| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.642 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
2.456 |
-0.288 |
0.000 |
0.015 |
-0.036 |
Rise |
0.000 |
-0.288 |
8.407 |
0.000 |
-0.154 |
-0.228 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.154 |
0.000 |
0.024 |
0.007 |
Twist |
0.000 |
-0.036 |
-0.228 |
0.000 |
0.007 |
0.017 |
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 |
0.441 |
0.000 |
0.000 |
-0.015 |
0.000 |
0.000 |
Slide |
0.000 |
1.089 |
0.570 |
0.000 |
-0.009 |
-0.002 |
Rise |
0.000 |
0.570 |
4.563 |
0.000 |
-0.050 |
-0.085 |
Tilt |
-0.015 |
0.000 |
0.000 |
0.015 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
-0.050 |
0.000 |
0.007 |
0.000 |
Twist |
0.000 |
-0.002 |
-0.085 |
0.000 |
0.000 |
0.009 |
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 |
1.566 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
2.787 |
0.111 |
0.000 |
0.004 |
-0.066 |
Rise |
0.000 |
0.111 |
8.817 |
0.000 |
-0.156 |
-0.259 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.156 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.066 |
-0.259 |
0.000 |
0.008 |
0.019 |
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 |
1.715 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
2.596 |
-0.217 |
0.000 |
0.012 |
-0.043 |
Rise |
0.000 |
-0.217 |
8.774 |
0.000 |
-0.148 |
-0.249 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.148 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.043 |
-0.249 |
0.000 |
0.007 |
0.019 |
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 |
0.979 |
0.000 |
0.000 |
-0.096 |
0.000 |
0.000 |
Slide |
0.000 |
2.159 |
1.602 |
0.000 |
0.003 |
-0.208 |
Rise |
0.000 |
1.602 |
7.960 |
0.000 |
-0.018 |
-0.173 |
Tilt |
-0.096 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.018 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.208 |
-0.173 |
0.000 |
0.008 |
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 |
1.010 |
0.000 |
0.000 |
-0.092 |
0.000 |
0.000 |
Slide |
0.000 |
2.143 |
1.628 |
0.000 |
-0.004 |
-0.224 |
Rise |
0.000 |
1.628 |
7.878 |
0.000 |
-0.024 |
-0.192 |
Tilt |
-0.092 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.024 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.224 |
-0.192 |
0.000 |
0.009 |
0.046 |
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 |
1.007 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
2.270 |
1.618 |
0.000 |
0.004 |
-0.222 |
Rise |
0.000 |
1.618 |
7.905 |
0.000 |
-0.027 |
-0.165 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.027 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.222 |
-0.165 |
0.000 |
0.008 |
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 |
1.523 |
0.000 |
0.000 |
-0.023 |
0.000 |
0.000 |
Slide |
0.000 |
4.542 |
2.779 |
0.000 |
-0.013 |
-0.185 |
Rise |
0.000 |
2.779 |
9.802 |
0.000 |
0.062 |
-0.183 |
Tilt |
-0.023 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.013 |
0.062 |
0.000 |
0.031 |
0.010 |
Twist |
0.000 |
-0.185 |
-0.183 |
0.000 |
0.010 |
0.052 |
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 |
1.250 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
3.640 |
2.599 |
0.000 |
0.031 |
-0.166 |
Rise |
0.000 |
2.599 |
9.417 |
0.000 |
0.096 |
-0.210 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.031 |
0.096 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.166 |
-0.210 |
0.000 |
0.010 |
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 |
1.144 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
3.788 |
2.764 |
0.000 |
0.013 |
-0.102 |
Rise |
0.000 |
2.764 |
9.872 |
0.000 |
0.067 |
-0.210 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
0.067 |
0.000 |
0.029 |
0.013 |
Twist |
0.000 |
-0.102 |
-0.210 |
0.000 |
0.013 |
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 |
1.527 |
0.000 |
0.000 |
-0.026 |
0.000 |
0.000 |
Slide |
0.000 |
4.638 |
3.004 |
0.000 |
-0.003 |
-0.178 |
Rise |
0.000 |
3.004 |
9.714 |
0.000 |
0.074 |
-0.177 |
Tilt |
-0.026 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
0.074 |
0.000 |
0.030 |
0.009 |
Twist |
0.000 |
-0.178 |
-0.177 |
0.000 |
0.009 |
0.049 |
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 |
0.930 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
Slide |
0.000 |
2.778 |
1.252 |
0.000 |
-0.054 |
-0.181 |
Rise |
0.000 |
1.252 |
8.079 |
0.000 |
-0.024 |
-0.160 |
Tilt |
-0.090 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.024 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.181 |
-0.160 |
0.000 |
0.012 |
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 |
0.965 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
2.687 |
1.235 |
0.000 |
-0.051 |
-0.170 |
Rise |
0.000 |
1.235 |
8.330 |
0.000 |
-0.030 |
-0.169 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.030 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.170 |
-0.169 |
0.000 |
0.012 |
0.037 |
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 |
0.972 |
0.000 |
0.000 |
-0.097 |
0.000 |
0.000 |
Slide |
0.000 |
2.889 |
1.218 |
0.000 |
-0.057 |
-0.190 |
Rise |
0.000 |
1.219 |
8.336 |
0.000 |
-0.027 |
-0.168 |
Tilt |
-0.097 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.027 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.190 |
-0.168 |
0.000 |
0.012 |
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 |
0.966 |
0.000 |
0.000 |
-0.036 |
0.000 |
0.000 |
Slide |
0.000 |
1.707 |
0.910 |
0.000 |
0.008 |
-0.049 |
Rise |
0.000 |
0.910 |
5.958 |
0.000 |
-0.069 |
-0.171 |
Tilt |
-0.036 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.069 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.049 |
-0.171 |
0.000 |
0.007 |
0.017 |
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)