| Shift | Slide | Rise | Tilt | Roll | Twist |
| Shift |
1.446 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
| Slide |
0.000 |
3.063 |
1.378 |
0.000 |
-0.057 |
-0.190 |
| Rise |
0.000 |
1.378 |
8.165 |
0.000 |
-0.052 |
-0.160 |
| Tilt |
-0.070 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.057 |
-0.052 |
0.000 |
0.025 |
0.006 |
| Twist |
0.000 |
-0.190 |
-0.160 |
0.000 |
0.006 |
0.040 |
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 |
2.318 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
| Slide |
0.000 |
5.579 |
2.977 |
0.000 |
-0.017 |
-0.207 |
| Rise |
0.000 |
2.977 |
11.118 |
0.000 |
0.046 |
-0.161 |
| Tilt |
0.002 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.017 |
0.046 |
0.000 |
0.036 |
0.006 |
| Twist |
0.000 |
-0.207 |
-0.161 |
0.000 |
0.006 |
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 |
0.943 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
| Slide |
0.000 |
2.587 |
0.495 |
0.000 |
0.005 |
-0.116 |
| Rise |
0.000 |
0.496 |
7.852 |
0.000 |
-0.085 |
-0.232 |
| Tilt |
-0.108 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
| Roll |
0.000 |
0.005 |
-0.085 |
0.000 |
0.016 |
0.007 |
| Twist |
0.000 |
-0.116 |
-0.232 |
0.000 |
0.007 |
0.023 |
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 |
0.950 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
| Slide |
0.000 |
2.684 |
0.505 |
0.000 |
0.017 |
-0.121 |
| Rise |
0.000 |
0.505 |
8.139 |
0.000 |
-0.092 |
-0.243 |
| Tilt |
-0.111 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
| Roll |
0.000 |
0.017 |
-0.092 |
0.000 |
0.017 |
0.007 |
| Twist |
0.000 |
-0.121 |
-0.243 |
0.000 |
0.007 |
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 |
0.790 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
| Slide |
0.000 |
2.042 |
1.400 |
0.000 |
-0.037 |
-0.127 |
| Rise |
0.000 |
1.400 |
7.768 |
0.000 |
-0.051 |
-0.177 |
| Tilt |
-0.077 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.037 |
-0.051 |
0.000 |
0.022 |
0.009 |
| Twist |
0.000 |
-0.127 |
-0.177 |
0.000 |
0.009 |
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 |
1.104 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
| Slide |
0.000 |
3.212 |
2.296 |
0.000 |
0.067 |
-0.074 |
| Rise |
0.000 |
2.296 |
10.756 |
0.000 |
0.134 |
-0.192 |
| Tilt |
-0.119 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
| Roll |
0.000 |
0.067 |
0.134 |
0.000 |
0.024 |
0.005 |
| Twist |
0.000 |
-0.074 |
-0.192 |
0.000 |
0.005 |
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 |
1.092 |
0.000 |
0.000 |
-0.117 |
0.000 |
0.000 |
| Slide |
0.000 |
3.144 |
2.267 |
0.000 |
0.069 |
-0.079 |
| Rise |
0.000 |
2.267 |
11.024 |
0.000 |
0.139 |
-0.199 |
| Tilt |
-0.117 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
| Roll |
0.000 |
0.069 |
0.139 |
0.000 |
0.024 |
0.005 |
| Twist |
0.000 |
-0.079 |
-0.199 |
0.000 |
0.005 |
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 |
0.785 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
| Slide |
0.000 |
2.106 |
1.410 |
0.000 |
-0.042 |
-0.132 |
| Rise |
0.000 |
1.410 |
7.883 |
0.000 |
-0.050 |
-0.176 |
| Tilt |
-0.080 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.042 |
-0.050 |
0.000 |
0.022 |
0.010 |
| Twist |
0.000 |
-0.132 |
-0.176 |
0.000 |
0.010 |
0.029 |
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 |
1.439 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
| Slide |
0.000 |
3.075 |
1.408 |
0.000 |
-0.070 |
-0.189 |
| Rise |
0.000 |
1.408 |
7.645 |
0.000 |
-0.050 |
-0.154 |
| Tilt |
-0.063 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.070 |
-0.050 |
0.000 |
0.024 |
0.007 |
| Twist |
0.000 |
-0.189 |
-0.154 |
0.000 |
0.007 |
0.042 |
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)