| Shift | Slide | Rise | Tilt | Roll | Twist |
| Shift |
1.768 |
0.000 |
0.000 |
-0.023 |
0.000 |
0.000 |
| Slide |
0.000 |
3.432 |
1.394 |
0.000 |
-0.096 |
-0.247 |
| Rise |
0.000 |
1.394 |
7.164 |
0.000 |
-0.069 |
-0.147 |
| Tilt |
-0.023 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.096 |
-0.069 |
0.000 |
0.027 |
0.010 |
| Twist |
0.000 |
-0.247 |
-0.147 |
0.000 |
0.010 |
0.048 |
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 |
1.885 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
| Slide |
0.000 |
4.934 |
2.607 |
0.000 |
-0.048 |
-0.236 |
| Rise |
0.000 |
2.607 |
9.605 |
0.000 |
0.018 |
-0.152 |
| Tilt |
0.017 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.048 |
0.018 |
0.000 |
0.034 |
0.008 |
| Twist |
0.000 |
-0.236 |
-0.152 |
0.000 |
0.008 |
0.069 |
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 |
1.173 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
| Slide |
0.000 |
1.812 |
0.514 |
0.000 |
0.003 |
-0.053 |
| Rise |
0.000 |
0.514 |
6.623 |
0.000 |
-0.074 |
-0.206 |
| Tilt |
-0.119 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
| Roll |
0.000 |
0.003 |
-0.074 |
0.000 |
0.016 |
0.007 |
| Twist |
0.000 |
-0.053 |
-0.206 |
0.000 |
0.007 |
0.016 |
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 |
1.162 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
| Slide |
0.000 |
1.802 |
0.585 |
0.000 |
0.004 |
-0.057 |
| Rise |
0.000 |
0.584 |
6.491 |
0.000 |
-0.067 |
-0.205 |
| Tilt |
-0.107 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
| Roll |
0.000 |
0.004 |
-0.067 |
0.000 |
0.017 |
0.007 |
| Twist |
0.000 |
-0.057 |
-0.205 |
0.000 |
0.007 |
0.016 |
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 |
0.948 |
0.000 |
0.000 |
-0.068 |
0.000 |
0.000 |
| Slide |
0.000 |
1.612 |
1.238 |
0.000 |
-0.040 |
-0.111 |
| Rise |
0.000 |
1.238 |
6.763 |
0.000 |
-0.044 |
-0.175 |
| Tilt |
-0.068 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.040 |
-0.044 |
0.000 |
0.023 |
0.012 |
| Twist |
0.000 |
-0.111 |
-0.175 |
0.000 |
0.012 |
0.026 |
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 |
1.252 |
0.000 |
0.000 |
-0.104 |
0.000 |
0.000 |
| Slide |
0.000 |
3.606 |
2.107 |
0.000 |
0.071 |
-0.144 |
| Rise |
0.000 |
2.107 |
9.672 |
0.000 |
0.127 |
-0.214 |
| Tilt |
-0.104 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
| Roll |
0.000 |
0.071 |
0.127 |
0.000 |
0.021 |
0.006 |
| Twist |
0.000 |
-0.144 |
-0.214 |
0.000 |
0.006 |
0.030 |
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 |
1.380 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
| Slide |
0.000 |
3.833 |
2.122 |
0.000 |
0.074 |
-0.173 |
| Rise |
0.000 |
2.122 |
9.155 |
0.000 |
0.113 |
-0.228 |
| Tilt |
-0.114 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
| Roll |
0.000 |
0.074 |
0.113 |
0.000 |
0.021 |
0.008 |
| Twist |
0.000 |
-0.173 |
-0.228 |
0.000 |
0.008 |
0.035 |
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 |
0.907 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
| Slide |
0.000 |
1.569 |
1.083 |
0.000 |
-0.039 |
-0.106 |
| Rise |
0.000 |
1.083 |
6.434 |
0.000 |
-0.052 |
-0.156 |
| Tilt |
-0.064 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.039 |
-0.052 |
0.000 |
0.022 |
0.011 |
| Twist |
0.000 |
-0.106 |
-0.156 |
0.000 |
0.011 |
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 |
1.772 |
0.000 |
0.000 |
-0.020 |
0.000 |
0.000 |
| Slide |
0.000 |
3.504 |
1.299 |
0.000 |
-0.096 |
-0.248 |
| Rise |
0.000 |
1.299 |
6.604 |
0.000 |
-0.063 |
-0.138 |
| Tilt |
-0.020 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.096 |
-0.063 |
0.000 |
0.026 |
0.009 |
| Twist |
0.000 |
-0.248 |
-0.138 |
0.000 |
0.009 |
0.047 |
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)