| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.627 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
3.160 |
1.087 |
0.000 |
-0.060 |
-0.175 |
Rise |
0.000 |
1.087 |
7.849 |
0.000 |
-0.036 |
-0.135 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.036 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.175 |
-0.135 |
0.000 |
0.008 |
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 |
2.656 |
0.000 |
0.000 |
0.014 |
0.000 |
0.000 |
Slide |
0.000 |
6.949 |
2.466 |
0.000 |
-0.054 |
-0.330 |
Rise |
0.000 |
2.466 |
12.539 |
0.000 |
0.055 |
-0.091 |
Tilt |
0.014 |
0.000 |
0.000 |
0.049 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
0.055 |
0.000 |
0.039 |
0.006 |
Twist |
0.000 |
-0.330 |
-0.091 |
0.000 |
0.006 |
0.086 |
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 |
1.056 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.864 |
0.314 |
0.000 |
0.023 |
-0.134 |
Rise |
0.000 |
0.313 |
7.956 |
0.000 |
-0.111 |
-0.237 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
-0.111 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.134 |
-0.237 |
0.000 |
0.008 |
0.028 |
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 |
0.886 |
0.000 |
0.000 |
-0.118 |
0.000 |
0.000 |
Slide |
0.000 |
3.040 |
0.268 |
0.000 |
0.014 |
-0.126 |
Rise |
0.000 |
0.268 |
8.444 |
0.000 |
-0.085 |
-0.235 |
Tilt |
-0.118 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.085 |
0.000 |
0.017 |
0.008 |
Twist |
0.000 |
-0.126 |
-0.236 |
0.000 |
0.008 |
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 |
0.740 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
2.233 |
1.568 |
0.000 |
-0.061 |
-0.169 |
Rise |
0.000 |
1.568 |
7.099 |
0.000 |
-0.052 |
-0.142 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.052 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.169 |
-0.142 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.212 |
0.000 |
0.000 |
-0.128 |
0.000 |
0.000 |
Slide |
0.000 |
3.079 |
2.646 |
0.000 |
0.076 |
-0.085 |
Rise |
0.000 |
2.646 |
11.397 |
0.000 |
0.141 |
-0.249 |
Tilt |
-0.128 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.076 |
0.141 |
0.000 |
0.027 |
0.006 |
Twist |
0.000 |
-0.085 |
-0.249 |
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 |
0.747 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
4.272 |
2.643 |
0.000 |
0.096 |
-0.137 |
Rise |
0.000 |
2.643 |
11.241 |
0.000 |
0.157 |
-0.223 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.096 |
0.157 |
0.000 |
0.021 |
0.002 |
Twist |
0.000 |
-0.137 |
-0.223 |
0.000 |
0.002 |
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 |
0.826 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
2.059 |
1.444 |
0.000 |
-0.030 |
-0.117 |
Rise |
0.000 |
1.444 |
7.933 |
0.000 |
-0.065 |
-0.187 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.065 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.117 |
-0.187 |
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 |
1.337 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
Slide |
0.000 |
3.273 |
1.446 |
0.000 |
-0.066 |
-0.205 |
Rise |
0.000 |
1.446 |
7.839 |
0.000 |
-0.055 |
-0.140 |
Tilt |
-0.093 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.055 |
0.000 |
0.027 |
0.006 |
Twist |
0.000 |
-0.205 |
-0.140 |
0.000 |
0.006 |
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)