| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.482 |
0.000 |
0.000 |
-0.033 |
0.000 |
0.000 |
Slide |
0.000 |
5.502 |
2.970 |
0.000 |
-0.047 |
-0.178 |
Rise |
0.000 |
2.970 |
11.308 |
0.000 |
0.045 |
-0.168 |
Tilt |
-0.033 |
0.000 |
0.000 |
0.051 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
0.045 |
0.000 |
0.034 |
0.011 |
Twist |
0.000 |
-0.178 |
-0.168 |
0.000 |
0.011 |
0.065 |
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 |
0.636 |
0.000 |
0.000 |
-0.071 |
0.000 |
0.000 |
Slide |
0.000 |
2.437 |
0.700 |
0.000 |
0.017 |
-0.105 |
Rise |
0.000 |
0.700 |
4.841 |
0.000 |
0.005 |
-0.054 |
Tilt |
-0.071 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
0.005 |
0.000 |
0.010 |
-0.000 |
Twist |
0.000 |
-0.105 |
-0.054 |
0.000 |
-0.000 |
0.011 |
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 |
0.824 |
0.000 |
0.000 |
-0.113 |
0.000 |
0.000 |
Slide |
0.000 |
3.029 |
1.627 |
0.000 |
-0.044 |
-0.096 |
Rise |
0.000 |
1.627 |
9.221 |
0.000 |
-0.028 |
-0.155 |
Tilt |
-0.113 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.028 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.096 |
-0.155 |
0.000 |
0.010 |
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 |
0.822 |
0.000 |
0.000 |
-0.014 |
0.000 |
0.000 |
Slide |
0.000 |
1.086 |
0.459 |
0.000 |
-0.028 |
-0.071 |
Rise |
0.000 |
0.459 |
3.820 |
0.000 |
-0.027 |
-0.115 |
Tilt |
-0.014 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
Roll |
0.000 |
-0.028 |
-0.027 |
0.000 |
0.016 |
0.003 |
Twist |
0.000 |
-0.071 |
-0.115 |
0.000 |
0.003 |
0.020 |
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 |
1.308 |
0.000 |
0.000 |
-0.101 |
0.000 |
0.000 |
Slide |
0.000 |
1.773 |
1.718 |
0.000 |
0.003 |
-0.106 |
Rise |
0.000 |
1.718 |
7.203 |
0.000 |
-0.021 |
-0.166 |
Tilt |
-0.101 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.021 |
0.000 |
0.019 |
0.004 |
Twist |
0.000 |
-0.106 |
-0.166 |
0.000 |
0.004 |
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 |
0.943 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
3.348 |
2.775 |
0.000 |
0.034 |
-0.069 |
Rise |
0.000 |
2.775 |
10.374 |
0.000 |
0.078 |
-0.175 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.034 |
0.078 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.069 |
-0.175 |
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 |
1.113 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
4.068 |
3.243 |
0.000 |
0.038 |
-0.134 |
Rise |
0.000 |
3.243 |
11.823 |
0.000 |
0.143 |
-0.216 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.038 |
0.144 |
0.000 |
0.027 |
0.009 |
Twist |
0.000 |
-0.134 |
-0.216 |
0.000 |
0.009 |
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 |
0.731 |
0.000 |
0.000 |
-0.076 |
0.000 |
0.000 |
Slide |
0.000 |
2.372 |
1.203 |
0.000 |
-0.050 |
-0.123 |
Rise |
0.000 |
1.203 |
7.969 |
0.000 |
-0.064 |
-0.179 |
Tilt |
-0.076 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.050 |
-0.064 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.123 |
-0.179 |
0.000 |
0.010 |
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 |
0.659 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
3.027 |
0.593 |
0.000 |
0.014 |
-0.125 |
Rise |
0.000 |
0.593 |
8.399 |
0.000 |
-0.132 |
-0.248 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.132 |
0.000 |
0.020 |
0.010 |
Twist |
0.000 |
-0.125 |
-0.248 |
0.000 |
0.010 |
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 |
0.863 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
2.198 |
1.489 |
0.000 |
0.011 |
-0.101 |
Rise |
0.000 |
1.489 |
6.942 |
0.000 |
-0.097 |
-0.222 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.097 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.101 |
-0.222 |
0.000 |
0.009 |
0.022 |
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 |
1.269 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.739 |
1.246 |
0.000 |
-0.058 |
-0.163 |
Rise |
0.000 |
1.246 |
8.437 |
0.000 |
-0.040 |
-0.170 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.058 |
-0.040 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.163 |
-0.170 |
0.000 |
0.008 |
0.033 |
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 |
1.003 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
2.791 |
1.051 |
0.000 |
-0.054 |
-0.182 |
Rise |
0.000 |
1.051 |
8.858 |
0.000 |
-0.016 |
-0.153 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.016 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.182 |
-0.153 |
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)