| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.862 |
0.000 |
0.000 |
-0.035 |
0.000 |
0.000 |
Slide |
0.000 |
3.936 |
3.190 |
0.000 |
0.026 |
-0.069 |
Rise |
0.000 |
3.190 |
11.458 |
0.000 |
0.095 |
-0.214 |
Tilt |
-0.035 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
0.095 |
0.000 |
0.027 |
0.011 |
Twist |
0.000 |
-0.069 |
-0.214 |
0.000 |
0.011 |
0.034 |
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 |
1.963 |
0.000 |
0.000 |
-0.017 |
0.000 |
0.000 |
Slide |
0.000 |
5.131 |
3.340 |
0.000 |
-0.076 |
-0.085 |
Rise |
0.000 |
3.340 |
11.511 |
0.000 |
0.042 |
-0.207 |
Tilt |
-0.017 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.076 |
0.042 |
0.000 |
0.031 |
0.013 |
Twist |
0.000 |
-0.085 |
-0.207 |
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 |
0.769 |
0.000 |
0.000 |
-0.092 |
0.000 |
0.000 |
Slide |
0.000 |
2.255 |
1.113 |
0.000 |
0.029 |
-0.101 |
Rise |
0.000 |
1.113 |
6.688 |
0.000 |
-0.082 |
-0.189 |
Tilt |
-0.092 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.029 |
-0.082 |
0.000 |
0.014 |
0.005 |
Twist |
0.000 |
-0.101 |
-0.189 |
0.000 |
0.005 |
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 |
0.723 |
0.000 |
0.000 |
-0.091 |
0.000 |
0.000 |
Slide |
0.000 |
2.270 |
1.319 |
0.000 |
0.025 |
-0.090 |
Rise |
0.000 |
1.319 |
7.140 |
0.000 |
-0.065 |
-0.178 |
Tilt |
-0.091 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.025 |
-0.065 |
0.000 |
0.016 |
0.006 |
Twist |
0.000 |
-0.090 |
-0.178 |
0.000 |
0.006 |
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 |
1.213 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
1.746 |
1.845 |
0.000 |
0.009 |
-0.086 |
Rise |
0.000 |
1.845 |
7.790 |
0.000 |
-0.062 |
-0.228 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.062 |
0.000 |
0.021 |
0.004 |
Twist |
0.000 |
-0.086 |
-0.228 |
0.000 |
0.004 |
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 |
1.191 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
2.462 |
1.283 |
0.000 |
-0.040 |
-0.085 |
Rise |
0.000 |
1.283 |
6.361 |
0.000 |
-0.104 |
-0.207 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.104 |
0.000 |
0.014 |
0.004 |
Twist |
0.000 |
-0.085 |
-0.207 |
0.000 |
0.004 |
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 |
0.824 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
2.665 |
1.840 |
0.000 |
-0.062 |
-0.163 |
Rise |
0.000 |
1.840 |
9.078 |
0.000 |
0.005 |
-0.156 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
0.005 |
0.000 |
0.022 |
0.004 |
Twist |
0.000 |
-0.163 |
-0.156 |
0.000 |
0.004 |
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 |
1.311 |
0.000 |
0.000 |
-0.140 |
0.000 |
0.000 |
Slide |
0.000 |
2.860 |
2.976 |
0.000 |
0.057 |
-0.089 |
Rise |
0.000 |
2.976 |
11.683 |
0.000 |
0.123 |
-0.249 |
Tilt |
-0.140 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
0.057 |
0.123 |
0.000 |
0.026 |
0.005 |
Twist |
0.000 |
-0.089 |
-0.249 |
0.000 |
0.005 |
0.041 |
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 |
1.214 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
1.805 |
1.365 |
0.000 |
-0.044 |
-0.110 |
Rise |
0.000 |
1.365 |
8.772 |
0.000 |
-0.055 |
-0.148 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.055 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.110 |
-0.148 |
0.000 |
0.011 |
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 |
0.765 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
3.048 |
0.514 |
0.000 |
0.017 |
-0.132 |
Rise |
0.000 |
0.514 |
8.969 |
0.000 |
-0.138 |
-0.247 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
-0.138 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.132 |
-0.247 |
0.000 |
0.011 |
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)