
3.146 |
0.713 |
0.000 |
-0.039 |
-0.125 |
Rise |
0.000 |
0.713 |
6.291 |
0.000 |
-0.071 |
-0.129 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.071 |
0.000 |
0.016 |
0.004 |
Twist |
0.000 |
-0.125 |
-0.129 |
0.000 |
0.004 |
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)