| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.705 |
0.846 |
0.631 |
-0.045 |
0.020 |
0.057 |
Slide |
0.846 |
3.690 |
1.414 |
-0.054 |
-0.068 |
-0.164 |
Rise |
0.631 |
1.414 |
11.072 |
-0.286 |
-0.018 |
-0.216 |
Tilt |
-0.045 |
-0.054 |
-0.286 |
0.050 |
0.001 |
0.010 |
Roll |
0.020 |
-0.068 |
-0.018 |
0.001 |
0.022 |
0.009 |
Twist |
0.057 |
-0.164 |
-0.216 |
0.010 |
0.009 |
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 |
1.786 |
0.162 |
0.144 |
-0.060 |
0.015 |
0.006 |
Slide |
0.162 |
4.190 |
3.245 |
0.013 |
0.002 |
-0.148 |
Rise |
0.144 |
3.245 |
11.220 |
0.059 |
0.046 |
-0.259 |
Tilt |
-0.060 |
0.013 |
0.059 |
0.048 |
0.007 |
0.004 |
Roll |
0.015 |
0.002 |
0.046 |
0.007 |
0.029 |
0.008 |
Twist |
0.006 |
-0.148 |
-0.259 |
0.004 |
0.008 |
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 |
1.566 |
-0.265 |
0.552 |
-0.074 |
0.058 |
0.081 |
Slide |
-0.265 |
2.271 |
1.843 |
-0.018 |
-0.066 |
-0.064 |
Rise |
0.552 |
1.843 |
9.296 |
-0.271 |
-0.067 |
-0.206 |
Tilt |
-0.074 |
-0.018 |
-0.271 |
0.049 |
0.004 |
0.007 |
Roll |
0.058 |
-0.066 |
-0.067 |
0.004 |
0.024 |
0.010 |
Twist |
0.081 |
-0.064 |
-0.206 |
0.007 |
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 |
1.711 |
0.415 |
0.303 |
-0.055 |
0.032 |
0.064 |
Slide |
0.415 |
2.707 |
1.830 |
-0.020 |
-0.064 |
-0.096 |
Rise |
0.303 |
1.830 |
8.415 |
-0.225 |
-0.045 |
-0.190 |
Tilt |
-0.055 |
-0.020 |
-0.225 |
0.046 |
0.002 |
0.008 |
Roll |
0.032 |
-0.064 |
-0.045 |
0.002 |
0.025 |
0.007 |
Twist |
0.064 |
-0.096 |
-0.190 |
0.008 |
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 |
1.568 |
0.543 |
0.360 |
-0.058 |
0.034 |
0.076 |
Slide |
0.543 |
2.705 |
1.834 |
-0.024 |
-0.043 |
-0.112 |
Rise |
0.360 |
1.834 |
9.567 |
-0.246 |
-0.002 |
-0.195 |
Tilt |
-0.058 |
-0.024 |
-0.246 |
0.049 |
-0.001 |
0.007 |
Roll |
0.034 |
-0.043 |
-0.002 |
-0.001 |
0.022 |
0.006 |
Twist |
0.076 |
-0.112 |
-0.195 |
0.007 |
0.006 |
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 |
0.791 |
-0.098 |
0.498 |
-0.075 |
-0.004 |
-0.017 |
Slide |
-0.098 |
2.959 |
0.482 |
-0.013 |
0.018 |
-0.124 |
Rise |
0.498 |
0.482 |
8.445 |
-0.004 |
-0.099 |
-0.226 |
Tilt |
-0.075 |
-0.013 |
-0.004 |
0.030 |
-0.002 |
-0.000 |
Roll |
-0.004 |
0.018 |
-0.099 |
-0.002 |
0.019 |
0.010 |
Twist |
-0.017 |
-0.124 |
-0.226 |
-0.000 |
0.010 |
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 |
0.994 |
-0.268 |
0.377 |
-0.069 |
0.006 |
-0.025 |
Slide |
-0.268 |
2.890 |
0.615 |
-0.017 |
0.017 |
-0.115 |
Rise |
0.376 |
0.615 |
8.679 |
-0.008 |
-0.130 |
-0.234 |
Tilt |
-0.069 |
-0.017 |
-0.008 |
0.031 |
-0.001 |
0.000 |
Roll |
0.006 |
0.017 |
-0.130 |
-0.001 |
0.021 |
0.011 |
Twist |
-0.025 |
-0.115 |
-0.234 |
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 |
1.143 |
0.173 |
-0.157 |
-0.113 |
-0.000 |
0.004 |
Slide |
0.173 |
3.320 |
0.544 |
0.012 |
0.013 |
-0.113 |
Rise |
-0.157 |
0.544 |
8.575 |
0.024 |
-0.080 |
-0.268 |
Tilt |
-0.113 |
0.012 |
0.024 |
0.034 |
0.001 |
0.000 |
Roll |
-0.000 |
0.013 |
-0.080 |
0.001 |
0.020 |
0.007 |
Twist |
0.004 |
-0.113 |
-0.268 |
0.000 |
0.007 |
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 |
1.716 |
-0.764 |
-0.510 |
-0.057 |
-0.018 |
-0.083 |
Slide |
-0.764 |
2.975 |
1.687 |
-0.010 |
-0.033 |
-0.130 |
Rise |
-0.510 |
1.687 |
9.673 |
0.228 |
-0.023 |
-0.216 |
Tilt |
-0.057 |
-0.010 |
0.228 |
0.050 |
-0.003 |
-0.008 |
Roll |
-0.018 |
-0.033 |
-0.023 |
-0.003 |
0.022 |
0.009 |
Twist |
-0.083 |
-0.130 |
-0.216 |
-0.008 |
0.009 |
0.045 |
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 |
1.816 |
0.754 |
1.089 |
-0.116 |
0.025 |
-0.023 |
Slide |
0.754 |
2.541 |
1.148 |
0.012 |
-0.017 |
-0.153 |
Rise |
1.089 |
1.148 |
10.940 |
-0.345 |
0.004 |
-0.180 |
Tilt |
-0.116 |
0.012 |
-0.345 |
0.049 |
-0.004 |
0.002 |
Roll |
0.025 |
-0.017 |
0.004 |
-0.004 |
0.025 |
0.008 |
Twist |
-0.023 |
-0.153 |
-0.180 |
0.002 |
0.008 |
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 |
1.161 |
0.436 |
0.721 |
-0.100 |
0.015 |
-0.001 |
Slide |
0.436 |
2.735 |
0.877 |
0.022 |
-0.034 |
-0.124 |
Rise |
0.721 |
0.877 |
11.255 |
-0.360 |
0.006 |
-0.157 |
Tilt |
-0.100 |
0.022 |
-0.360 |
0.049 |
-0.004 |
-0.000 |
Roll |
0.015 |
-0.034 |
0.006 |
-0.004 |
0.023 |
0.010 |
Twist |
-0.001 |
-0.124 |
-0.157 |
-0.000 |
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 |
1.994 |
-0.519 |
0.058 |
-0.117 |
-0.014 |
0.026 |
Slide |
-0.519 |
3.235 |
2.865 |
0.027 |
0.051 |
-0.067 |
Rise |
0.058 |
2.865 |
12.016 |
0.073 |
0.122 |
-0.227 |
Tilt |
-0.117 |
0.027 |
0.073 |
0.043 |
0.002 |
0.002 |
Roll |
-0.014 |
0.051 |
0.122 |
0.002 |
0.029 |
0.006 |
Twist |
0.026 |
-0.067 |
-0.227 |
0.002 |
0.006 |
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 |
1.201 |
0.120 |
0.200 |
-0.117 |
0.011 |
-0.002 |
Slide |
0.120 |
3.755 |
2.760 |
-0.011 |
0.079 |
-0.142 |
Rise |
0.200 |
2.760 |
11.754 |
-0.029 |
0.140 |
-0.260 |
Tilt |
-0.117 |
-0.011 |
-0.029 |
0.044 |
-0.000 |
-0.000 |
Roll |
0.011 |
0.079 |
0.140 |
-0.000 |
0.024 |
0.004 |
Twist |
-0.002 |
-0.142 |
-0.260 |
-0.000 |
0.004 |
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 |
2.168 |
0.242 |
0.749 |
-0.141 |
0.021 |
0.039 |
Slide |
0.242 |
1.897 |
1.653 |
0.028 |
-0.018 |
-0.096 |
Rise |
0.749 |
1.653 |
9.283 |
-0.251 |
-0.024 |
-0.156 |
Tilt |
-0.141 |
0.028 |
-0.251 |
0.049 |
-0.001 |
-0.002 |
Roll |
0.021 |
-0.018 |
-0.024 |
-0.001 |
0.023 |
0.008 |
Twist |
0.039 |
-0.096 |
-0.156 |
-0.002 |
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 |
0.776 |
-0.035 |
-0.357 |
-0.059 |
0.005 |
-0.002 |
Slide |
-0.035 |
2.915 |
0.576 |
0.001 |
0.020 |
-0.116 |
Rise |
-0.357 |
0.576 |
8.698 |
-0.018 |
-0.141 |
-0.257 |
Tilt |
-0.059 |
0.001 |
-0.018 |
0.029 |
0.001 |
0.000 |
Roll |
0.005 |
0.020 |
-0.141 |
0.001 |
0.021 |
0.011 |
Twist |
-0.002 |
-0.116 |
-0.257 |
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)