| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.601 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
3.219 |
1.490 |
0.000 |
-0.061 |
-0.212 |
Rise |
0.000 |
1.490 |
7.441 |
0.000 |
-0.049 |
-0.163 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.049 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.212 |
-0.163 |
0.000 |
0.007 |
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 |
2.175 |
0.000 |
0.000 |
-0.001 |
0.000 |
0.000 |
Slide |
0.000 |
4.730 |
2.799 |
0.000 |
0.002 |
-0.139 |
Rise |
0.000 |
2.799 |
10.511 |
0.000 |
0.066 |
-0.156 |
Tilt |
-0.001 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
0.066 |
0.000 |
0.033 |
0.001 |
Twist |
0.000 |
-0.139 |
-0.156 |
0.000 |
0.001 |
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 |
0.956 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
2.899 |
0.408 |
0.000 |
0.003 |
-0.127 |
Rise |
0.000 |
0.408 |
8.680 |
0.000 |
-0.096 |
-0.251 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.096 |
0.000 |
0.017 |
0.008 |
Twist |
0.000 |
-0.127 |
-0.251 |
0.000 |
0.008 |
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 |
0.914 |
0.000 |
0.000 |
-0.113 |
0.000 |
0.000 |
Slide |
0.000 |
3.169 |
0.419 |
0.000 |
0.006 |
-0.144 |
Rise |
0.000 |
0.419 |
8.601 |
0.000 |
-0.095 |
-0.254 |
Tilt |
-0.113 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.095 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.144 |
-0.254 |
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 |
0.773 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
1.986 |
1.365 |
0.000 |
-0.040 |
-0.124 |
Rise |
0.000 |
1.365 |
7.592 |
0.000 |
-0.032 |
-0.160 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.032 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.124 |
-0.160 |
0.000 |
0.010 |
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 |
1.171 |
0.000 |
0.000 |
-0.116 |
0.000 |
0.000 |
Slide |
0.000 |
3.145 |
2.562 |
0.000 |
0.072 |
-0.094 |
Rise |
0.000 |
2.562 |
11.507 |
0.000 |
0.131 |
-0.250 |
Tilt |
-0.116 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.072 |
0.131 |
0.000 |
0.027 |
0.007 |
Twist |
0.000 |
-0.094 |
-0.250 |
0.000 |
0.007 |
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 |
1.258 |
0.000 |
0.000 |
-0.127 |
0.000 |
0.000 |
Slide |
0.000 |
2.974 |
2.184 |
0.000 |
0.063 |
-0.094 |
Rise |
0.000 |
2.184 |
11.146 |
0.000 |
0.149 |
-0.238 |
Tilt |
-0.127 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.063 |
0.149 |
0.000 |
0.028 |
0.008 |
Twist |
0.000 |
-0.094 |
-0.238 |
0.000 |
0.008 |
0.037 |
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 |
0.778 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
2.097 |
1.518 |
0.000 |
-0.040 |
-0.122 |
Rise |
0.000 |
1.518 |
7.822 |
0.000 |
-0.056 |
-0.190 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.056 |
0.000 |
0.025 |
0.012 |
Twist |
0.000 |
-0.122 |
-0.190 |
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 |
1.488 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
3.173 |
1.386 |
0.000 |
-0.077 |
-0.193 |
Rise |
0.000 |
1.386 |
7.822 |
0.000 |
-0.058 |
-0.162 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.077 |
-0.058 |
0.000 |
0.027 |
0.010 |
Twist |
0.000 |
-0.193 |
-0.162 |
0.000 |
0.010 |
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)