| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.636 |
0.488 |
0.209 |
-0.020 |
0.005 |
0.041 |
Slide |
0.488 |
2.617 |
-0.593 |
0.068 |
-0.033 |
-0.129 |
Rise |
0.209 |
-0.593 |
7.418 |
-0.230 |
0.124 |
-0.031 |
Tilt |
-0.020 |
0.068 |
-0.230 |
0.044 |
-0.008 |
-0.003 |
Roll |
0.005 |
-0.033 |
0.124 |
-0.008 |
0.020 |
0.004 |
Twist |
0.041 |
-0.129 |
-0.031 |
-0.003 |
0.004 |
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 |
2.282 |
0.480 |
0.862 |
-0.046 |
0.039 |
-0.038 |
Slide |
0.480 |
5.043 |
1.592 |
-0.083 |
-0.018 |
-0.303 |
Rise |
0.862 |
1.592 |
8.150 |
-0.278 |
0.063 |
-0.209 |
Tilt |
-0.046 |
-0.083 |
-0.278 |
0.047 |
-0.006 |
0.012 |
Roll |
0.039 |
-0.018 |
0.063 |
-0.006 |
0.019 |
0.001 |
Twist |
-0.038 |
-0.303 |
-0.209 |
0.012 |
0.001 |
0.070 |
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 |
3.269 |
1.025 |
0.610 |
-0.000 |
0.027 |
-0.052 |
Slide |
1.025 |
4.813 |
0.591 |
-0.013 |
-0.003 |
-0.236 |
Rise |
0.610 |
0.591 |
10.109 |
-0.380 |
0.185 |
-0.068 |
Tilt |
-0.000 |
-0.013 |
-0.380 |
0.056 |
-0.010 |
0.004 |
Roll |
0.027 |
-0.003 |
0.185 |
-0.010 |
0.025 |
-0.001 |
Twist |
-0.052 |
-0.236 |
-0.068 |
0.004 |
-0.001 |
0.068 |
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 |
2.884 |
0.088 |
0.252 |
-0.039 |
0.021 |
0.059 |
Slide |
0.088 |
4.965 |
1.892 |
-0.054 |
0.005 |
-0.310 |
Rise |
0.252 |
1.892 |
4.376 |
-0.112 |
-0.028 |
-0.027 |
Tilt |
-0.039 |
-0.054 |
-0.112 |
0.032 |
0.002 |
0.004 |
Roll |
0.021 |
0.005 |
-0.028 |
0.002 |
0.028 |
0.003 |
Twist |
0.059 |
-0.310 |
-0.027 |
0.004 |
0.003 |
0.071 |
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 |
3.260 |
-0.110 |
0.879 |
-0.014 |
0.006 |
0.000 |
Slide |
-0.111 |
5.972 |
-0.045 |
-0.071 |
-0.096 |
-0.395 |
Rise |
0.879 |
-0.045 |
10.928 |
-0.283 |
0.012 |
-0.079 |
Tilt |
-0.014 |
-0.071 |
-0.283 |
0.040 |
0.000 |
0.004 |
Roll |
0.006 |
-0.096 |
0.012 |
0.000 |
0.033 |
0.009 |
Twist |
0.000 |
-0.395 |
-0.079 |
0.004 |
0.009 |
0.076 |
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 |
2.214 |
0.319 |
0.334 |
0.010 |
-0.009 |
0.067 |
Slide |
0.319 |
4.362 |
0.902 |
0.023 |
-0.083 |
-0.267 |
Rise |
0.334 |
0.902 |
8.246 |
-0.143 |
0.016 |
-0.184 |
Tilt |
0.010 |
0.023 |
-0.143 |
0.038 |
-0.002 |
0.006 |
Roll |
-0.009 |
-0.083 |
0.016 |
-0.002 |
0.021 |
0.005 |
Twist |
0.067 |
-0.267 |
-0.184 |
0.006 |
0.005 |
0.054 |
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 |
2.765 |
-0.161 |
0.183 |
-0.029 |
-0.016 |
0.015 |
Slide |
-0.161 |
4.558 |
1.905 |
-0.089 |
-0.177 |
-0.117 |
Rise |
0.183 |
1.905 |
12.500 |
-0.480 |
-0.196 |
-0.095 |
Tilt |
-0.029 |
-0.089 |
-0.480 |
0.066 |
0.008 |
-0.000 |
Roll |
-0.016 |
-0.177 |
-0.196 |
0.008 |
0.039 |
0.016 |
Twist |
0.015 |
-0.117 |
-0.095 |
-0.000 |
0.016 |
0.061 |
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 |
3.060 |
0.042 |
0.960 |
-0.081 |
0.001 |
0.050 |
Slide |
0.042 |
5.873 |
1.066 |
-0.032 |
-0.053 |
-0.188 |
Rise |
0.960 |
1.066 |
9.880 |
-0.249 |
-0.188 |
-0.218 |
Tilt |
-0.081 |
-0.032 |
-0.249 |
0.049 |
0.008 |
0.006 |
Roll |
0.001 |
-0.053 |
-0.188 |
0.008 |
0.033 |
0.011 |
Twist |
0.050 |
-0.188 |
-0.218 |
0.006 |
0.011 |
0.082 |
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 |
1.895 |
0.171 |
0.505 |
-0.014 |
0.002 |
0.089 |
Slide |
0.171 |
3.009 |
1.492 |
-0.077 |
-0.128 |
-0.124 |
Rise |
0.505 |
1.492 |
9.170 |
-0.147 |
-0.127 |
-0.203 |
Tilt |
-0.014 |
-0.077 |
-0.148 |
0.034 |
0.002 |
0.007 |
Roll |
0.002 |
-0.128 |
-0.127 |
0.002 |
0.020 |
0.013 |
Twist |
0.089 |
-0.124 |
-0.203 |
0.007 |
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 |
1.856 |
0.358 |
0.574 |
-0.023 |
-0.032 |
0.078 |
Slide |
0.358 |
3.045 |
1.286 |
-0.060 |
-0.118 |
-0.087 |
Rise |
0.574 |
1.286 |
9.527 |
-0.174 |
-0.124 |
-0.253 |
Tilt |
-0.023 |
-0.060 |
-0.174 |
0.034 |
0.002 |
0.009 |
Roll |
-0.032 |
-0.118 |
-0.124 |
0.002 |
0.024 |
0.015 |
Twist |
0.078 |
-0.087 |
-0.253 |
0.009 |
0.015 |
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 |
2.364 |
0.982 |
0.066 |
-0.059 |
-0.042 |
0.029 |
Slide |
0.982 |
3.703 |
-0.128 |
-0.085 |
-0.051 |
-0.209 |
Rise |
0.066 |
-0.128 |
10.066 |
-0.131 |
-0.077 |
-0.194 |
Tilt |
-0.059 |
-0.085 |
-0.131 |
0.041 |
-0.001 |
0.021 |
Roll |
-0.042 |
-0.051 |
-0.077 |
-0.001 |
0.025 |
0.012 |
Twist |
0.029 |
-0.209 |
-0.194 |
0.021 |
0.012 |
0.067 |
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 |
2.065 |
0.684 |
0.546 |
-0.049 |
0.001 |
0.067 |
Slide |
0.684 |
3.930 |
2.072 |
-0.053 |
-0.101 |
-0.171 |
Rise |
0.546 |
2.072 |
8.847 |
-0.216 |
-0.102 |
-0.208 |
Tilt |
-0.049 |
-0.053 |
-0.216 |
0.043 |
0.002 |
0.006 |
Roll |
0.001 |
-0.101 |
-0.102 |
0.002 |
0.030 |
0.009 |
Twist |
0.067 |
-0.171 |
-0.208 |
0.006 |
0.009 |
0.048 |
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 |
2.502 |
0.555 |
0.522 |
-0.043 |
0.030 |
0.020 |
Slide |
0.555 |
4.603 |
2.268 |
0.003 |
-0.160 |
-0.211 |
Rise |
0.522 |
2.268 |
12.182 |
-0.271 |
-0.243 |
-0.203 |
Tilt |
-0.043 |
0.003 |
-0.271 |
0.048 |
0.009 |
0.006 |
Roll |
0.030 |
-0.160 |
-0.243 |
0.009 |
0.041 |
0.008 |
Twist |
0.020 |
-0.211 |
-0.203 |
0.006 |
0.008 |
0.053 |
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 |
1.396 |
0.432 |
0.549 |
-0.026 |
0.005 |
0.073 |
Slide |
0.432 |
5.249 |
2.917 |
0.002 |
-0.054 |
-0.098 |
Rise |
0.550 |
2.917 |
10.895 |
0.056 |
-0.027 |
-0.198 |
Tilt |
-0.026 |
0.002 |
0.056 |
0.042 |
0.006 |
0.006 |
Roll |
0.005 |
-0.054 |
-0.027 |
0.006 |
0.027 |
0.014 |
Twist |
0.073 |
-0.098 |
-0.198 |
0.006 |
0.014 |
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 |
1.220 |
0.358 |
0.208 |
-0.016 |
0.029 |
0.079 |
Slide |
0.358 |
4.831 |
2.041 |
-0.012 |
-0.037 |
-0.100 |
Rise |
0.208 |
2.041 |
8.780 |
0.073 |
-0.073 |
-0.180 |
Tilt |
-0.016 |
-0.012 |
0.073 |
0.041 |
0.006 |
0.008 |
Roll |
0.029 |
-0.037 |
-0.073 |
0.006 |
0.023 |
0.012 |
Twist |
0.079 |
-0.100 |
-0.180 |
0.008 |
0.012 |
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 |
1.153 |
0.575 |
-0.702 |
-0.060 |
0.000 |
-0.041 |
Slide |
0.575 |
4.612 |
1.125 |
0.042 |
0.017 |
-0.277 |
Rise |
-0.702 |
1.125 |
7.029 |
0.110 |
0.044 |
-0.138 |
Tilt |
-0.060 |
0.042 |
0.110 |
0.036 |
0.008 |
-0.001 |
Roll |
0.000 |
0.017 |
0.044 |
0.008 |
0.024 |
0.008 |
Twist |
-0.041 |
-0.277 |
-0.138 |
-0.001 |
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 |
2.032 |
0.849 |
0.408 |
-0.044 |
-0.008 |
0.031 |
Slide |
0.849 |
5.212 |
3.459 |
0.008 |
-0.004 |
-0.173 |
Rise |
0.408 |
3.459 |
11.576 |
0.078 |
0.031 |
-0.198 |
Tilt |
-0.044 |
0.008 |
0.078 |
0.046 |
0.007 |
0.007 |
Roll |
-0.008 |
-0.004 |
0.031 |
0.007 |
0.032 |
0.009 |
Twist |
0.031 |
-0.173 |
-0.198 |
0.007 |
0.009 |
0.054 |
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 |
4.279 |
0.641 |
0.295 |
-0.003 |
0.002 |
0.026 |
Slide |
0.641 |
7.892 |
4.871 |
0.019 |
-0.051 |
-0.170 |
Rise |
0.295 |
4.871 |
14.495 |
0.067 |
0.018 |
-0.167 |
Tilt |
-0.003 |
0.019 |
0.067 |
0.049 |
0.008 |
0.002 |
Roll |
0.002 |
-0.051 |
0.018 |
0.008 |
0.042 |
0.001 |
Twist |
0.026 |
-0.170 |
-0.167 |
0.002 |
0.001 |
0.064 |
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 |
2.806 |
0.504 |
0.428 |
-0.058 |
-0.009 |
0.025 |
Slide |
0.504 |
7.861 |
3.826 |
0.049 |
-0.024 |
-0.351 |
Rise |
0.428 |
3.826 |
11.415 |
0.112 |
-0.052 |
-0.268 |
Tilt |
-0.058 |
0.049 |
0.112 |
0.046 |
0.008 |
0.001 |
Roll |
-0.009 |
-0.024 |
-0.052 |
0.008 |
0.036 |
0.004 |
Twist |
0.025 |
-0.351 |
-0.268 |
0.001 |
0.004 |
0.088 |
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 |
1.438 |
-0.815 |
0.502 |
-0.027 |
0.001 |
-0.015 |
Slide |
-0.815 |
5.623 |
3.040 |
-0.011 |
-0.007 |
-0.193 |
Rise |
0.502 |
3.040 |
11.122 |
0.102 |
0.031 |
-0.193 |
Tilt |
-0.027 |
-0.011 |
0.102 |
0.044 |
0.008 |
0.003 |
Roll |
0.001 |
-0.007 |
0.031 |
0.008 |
0.030 |
0.009 |
Twist |
-0.015 |
-0.193 |
-0.193 |
0.003 |
0.009 |
0.059 |
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 |
3.077 |
-0.789 |
0.161 |
-0.024 |
0.114 |
0.043 |
Slide |
-0.789 |
3.870 |
0.929 |
0.022 |
-0.009 |
-0.145 |
Rise |
0.161 |
0.929 |
10.474 |
-0.408 |
0.071 |
-0.169 |
Tilt |
-0.024 |
0.022 |
-0.408 |
0.061 |
0.001 |
-0.006 |
Roll |
0.114 |
-0.009 |
0.071 |
0.001 |
0.017 |
0.008 |
Twist |
0.043 |
-0.145 |
-0.169 |
-0.006 |
0.008 |
0.051 |
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 |
3.753 |
1.244 |
0.583 |
-0.081 |
0.094 |
-0.011 |
Slide |
1.244 |
6.534 |
1.915 |
-0.092 |
-0.026 |
-0.308 |
Rise |
0.583 |
1.915 |
10.490 |
-0.273 |
-0.157 |
-0.257 |
Tilt |
-0.081 |
-0.092 |
-0.273 |
0.050 |
0.008 |
0.014 |
Roll |
0.094 |
-0.026 |
-0.157 |
0.008 |
0.033 |
0.007 |
Twist |
-0.011 |
-0.308 |
-0.257 |
0.014 |
0.007 |
0.076 |
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 |
1.780 |
0.022 |
0.407 |
-0.048 |
0.062 |
0.086 |
Slide |
0.022 |
3.935 |
1.709 |
-0.036 |
-0.049 |
-0.057 |
Rise |
0.407 |
1.709 |
9.150 |
-0.202 |
-0.153 |
-0.195 |
Tilt |
-0.048 |
-0.036 |
-0.202 |
0.043 |
0.010 |
0.012 |
Roll |
0.062 |
-0.049 |
-0.152 |
0.010 |
0.024 |
0.008 |
Twist |
0.086 |
-0.057 |
-0.195 |
0.012 |
0.008 |
0.051 |
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 |
1.324 |
0.319 |
0.695 |
-0.072 |
0.015 |
0.065 |
Slide |
0.319 |
3.198 |
1.855 |
-0.048 |
-0.061 |
-0.061 |
Rise |
0.695 |
1.855 |
10.869 |
-0.322 |
-0.077 |
-0.255 |
Tilt |
-0.072 |
-0.048 |
-0.322 |
0.052 |
0.002 |
0.008 |
Roll |
0.015 |
-0.061 |
-0.077 |
0.002 |
0.026 |
0.009 |
Twist |
0.065 |
-0.061 |
-0.255 |
0.008 |
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 |
1.633 |
0.167 |
0.110 |
-0.027 |
0.054 |
-0.008 |
Slide |
0.167 |
2.656 |
1.070 |
0.020 |
-0.034 |
-0.189 |
Rise |
0.110 |
1.070 |
9.486 |
-0.349 |
-0.008 |
-0.197 |
Tilt |
-0.027 |
0.020 |
-0.349 |
0.052 |
0.001 |
0.006 |
Roll |
0.054 |
-0.034 |
-0.008 |
0.001 |
0.022 |
0.009 |
Twist |
-0.008 |
-0.189 |
-0.197 |
0.006 |
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 |
2.511 |
-0.495 |
1.189 |
-0.111 |
0.061 |
-0.026 |
Slide |
-0.495 |
5.492 |
2.164 |
-0.065 |
-0.049 |
-0.292 |
Rise |
1.189 |
2.164 |
8.315 |
-0.208 |
-0.067 |
-0.085 |
Tilt |
-0.111 |
-0.065 |
-0.208 |
0.046 |
0.007 |
0.007 |
Roll |
0.061 |
-0.049 |
-0.067 |
0.007 |
0.022 |
-0.002 |
Twist |
-0.026 |
-0.292 |
-0.085 |
0.007 |
-0.002 |
0.093 |
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 |
3.567 |
-0.053 |
-0.143 |
-0.057 |
0.028 |
0.033 |
Slide |
-0.053 |
6.210 |
-0.545 |
0.008 |
-0.010 |
-0.399 |
Rise |
-0.143 |
-0.545 |
11.452 |
-0.383 |
0.046 |
-0.109 |
Tilt |
-0.057 |
0.008 |
-0.383 |
0.059 |
-0.004 |
0.005 |
Roll |
0.028 |
-0.010 |
0.046 |
-0.004 |
0.024 |
-0.007 |
Twist |
0.033 |
-0.399 |
-0.109 |
0.005 |
-0.007 |
0.080 |
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 |
1.929 |
1.321 |
0.439 |
-0.044 |
0.054 |
0.138 |
Slide |
1.321 |
4.338 |
0.779 |
0.038 |
-0.016 |
-0.173 |
Rise |
0.439 |
0.779 |
10.400 |
-0.175 |
0.031 |
-0.249 |
Tilt |
-0.044 |
0.038 |
-0.175 |
0.038 |
0.003 |
0.013 |
Roll |
0.054 |
-0.016 |
0.031 |
0.003 |
0.019 |
0.009 |
Twist |
0.138 |
-0.173 |
-0.249 |
0.013 |
0.009 |
0.067 |
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 |
2.925 |
0.817 |
0.744 |
-0.046 |
-0.048 |
0.136 |
Slide |
0.817 |
3.329 |
0.709 |
0.050 |
-0.002 |
-0.140 |
Rise |
0.744 |
0.709 |
8.839 |
-0.190 |
0.059 |
-0.186 |
Tilt |
-0.046 |
0.050 |
-0.190 |
0.047 |
-0.002 |
0.011 |
Roll |
-0.048 |
-0.002 |
0.059 |
-0.002 |
0.019 |
-0.002 |
Twist |
0.136 |
-0.140 |
-0.186 |
0.011 |
-0.002 |
0.075 |
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 |
2.431 |
-0.573 |
0.195 |
-0.015 |
0.043 |
-0.059 |
Slide |
-0.573 |
4.044 |
1.792 |
-0.059 |
0.036 |
-0.146 |
Rise |
0.195 |
1.792 |
9.269 |
-0.079 |
0.122 |
-0.143 |
Tilt |
-0.015 |
-0.059 |
-0.079 |
0.041 |
0.000 |
0.007 |
Roll |
0.043 |
0.036 |
0.122 |
0.000 |
0.025 |
0.006 |
Twist |
-0.059 |
-0.146 |
-0.143 |
0.007 |
0.006 |
0.059 |
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 |
2.096 |
0.433 |
-0.110 |
-0.031 |
-0.039 |
0.023 |
Slide |
0.433 |
4.390 |
2.733 |
0.037 |
-0.032 |
-0.094 |
Rise |
-0.110 |
2.733 |
10.611 |
0.059 |
0.079 |
-0.175 |
Tilt |
-0.031 |
0.037 |
0.059 |
0.046 |
0.002 |
0.001 |
Roll |
-0.039 |
-0.032 |
0.079 |
0.002 |
0.033 |
0.010 |
Twist |
0.023 |
-0.094 |
-0.175 |
0.001 |
0.010 |
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 |
0.707 |
-0.503 |
-0.259 |
0.014 |
-0.057 |
-0.083 |
Slide |
-0.504 |
4.336 |
1.553 |
0.080 |
-0.000 |
-0.084 |
Rise |
-0.259 |
1.553 |
8.375 |
0.102 |
0.080 |
-0.104 |
Tilt |
0.014 |
0.080 |
0.102 |
0.037 |
0.004 |
0.001 |
Roll |
-0.057 |
-0.000 |
0.080 |
0.004 |
0.025 |
0.008 |
Twist |
-0.083 |
-0.084 |
-0.104 |
0.001 |
0.008 |
0.030 |
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 |
1.572 |
0.164 |
-0.010 |
0.014 |
-0.068 |
0.117 |
Slide |
0.164 |
5.327 |
3.242 |
0.068 |
-0.021 |
-0.292 |
Rise |
-0.010 |
3.242 |
10.858 |
0.002 |
0.140 |
-0.184 |
Tilt |
0.014 |
0.068 |
0.002 |
0.045 |
-0.001 |
-0.006 |
Roll |
-0.068 |
-0.021 |
0.140 |
-0.001 |
0.029 |
0.009 |
Twist |
0.117 |
-0.292 |
-0.184 |
-0.006 |
0.009 |
0.075 |
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 |
2.182 |
-0.585 |
-0.081 |
0.001 |
0.026 |
-0.011 |
Slide |
-0.585 |
5.274 |
3.253 |
-0.068 |
-0.066 |
-0.118 |
Rise |
-0.081 |
3.253 |
11.687 |
-0.090 |
0.055 |
-0.179 |
Tilt |
0.001 |
-0.068 |
-0.090 |
0.045 |
-0.002 |
-0.001 |
Roll |
0.026 |
-0.066 |
0.055 |
-0.002 |
0.035 |
0.013 |
Twist |
-0.011 |
-0.118 |
-0.179 |
-0.001 |
0.013 |
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 |
2.689 |
0.535 |
0.062 |
-0.034 |
-0.049 |
0.054 |
Slide |
0.535 |
4.813 |
2.192 |
0.060 |
0.004 |
-0.278 |
Rise |
0.062 |
2.192 |
8.742 |
0.042 |
0.074 |
-0.190 |
Tilt |
-0.034 |
0.060 |
0.042 |
0.048 |
0.003 |
-0.001 |
Roll |
-0.049 |
0.004 |
0.074 |
0.003 |
0.031 |
0.009 |
Twist |
0.054 |
-0.278 |
-0.190 |
-0.001 |
0.009 |
0.071 |
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 |
1.988 |
-0.150 |
-0.122 |
0.047 |
-0.007 |
-0.051 |
Slide |
-0.150 |
5.512 |
2.839 |
-0.023 |
-0.102 |
-0.106 |
Rise |
-0.122 |
2.839 |
10.658 |
0.049 |
0.072 |
-0.121 |
Tilt |
0.047 |
-0.023 |
0.049 |
0.040 |
-0.002 |
0.002 |
Roll |
-0.007 |
-0.102 |
0.072 |
-0.002 |
0.032 |
0.011 |
Twist |
-0.051 |
-0.106 |
-0.121 |
0.002 |
0.011 |
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 |
1.347 |
0.374 |
0.169 |
0.051 |
0.022 |
-0.041 |
Slide |
0.374 |
5.940 |
3.246 |
-0.016 |
-0.102 |
-0.097 |
Rise |
0.169 |
3.246 |
10.845 |
-0.019 |
-0.006 |
-0.194 |
Tilt |
0.051 |
-0.016 |
-0.019 |
0.039 |
-0.001 |
0.003 |
Roll |
0.022 |
-0.102 |
-0.006 |
-0.001 |
0.029 |
0.014 |
Twist |
-0.041 |
-0.097 |
-0.194 |
0.003 |
0.014 |
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 |
2.458 |
0.247 |
0.116 |
-0.010 |
-0.003 |
-0.037 |
Slide |
0.247 |
7.463 |
2.872 |
-0.019 |
-0.054 |
-0.220 |
Rise |
0.116 |
2.872 |
13.400 |
-0.082 |
0.088 |
-0.117 |
Tilt |
-0.010 |
-0.019 |
-0.082 |
0.048 |
0.001 |
0.000 |
Roll |
-0.003 |
-0.054 |
0.088 |
0.001 |
0.045 |
0.005 |
Twist |
-0.037 |
-0.220 |
-0.117 |
0.000 |
0.005 |
0.085 |
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 |
1.878 |
0.052 |
0.106 |
0.028 |
0.012 |
-0.006 |
Slide |
0.052 |
5.711 |
3.198 |
0.008 |
-0.058 |
-0.142 |
Rise |
0.106 |
3.198 |
12.214 |
0.017 |
0.098 |
-0.155 |
Tilt |
0.028 |
0.008 |
0.017 |
0.048 |
-0.003 |
0.001 |
Roll |
0.012 |
-0.058 |
0.098 |
-0.003 |
0.032 |
0.012 |
Twist |
-0.006 |
-0.142 |
-0.155 |
0.001 |
0.012 |
0.053 |
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 |
2.082 |
0.006 |
0.282 |
-0.011 |
-0.009 |
0.023 |
Slide |
0.006 |
6.293 |
2.975 |
0.010 |
-0.115 |
-0.137 |
Rise |
0.282 |
2.975 |
10.144 |
0.016 |
-0.044 |
-0.183 |
Tilt |
-0.011 |
0.010 |
0.016 |
0.046 |
0.002 |
0.001 |
Roll |
-0.009 |
-0.115 |
-0.044 |
0.002 |
0.038 |
0.012 |
Twist |
0.023 |
-0.137 |
-0.183 |
0.001 |
0.012 |
0.063 |
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 |
1.833 |
0.109 |
-0.336 |
-0.011 |
0.007 |
-0.044 |
Slide |
0.109 |
6.241 |
1.866 |
-0.058 |
-0.059 |
-0.142 |
Rise |
-0.336 |
1.866 |
10.242 |
0.091 |
0.087 |
-0.123 |
Tilt |
-0.011 |
-0.058 |
0.091 |
0.043 |
0.000 |
0.004 |
Roll |
0.007 |
-0.059 |
0.087 |
0.000 |
0.024 |
0.012 |
Twist |
-0.044 |
-0.142 |
-0.123 |
0.004 |
0.012 |
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 |
2.503 |
-0.510 |
-0.698 |
0.004 |
-0.021 |
0.059 |
Slide |
-0.510 |
7.548 |
3.923 |
0.015 |
-0.107 |
-0.118 |
Rise |
-0.698 |
3.923 |
14.174 |
0.060 |
0.084 |
-0.171 |
Tilt |
0.004 |
0.015 |
0.060 |
0.046 |
-0.001 |
-0.007 |
Roll |
-0.021 |
-0.107 |
0.084 |
-0.001 |
0.043 |
0.014 |
Twist |
0.059 |
-0.118 |
-0.171 |
-0.007 |
0.014 |
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 |
0.943 |
0.260 |
-0.256 |
-0.067 |
0.006 |
0.003 |
Slide |
0.260 |
3.271 |
0.455 |
0.025 |
0.008 |
-0.079 |
Rise |
-0.256 |
0.455 |
9.251 |
0.066 |
-0.173 |
-0.254 |
Tilt |
-0.067 |
0.025 |
0.066 |
0.029 |
-0.000 |
0.004 |
Roll |
0.006 |
0.008 |
-0.173 |
-0.000 |
0.025 |
0.011 |
Twist |
0.003 |
-0.079 |
-0.254 |
0.004 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.704 |
0.179 |
-0.466 |
-0.075 |
0.014 |
0.076 |
Slide |
0.179 |
4.792 |
-0.122 |
-0.105 |
-0.023 |
-0.226 |
Rise |
-0.466 |
-0.122 |
10.220 |
-0.036 |
-0.195 |
-0.155 |
Tilt |
-0.075 |
-0.105 |
-0.036 |
0.033 |
-0.004 |
0.005 |
Roll |
0.014 |
-0.023 |
-0.195 |
-0.004 |
0.032 |
0.014 |
Twist |
0.076 |
-0.226 |
-0.155 |
0.005 |
0.014 |
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 |
1.405 |
-0.087 |
0.340 |
-0.059 |
-0.006 |
0.057 |
Slide |
-0.087 |
2.321 |
1.136 |
0.047 |
0.018 |
-0.153 |
Rise |
0.340 |
1.136 |
4.089 |
-0.008 |
0.077 |
-0.047 |
Tilt |
-0.059 |
0.047 |
-0.008 |
0.025 |
-0.001 |
-0.005 |
Roll |
-0.006 |
0.018 |
0.077 |
-0.001 |
0.011 |
-0.002 |
Twist |
0.057 |
-0.153 |
-0.047 |
-0.005 |
-0.002 |
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 |
1.024 |
0.006 |
0.281 |
-0.080 |
-0.021 |
-0.004 |
Slide |
0.006 |
2.520 |
1.190 |
-0.033 |
-0.047 |
-0.104 |
Rise |
0.281 |
1.190 |
6.642 |
-0.034 |
-0.108 |
-0.142 |
Tilt |
-0.080 |
-0.033 |
-0.034 |
0.026 |
0.001 |
-0.000 |
Roll |
-0.021 |
-0.047 |
-0.108 |
0.001 |
0.015 |
0.005 |
Twist |
-0.004 |
-0.104 |
-0.142 |
-0.000 |
0.005 |
0.020 |
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 |
0.962 |
0.063 |
0.779 |
-0.078 |
-0.007 |
-0.027 |
Slide |
0.063 |
3.216 |
0.524 |
-0.049 |
0.010 |
-0.142 |
Rise |
0.779 |
0.524 |
8.491 |
0.014 |
-0.053 |
-0.242 |
Tilt |
-0.078 |
-0.049 |
0.014 |
0.028 |
-0.003 |
0.003 |
Roll |
-0.007 |
0.010 |
-0.053 |
-0.003 |
0.020 |
0.009 |
Twist |
-0.027 |
-0.142 |
-0.242 |
0.003 |
0.009 |
0.030 |
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 |
1.209 |
0.157 |
0.411 |
-0.072 |
0.009 |
0.007 |
Slide |
0.157 |
2.636 |
0.445 |
-0.042 |
0.027 |
-0.135 |
Rise |
0.411 |
0.445 |
8.380 |
-0.065 |
-0.029 |
-0.171 |
Tilt |
-0.072 |
-0.042 |
-0.065 |
0.029 |
-0.003 |
-0.000 |
Roll |
0.009 |
0.027 |
-0.029 |
-0.003 |
0.017 |
0.003 |
Twist |
0.007 |
-0.135 |
-0.171 |
-0.000 |
0.003 |
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 |
2.854 |
-1.000 |
0.422 |
-0.039 |
0.006 |
0.083 |
Slide |
-1.000 |
3.935 |
1.025 |
0.030 |
0.030 |
-0.207 |
Rise |
0.422 |
1.025 |
7.042 |
-0.081 |
-0.015 |
-0.123 |
Tilt |
-0.039 |
0.030 |
-0.081 |
0.035 |
0.001 |
-0.001 |
Roll |
0.006 |
0.030 |
-0.015 |
0.001 |
0.023 |
0.002 |
Twist |
0.083 |
-0.207 |
-0.123 |
-0.001 |
0.002 |
0.062 |
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 |
1.500 |
0.761 |
-0.097 |
-0.028 |
-0.008 |
0.075 |
Slide |
0.761 |
3.000 |
0.464 |
0.001 |
0.014 |
-0.101 |
Rise |
-0.097 |
0.464 |
7.813 |
0.093 |
-0.128 |
-0.141 |
Tilt |
-0.028 |
0.001 |
0.093 |
0.031 |
-0.005 |
0.006 |
Roll |
-0.008 |
0.014 |
-0.128 |
-0.005 |
0.018 |
0.003 |
Twist |
0.075 |
-0.101 |
-0.141 |
0.006 |
0.003 |
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 |
0.806 |
-0.127 |
0.253 |
-0.067 |
0.018 |
-0.054 |
Slide |
-0.127 |
2.769 |
1.322 |
-0.034 |
0.018 |
-0.108 |
Rise |
0.253 |
1.322 |
6.945 |
-0.020 |
-0.064 |
-0.203 |
Tilt |
-0.067 |
-0.034 |
-0.020 |
0.028 |
-0.002 |
0.001 |
Roll |
0.018 |
0.018 |
-0.064 |
-0.002 |
0.017 |
0.008 |
Twist |
-0.054 |
-0.108 |
-0.203 |
0.001 |
0.008 |
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 |
1.821 |
0.155 |
0.133 |
-0.059 |
0.004 |
-0.009 |
Slide |
0.155 |
2.799 |
0.175 |
-0.014 |
0.021 |
0.005 |
Rise |
0.133 |
0.175 |
6.573 |
-0.032 |
-0.159 |
-0.187 |
Tilt |
-0.059 |
-0.014 |
-0.032 |
0.031 |
0.002 |
0.003 |
Roll |
0.004 |
0.021 |
-0.159 |
0.002 |
0.018 |
0.008 |
Twist |
-0.009 |
0.005 |
-0.187 |
0.003 |
0.008 |
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 |
3.281 |
-0.030 |
0.531 |
-0.029 |
0.013 |
0.028 |
Slide |
-0.030 |
5.677 |
-0.137 |
0.038 |
-0.009 |
-0.220 |
Rise |
0.531 |
-0.137 |
7.540 |
0.075 |
-0.091 |
-0.099 |
Tilt |
-0.029 |
0.038 |
0.075 |
0.035 |
-0.003 |
0.002 |
Roll |
0.013 |
-0.009 |
-0.091 |
-0.003 |
0.020 |
0.007 |
Twist |
0.028 |
-0.220 |
-0.099 |
0.002 |
0.007 |
0.071 |
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 |
1.706 |
-0.113 |
-0.259 |
-0.063 |
0.037 |
0.116 |
Slide |
-0.113 |
3.043 |
1.533 |
0.042 |
-0.021 |
-0.144 |
Rise |
-0.259 |
1.533 |
8.649 |
0.019 |
-0.193 |
-0.284 |
Tilt |
-0.063 |
0.042 |
0.019 |
0.030 |
-0.003 |
-0.002 |
Roll |
0.037 |
-0.021 |
-0.193 |
-0.003 |
0.030 |
0.006 |
Twist |
0.116 |
-0.144 |
-0.284 |
-0.002 |
0.006 |
0.055 |
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 |
2.277 |
-0.023 |
-0.070 |
-0.079 |
-0.065 |
0.086 |
Slide |
-0.023 |
3.908 |
0.227 |
0.012 |
-0.003 |
-0.233 |
Rise |
-0.070 |
0.227 |
9.281 |
-0.002 |
-0.070 |
-0.263 |
Tilt |
-0.079 |
0.012 |
-0.002 |
0.030 |
-0.002 |
-0.003 |
Roll |
-0.065 |
-0.003 |
-0.070 |
-0.002 |
0.022 |
0.008 |
Twist |
0.086 |
-0.233 |
-0.263 |
-0.003 |
0.008 |
0.056 |
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 |
1.389 |
-0.115 |
0.023 |
-0.070 |
0.013 |
-0.080 |
Slide |
-0.115 |
2.255 |
0.739 |
0.004 |
-0.033 |
-0.024 |
Rise |
0.023 |
0.739 |
8.327 |
0.052 |
-0.172 |
-0.205 |
Tilt |
-0.070 |
0.004 |
0.052 |
0.033 |
0.003 |
0.004 |
Roll |
0.013 |
-0.033 |
-0.172 |
0.003 |
0.025 |
0.016 |
Twist |
-0.080 |
-0.024 |
-0.205 |
0.004 |
0.016 |
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 |
2.091 |
0.712 |
-0.616 |
-0.117 |
-0.055 |
0.032 |
Slide |
0.712 |
2.362 |
1.675 |
0.033 |
0.011 |
-0.075 |
Rise |
-0.616 |
1.675 |
10.232 |
0.394 |
0.076 |
-0.154 |
Tilt |
-0.117 |
0.033 |
0.394 |
0.050 |
0.005 |
0.005 |
Roll |
-0.055 |
0.011 |
0.076 |
0.005 |
0.014 |
0.003 |
Twist |
0.032 |
-0.075 |
-0.154 |
0.005 |
0.003 |
0.030 |
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 |
1.567 |
-0.494 |
-0.567 |
-0.144 |
-0.048 |
-0.006 |
Slide |
-0.494 |
2.462 |
1.830 |
0.013 |
-0.030 |
-0.106 |
Rise |
-0.567 |
1.830 |
10.061 |
0.268 |
-0.090 |
-0.219 |
Tilt |
-0.144 |
0.013 |
0.268 |
0.049 |
0.001 |
-0.003 |
Roll |
-0.048 |
-0.030 |
-0.090 |
0.001 |
0.022 |
0.009 |
Twist |
-0.006 |
-0.106 |
-0.219 |
-0.003 |
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 |
3.012 |
-0.385 |
-0.634 |
-0.074 |
0.001 |
-0.008 |
Slide |
-0.385 |
4.184 |
1.123 |
-0.089 |
-0.071 |
-0.306 |
Rise |
-0.634 |
1.123 |
8.956 |
0.248 |
-0.049 |
-0.086 |
Tilt |
-0.074 |
-0.089 |
0.248 |
0.047 |
0.003 |
0.003 |
Roll |
0.001 |
-0.071 |
-0.049 |
0.003 |
0.028 |
0.009 |
Twist |
-0.008 |
-0.306 |
-0.086 |
0.003 |
0.009 |
0.070 |
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 |
2.306 |
-0.473 |
-0.951 |
-0.204 |
-0.074 |
-0.031 |
Slide |
-0.473 |
4.475 |
0.888 |
-0.062 |
0.005 |
-0.230 |
Rise |
-0.951 |
0.888 |
10.671 |
0.320 |
0.041 |
-0.123 |
Tilt |
-0.204 |
-0.062 |
0.319 |
0.053 |
0.002 |
0.008 |
Roll |
-0.074 |
0.005 |
0.041 |
0.002 |
0.018 |
0.009 |
Twist |
-0.031 |
-0.230 |
-0.123 |
0.008 |
0.009 |
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 |
1.598 |
0.382 |
-0.780 |
-0.115 |
-0.047 |
0.018 |
Slide |
0.382 |
2.307 |
2.076 |
0.049 |
-0.022 |
-0.102 |
Rise |
-0.780 |
2.076 |
11.848 |
0.433 |
-0.077 |
-0.237 |
Tilt |
-0.115 |
0.049 |
0.433 |
0.054 |
0.002 |
-0.001 |
Roll |
-0.047 |
-0.022 |
-0.077 |
0.002 |
0.023 |
0.009 |
Twist |
0.018 |
-0.102 |
-0.237 |
-0.001 |
0.009 |
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 |
2.267 |
-0.711 |
-1.230 |
-0.151 |
-0.078 |
-0.029 |
Slide |
-0.711 |
3.293 |
1.309 |
0.005 |
0.001 |
-0.286 |
Rise |
-1.230 |
1.309 |
7.272 |
0.260 |
0.200 |
-0.147 |
Tilt |
-0.151 |
0.005 |
0.260 |
0.045 |
0.008 |
-0.004 |
Roll |
-0.078 |
0.001 |
0.201 |
0.008 |
0.018 |
0.005 |
Twist |
-0.029 |
-0.286 |
-0.147 |
-0.004 |
0.005 |
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 |
1.545 |
-0.642 |
-0.183 |
-0.115 |
-0.009 |
-0.060 |
Slide |
-0.641 |
2.604 |
2.117 |
0.004 |
-0.032 |
-0.103 |
Rise |
-0.183 |
2.117 |
11.700 |
0.314 |
-0.091 |
-0.265 |
Tilt |
-0.115 |
0.004 |
0.314 |
0.052 |
-0.001 |
-0.003 |
Roll |
-0.009 |
-0.032 |
-0.091 |
-0.001 |
0.026 |
0.011 |
Twist |
-0.060 |
-0.103 |
-0.265 |
-0.003 |
0.011 |
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 |
2.400 |
0.100 |
-0.427 |
-0.064 |
-0.078 |
-0.053 |
Slide |
0.100 |
3.892 |
1.980 |
0.061 |
-0.087 |
-0.065 |
Rise |
-0.427 |
1.980 |
8.126 |
0.203 |
-0.083 |
-0.193 |
Tilt |
-0.064 |
0.061 |
0.203 |
0.044 |
-0.005 |
-0.005 |
Roll |
-0.078 |
-0.087 |
-0.083 |
-0.005 |
0.017 |
0.013 |
Twist |
-0.053 |
-0.065 |
-0.193 |
-0.005 |
0.013 |
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 |
1.410 |
-0.167 |
-0.784 |
-0.086 |
-0.032 |
-0.089 |
Slide |
-0.167 |
3.175 |
1.848 |
0.047 |
-0.077 |
-0.071 |
Rise |
-0.784 |
1.848 |
10.379 |
0.319 |
-0.092 |
-0.222 |
Tilt |
-0.086 |
0.047 |
0.319 |
0.053 |
-0.002 |
-0.006 |
Roll |
-0.032 |
-0.077 |
-0.092 |
-0.002 |
0.030 |
0.013 |
Twist |
-0.089 |
-0.071 |
-0.222 |
-0.006 |
0.013 |
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 |
1.056 |
-0.189 |
-0.316 |
-0.056 |
-0.060 |
0.010 |
Slide |
-0.189 |
2.625 |
1.057 |
0.004 |
-0.031 |
-0.189 |
Rise |
-0.316 |
1.057 |
10.071 |
0.339 |
-0.002 |
-0.228 |
Tilt |
-0.056 |
0.004 |
0.339 |
0.049 |
0.002 |
-0.007 |
Roll |
-0.060 |
-0.031 |
-0.002 |
0.002 |
0.022 |
0.012 |
Twist |
0.010 |
-0.189 |
-0.228 |
-0.007 |
0.012 |
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 |
3.047 |
-0.498 |
-0.340 |
-0.075 |
-0.094 |
-0.022 |
Slide |
-0.498 |
6.440 |
2.199 |
0.116 |
-0.003 |
-0.161 |
Rise |
-0.340 |
2.199 |
10.887 |
0.269 |
-0.136 |
-0.199 |
Tilt |
-0.075 |
0.116 |
0.269 |
0.052 |
-0.008 |
-0.009 |
Roll |
-0.094 |
-0.003 |
-0.136 |
-0.008 |
0.027 |
0.002 |
Twist |
-0.022 |
-0.161 |
-0.199 |
-0.009 |
0.002 |
0.084 |
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 |
3.327 |
-0.223 |
-0.112 |
-0.037 |
-0.030 |
-0.072 |
Slide |
-0.223 |
3.906 |
1.322 |
0.064 |
-0.026 |
0.034 |
Rise |
-0.111 |
1.322 |
9.391 |
0.289 |
-0.130 |
-0.270 |
Tilt |
-0.037 |
0.064 |
0.289 |
0.047 |
-0.005 |
-0.012 |
Roll |
-0.030 |
-0.026 |
-0.130 |
-0.005 |
0.027 |
0.010 |
Twist |
-0.072 |
0.034 |
-0.270 |
-0.012 |
0.010 |
0.057 |
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 |
3.519 |
1.229 |
-0.466 |
-0.078 |
-0.058 |
-0.089 |
Slide |
1.229 |
3.475 |
1.087 |
-0.063 |
-0.068 |
-0.156 |
Rise |
-0.466 |
1.087 |
8.117 |
0.340 |
0.039 |
-0.110 |
Tilt |
-0.078 |
-0.063 |
0.340 |
0.058 |
0.001 |
0.005 |
Roll |
-0.058 |
-0.068 |
0.039 |
0.001 |
0.020 |
0.009 |
Twist |
-0.089 |
-0.156 |
-0.110 |
0.005 |
0.009 |
0.060 |
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 |
0.826 |
-0.386 |
-0.286 |
-0.039 |
-0.024 |
-0.090 |
Slide |
-0.386 |
3.028 |
1.037 |
-0.048 |
0.004 |
-0.152 |
Rise |
-0.286 |
1.037 |
7.624 |
0.116 |
0.047 |
-0.260 |
Tilt |
-0.039 |
-0.048 |
0.116 |
0.037 |
-0.002 |
-0.010 |
Roll |
-0.024 |
0.004 |
0.047 |
-0.002 |
0.014 |
0.001 |
Twist |
-0.090 |
-0.152 |
-0.260 |
-0.010 |
0.001 |
0.057 |
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 |
3.252 |
-1.510 |
-0.290 |
-0.001 |
-0.046 |
0.070 |
Slide |
-1.510 |
6.360 |
1.909 |
-0.036 |
-0.006 |
-0.289 |
Rise |
-0.290 |
1.909 |
9.652 |
0.234 |
0.066 |
-0.166 |
Tilt |
-0.001 |
-0.036 |
0.234 |
0.046 |
-0.000 |
-0.007 |
Roll |
-0.046 |
-0.006 |
0.066 |
-0.000 |
0.024 |
0.000 |
Twist |
0.070 |
-0.289 |
-0.166 |
-0.007 |
0.000 |
0.067 |
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 |
2.006 |
0.486 |
-0.723 |
-0.077 |
-0.063 |
-0.121 |
Slide |
0.486 |
2.891 |
0.357 |
0.007 |
-0.007 |
-0.167 |
Rise |
-0.723 |
0.357 |
8.503 |
0.225 |
0.073 |
-0.105 |
Tilt |
-0.077 |
0.007 |
0.225 |
0.044 |
0.001 |
-0.000 |
Roll |
-0.063 |
-0.007 |
0.073 |
0.001 |
0.015 |
0.006 |
Twist |
-0.121 |
-0.167 |
-0.105 |
-0.000 |
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 |
1.569 |
-0.334 |
0.627 |
-0.040 |
-0.054 |
-0.074 |
Slide |
-0.333 |
3.708 |
1.647 |
0.098 |
-0.074 |
-0.241 |
Rise |
0.627 |
1.648 |
9.134 |
-0.169 |
-0.015 |
-0.113 |
Tilt |
-0.040 |
0.098 |
-0.169 |
0.035 |
0.004 |
-0.001 |
Roll |
-0.054 |
-0.074 |
-0.015 |
0.004 |
0.018 |
0.007 |
Twist |
-0.074 |
-0.241 |
-0.113 |
-0.001 |
0.007 |
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 |
2.024 |
0.920 |
0.422 |
-0.069 |
0.037 |
-0.109 |
Slide |
0.920 |
3.216 |
1.500 |
0.032 |
-0.042 |
-0.176 |
Rise |
0.422 |
1.500 |
11.086 |
-0.294 |
-0.067 |
-0.207 |
Tilt |
-0.069 |
0.032 |
-0.294 |
0.040 |
-0.001 |
-0.000 |
Roll |
0.037 |
-0.042 |
-0.067 |
-0.001 |
0.024 |
0.014 |
Twist |
-0.109 |
-0.176 |
-0.207 |
-0.000 |
0.014 |
0.044 |
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 |
2.804 |
0.506 |
0.550 |
-0.108 |
0.086 |
-0.154 |
Slide |
0.506 |
3.689 |
1.378 |
-0.020 |
0.018 |
-0.104 |
Rise |
0.550 |
1.378 |
11.246 |
-0.405 |
0.059 |
-0.080 |
Tilt |
-0.108 |
-0.020 |
-0.405 |
0.053 |
-0.009 |
-0.005 |
Roll |
0.086 |
0.018 |
0.059 |
-0.009 |
0.022 |
-0.000 |
Twist |
-0.154 |
-0.104 |
-0.080 |
-0.005 |
-0.000 |
0.048 |
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 |
3.750 |
-0.309 |
1.353 |
-0.108 |
0.018 |
-0.024 |
Slide |
-0.309 |
6.449 |
1.931 |
-0.037 |
-0.073 |
-0.266 |
Rise |
1.353 |
1.931 |
10.868 |
-0.459 |
-0.005 |
-0.015 |
Tilt |
-0.108 |
-0.037 |
-0.459 |
0.058 |
-0.008 |
-0.005 |
Roll |
0.018 |
-0.073 |
-0.005 |
-0.008 |
0.033 |
0.007 |
Twist |
-0.024 |
-0.266 |
-0.015 |
-0.005 |
0.007 |
0.076 |
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 |
1.498 |
0.542 |
1.065 |
-0.097 |
0.008 |
0.016 |
Slide |
0.542 |
3.029 |
1.549 |
-0.003 |
-0.057 |
-0.131 |
Rise |
1.065 |
1.549 |
10.037 |
-0.326 |
-0.034 |
-0.183 |
Tilt |
-0.097 |
-0.003 |
-0.326 |
0.046 |
-0.005 |
0.003 |
Roll |
0.008 |
-0.057 |
-0.034 |
-0.005 |
0.029 |
0.012 |
Twist |
0.016 |
-0.131 |
-0.183 |
0.003 |
0.012 |
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 |
3.219 |
0.333 |
1.892 |
-0.150 |
0.005 |
-0.030 |
Slide |
0.333 |
4.241 |
2.681 |
-0.056 |
-0.059 |
-0.220 |
Rise |
1.892 |
2.681 |
13.286 |
-0.427 |
-0.111 |
-0.252 |
Tilt |
-0.150 |
-0.056 |
-0.427 |
0.048 |
-0.000 |
0.002 |
Roll |
0.005 |
-0.059 |
-0.111 |
-0.000 |
0.029 |
0.012 |
Twist |
-0.030 |
-0.220 |
-0.252 |
0.002 |
0.012 |
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 |
1.660 |
0.459 |
0.022 |
-0.110 |
0.059 |
0.069 |
Slide |
0.459 |
3.290 |
1.210 |
0.026 |
0.008 |
-0.191 |
Rise |
0.022 |
1.210 |
11.273 |
-0.281 |
-0.030 |
-0.134 |
Tilt |
-0.110 |
0.026 |
-0.281 |
0.050 |
-0.003 |
0.000 |
Roll |
0.059 |
0.008 |
-0.030 |
-0.003 |
0.026 |
0.004 |
Twist |
0.069 |
-0.191 |
-0.134 |
0.000 |
0.004 |
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 |
3.226 |
-0.229 |
0.294 |
-0.040 |
0.005 |
-0.019 |
Slide |
-0.229 |
4.097 |
0.821 |
0.025 |
0.009 |
-0.191 |
Rise |
0.294 |
0.821 |
11.429 |
-0.381 |
0.120 |
-0.016 |
Tilt |
-0.040 |
0.025 |
-0.381 |
0.059 |
-0.010 |
-0.000 |
Roll |
0.005 |
0.009 |
0.120 |
-0.010 |
0.037 |
-0.006 |
Twist |
-0.019 |
-0.191 |
-0.016 |
-0.000 |
-0.006 |
0.073 |
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 |
2.700 |
0.645 |
0.212 |
-0.136 |
0.012 |
-0.017 |
Slide |
0.645 |
6.424 |
2.748 |
-0.125 |
0.092 |
-0.231 |
Rise |
0.212 |
2.748 |
12.502 |
-0.013 |
0.278 |
-0.153 |
Tilt |
-0.136 |
-0.125 |
-0.013 |
0.053 |
-0.002 |
-0.000 |
Roll |
0.012 |
0.092 |
0.278 |
-0.002 |
0.032 |
0.005 |
Twist |
-0.017 |
-0.231 |
-0.153 |
-0.000 |
0.005 |
0.067 |
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 |
2.221 |
-0.499 |
0.055 |
-0.130 |
0.028 |
-0.040 |
Slide |
-0.499 |
4.729 |
2.775 |
-0.023 |
0.055 |
-0.134 |
Rise |
0.055 |
2.775 |
11.263 |
-0.009 |
0.165 |
-0.231 |
Tilt |
-0.130 |
-0.023 |
-0.009 |
0.042 |
-0.002 |
0.000 |
Roll |
0.028 |
0.055 |
0.165 |
-0.002 |
0.026 |
0.009 |
Twist |
-0.040 |
-0.134 |
-0.231 |
0.000 |
0.009 |
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 |
2.308 |
0.594 |
0.135 |
-0.144 |
-0.028 |
0.021 |
Slide |
0.594 |
5.292 |
3.126 |
0.011 |
0.061 |
-0.144 |
Rise |
0.135 |
3.126 |
11.555 |
0.002 |
0.182 |
-0.220 |
Tilt |
-0.144 |
0.011 |
0.002 |
0.045 |
0.000 |
0.000 |
Roll |
-0.028 |
0.061 |
0.182 |
0.000 |
0.027 |
0.008 |
Twist |
0.021 |
-0.144 |
-0.220 |
0.000 |
0.008 |
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 |
2.840 |
0.263 |
0.050 |
-0.146 |
0.013 |
0.079 |
Slide |
0.263 |
6.481 |
2.800 |
-0.020 |
0.082 |
-0.341 |
Rise |
0.050 |
2.800 |
10.023 |
0.019 |
0.165 |
-0.190 |
Tilt |
-0.146 |
-0.020 |
0.019 |
0.045 |
0.003 |
0.000 |
Roll |
0.013 |
0.082 |
0.165 |
0.003 |
0.027 |
0.004 |
Twist |
0.079 |
-0.341 |
-0.190 |
0.000 |
0.004 |
0.070 |
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 |
6.062 |
0.519 |
0.292 |
-0.213 |
0.053 |
0.062 |
Slide |
0.519 |
11.281 |
3.713 |
-0.066 |
0.161 |
-0.742 |
Rise |
0.292 |
3.713 |
7.842 |
-0.011 |
0.198 |
-0.197 |
Tilt |
-0.213 |
-0.066 |
-0.011 |
0.036 |
-0.002 |
0.004 |
Roll |
0.053 |
0.161 |
0.198 |
-0.002 |
0.035 |
0.002 |
Twist |
0.062 |
-0.741 |
-0.197 |
0.004 |
0.002 |
0.092 |
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 |
0.598 |
0.107 |
-0.445 |
-0.078 |
-0.011 |
0.013 |
Slide |
0.107 |
4.000 |
2.919 |
0.019 |
0.105 |
-0.052 |
Rise |
-0.445 |
2.919 |
9.901 |
0.023 |
0.247 |
-0.125 |
Tilt |
-0.078 |
0.019 |
0.023 |
0.036 |
0.002 |
-0.005 |
Roll |
-0.011 |
0.105 |
0.247 |
0.002 |
0.023 |
-0.001 |
Twist |
0.013 |
-0.052 |
-0.125 |
-0.005 |
-0.001 |
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 |
4.638 |
-0.523 |
0.857 |
-0.064 |
-0.003 |
0.090 |
Slide |
-0.523 |
6.137 |
3.419 |
0.027 |
0.134 |
-0.188 |
Rise |
0.857 |
3.419 |
10.235 |
0.053 |
0.264 |
-0.126 |
Tilt |
-0.064 |
0.027 |
0.053 |
0.044 |
0.002 |
-0.001 |
Roll |
-0.003 |
0.134 |
0.264 |
0.002 |
0.033 |
-0.004 |
Twist |
0.090 |
-0.188 |
-0.126 |
-0.001 |
-0.004 |
0.055 |
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 |
1.539 |
0.315 |
0.161 |
-0.146 |
0.030 |
0.023 |
Slide |
0.315 |
2.081 |
1.480 |
-0.014 |
0.082 |
0.013 |
Rise |
0.161 |
1.480 |
9.357 |
-0.027 |
0.233 |
-0.144 |
Tilt |
-0.146 |
-0.014 |
-0.027 |
0.039 |
0.002 |
0.003 |
Roll |
0.030 |
0.082 |
0.233 |
0.002 |
0.027 |
0.004 |
Twist |
0.023 |
0.013 |
-0.144 |
0.003 |
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 |
3.638 |
-0.198 |
0.972 |
-0.056 |
-0.057 |
0.094 |
Slide |
-0.198 |
6.020 |
0.768 |
0.068 |
0.023 |
-0.363 |
Rise |
0.972 |
0.768 |
7.603 |
-0.267 |
0.067 |
-0.004 |
Tilt |
-0.056 |
0.068 |
-0.267 |
0.047 |
-0.003 |
0.000 |
Roll |
-0.057 |
0.023 |
0.067 |
-0.003 |
0.024 |
-0.005 |
Twist |
0.094 |
-0.363 |
-0.004 |
0.000 |
-0.005 |
0.089 |
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 |
1.665 |
0.592 |
0.695 |
-0.147 |
0.060 |
-0.006 |
Slide |
0.592 |
2.273 |
1.731 |
-0.018 |
0.016 |
-0.108 |
Rise |
0.695 |
1.731 |
9.959 |
-0.284 |
-0.031 |
-0.179 |
Tilt |
-0.147 |
-0.018 |
-0.284 |
0.051 |
-0.003 |
0.003 |
Roll |
0.060 |
0.016 |
-0.031 |
-0.003 |
0.022 |
0.007 |
Twist |
-0.006 |
-0.108 |
-0.179 |
0.003 |
0.007 |
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 |
2.233 |
0.734 |
0.246 |
-0.132 |
-0.024 |
0.008 |
Slide |
0.734 |
3.141 |
1.838 |
0.110 |
-0.076 |
-0.127 |
Rise |
0.246 |
1.838 |
8.702 |
-0.223 |
-0.057 |
-0.169 |
Tilt |
-0.132 |
0.110 |
-0.223 |
0.048 |
-0.001 |
-0.007 |
Roll |
-0.024 |
-0.076 |
-0.057 |
-0.001 |
0.031 |
0.011 |
Twist |
0.008 |
-0.127 |
-0.169 |
-0.007 |
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 |
4.234 |
-0.897 |
0.614 |
-0.088 |
0.067 |
0.152 |
Slide |
-0.897 |
5.147 |
1.389 |
-0.056 |
0.010 |
-0.319 |
Rise |
0.614 |
1.389 |
11.388 |
-0.488 |
0.092 |
-0.019 |
Tilt |
-0.088 |
-0.056 |
-0.488 |
0.059 |
-0.008 |
-0.007 |
Roll |
0.067 |
0.010 |
0.092 |
-0.008 |
0.021 |
-0.002 |
Twist |
0.152 |
-0.319 |
-0.019 |
-0.007 |
-0.002 |
0.100 |
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 |
4.981 |
-0.120 |
0.577 |
-0.115 |
0.068 |
-0.048 |
Slide |
-0.120 |
4.871 |
1.323 |
-0.054 |
-0.062 |
-0.268 |
Rise |
0.577 |
1.323 |
9.728 |
-0.453 |
0.217 |
0.033 |
Tilt |
-0.115 |
-0.054 |
-0.453 |
0.067 |
-0.019 |
-0.006 |
Roll |
0.068 |
-0.062 |
0.217 |
-0.019 |
0.031 |
0.001 |
Twist |
-0.048 |
-0.268 |
0.033 |
-0.006 |
0.001 |
0.081 |
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 |
1.142 |
-0.007 |
0.711 |
-0.103 |
0.015 |
-0.012 |
Slide |
-0.007 |
2.430 |
1.730 |
-0.044 |
-0.019 |
-0.135 |
Rise |
0.711 |
1.730 |
11.356 |
-0.380 |
-0.074 |
-0.264 |
Tilt |
-0.103 |
-0.044 |
-0.380 |
0.048 |
-0.002 |
0.005 |
Roll |
0.015 |
-0.019 |
-0.074 |
-0.002 |
0.019 |
0.004 |
Twist |
-0.012 |
-0.135 |
-0.264 |
0.005 |
0.004 |
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 |
4.325 |
0.585 |
1.319 |
-0.180 |
0.013 |
0.088 |
Slide |
0.584 |
5.030 |
1.234 |
0.043 |
0.005 |
-0.237 |
Rise |
1.319 |
1.234 |
12.115 |
-0.417 |
0.051 |
-0.134 |
Tilt |
-0.180 |
0.043 |
-0.417 |
0.058 |
-0.004 |
0.002 |
Roll |
0.013 |
0.005 |
0.051 |
-0.004 |
0.027 |
-0.007 |
Twist |
0.088 |
-0.237 |
-0.134 |
0.002 |
-0.007 |
0.073 |
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 |
2.380 |
-0.225 |
-0.298 |
-0.070 |
-0.004 |
-0.058 |
Slide |
-0.225 |
6.689 |
3.077 |
0.045 |
0.016 |
-0.265 |
Rise |
-0.298 |
3.077 |
12.105 |
-0.077 |
0.005 |
-0.239 |
Tilt |
-0.070 |
0.045 |
-0.077 |
0.048 |
-0.005 |
-0.006 |
Roll |
-0.004 |
0.016 |
0.005 |
-0.005 |
0.040 |
0.006 |
Twist |
-0.058 |
-0.265 |
-0.239 |
-0.006 |
0.006 |
0.070 |
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 |
2.471 |
-0.131 |
0.086 |
-0.025 |
0.038 |
-0.035 |
Slide |
-0.131 |
6.767 |
3.168 |
-0.051 |
0.005 |
-0.181 |
Rise |
0.086 |
3.168 |
9.942 |
-0.014 |
-0.067 |
-0.286 |
Tilt |
-0.025 |
-0.051 |
-0.014 |
0.043 |
-0.001 |
-0.003 |
Roll |
0.038 |
0.005 |
-0.067 |
-0.001 |
0.024 |
0.005 |
Twist |
-0.035 |
-0.181 |
-0.286 |
-0.003 |
0.005 |
0.048 |
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 |
1.557 |
-0.400 |
-0.431 |
-0.039 |
-0.018 |
-0.078 |
Slide |
-0.400 |
3.894 |
3.519 |
-0.017 |
-0.003 |
-0.056 |
Rise |
-0.431 |
3.519 |
10.889 |
-0.077 |
0.022 |
-0.200 |
Tilt |
-0.039 |
-0.017 |
-0.077 |
0.043 |
-0.007 |
-0.004 |
Roll |
-0.018 |
-0.003 |
0.022 |
-0.007 |
0.029 |
0.007 |
Twist |
-0.078 |
-0.056 |
-0.200 |
-0.004 |
0.007 |
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 |
1.793 |
-0.720 |
-0.699 |
-0.052 |
0.025 |
-0.079 |
Slide |
-0.720 |
4.490 |
2.019 |
-0.021 |
0.005 |
-0.047 |
Rise |
-0.699 |
2.019 |
10.879 |
-0.048 |
0.045 |
-0.172 |
Tilt |
-0.052 |
-0.021 |
-0.048 |
0.043 |
-0.004 |
-0.004 |
Roll |
0.025 |
0.005 |
0.045 |
-0.004 |
0.027 |
0.010 |
Twist |
-0.079 |
-0.047 |
-0.172 |
-0.004 |
0.010 |
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 |
2.427 |
-0.510 |
0.138 |
-0.042 |
0.055 |
-0.073 |
Slide |
-0.510 |
4.097 |
2.332 |
-0.045 |
0.002 |
-0.248 |
Rise |
0.138 |
2.332 |
8.982 |
-0.055 |
0.073 |
-0.108 |
Tilt |
-0.042 |
-0.045 |
-0.055 |
0.046 |
-0.005 |
-0.005 |
Roll |
0.055 |
0.002 |
0.073 |
-0.005 |
0.026 |
0.004 |
Twist |
-0.073 |
-0.248 |
-0.108 |
-0.005 |
0.004 |
0.066 |
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 |
1.552 |
-0.114 |
-0.366 |
-0.047 |
0.005 |
0.006 |
Slide |
-0.114 |
4.771 |
3.005 |
-0.008 |
-0.069 |
-0.127 |
Rise |
-0.366 |
3.005 |
9.622 |
-0.078 |
-0.081 |
-0.190 |
Tilt |
-0.047 |
-0.008 |
-0.078 |
0.031 |
-0.003 |
-0.002 |
Roll |
0.005 |
-0.069 |
-0.081 |
-0.003 |
0.022 |
0.010 |
Twist |
0.006 |
-0.127 |
-0.190 |
-0.002 |
0.010 |
0.030 |
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 |
1.637 |
0.449 |
-0.091 |
-0.060 |
0.011 |
-0.027 |
Slide |
0.449 |
5.037 |
2.766 |
0.028 |
-0.018 |
-0.136 |
Rise |
-0.091 |
2.766 |
11.423 |
-0.086 |
-0.025 |
-0.141 |
Tilt |
-0.060 |
0.028 |
-0.086 |
0.048 |
-0.009 |
-0.003 |
Roll |
0.011 |
-0.018 |
-0.025 |
-0.009 |
0.044 |
0.010 |
Twist |
-0.027 |
-0.136 |
-0.141 |
-0.003 |
0.010 |
0.044 |
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 |
0.867 |
0.053 |
0.166 |
-0.047 |
0.001 |
-0.021 |
Slide |
0.053 |
1.851 |
1.046 |
-0.013 |
-0.025 |
-0.085 |
Rise |
0.166 |
1.046 |
6.939 |
-0.003 |
-0.049 |
-0.131 |
Tilt |
-0.047 |
-0.013 |
-0.003 |
0.024 |
0.001 |
0.003 |
Roll |
0.001 |
-0.025 |
-0.049 |
0.001 |
0.012 |
0.006 |
Twist |
-0.021 |
-0.085 |
-0.131 |
0.003 |
0.006 |
0.020 |
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 |
1.560 |
-0.347 |
0.347 |
-0.052 |
-0.010 |
-0.020 |
Slide |
-0.347 |
1.483 |
-0.116 |
0.001 |
0.044 |
-0.052 |
Rise |
0.347 |
-0.116 |
9.314 |
-0.028 |
-0.238 |
-0.178 |
Tilt |
-0.052 |
0.001 |
-0.028 |
0.026 |
-0.005 |
0.003 |
Roll |
-0.010 |
0.044 |
-0.238 |
-0.005 |
0.030 |
0.015 |
Twist |
-0.020 |
-0.052 |
-0.178 |
0.003 |
0.015 |
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 |
0.664 |
0.106 |
-0.106 |
-0.049 |
-0.009 |
-0.002 |
Slide |
0.106 |
1.920 |
1.372 |
0.019 |
0.020 |
-0.109 |
Rise |
-0.106 |
1.371 |
7.115 |
0.032 |
-0.081 |
-0.190 |
Tilt |
-0.049 |
0.019 |
0.032 |
0.026 |
0.000 |
0.001 |
Roll |
-0.009 |
0.020 |
-0.081 |
0.000 |
0.021 |
0.013 |
Twist |
-0.002 |
-0.109 |
-0.190 |
0.001 |
0.013 |
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 |
0.648 |
-0.018 |
-0.059 |
-0.017 |
-0.010 |
0.043 |
Slide |
-0.018 |
1.991 |
1.538 |
0.046 |
-0.003 |
-0.078 |
Rise |
-0.059 |
1.538 |
6.464 |
-0.002 |
-0.049 |
-0.168 |
Tilt |
-0.017 |
0.046 |
-0.002 |
0.025 |
0.002 |
-0.004 |
Roll |
-0.010 |
-0.003 |
-0.049 |
0.002 |
0.021 |
0.011 |
Twist |
0.043 |
-0.078 |
-0.168 |
-0.004 |
0.011 |
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 |
0.895 |
0.137 |
0.093 |
-0.033 |
0.003 |
0.013 |
Slide |
0.137 |
2.523 |
1.228 |
-0.016 |
0.028 |
-0.093 |
Rise |
0.093 |
1.228 |
6.704 |
-0.027 |
-0.089 |
-0.183 |
Tilt |
-0.033 |
-0.016 |
-0.027 |
0.026 |
-0.001 |
0.001 |
Roll |
0.003 |
0.028 |
-0.089 |
-0.001 |
0.023 |
0.012 |
Twist |
0.013 |
-0.093 |
-0.183 |
0.001 |
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 |
3.682 |
2.244 |
-1.176 |
-0.008 |
0.005 |
0.035 |
Slide |
2.244 |
5.468 |
-0.901 |
0.008 |
0.025 |
-0.105 |
Rise |
-1.176 |
-0.901 |
11.439 |
0.114 |
-0.275 |
-0.118 |
Tilt |
-0.008 |
0.008 |
0.114 |
0.036 |
0.004 |
0.000 |
Roll |
0.005 |
0.025 |
-0.275 |
0.004 |
0.040 |
0.016 |
Twist |
0.035 |
-0.105 |
-0.118 |
0.000 |
0.016 |
0.067 |
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 |
2.115 |
-0.024 |
0.179 |
-0.024 |
-0.044 |
0.004 |
Slide |
-0.024 |
1.769 |
0.784 |
-0.023 |
-0.007 |
-0.070 |
Rise |
0.179 |
0.784 |
4.794 |
0.068 |
-0.054 |
-0.131 |
Tilt |
-0.024 |
-0.023 |
0.068 |
0.023 |
0.000 |
-0.002 |
Roll |
-0.044 |
-0.007 |
-0.054 |
0.000 |
0.019 |
0.009 |
Twist |
0.004 |
-0.070 |
-0.131 |
-0.002 |
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 |
1.052 |
0.370 |
-0.211 |
-0.048 |
0.024 |
-0.029 |
Slide |
0.370 |
2.154 |
1.282 |
-0.011 |
-0.007 |
-0.147 |
Rise |
-0.211 |
1.282 |
5.736 |
0.020 |
-0.032 |
-0.152 |
Tilt |
-0.048 |
-0.011 |
0.020 |
0.025 |
-0.001 |
0.001 |
Roll |
0.024 |
-0.007 |
-0.032 |
-0.001 |
0.017 |
0.008 |
Twist |
-0.029 |
-0.147 |
-0.152 |
0.001 |
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 |
1.830 |
-0.422 |
-1.034 |
-0.112 |
-0.054 |
0.011 |
Slide |
-0.422 |
4.011 |
1.438 |
-0.007 |
-0.067 |
-0.174 |
Rise |
-1.034 |
1.438 |
9.764 |
0.345 |
0.020 |
-0.175 |
Tilt |
-0.112 |
-0.007 |
0.345 |
0.048 |
0.008 |
-0.001 |
Roll |
-0.054 |
-0.067 |
0.020 |
0.008 |
0.024 |
0.007 |
Twist |
0.011 |
-0.174 |
-0.175 |
-0.001 |
0.007 |
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 |
2.620 |
-0.625 |
-0.753 |
-0.100 |
-0.099 |
0.117 |
Slide |
-0.625 |
3.116 |
0.967 |
-0.003 |
0.014 |
-0.132 |
Rise |
-0.753 |
0.967 |
9.913 |
0.363 |
0.047 |
-0.087 |
Tilt |
-0.100 |
-0.003 |
0.363 |
0.050 |
0.006 |
0.001 |
Roll |
-0.099 |
0.014 |
0.047 |
0.006 |
0.022 |
0.004 |
Twist |
0.117 |
-0.132 |
-0.087 |
0.001 |
0.004 |
0.048 |
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 |
1.639 |
-0.239 |
-0.413 |
-0.056 |
-0.054 |
0.048 |
Slide |
-0.239 |
3.530 |
1.737 |
0.032 |
-0.026 |
-0.146 |
Rise |
-0.413 |
1.738 |
8.637 |
0.290 |
-0.095 |
-0.245 |
Tilt |
-0.056 |
0.032 |
0.290 |
0.041 |
0.004 |
0.001 |
Roll |
-0.054 |
-0.026 |
-0.095 |
0.004 |
0.015 |
0.000 |
Twist |
0.048 |
-0.146 |
-0.245 |
0.001 |
0.000 |
0.021 |
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 |
2.675 |
-1.158 |
-1.029 |
-0.111 |
-0.041 |
0.083 |
Slide |
-1.158 |
3.757 |
0.882 |
-0.076 |
-0.044 |
-0.118 |
Rise |
-1.029 |
0.882 |
9.999 |
0.321 |
0.121 |
-0.098 |
Tilt |
-0.111 |
-0.076 |
0.321 |
0.052 |
0.007 |
0.002 |
Roll |
-0.041 |
-0.044 |
0.121 |
0.007 |
0.023 |
0.005 |
Twist |
0.083 |
-0.118 |
-0.098 |
0.002 |
0.005 |
0.054 |
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 |
1.130 |
-0.277 |
0.127 |
-0.040 |
-0.025 |
-0.038 |
Slide |
-0.276 |
2.492 |
1.100 |
-0.073 |
-0.048 |
-0.147 |
Rise |
0.127 |
1.100 |
10.402 |
0.218 |
-0.131 |
-0.190 |
Tilt |
-0.040 |
-0.073 |
0.218 |
0.035 |
-0.001 |
0.004 |
Roll |
-0.025 |
-0.048 |
-0.131 |
-0.001 |
0.022 |
0.012 |
Twist |
-0.038 |
-0.147 |
-0.190 |
0.004 |
0.012 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.736 |
-0.065 |
-1.000 |
-0.103 |
0.005 |
0.047 |
Slide |
-0.065 |
3.837 |
2.480 |
0.054 |
-0.126 |
-0.076 |
Rise |
-1.000 |
2.480 |
13.888 |
0.498 |
-0.154 |
-0.173 |
Tilt |
-0.103 |
0.054 |
0.498 |
0.057 |
0.003 |
0.001 |
Roll |
0.005 |
-0.126 |
-0.154 |
0.003 |
0.036 |
0.016 |
Twist |
0.047 |
-0.076 |
-0.173 |
0.001 |
0.016 |
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 |
1.927 |
-0.741 |
-0.882 |
-0.087 |
-0.011 |
0.078 |
Slide |
-0.741 |
3.270 |
1.667 |
-0.016 |
-0.050 |
-0.113 |
Rise |
-0.882 |
1.667 |
10.458 |
0.310 |
-0.042 |
-0.156 |
Tilt |
-0.087 |
-0.016 |
0.310 |
0.046 |
0.004 |
-0.001 |
Roll |
-0.011 |
-0.050 |
-0.042 |
0.004 |
0.029 |
0.010 |
Twist |
0.078 |
-0.113 |
-0.156 |
-0.001 |
0.010 |
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 |
1.867 |
-0.736 |
-0.435 |
-0.095 |
-0.015 |
0.014 |
Slide |
-0.736 |
3.482 |
2.050 |
0.002 |
-0.051 |
-0.167 |
Rise |
-0.435 |
2.050 |
10.958 |
0.293 |
-0.058 |
-0.195 |
Tilt |
-0.095 |
0.002 |
0.293 |
0.045 |
0.003 |
0.000 |
Roll |
-0.015 |
-0.051 |
-0.058 |
0.003 |
0.027 |
0.011 |
Twist |
0.014 |
-0.167 |
-0.195 |
0.000 |
0.011 |
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 |
3.668 |
0.646 |
-0.285 |
-0.003 |
-0.074 |
0.030 |
Slide |
0.646 |
4.160 |
0.740 |
-0.046 |
0.055 |
-0.127 |
Rise |
-0.285 |
0.740 |
7.742 |
0.088 |
-0.009 |
-0.131 |
Tilt |
-0.003 |
-0.046 |
0.088 |
0.034 |
-0.003 |
0.010 |
Roll |
-0.074 |
0.055 |
-0.009 |
-0.003 |
0.016 |
-0.001 |
Twist |
0.030 |
-0.127 |
-0.131 |
0.010 |
-0.001 |
0.051 |
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 |
0.808 |
-0.008 |
-0.407 |
-0.070 |
-0.013 |
0.003 |
Slide |
-0.008 |
2.520 |
0.754 |
0.017 |
0.031 |
-0.118 |
Rise |
-0.407 |
0.754 |
8.193 |
0.017 |
-0.013 |
-0.190 |
Tilt |
-0.070 |
0.017 |
0.017 |
0.031 |
0.003 |
0.001 |
Roll |
-0.013 |
0.031 |
-0.013 |
0.003 |
0.016 |
0.004 |
Twist |
0.003 |
-0.118 |
-0.190 |
0.001 |
0.004 |
0.036 |
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 |
1.575 |
-0.520 |
0.242 |
-0.082 |
-0.034 |
-0.017 |
Slide |
-0.520 |
4.057 |
1.038 |
-0.004 |
-0.042 |
-0.150 |
Rise |
0.242 |
1.038 |
7.989 |
-0.065 |
-0.066 |
-0.182 |
Tilt |
-0.082 |
-0.004 |
-0.065 |
0.032 |
0.001 |
-0.007 |
Roll |
-0.034 |
-0.042 |
-0.066 |
0.001 |
0.021 |
0.007 |
Twist |
-0.017 |
-0.150 |
-0.182 |
-0.007 |
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 |
1.034 |
-0.126 |
-0.742 |
-0.090 |
0.001 |
0.039 |
Slide |
-0.126 |
3.753 |
0.670 |
0.065 |
0.010 |
-0.186 |
Rise |
-0.742 |
0.670 |
8.788 |
-0.026 |
-0.052 |
-0.249 |
Tilt |
-0.090 |
0.065 |
-0.026 |
0.032 |
0.005 |
-0.003 |
Roll |
0.001 |
0.010 |
-0.052 |
0.005 |
0.020 |
0.008 |
Twist |
0.039 |
-0.186 |
-0.249 |
-0.003 |
0.008 |
0.036 |
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 |
1.849 |
-0.011 |
-0.288 |
-0.095 |
0.042 |
-0.046 |
Slide |
-0.011 |
3.750 |
0.268 |
-0.044 |
0.014 |
-0.148 |
Rise |
-0.289 |
0.268 |
7.502 |
-0.071 |
-0.116 |
-0.137 |
Tilt |
-0.095 |
-0.044 |
-0.071 |
0.034 |
0.001 |
-0.011 |
Roll |
0.042 |
0.014 |
-0.116 |
0.001 |
0.020 |
0.010 |
Twist |
-0.046 |
-0.148 |
-0.137 |
-0.011 |
0.010 |
0.048 |
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 |
1.841 |
0.006 |
0.128 |
-0.084 |
0.014 |
-0.055 |
Slide |
0.006 |
3.233 |
-0.460 |
0.005 |
0.038 |
-0.158 |
Rise |
0.128 |
-0.460 |
8.830 |
-0.048 |
-0.165 |
-0.141 |
Tilt |
-0.084 |
0.005 |
-0.048 |
0.025 |
-0.001 |
-0.006 |
Roll |
0.014 |
0.038 |
-0.165 |
-0.001 |
0.023 |
0.009 |
Twist |
-0.055 |
-0.158 |
-0.141 |
-0.006 |
0.009 |
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 |
3.130 |
0.600 |
-0.229 |
-0.024 |
-0.026 |
-0.048 |
Slide |
0.600 |
3.543 |
1.587 |
-0.034 |
-0.011 |
-0.136 |
Rise |
-0.229 |
1.587 |
5.379 |
0.073 |
0.011 |
-0.099 |
Tilt |
-0.024 |
-0.034 |
0.073 |
0.031 |
-0.000 |
0.004 |
Roll |
-0.026 |
-0.011 |
0.011 |
-0.000 |
0.018 |
0.001 |
Twist |
-0.048 |
-0.136 |
-0.099 |
0.004 |
0.001 |
0.048 |
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 |
2.104 |
0.661 |
-0.264 |
-0.014 |
0.019 |
0.095 |
Slide |
0.661 |
3.094 |
-0.111 |
0.041 |
-0.022 |
-0.044 |
Rise |
-0.264 |
-0.111 |
10.275 |
0.048 |
-0.163 |
-0.214 |
Tilt |
-0.014 |
0.041 |
0.048 |
0.034 |
0.003 |
0.007 |
Roll |
0.019 |
-0.022 |
-0.163 |
0.003 |
0.026 |
0.013 |
Twist |
0.095 |
-0.044 |
-0.214 |
0.007 |
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 |
2.530 |
-1.347 |
0.034 |
-0.075 |
-0.015 |
0.063 |
Slide |
-1.347 |
3.094 |
0.965 |
-0.057 |
0.040 |
-0.196 |
Rise |
0.034 |
0.965 |
8.427 |
-0.100 |
-0.149 |
-0.164 |
Tilt |
-0.075 |
-0.057 |
-0.100 |
0.038 |
-0.004 |
-0.003 |
Roll |
-0.015 |
0.040 |
-0.149 |
-0.004 |
0.026 |
0.006 |
Twist |
0.063 |
-0.196 |
-0.164 |
-0.003 |
0.006 |
0.071 |
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 |
1.137 |
0.352 |
-0.431 |
-0.076 |
0.017 |
-0.017 |
Slide |
0.352 |
2.750 |
0.660 |
-0.001 |
0.017 |
-0.186 |
Rise |
-0.431 |
0.660 |
8.288 |
-0.002 |
-0.036 |
-0.216 |
Tilt |
-0.076 |
-0.001 |
-0.002 |
0.027 |
0.003 |
0.003 |
Roll |
0.017 |
0.017 |
-0.036 |
0.003 |
0.018 |
0.005 |
Twist |
-0.017 |
-0.186 |
-0.216 |
0.003 |
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 |
0.915 |
-0.321 |
0.252 |
-0.056 |
-0.014 |
0.055 |
Slide |
-0.321 |
5.320 |
1.025 |
-0.073 |
-0.005 |
-0.218 |
Rise |
0.252 |
1.025 |
7.280 |
-0.094 |
-0.139 |
-0.127 |
Tilt |
-0.056 |
-0.073 |
-0.094 |
0.033 |
0.001 |
-0.009 |
Roll |
-0.014 |
-0.005 |
-0.139 |
0.001 |
0.024 |
0.008 |
Twist |
0.055 |
-0.218 |
-0.127 |
-0.009 |
0.008 |
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 |
1.448 |
0.292 |
-0.337 |
-0.119 |
-0.027 |
0.038 |
Slide |
0.292 |
2.889 |
0.131 |
-0.003 |
0.011 |
-0.063 |
Rise |
-0.337 |
0.131 |
7.267 |
0.005 |
-0.045 |
-0.240 |
Tilt |
-0.119 |
-0.003 |
0.005 |
0.030 |
0.002 |
-0.006 |
Roll |
-0.027 |
0.011 |
-0.045 |
0.002 |
0.018 |
0.007 |
Twist |
0.038 |
-0.063 |
-0.240 |
-0.006 |
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 |
1.764 |
0.157 |
-0.335 |
-0.026 |
-0.020 |
0.027 |
Slide |
0.157 |
3.661 |
0.969 |
-0.009 |
-0.015 |
-0.027 |
Rise |
-0.335 |
0.969 |
7.594 |
0.034 |
-0.209 |
-0.242 |
Tilt |
-0.026 |
-0.009 |
0.034 |
0.035 |
-0.002 |
-0.003 |
Roll |
-0.020 |
-0.015 |
-0.209 |
-0.002 |
0.028 |
0.011 |
Twist |
0.027 |
-0.027 |
-0.242 |
-0.003 |
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 |
1.779 |
0.490 |
0.007 |
-0.067 |
-0.081 |
0.029 |
Slide |
0.490 |
4.525 |
0.939 |
0.035 |
-0.004 |
-0.296 |
Rise |
0.007 |
0.939 |
8.128 |
0.012 |
-0.170 |
-0.092 |
Tilt |
-0.067 |
0.035 |
0.012 |
0.034 |
-0.000 |
-0.003 |
Roll |
-0.081 |
-0.004 |
-0.170 |
-0.000 |
0.029 |
0.005 |
Twist |
0.029 |
-0.296 |
-0.092 |
-0.003 |
0.005 |
0.065 |
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 |
2.062 |
-1.260 |
-0.913 |
-0.053 |
-0.025 |
-0.035 |
Slide |
-1.260 |
4.915 |
1.726 |
0.067 |
-0.036 |
-0.237 |
Rise |
-0.913 |
1.726 |
9.892 |
0.227 |
-0.074 |
-0.253 |
Tilt |
-0.053 |
0.067 |
0.227 |
0.047 |
-0.003 |
-0.013 |
Roll |
-0.025 |
-0.036 |
-0.074 |
-0.003 |
0.029 |
0.008 |
Twist |
-0.035 |
-0.237 |
-0.253 |
-0.013 |
0.008 |
0.055 |
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 |
1.765 |
-0.017 |
-0.657 |
-0.043 |
0.016 |
-0.075 |
Slide |
-0.017 |
3.252 |
1.710 |
0.053 |
-0.098 |
-0.110 |
Rise |
-0.657 |
1.710 |
10.074 |
0.373 |
-0.086 |
-0.206 |
Tilt |
-0.043 |
0.053 |
0.373 |
0.053 |
-0.002 |
-0.008 |
Roll |
0.016 |
-0.098 |
-0.086 |
-0.002 |
0.031 |
0.012 |
Twist |
-0.075 |
-0.110 |
-0.206 |
-0.008 |
0.012 |
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 |
3.052 |
0.360 |
-0.257 |
-0.101 |
-0.005 |
0.000 |
Slide |
0.360 |
2.902 |
-1.045 |
0.035 |
-0.078 |
-0.209 |
Rise |
-0.257 |
-1.045 |
8.223 |
0.288 |
0.025 |
-0.040 |
Tilt |
-0.101 |
0.035 |
0.288 |
0.045 |
-0.001 |
-0.001 |
Roll |
-0.005 |
-0.078 |
0.025 |
-0.001 |
0.017 |
0.020 |
Twist |
0.000 |
-0.209 |
-0.040 |
-0.001 |
0.020 |
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 |
2.431 |
0.819 |
-0.581 |
-0.080 |
-0.046 |
-0.110 |
Slide |
0.819 |
2.413 |
1.105 |
-0.006 |
0.041 |
-0.226 |
Rise |
-0.581 |
1.105 |
6.859 |
0.284 |
0.063 |
-0.083 |
Tilt |
-0.080 |
-0.006 |
0.284 |
0.045 |
-0.002 |
-0.002 |
Roll |
-0.046 |
0.041 |
0.063 |
-0.002 |
0.013 |
0.007 |
Twist |
-0.110 |
-0.226 |
-0.083 |
-0.002 |
0.007 |
0.048 |
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 |
2.697 |
-1.479 |
-0.016 |
0.015 |
0.007 |
-0.049 |
Slide |
-1.479 |
3.954 |
0.748 |
0.038 |
-0.079 |
-0.228 |
Rise |
-0.016 |
0.748 |
9.875 |
0.326 |
0.151 |
-0.220 |
Tilt |
0.015 |
0.038 |
0.326 |
0.052 |
0.011 |
-0.012 |
Roll |
0.007 |
-0.079 |
0.151 |
0.011 |
0.028 |
0.010 |
Twist |
-0.049 |
-0.228 |
-0.220 |
-0.012 |
0.010 |
0.044 |
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 |
2.764 |
-0.880 |
-0.690 |
-0.011 |
-0.023 |
-0.058 |
Slide |
-0.880 |
4.072 |
1.579 |
0.032 |
-0.024 |
-0.243 |
Rise |
-0.690 |
1.579 |
8.578 |
0.145 |
0.057 |
-0.216 |
Tilt |
-0.011 |
0.032 |
0.145 |
0.043 |
0.003 |
-0.009 |
Roll |
-0.023 |
-0.024 |
0.057 |
0.003 |
0.026 |
0.005 |
Twist |
-0.058 |
-0.243 |
-0.216 |
-0.009 |
0.005 |
0.070 |
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 |
2.270 |
-0.590 |
-0.916 |
-0.030 |
-0.064 |
0.038 |
Slide |
-0.590 |
5.297 |
1.897 |
0.063 |
0.011 |
-0.307 |
Rise |
-0.916 |
1.896 |
7.944 |
0.245 |
0.076 |
-0.167 |
Tilt |
-0.030 |
0.063 |
0.245 |
0.045 |
0.005 |
-0.005 |
Roll |
-0.064 |
0.011 |
0.076 |
0.005 |
0.020 |
-0.005 |
Twist |
0.038 |
-0.307 |
-0.167 |
-0.005 |
-0.005 |
0.074 |
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 |
2.899 |
-0.975 |
-0.489 |
0.014 |
-0.003 |
-0.049 |
Slide |
-0.975 |
3.458 |
0.407 |
-0.055 |
-0.039 |
-0.256 |
Rise |
-0.489 |
0.407 |
8.910 |
0.274 |
0.097 |
-0.208 |
Tilt |
0.014 |
-0.055 |
0.274 |
0.043 |
0.004 |
-0.008 |
Roll |
-0.003 |
-0.039 |
0.097 |
0.004 |
0.024 |
0.009 |
Twist |
-0.049 |
-0.256 |
-0.208 |
-0.008 |
0.009 |
0.056 |
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 |
2.158 |
-0.316 |
-0.741 |
-0.032 |
-0.006 |
-0.058 |
Slide |
-0.316 |
5.044 |
2.485 |
0.064 |
-0.177 |
-0.158 |
Rise |
-0.741 |
2.485 |
12.640 |
0.327 |
-0.222 |
-0.209 |
Tilt |
-0.032 |
0.064 |
0.327 |
0.054 |
-0.009 |
-0.008 |
Roll |
-0.006 |
-0.177 |
-0.222 |
-0.009 |
0.037 |
0.007 |
Twist |
-0.058 |
-0.158 |
-0.209 |
-0.008 |
0.007 |
0.054 |
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 |
2.661 |
-0.315 |
-0.430 |
-0.047 |
0.025 |
-0.115 |
Slide |
-0.315 |
3.903 |
0.556 |
-0.023 |
-0.033 |
-0.178 |
Rise |
-0.430 |
0.556 |
10.534 |
0.217 |
0.039 |
-0.136 |
Tilt |
-0.047 |
-0.023 |
0.217 |
0.046 |
0.001 |
-0.004 |
Roll |
0.025 |
-0.033 |
0.039 |
0.001 |
0.028 |
-0.001 |
Twist |
-0.115 |
-0.178 |
-0.136 |
-0.004 |
-0.001 |
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 |
2.610 |
-0.375 |
-0.443 |
-0.006 |
0.036 |
-0.057 |
Slide |
-0.375 |
2.923 |
1.089 |
-0.002 |
-0.090 |
-0.087 |
Rise |
-0.443 |
1.089 |
10.184 |
0.191 |
-0.064 |
-0.188 |
Tilt |
-0.006 |
-0.002 |
0.191 |
0.041 |
-0.002 |
-0.002 |
Roll |
0.036 |
-0.090 |
-0.064 |
-0.002 |
0.027 |
0.012 |
Twist |
-0.057 |
-0.087 |
-0.188 |
-0.002 |
0.012 |
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 |
1.911 |
0.180 |
0.007 |
0.006 |
-0.009 |
-0.124 |
Slide |
0.180 |
3.781 |
0.938 |
-0.043 |
-0.122 |
-0.216 |
Rise |
0.007 |
0.938 |
10.041 |
0.270 |
-0.058 |
-0.144 |
Tilt |
0.006 |
-0.043 |
0.270 |
0.045 |
-0.002 |
-0.002 |
Roll |
-0.009 |
-0.122 |
-0.058 |
-0.002 |
0.024 |
0.007 |
Twist |
-0.124 |
-0.216 |
-0.144 |
-0.002 |
0.007 |
0.044 |
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)