| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.402 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Slide |
0.000 |
4.571 |
0.755 |
0.000 |
0.010 |
-0.239 |
Rise |
0.000 |
0.755 |
7.919 |
0.000 |
-0.197 |
-0.203 |
Tilt |
0.033 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.197 |
0.000 |
0.020 |
0.004 |
Twist |
0.000 |
-0.239 |
-0.203 |
0.000 |
0.004 |
0.068 |
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 |
1.258 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Slide |
0.000 |
4.511 |
1.075 |
0.000 |
0.019 |
-0.241 |
Rise |
0.000 |
1.075 |
7.734 |
0.000 |
-0.190 |
-0.201 |
Tilt |
0.031 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
-0.190 |
0.000 |
0.021 |
0.004 |
Twist |
0.000 |
-0.241 |
-0.201 |
0.000 |
0.004 |
0.067 |
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 |
1.083 |
0.000 |
0.000 |
-0.009 |
0.000 |
0.000 |
Slide |
0.000 |
3.578 |
2.307 |
0.000 |
-0.033 |
-0.260 |
Rise |
0.000 |
2.307 |
12.970 |
0.000 |
-0.172 |
-0.232 |
Tilt |
-0.009 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.172 |
0.000 |
0.026 |
0.003 |
Twist |
0.000 |
-0.260 |
-0.232 |
0.000 |
0.003 |
0.060 |
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 |
0.005 |
0.000 |
0.000 |
Slide |
0.000 |
3.888 |
3.018 |
0.000 |
-0.082 |
-0.135 |
Rise |
0.000 |
3.018 |
11.974 |
0.000 |
-0.251 |
-0.204 |
Tilt |
0.005 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.082 |
-0.251 |
0.000 |
0.024 |
0.006 |
Twist |
0.000 |
-0.135 |
-0.204 |
0.000 |
0.006 |
0.050 |
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 |
1.002 |
0.000 |
0.000 |
0.010 |
0.000 |
0.000 |
Slide |
0.000 |
3.971 |
2.992 |
0.000 |
-0.079 |
-0.165 |
Rise |
0.000 |
2.992 |
12.428 |
0.000 |
-0.228 |
-0.175 |
Tilt |
0.010 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.079 |
-0.228 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.165 |
-0.175 |
0.000 |
0.006 |
0.056 |
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 |
2.369 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
6.653 |
1.354 |
0.000 |
0.002 |
-0.281 |
Rise |
0.000 |
1.354 |
8.901 |
0.000 |
-0.126 |
-0.252 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.126 |
0.000 |
0.027 |
0.000 |
Twist |
0.000 |
-0.281 |
-0.252 |
0.000 |
0.000 |
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 |
2.355 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
6.652 |
1.400 |
0.000 |
-0.001 |
-0.268 |
Rise |
0.000 |
1.400 |
8.630 |
0.000 |
-0.141 |
-0.253 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.141 |
0.000 |
0.027 |
0.001 |
Twist |
0.000 |
-0.268 |
-0.253 |
0.000 |
0.001 |
0.070 |
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 |
1.047 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
5.014 |
1.685 |
0.000 |
-0.046 |
-0.284 |
Rise |
0.000 |
1.685 |
4.200 |
0.000 |
-0.037 |
-0.082 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.046 |
-0.037 |
0.000 |
0.016 |
-0.006 |
Twist |
0.000 |
-0.284 |
-0.082 |
0.000 |
-0.006 |
0.060 |
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 |
1.363 |
0.000 |
0.000 |
-0.033 |
0.000 |
0.000 |
Slide |
0.000 |
5.750 |
1.374 |
0.000 |
-0.008 |
-0.269 |
Rise |
0.000 |
1.374 |
8.782 |
0.000 |
-0.132 |
-0.184 |
Tilt |
-0.033 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
-0.132 |
0.000 |
0.021 |
-0.002 |
Twist |
0.000 |
-0.269 |
-0.184 |
0.000 |
-0.002 |
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 |
1.318 |
0.000 |
0.000 |
-0.030 |
0.000 |
0.000 |
Slide |
0.000 |
6.089 |
1.400 |
0.000 |
-0.020 |
-0.303 |
Rise |
0.000 |
1.400 |
8.817 |
0.000 |
-0.140 |
-0.176 |
Tilt |
-0.030 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
-0.140 |
0.000 |
0.021 |
-0.001 |
Twist |
0.000 |
-0.303 |
-0.176 |
0.000 |
-0.001 |
0.075 |
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 |
2.218 |
0.000 |
0.000 |
-0.054 |
0.000 |
0.000 |
Slide |
0.000 |
4.835 |
2.712 |
0.000 |
-0.026 |
-0.316 |
Rise |
0.000 |
2.713 |
16.903 |
0.000 |
-0.059 |
-0.264 |
Tilt |
-0.054 |
0.000 |
0.000 |
0.050 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
-0.059 |
0.000 |
0.033 |
0.001 |
Twist |
0.000 |
-0.316 |
-0.264 |
0.000 |
0.001 |
0.071 |
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 |
1.941 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Slide |
0.000 |
5.896 |
0.492 |
0.000 |
-0.066 |
-0.195 |
Rise |
0.000 |
0.492 |
5.683 |
0.000 |
-0.101 |
-0.076 |
Tilt |
0.041 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.101 |
0.000 |
0.015 |
-0.000 |
Twist |
0.000 |
-0.195 |
-0.076 |
0.000 |
-0.000 |
0.056 |
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 |
2.028 |
0.000 |
0.000 |
0.058 |
0.000 |
0.000 |
Slide |
0.000 |
4.833 |
0.416 |
0.000 |
-0.030 |
-0.051 |
Rise |
0.000 |
0.416 |
5.517 |
0.000 |
-0.148 |
-0.157 |
Tilt |
0.058 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.148 |
0.000 |
0.016 |
0.002 |
Twist |
0.000 |
-0.051 |
-0.157 |
0.000 |
0.002 |
0.058 |
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 |
1.962 |
0.000 |
0.000 |
0.056 |
0.000 |
0.000 |
Slide |
0.000 |
5.903 |
0.462 |
0.000 |
-0.072 |
-0.169 |
Rise |
0.000 |
0.462 |
6.167 |
0.000 |
-0.109 |
-0.117 |
Tilt |
0.056 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.072 |
-0.109 |
0.000 |
0.015 |
0.001 |
Twist |
0.000 |
-0.169 |
-0.117 |
0.000 |
0.001 |
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 |
2.059 |
0.000 |
0.000 |
0.049 |
0.000 |
0.000 |
Slide |
0.000 |
5.734 |
0.392 |
0.000 |
-0.054 |
-0.151 |
Rise |
0.000 |
0.392 |
5.184 |
0.000 |
-0.103 |
-0.100 |
Tilt |
0.049 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.103 |
0.000 |
0.015 |
-0.000 |
Twist |
0.000 |
-0.151 |
-0.100 |
0.000 |
-0.000 |
0.056 |
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)