| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.924 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
2.089 |
1.323 |
0.000 |
-0.042 |
-0.125 |
Rise |
0.000 |
1.323 |
7.130 |
0.000 |
-0.029 |
-0.179 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.029 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.125 |
-0.179 |
0.000 |
0.007 |
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 |
1.338 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Slide |
0.000 |
4.157 |
3.208 |
0.000 |
-0.050 |
-0.099 |
Rise |
0.000 |
3.208 |
10.532 |
0.000 |
0.042 |
-0.183 |
Tilt |
0.036 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.050 |
0.042 |
0.000 |
0.028 |
0.013 |
Twist |
0.000 |
-0.099 |
-0.183 |
0.000 |
0.013 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.303 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Slide |
0.000 |
3.770 |
2.781 |
0.000 |
-0.053 |
-0.092 |
Rise |
0.000 |
2.781 |
9.764 |
0.000 |
0.067 |
-0.151 |
Tilt |
0.036 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
0.067 |
0.000 |
0.027 |
0.013 |
Twist |
0.000 |
-0.092 |
-0.151 |
0.000 |
0.013 |
0.039 |
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 |
1.147 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Slide |
0.000 |
3.971 |
2.717 |
0.000 |
-0.047 |
-0.066 |
Rise |
0.000 |
2.717 |
10.064 |
0.000 |
0.055 |
-0.152 |
Tilt |
0.036 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
0.055 |
0.000 |
0.026 |
0.011 |
Twist |
0.000 |
-0.066 |
-0.152 |
0.000 |
0.011 |
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 |
1.191 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Slide |
0.000 |
3.981 |
2.867 |
0.000 |
-0.054 |
-0.081 |
Rise |
0.000 |
2.867 |
10.356 |
0.000 |
0.039 |
-0.170 |
Tilt |
0.039 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
0.039 |
0.000 |
0.027 |
0.014 |
Twist |
0.000 |
-0.081 |
-0.170 |
0.000 |
0.014 |
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 |
1.385 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Slide |
0.000 |
3.888 |
2.737 |
0.000 |
-0.058 |
-0.092 |
Rise |
0.000 |
2.737 |
9.907 |
0.000 |
0.060 |
-0.149 |
Tilt |
0.033 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.058 |
0.060 |
0.000 |
0.028 |
0.013 |
Twist |
0.000 |
-0.092 |
-0.149 |
0.000 |
0.013 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.346 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Slide |
0.000 |
3.872 |
2.667 |
0.000 |
-0.079 |
-0.082 |
Rise |
0.000 |
2.667 |
9.503 |
0.000 |
0.023 |
-0.174 |
Tilt |
0.033 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.079 |
0.023 |
0.000 |
0.027 |
0.011 |
Twist |
0.000 |
-0.082 |
-0.174 |
0.000 |
0.011 |
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 |
0.949 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
2.184 |
1.447 |
0.000 |
-0.049 |
-0.132 |
Rise |
0.000 |
1.447 |
7.219 |
0.000 |
-0.020 |
-0.188 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.020 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.132 |
-0.188 |
0.000 |
0.007 |
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 |
0.929 |
0.000 |
0.000 |
-0.006 |
0.000 |
0.000 |
Slide |
0.000 |
1.844 |
1.011 |
0.000 |
-0.002 |
-0.115 |
Rise |
0.000 |
1.011 |
5.646 |
0.000 |
-0.071 |
-0.182 |
Tilt |
-0.006 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
-0.071 |
0.000 |
0.015 |
0.011 |
Twist |
0.000 |
-0.115 |
-0.182 |
0.000 |
0.011 |
0.031 |
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 |
0.861 |
0.000 |
0.000 |
-0.006 |
0.000 |
0.000 |
Slide |
0.000 |
1.837 |
1.055 |
0.000 |
-0.001 |
-0.115 |
Rise |
0.000 |
1.055 |
5.902 |
0.000 |
-0.070 |
-0.193 |
Tilt |
-0.006 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.070 |
0.000 |
0.016 |
0.012 |
Twist |
0.000 |
-0.115 |
-0.193 |
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 |
0.712 |
0.000 |
0.000 |
-0.016 |
0.000 |
0.000 |
Slide |
0.000 |
1.368 |
0.776 |
0.000 |
0.019 |
-0.046 |
Rise |
0.000 |
0.776 |
6.253 |
0.000 |
-0.086 |
-0.195 |
Tilt |
-0.016 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
-0.086 |
0.000 |
0.017 |
0.011 |
Twist |
0.000 |
-0.046 |
-0.195 |
0.000 |
0.011 |
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 |
0.689 |
0.000 |
0.000 |
-0.020 |
0.000 |
0.000 |
Slide |
0.000 |
1.528 |
0.874 |
0.000 |
0.011 |
-0.072 |
Rise |
0.000 |
0.874 |
6.075 |
0.000 |
-0.087 |
-0.201 |
Tilt |
-0.020 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.087 |
0.000 |
0.016 |
0.011 |
Twist |
0.000 |
-0.072 |
-0.201 |
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 |
0.919 |
0.000 |
0.000 |
-0.009 |
0.000 |
0.000 |
Slide |
0.000 |
1.925 |
1.061 |
0.000 |
-0.002 |
-0.121 |
Rise |
0.000 |
1.061 |
5.777 |
0.000 |
-0.070 |
-0.185 |
Tilt |
-0.009 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
-0.070 |
0.000 |
0.015 |
0.011 |
Twist |
0.000 |
-0.121 |
-0.185 |
0.000 |
0.011 |
0.031 |
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 |
0.925 |
0.000 |
0.000 |
-0.009 |
0.000 |
0.000 |
Slide |
0.000 |
2.063 |
1.221 |
0.000 |
-0.002 |
-0.138 |
Rise |
0.000 |
1.221 |
5.718 |
0.000 |
-0.061 |
-0.199 |
Tilt |
-0.009 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
-0.061 |
0.000 |
0.015 |
0.011 |
Twist |
0.000 |
-0.138 |
-0.199 |
0.000 |
0.011 |
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 |
0.896 |
0.000 |
0.000 |
-0.007 |
0.000 |
0.000 |
Slide |
0.000 |
1.976 |
1.054 |
0.000 |
-0.002 |
-0.124 |
Rise |
0.000 |
1.054 |
5.583 |
0.000 |
-0.069 |
-0.176 |
Tilt |
-0.007 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
-0.069 |
0.000 |
0.015 |
0.011 |
Twist |
0.000 |
-0.124 |
-0.176 |
0.000 |
0.011 |
0.031 |
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)