| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.744 |
0.373 |
0.733 |
-0.044 |
0.028 |
0.054 |
Slide |
0.373 |
2.535 |
1.112 |
-0.004 |
-0.071 |
-0.121 |
Rise |
0.733 |
1.112 |
9.831 |
-0.263 |
-0.034 |
-0.185 |
Tilt |
-0.044 |
-0.004 |
-0.263 |
0.047 |
-0.001 |
0.008 |
Roll |
0.028 |
-0.071 |
-0.034 |
-0.001 |
0.022 |
0.009 |
Twist |
0.054 |
-0.121 |
-0.185 |
0.008 |
0.009 |
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 |
1.514 |
0.677 |
0.536 |
-0.033 |
0.008 |
0.043 |
Slide |
0.677 |
2.682 |
1.165 |
-0.011 |
-0.083 |
-0.132 |
Rise |
0.536 |
1.164 |
9.166 |
-0.255 |
-0.049 |
-0.203 |
Tilt |
-0.033 |
-0.011 |
-0.255 |
0.046 |
0.001 |
0.010 |
Roll |
0.008 |
-0.083 |
-0.049 |
0.001 |
0.022 |
0.010 |
Twist |
0.043 |
-0.132 |
-0.203 |
0.010 |
0.010 |
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 |
1.561 |
0.399 |
0.509 |
-0.035 |
0.017 |
0.033 |
Slide |
0.399 |
2.492 |
1.641 |
-0.016 |
-0.053 |
-0.124 |
Rise |
0.509 |
1.641 |
8.933 |
-0.237 |
-0.056 |
-0.218 |
Tilt |
-0.035 |
-0.016 |
-0.237 |
0.043 |
0.001 |
0.008 |
Roll |
0.017 |
-0.053 |
-0.056 |
0.001 |
0.021 |
0.007 |
Twist |
0.033 |
-0.124 |
-0.218 |
0.008 |
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 |
1.481 |
-0.106 |
0.509 |
-0.076 |
0.051 |
0.085 |
Slide |
-0.106 |
1.929 |
1.553 |
0.006 |
-0.057 |
-0.104 |
Rise |
0.509 |
1.553 |
8.224 |
-0.202 |
-0.023 |
-0.174 |
Tilt |
-0.076 |
0.006 |
-0.202 |
0.045 |
0.003 |
0.007 |
Roll |
0.051 |
-0.057 |
-0.023 |
0.003 |
0.023 |
0.009 |
Twist |
0.085 |
-0.104 |
-0.174 |
0.007 |
0.009 |
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 |
1.086 |
-0.140 |
0.007 |
0.018 |
0.021 |
0.012 |
Slide |
-0.140 |
4.325 |
2.586 |
-0.007 |
-0.035 |
-0.061 |
Rise |
0.007 |
2.586 |
11.653 |
-0.000 |
0.106 |
-0.114 |
Tilt |
0.018 |
-0.007 |
-0.000 |
0.041 |
0.001 |
-0.001 |
Roll |
0.021 |
-0.035 |
0.106 |
0.001 |
0.025 |
0.010 |
Twist |
0.012 |
-0.061 |
-0.114 |
-0.001 |
0.010 |
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 |
1.507 |
-0.646 |
-0.438 |
-0.053 |
-0.034 |
-0.072 |
Slide |
-0.646 |
2.686 |
1.629 |
0.024 |
-0.030 |
-0.107 |
Rise |
-0.438 |
1.629 |
8.768 |
0.230 |
-0.048 |
-0.240 |
Tilt |
-0.053 |
0.024 |
0.230 |
0.048 |
-0.004 |
-0.012 |
Roll |
-0.034 |
-0.030 |
-0.048 |
-0.004 |
0.020 |
0.007 |
Twist |
-0.072 |
-0.107 |
-0.240 |
-0.012 |
0.007 |
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 |
1.494 |
-0.624 |
-0.370 |
-0.051 |
-0.025 |
-0.081 |
Slide |
-0.624 |
2.396 |
1.581 |
0.004 |
-0.031 |
-0.077 |
Rise |
-0.370 |
1.581 |
9.190 |
0.180 |
-0.044 |
-0.224 |
Tilt |
-0.051 |
0.004 |
0.180 |
0.045 |
-0.003 |
-0.010 |
Roll |
-0.025 |
-0.031 |
-0.044 |
-0.003 |
0.020 |
0.007 |
Twist |
-0.081 |
-0.077 |
-0.224 |
-0.010 |
0.007 |
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 |
2.229 |
-0.072 |
-0.108 |
-0.108 |
-0.007 |
-0.025 |
Slide |
-0.072 |
3.104 |
2.865 |
0.050 |
0.029 |
-0.097 |
Rise |
-0.108 |
2.865 |
11.730 |
0.050 |
0.146 |
-0.217 |
Tilt |
-0.108 |
0.050 |
0.050 |
0.041 |
0.002 |
-0.002 |
Roll |
-0.007 |
0.029 |
0.146 |
0.002 |
0.030 |
0.006 |
Twist |
-0.025 |
-0.097 |
-0.217 |
-0.002 |
0.006 |
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 |
1.595 |
0.486 |
0.033 |
-0.126 |
0.001 |
-0.024 |
Slide |
0.486 |
2.802 |
2.384 |
0.027 |
0.049 |
-0.062 |
Rise |
0.033 |
2.384 |
11.105 |
-0.020 |
0.112 |
-0.194 |
Tilt |
-0.126 |
0.027 |
-0.020 |
0.045 |
0.000 |
-0.002 |
Roll |
0.001 |
0.049 |
0.112 |
0.000 |
0.025 |
0.006 |
Twist |
-0.024 |
-0.062 |
-0.194 |
-0.002 |
0.006 |
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 |
1.743 |
0.274 |
0.756 |
-0.136 |
0.029 |
0.038 |
Slide |
0.274 |
1.705 |
1.505 |
0.022 |
0.001 |
-0.101 |
Rise |
0.756 |
1.505 |
8.919 |
-0.261 |
0.012 |
-0.151 |
Tilt |
-0.136 |
0.022 |
-0.261 |
0.049 |
-0.003 |
-0.001 |
Roll |
0.029 |
0.001 |
0.012 |
-0.003 |
0.022 |
0.004 |
Twist |
0.038 |
-0.101 |
-0.151 |
-0.001 |
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 |
0.473 |
0.097 |
-0.260 |
-0.054 |
0.003 |
-0.009 |
Slide |
0.097 |
2.272 |
0.934 |
0.006 |
0.007 |
-0.141 |
Rise |
-0.260 |
0.934 |
7.521 |
0.015 |
-0.085 |
-0.212 |
Tilt |
-0.054 |
0.006 |
0.015 |
0.025 |
-0.000 |
-0.000 |
Roll |
0.003 |
0.007 |
-0.085 |
-0.000 |
0.015 |
0.011 |
Twist |
-0.009 |
-0.141 |
-0.212 |
-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 |
0.474 |
-0.127 |
0.173 |
-0.050 |
0.002 |
0.000 |
Slide |
-0.127 |
1.831 |
1.052 |
-0.003 |
0.001 |
-0.112 |
Rise |
0.173 |
1.052 |
6.712 |
-0.016 |
-0.069 |
-0.182 |
Tilt |
-0.050 |
-0.003 |
-0.016 |
0.024 |
-0.001 |
-0.000 |
Roll |
0.002 |
0.001 |
-0.069 |
-0.001 |
0.013 |
0.008 |
Twist |
0.000 |
-0.112 |
-0.182 |
-0.000 |
0.008 |
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 |
0.779 |
-0.121 |
-0.315 |
-0.087 |
-0.003 |
0.027 |
Slide |
-0.121 |
2.607 |
0.866 |
0.025 |
0.019 |
-0.120 |
Rise |
-0.315 |
0.866 |
7.414 |
-0.005 |
-0.078 |
-0.221 |
Tilt |
-0.087 |
0.025 |
-0.005 |
0.029 |
0.003 |
-0.002 |
Roll |
-0.003 |
0.019 |
-0.078 |
0.003 |
0.016 |
0.008 |
Twist |
0.027 |
-0.120 |
-0.221 |
-0.002 |
0.008 |
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)