| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.330 |
0.676 |
0.808 |
-0.047 |
0.003 |
-0.000 |
Slide |
0.676 |
2.944 |
0.236 |
0.032 |
-0.082 |
-0.214 |
Rise |
0.808 |
0.236 |
10.242 |
-0.364 |
0.073 |
-0.162 |
Tilt |
-0.047 |
0.032 |
-0.364 |
0.051 |
-0.006 |
0.003 |
Roll |
0.003 |
-0.082 |
0.073 |
-0.006 |
0.026 |
0.016 |
Twist |
-0.000 |
-0.214 |
-0.162 |
0.003 |
0.016 |
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 |
2.061 |
0.444 |
0.709 |
-0.035 |
0.060 |
-0.031 |
Slide |
0.444 |
4.947 |
1.907 |
-0.091 |
0.005 |
-0.250 |
Rise |
0.709 |
1.907 |
7.819 |
-0.288 |
0.067 |
-0.308 |
Tilt |
-0.035 |
-0.091 |
-0.288 |
0.049 |
-0.007 |
0.014 |
Roll |
0.060 |
0.005 |
0.067 |
-0.007 |
0.019 |
0.004 |
Twist |
-0.031 |
-0.250 |
-0.308 |
0.014 |
0.004 |
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 |
2.204 |
1.030 |
0.482 |
-0.001 |
0.053 |
-0.030 |
Slide |
1.030 |
4.498 |
1.476 |
-0.071 |
-0.042 |
-0.172 |
Rise |
0.482 |
1.476 |
8.778 |
-0.436 |
0.120 |
-0.153 |
Tilt |
-0.001 |
-0.071 |
-0.436 |
0.056 |
-0.009 |
0.005 |
Roll |
0.053 |
-0.042 |
0.120 |
-0.009 |
0.018 |
0.003 |
Twist |
-0.030 |
-0.172 |
-0.153 |
0.005 |
0.003 |
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 |
0.714 |
-0.223 |
0.053 |
-0.039 |
0.068 |
0.067 |
Slide |
-0.223 |
1.723 |
0.487 |
-0.071 |
0.016 |
-0.105 |
Rise |
0.053 |
0.487 |
1.125 |
-0.105 |
0.048 |
-0.007 |
Tilt |
-0.039 |
-0.071 |
-0.105 |
0.021 |
-0.006 |
-0.001 |
Roll |
0.068 |
0.016 |
0.048 |
-0.006 |
0.017 |
0.002 |
Twist |
0.067 |
-0.105 |
-0.007 |
-0.001 |
0.002 |
0.018 |
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 |
0.493 |
-0.185 |
0.405 |
-0.054 |
-0.017 |
-0.005 |
Slide |
-0.185 |
1.558 |
-0.036 |
-0.021 |
0.015 |
-0.082 |
Rise |
0.405 |
-0.036 |
1.093 |
-0.040 |
0.020 |
-0.018 |
Tilt |
-0.054 |
-0.021 |
-0.040 |
0.013 |
0.002 |
-0.000 |
Roll |
-0.017 |
0.015 |
0.020 |
0.002 |
0.010 |
0.001 |
Twist |
-0.005 |
-0.082 |
-0.018 |
-0.000 |
0.001 |
0.011 |
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 |
1.693 |
0.912 |
0.740 |
-0.004 |
0.009 |
-0.001 |
Slide |
0.912 |
5.181 |
1.297 |
-0.041 |
-0.045 |
-0.275 |
Rise |
0.740 |
1.297 |
11.486 |
-0.279 |
-0.054 |
-0.207 |
Tilt |
-0.004 |
-0.041 |
-0.279 |
0.047 |
0.000 |
0.008 |
Roll |
0.009 |
-0.045 |
-0.054 |
0.000 |
0.027 |
0.002 |
Twist |
-0.001 |
-0.275 |
-0.207 |
0.008 |
0.002 |
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 |
2.686 |
0.171 |
0.855 |
-0.102 |
0.045 |
-0.010 |
Slide |
0.171 |
3.287 |
1.527 |
-0.033 |
-0.057 |
-0.194 |
Rise |
0.855 |
1.527 |
10.203 |
-0.351 |
-0.123 |
-0.253 |
Tilt |
-0.102 |
-0.033 |
-0.351 |
0.054 |
0.004 |
0.007 |
Roll |
0.045 |
-0.057 |
-0.123 |
0.004 |
0.034 |
0.012 |
Twist |
-0.010 |
-0.194 |
-0.253 |
0.007 |
0.012 |
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 |
2.114 |
0.467 |
0.271 |
-0.039 |
0.028 |
0.098 |
Slide |
0.467 |
4.925 |
0.736 |
-0.020 |
-0.079 |
-0.166 |
Rise |
0.271 |
0.736 |
9.956 |
-0.199 |
0.013 |
-0.150 |
Tilt |
-0.039 |
-0.020 |
-0.199 |
0.047 |
-0.001 |
0.010 |
Roll |
0.028 |
-0.079 |
0.013 |
-0.001 |
0.024 |
0.013 |
Twist |
0.098 |
-0.166 |
-0.150 |
0.010 |
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 |
1.836 |
0.300 |
0.529 |
-0.026 |
-0.007 |
0.106 |
Slide |
0.300 |
2.808 |
1.564 |
-0.046 |
-0.141 |
-0.088 |
Rise |
0.529 |
1.564 |
9.287 |
-0.211 |
-0.191 |
-0.210 |
Tilt |
-0.026 |
-0.046 |
-0.211 |
0.039 |
0.005 |
0.009 |
Roll |
-0.007 |
-0.141 |
-0.191 |
0.005 |
0.024 |
0.014 |
Twist |
0.106 |
-0.088 |
-0.210 |
0.009 |
0.014 |
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 |
1.124 |
0.228 |
0.012 |
-0.005 |
-0.030 |
0.042 |
Slide |
0.228 |
2.720 |
0.591 |
0.007 |
-0.113 |
-0.097 |
Rise |
0.012 |
0.591 |
5.273 |
0.001 |
-0.099 |
-0.171 |
Tilt |
-0.005 |
0.007 |
0.001 |
0.028 |
0.002 |
0.004 |
Roll |
-0.030 |
-0.113 |
-0.099 |
0.002 |
0.021 |
0.010 |
Twist |
0.042 |
-0.097 |
-0.171 |
0.004 |
0.010 |
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 |
0.904 |
0.760 |
-0.305 |
0.019 |
-0.031 |
-0.015 |
Slide |
0.760 |
3.232 |
0.531 |
-0.016 |
-0.067 |
-0.160 |
Rise |
-0.305 |
0.531 |
5.844 |
-0.010 |
-0.086 |
-0.190 |
Tilt |
0.019 |
-0.016 |
-0.010 |
0.031 |
0.004 |
0.010 |
Roll |
-0.031 |
-0.067 |
-0.086 |
0.004 |
0.020 |
0.010 |
Twist |
-0.015 |
-0.160 |
-0.190 |
0.010 |
0.010 |
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 |
1.861 |
0.521 |
0.406 |
-0.039 |
-0.003 |
0.066 |
Slide |
0.521 |
3.450 |
1.802 |
-0.030 |
-0.105 |
-0.147 |
Rise |
0.406 |
1.802 |
8.461 |
-0.189 |
-0.116 |
-0.190 |
Tilt |
-0.039 |
-0.030 |
-0.189 |
0.040 |
0.002 |
0.006 |
Roll |
-0.003 |
-0.105 |
-0.116 |
0.002 |
0.027 |
0.010 |
Twist |
0.066 |
-0.147 |
-0.190 |
0.006 |
0.010 |
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 |
2.114 |
-0.227 |
0.386 |
-0.015 |
0.017 |
0.055 |
Slide |
-0.227 |
4.222 |
1.592 |
-0.008 |
-0.181 |
-0.168 |
Rise |
0.386 |
1.592 |
9.697 |
-0.192 |
-0.206 |
-0.138 |
Tilt |
-0.015 |
-0.008 |
-0.192 |
0.043 |
0.007 |
0.007 |
Roll |
0.017 |
-0.181 |
-0.206 |
0.007 |
0.030 |
0.011 |
Twist |
0.055 |
-0.168 |
-0.138 |
0.007 |
0.011 |
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 |
1.304 |
0.443 |
0.396 |
-0.049 |
0.001 |
0.067 |
Slide |
0.443 |
4.453 |
2.766 |
-0.007 |
-0.036 |
-0.099 |
Rise |
0.396 |
2.766 |
10.347 |
0.068 |
-0.003 |
-0.182 |
Tilt |
-0.049 |
-0.007 |
0.068 |
0.041 |
0.005 |
0.004 |
Roll |
0.001 |
-0.036 |
-0.003 |
0.005 |
0.026 |
0.011 |
Twist |
0.067 |
-0.099 |
-0.182 |
0.004 |
0.011 |
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 |
1.641 |
-0.061 |
0.235 |
-0.025 |
0.016 |
0.107 |
Slide |
-0.061 |
4.292 |
1.433 |
-0.052 |
-0.075 |
-0.010 |
Rise |
0.235 |
1.433 |
9.059 |
0.012 |
-0.113 |
-0.171 |
Tilt |
-0.025 |
-0.052 |
0.012 |
0.039 |
0.005 |
0.009 |
Roll |
0.016 |
-0.075 |
-0.113 |
0.005 |
0.030 |
0.016 |
Twist |
0.107 |
-0.010 |
-0.171 |
0.009 |
0.016 |
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 |
2.442 |
1.251 |
0.400 |
-0.085 |
-0.010 |
-0.011 |
Slide |
1.251 |
6.163 |
3.438 |
-0.024 |
-0.071 |
-0.302 |
Rise |
0.400 |
3.438 |
9.371 |
0.049 |
0.031 |
-0.217 |
Tilt |
-0.085 |
-0.024 |
0.049 |
0.041 |
0.006 |
0.010 |
Roll |
-0.010 |
-0.071 |
0.031 |
0.006 |
0.026 |
0.014 |
Twist |
-0.011 |
-0.302 |
-0.217 |
0.010 |
0.014 |
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 |
1.054 |
0.426 |
0.279 |
-0.030 |
0.027 |
0.023 |
Slide |
0.426 |
3.899 |
3.093 |
0.011 |
-0.022 |
-0.111 |
Rise |
0.279 |
3.093 |
10.250 |
0.074 |
0.028 |
-0.199 |
Tilt |
-0.030 |
0.011 |
0.074 |
0.041 |
0.005 |
0.007 |
Roll |
0.027 |
-0.022 |
0.028 |
0.005 |
0.024 |
0.012 |
Twist |
0.023 |
-0.111 |
-0.199 |
0.007 |
0.012 |
0.041 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.813 |
-0.810 |
-0.236 |
-0.040 |
-0.003 |
0.149 |
Slide |
-0.810 |
3.487 |
2.654 |
0.007 |
-0.045 |
-0.024 |
Rise |
-0.236 |
2.654 |
10.918 |
0.097 |
-0.002 |
-0.134 |
Tilt |
-0.040 |
0.007 |
0.097 |
0.043 |
0.005 |
0.005 |
Roll |
-0.003 |
-0.045 |
-0.002 |
0.005 |
0.028 |
0.002 |
Twist |
0.149 |
-0.024 |
-0.134 |
0.005 |
0.002 |
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 |
2.869 |
0.704 |
0.516 |
-0.077 |
-0.032 |
0.027 |
Slide |
0.704 |
5.576 |
3.177 |
-0.057 |
0.015 |
-0.239 |
Rise |
0.516 |
3.177 |
11.565 |
0.099 |
0.072 |
-0.314 |
Tilt |
-0.077 |
-0.057 |
0.099 |
0.043 |
0.000 |
0.010 |
Roll |
-0.032 |
0.015 |
0.072 |
0.000 |
0.027 |
0.008 |
Twist |
0.027 |
-0.239 |
-0.314 |
0.010 |
0.008 |
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 |
1.402 |
-0.300 |
0.305 |
-0.021 |
-0.025 |
-0.046 |
Slide |
-0.300 |
5.223 |
2.764 |
-0.050 |
-0.026 |
-0.142 |
Rise |
0.305 |
2.764 |
10.164 |
0.077 |
0.027 |
-0.181 |
Tilt |
-0.021 |
-0.050 |
0.077 |
0.041 |
0.004 |
0.007 |
Roll |
-0.025 |
-0.026 |
0.027 |
0.004 |
0.023 |
0.014 |
Twist |
-0.046 |
-0.142 |
-0.181 |
0.007 |
0.014 |
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 |
3.113 |
-0.585 |
-0.132 |
-0.003 |
0.044 |
0.001 |
Slide |
-0.585 |
3.246 |
1.335 |
-0.037 |
-0.079 |
-0.176 |
Rise |
-0.132 |
1.335 |
10.133 |
-0.361 |
-0.012 |
-0.064 |
Tilt |
-0.003 |
-0.037 |
-0.361 |
0.056 |
0.003 |
-0.001 |
Roll |
0.044 |
-0.079 |
-0.012 |
0.003 |
0.026 |
0.010 |
Twist |
0.001 |
-0.176 |
-0.064 |
-0.001 |
0.010 |
0.058 |
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 |
3.446 |
1.298 |
0.657 |
-0.091 |
0.080 |
-0.007 |
Slide |
1.298 |
6.010 |
1.453 |
-0.039 |
-0.023 |
-0.242 |
Rise |
0.657 |
1.453 |
10.571 |
-0.257 |
-0.098 |
-0.253 |
Tilt |
-0.091 |
-0.039 |
-0.257 |
0.049 |
0.004 |
0.014 |
Roll |
0.080 |
-0.023 |
-0.098 |
0.004 |
0.031 |
0.006 |
Twist |
-0.007 |
-0.242 |
-0.253 |
0.014 |
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 |
1.273 |
0.117 |
-0.345 |
-0.010 |
0.063 |
0.118 |
Slide |
0.117 |
2.783 |
1.013 |
0.049 |
-0.046 |
-0.142 |
Rise |
-0.345 |
1.013 |
7.575 |
-0.110 |
-0.054 |
-0.144 |
Tilt |
-0.010 |
0.049 |
-0.110 |
0.036 |
0.001 |
0.002 |
Roll |
0.063 |
-0.046 |
-0.055 |
0.001 |
0.021 |
0.006 |
Twist |
0.118 |
-0.142 |
-0.144 |
0.002 |
0.006 |
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 |
1.551 |
0.630 |
0.598 |
-0.076 |
0.018 |
0.081 |
Slide |
0.630 |
3.027 |
1.929 |
-0.056 |
-0.038 |
-0.088 |
Rise |
0.598 |
1.929 |
10.051 |
-0.323 |
-0.018 |
-0.195 |
Tilt |
-0.076 |
-0.056 |
-0.323 |
0.052 |
0.000 |
0.009 |
Roll |
0.018 |
-0.038 |
-0.018 |
0.000 |
0.025 |
0.006 |
Twist |
0.081 |
-0.088 |
-0.195 |
0.009 |
0.006 |
0.042 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.248 |
0.183 |
0.284 |
-0.045 |
0.053 |
-0.006 |
Slide |
0.183 |
2.588 |
1.126 |
0.017 |
-0.027 |
-0.189 |
Rise |
0.284 |
1.126 |
9.197 |
-0.311 |
0.007 |
-0.218 |
Tilt |
-0.045 |
0.017 |
-0.311 |
0.049 |
-0.000 |
0.008 |
Roll |
0.053 |
-0.027 |
0.007 |
-0.000 |
0.022 |
0.011 |
Twist |
-0.006 |
-0.189 |
-0.218 |
0.008 |
0.011 |
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 |
1.539 |
0.959 |
1.149 |
-0.049 |
0.013 |
-0.062 |
Slide |
0.959 |
2.557 |
0.411 |
0.018 |
0.002 |
0.001 |
Rise |
1.149 |
0.411 |
4.769 |
-0.099 |
-0.044 |
-0.008 |
Tilt |
-0.049 |
0.018 |
-0.099 |
0.025 |
0.005 |
0.006 |
Roll |
0.013 |
0.002 |
-0.044 |
0.005 |
0.008 |
0.004 |
Twist |
-0.062 |
0.001 |
-0.008 |
0.006 |
0.004 |
0.025 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.126 |
-0.146 |
0.242 |
-0.048 |
0.038 |
0.089 |
Slide |
-0.145 |
1.564 |
0.999 |
0.001 |
0.002 |
-0.088 |
Rise |
0.242 |
0.999 |
8.532 |
-0.221 |
0.055 |
-0.178 |
Tilt |
-0.048 |
0.001 |
-0.221 |
0.042 |
0.001 |
0.008 |
Roll |
0.038 |
0.002 |
0.055 |
0.001 |
0.019 |
0.003 |
Twist |
0.089 |
-0.088 |
-0.178 |
0.008 |
0.003 |
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 |
2.491 |
0.870 |
1.216 |
-0.108 |
0.070 |
0.110 |
Slide |
0.870 |
4.995 |
0.788 |
0.084 |
0.006 |
-0.160 |
Rise |
1.216 |
0.788 |
12.633 |
-0.401 |
0.070 |
-0.152 |
Tilt |
-0.108 |
0.084 |
-0.401 |
0.053 |
0.000 |
-0.009 |
Roll |
0.070 |
0.006 |
0.070 |
0.000 |
0.021 |
0.008 |
Twist |
0.110 |
-0.160 |
-0.152 |
-0.009 |
0.008 |
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 |
3.206 |
1.133 |
0.797 |
-0.046 |
-0.048 |
0.034 |
Slide |
1.133 |
3.839 |
0.361 |
0.068 |
-0.011 |
-0.198 |
Rise |
0.797 |
0.361 |
7.556 |
-0.146 |
0.039 |
-0.110 |
Tilt |
-0.046 |
0.068 |
-0.146 |
0.045 |
-0.001 |
0.009 |
Roll |
-0.048 |
-0.011 |
0.039 |
-0.001 |
0.018 |
-0.000 |
Twist |
0.034 |
-0.198 |
-0.110 |
0.009 |
-0.000 |
0.079 |
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 |
1.446 |
-0.577 |
-0.374 |
-0.009 |
0.060 |
-0.024 |
Slide |
-0.577 |
4.609 |
2.043 |
-0.038 |
0.043 |
-0.165 |
Rise |
-0.374 |
2.043 |
9.273 |
-0.015 |
0.109 |
-0.165 |
Tilt |
-0.009 |
-0.038 |
-0.015 |
0.042 |
-0.003 |
0.004 |
Roll |
0.060 |
0.043 |
0.109 |
-0.003 |
0.022 |
0.010 |
Twist |
-0.024 |
-0.165 |
-0.165 |
0.004 |
0.010 |
0.058 |
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 |
1.935 |
0.062 |
-0.188 |
-0.015 |
-0.017 |
0.069 |
Slide |
0.062 |
3.393 |
2.386 |
0.060 |
-0.012 |
-0.045 |
Rise |
-0.188 |
2.386 |
10.795 |
0.095 |
0.081 |
-0.127 |
Tilt |
-0.015 |
0.060 |
0.095 |
0.042 |
0.002 |
-0.001 |
Roll |
-0.017 |
-0.012 |
0.081 |
0.002 |
0.031 |
0.005 |
Twist |
0.069 |
-0.045 |
-0.127 |
-0.001 |
0.005 |
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 |
1.611 |
0.464 |
-0.026 |
-0.009 |
-0.021 |
-0.007 |
Slide |
0.464 |
5.210 |
2.808 |
0.051 |
-0.120 |
-0.186 |
Rise |
-0.026 |
2.808 |
10.134 |
0.001 |
0.000 |
-0.222 |
Tilt |
-0.009 |
0.051 |
0.001 |
0.044 |
-0.001 |
-0.004 |
Roll |
-0.021 |
-0.120 |
0.000 |
-0.001 |
0.032 |
-0.003 |
Twist |
-0.007 |
-0.186 |
-0.222 |
-0.004 |
-0.003 |
0.022 |
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 |
1.877 |
-0.648 |
-0.053 |
0.020 |
-0.025 |
0.093 |
Slide |
-0.648 |
4.656 |
3.330 |
0.028 |
-0.119 |
-0.114 |
Rise |
-0.053 |
3.330 |
8.413 |
-0.080 |
0.025 |
-0.136 |
Tilt |
0.020 |
0.028 |
-0.080 |
0.044 |
-0.002 |
-0.003 |
Roll |
-0.025 |
-0.119 |
0.025 |
-0.002 |
0.026 |
0.008 |
Twist |
0.093 |
-0.114 |
-0.136 |
-0.003 |
0.008 |
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 |
1.830 |
-0.506 |
-0.143 |
-0.010 |
0.043 |
-0.008 |
Slide |
-0.506 |
4.415 |
2.943 |
-0.041 |
-0.054 |
-0.115 |
Rise |
-0.143 |
2.943 |
10.386 |
-0.062 |
0.067 |
-0.155 |
Tilt |
-0.010 |
-0.041 |
-0.062 |
0.044 |
-0.001 |
-0.001 |
Roll |
0.043 |
-0.054 |
0.067 |
-0.001 |
0.033 |
0.014 |
Twist |
-0.008 |
-0.115 |
-0.155 |
-0.001 |
0.014 |
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 |
2.202 |
0.232 |
-0.319 |
-0.016 |
-0.036 |
0.068 |
Slide |
0.232 |
3.920 |
1.962 |
0.038 |
-0.019 |
-0.157 |
Rise |
-0.319 |
1.962 |
8.995 |
0.019 |
0.014 |
-0.133 |
Tilt |
-0.016 |
0.038 |
0.019 |
0.042 |
0.005 |
0.003 |
Roll |
-0.036 |
-0.019 |
0.014 |
0.005 |
0.026 |
0.006 |
Twist |
0.068 |
-0.157 |
-0.133 |
0.003 |
0.006 |
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 |
2.330 |
0.087 |
0.433 |
0.015 |
0.022 |
-0.087 |
Slide |
0.087 |
6.378 |
2.605 |
0.021 |
-0.152 |
-0.106 |
Rise |
0.433 |
2.605 |
9.640 |
-0.004 |
-0.142 |
-0.173 |
Tilt |
0.015 |
0.021 |
-0.004 |
0.049 |
0.009 |
-0.000 |
Roll |
0.022 |
-0.152 |
-0.142 |
0.009 |
0.038 |
0.008 |
Twist |
-0.087 |
-0.106 |
-0.173 |
-0.000 |
0.008 |
0.086 |
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 |
2.039 |
-0.288 |
0.169 |
0.013 |
0.020 |
0.050 |
Slide |
-0.288 |
6.024 |
3.559 |
-0.035 |
-0.092 |
-0.134 |
Rise |
0.169 |
3.559 |
11.468 |
-0.028 |
0.046 |
-0.172 |
Tilt |
0.013 |
-0.035 |
-0.028 |
0.044 |
-0.000 |
0.003 |
Roll |
0.020 |
-0.092 |
0.046 |
-0.000 |
0.034 |
0.011 |
Twist |
0.050 |
-0.134 |
-0.172 |
0.003 |
0.011 |
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 |
2.219 |
-0.923 |
-0.196 |
0.006 |
0.013 |
-0.011 |
Slide |
-0.923 |
5.509 |
2.029 |
0.003 |
0.035 |
-0.267 |
Rise |
-0.196 |
2.029 |
12.531 |
-0.091 |
0.158 |
-0.213 |
Tilt |
0.006 |
0.003 |
-0.091 |
0.047 |
0.001 |
-0.002 |
Roll |
0.013 |
0.035 |
0.158 |
0.001 |
0.033 |
0.012 |
Twist |
-0.011 |
-0.267 |
-0.213 |
-0.002 |
0.012 |
0.069 |
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 |
2.142 |
0.400 |
0.127 |
0.024 |
0.022 |
-0.025 |
Slide |
0.400 |
4.779 |
3.394 |
-0.003 |
-0.057 |
-0.126 |
Rise |
0.127 |
3.394 |
10.360 |
0.020 |
0.105 |
-0.159 |
Tilt |
0.024 |
-0.003 |
0.020 |
0.041 |
-0.003 |
0.001 |
Roll |
0.022 |
-0.057 |
0.105 |
-0.003 |
0.031 |
0.011 |
Twist |
-0.025 |
-0.126 |
-0.159 |
0.001 |
0.011 |
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 |
1.808 |
0.098 |
0.220 |
-0.009 |
-0.011 |
0.022 |
Slide |
0.098 |
5.884 |
2.756 |
0.014 |
-0.114 |
-0.123 |
Rise |
0.220 |
2.756 |
9.106 |
0.016 |
-0.049 |
-0.169 |
Tilt |
-0.009 |
0.014 |
0.016 |
0.044 |
-0.000 |
0.001 |
Roll |
-0.011 |
-0.114 |
-0.049 |
-0.000 |
0.033 |
0.013 |
Twist |
0.022 |
-0.123 |
-0.169 |
0.001 |
0.013 |
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 |
2.645 |
0.424 |
-0.278 |
-0.019 |
0.003 |
-0.058 |
Slide |
0.424 |
7.147 |
3.323 |
-0.023 |
-0.121 |
-0.225 |
Rise |
-0.278 |
3.323 |
11.139 |
0.033 |
0.023 |
-0.212 |
Tilt |
-0.019 |
-0.023 |
0.033 |
0.048 |
0.000 |
-0.000 |
Roll |
0.003 |
-0.121 |
0.023 |
0.000 |
0.033 |
0.014 |
Twist |
-0.058 |
-0.225 |
-0.212 |
-0.000 |
0.014 |
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 |
1.632 |
0.055 |
-0.059 |
0.029 |
0.010 |
0.008 |
Slide |
0.055 |
5.604 |
3.069 |
-0.005 |
-0.054 |
-0.026 |
Rise |
-0.059 |
3.069 |
12.057 |
0.037 |
0.033 |
-0.138 |
Tilt |
0.029 |
-0.005 |
0.037 |
0.040 |
0.004 |
0.002 |
Roll |
0.010 |
-0.054 |
0.033 |
0.004 |
0.028 |
0.005 |
Twist |
0.008 |
-0.026 |
-0.138 |
0.002 |
0.005 |
0.037 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.985 |
0.320 |
0.098 |
-0.062 |
0.005 |
0.013 |
Slide |
0.320 |
3.015 |
0.545 |
0.012 |
0.005 |
-0.075 |
Rise |
0.098 |
0.545 |
8.703 |
0.034 |
-0.157 |
-0.228 |
Tilt |
-0.062 |
0.012 |
0.034 |
0.028 |
-0.001 |
0.002 |
Roll |
0.005 |
0.005 |
-0.157 |
-0.001 |
0.022 |
0.010 |
Twist |
0.013 |
-0.075 |
-0.228 |
0.002 |
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 |
2.474 |
0.217 |
-0.137 |
-0.061 |
-0.002 |
0.078 |
Slide |
0.217 |
5.150 |
-0.157 |
-0.095 |
-0.026 |
-0.254 |
Rise |
-0.137 |
-0.157 |
9.468 |
-0.046 |
-0.129 |
-0.146 |
Tilt |
-0.061 |
-0.095 |
-0.046 |
0.034 |
-0.004 |
0.003 |
Roll |
-0.002 |
-0.026 |
-0.129 |
-0.004 |
0.030 |
0.014 |
Twist |
0.078 |
-0.254 |
-0.146 |
0.003 |
0.014 |
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 |
0.731 |
-0.435 |
0.546 |
-0.077 |
-0.013 |
-0.006 |
Slide |
-0.435 |
2.954 |
1.391 |
0.023 |
0.007 |
-0.168 |
Rise |
0.546 |
1.391 |
5.959 |
-0.009 |
0.046 |
-0.133 |
Tilt |
-0.077 |
0.023 |
-0.009 |
0.029 |
-0.001 |
-0.003 |
Roll |
-0.013 |
0.007 |
0.046 |
-0.001 |
0.012 |
0.002 |
Twist |
-0.006 |
-0.168 |
-0.133 |
-0.003 |
0.002 |
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 |
1.434 |
0.402 |
-0.405 |
-0.097 |
0.008 |
0.015 |
Slide |
0.402 |
4.040 |
0.190 |
-0.024 |
0.013 |
-0.174 |
Rise |
-0.405 |
0.190 |
7.922 |
-0.067 |
-0.182 |
-0.218 |
Tilt |
-0.097 |
-0.024 |
-0.067 |
0.031 |
0.001 |
0.001 |
Roll |
0.008 |
0.013 |
-0.182 |
0.001 |
0.025 |
0.009 |
Twist |
0.015 |
-0.174 |
-0.218 |
0.001 |
0.009 |
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 |
0.910 |
-0.007 |
0.673 |
-0.079 |
0.001 |
-0.018 |
Slide |
-0.007 |
3.601 |
0.613 |
-0.062 |
0.003 |
-0.192 |
Rise |
0.673 |
0.613 |
8.705 |
0.006 |
-0.029 |
-0.243 |
Tilt |
-0.079 |
-0.062 |
0.006 |
0.030 |
-0.003 |
0.004 |
Roll |
0.001 |
0.003 |
-0.029 |
-0.003 |
0.020 |
0.010 |
Twist |
-0.018 |
-0.192 |
-0.243 |
0.004 |
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 |
0.960 |
-0.025 |
0.297 |
-0.066 |
0.014 |
0.008 |
Slide |
-0.025 |
2.416 |
0.730 |
-0.020 |
0.029 |
-0.118 |
Rise |
0.297 |
0.730 |
7.533 |
-0.045 |
0.004 |
-0.174 |
Tilt |
-0.066 |
-0.020 |
-0.045 |
0.030 |
-0.003 |
-0.001 |
Roll |
0.014 |
0.029 |
0.004 |
-0.003 |
0.015 |
0.003 |
Twist |
0.008 |
-0.118 |
-0.174 |
-0.001 |
0.003 |
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 |
2.173 |
-0.706 |
0.036 |
-0.029 |
0.060 |
-0.034 |
Slide |
-0.706 |
3.299 |
0.252 |
-0.017 |
-0.024 |
-0.157 |
Rise |
0.036 |
0.252 |
6.546 |
-0.035 |
-0.035 |
-0.152 |
Tilt |
-0.029 |
-0.017 |
-0.035 |
0.027 |
-0.001 |
-0.002 |
Roll |
0.060 |
-0.024 |
-0.035 |
-0.001 |
0.019 |
0.007 |
Twist |
-0.034 |
-0.157 |
-0.152 |
-0.002 |
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 |
1.552 |
0.390 |
0.192 |
-0.016 |
-0.007 |
0.036 |
Slide |
0.390 |
2.843 |
0.774 |
0.015 |
0.002 |
-0.088 |
Rise |
0.192 |
0.774 |
8.330 |
0.039 |
-0.188 |
-0.214 |
Tilt |
-0.016 |
0.015 |
0.039 |
0.033 |
-0.004 |
0.007 |
Roll |
-0.007 |
0.002 |
-0.188 |
-0.004 |
0.024 |
0.011 |
Twist |
0.036 |
-0.088 |
-0.214 |
0.007 |
0.011 |
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 |
1.821 |
0.871 |
0.206 |
-0.103 |
-0.030 |
-0.044 |
Slide |
0.871 |
4.456 |
1.134 |
-0.082 |
-0.023 |
-0.141 |
Rise |
0.206 |
1.134 |
6.196 |
0.043 |
-0.039 |
-0.162 |
Tilt |
-0.103 |
-0.082 |
0.043 |
0.029 |
-0.003 |
0.004 |
Roll |
-0.030 |
-0.023 |
-0.039 |
-0.003 |
0.017 |
0.006 |
Twist |
-0.044 |
-0.141 |
-0.162 |
0.004 |
0.006 |
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 |
1.448 |
-0.086 |
0.245 |
-0.048 |
0.022 |
0.012 |
Slide |
-0.086 |
2.346 |
0.265 |
-0.020 |
-0.002 |
-0.043 |
Rise |
0.245 |
0.265 |
7.059 |
-0.024 |
-0.170 |
-0.223 |
Tilt |
-0.048 |
-0.020 |
-0.024 |
0.027 |
-0.001 |
0.001 |
Roll |
0.022 |
-0.002 |
-0.170 |
-0.001 |
0.020 |
0.009 |
Twist |
0.012 |
-0.043 |
-0.223 |
0.001 |
0.009 |
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 |
2.236 |
0.732 |
-0.093 |
-0.091 |
-0.008 |
-0.165 |
Slide |
0.732 |
3.310 |
0.986 |
0.014 |
0.024 |
0.001 |
Rise |
-0.093 |
0.986 |
7.312 |
0.033 |
-0.015 |
-0.140 |
Tilt |
-0.091 |
0.014 |
0.033 |
0.033 |
-0.000 |
-0.004 |
Roll |
-0.008 |
0.024 |
-0.015 |
-0.000 |
0.013 |
-0.004 |
Twist |
-0.165 |
0.001 |
-0.140 |
-0.004 |
-0.004 |
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 |
3.055 |
0.889 |
-0.081 |
0.056 |
0.065 |
0.037 |
Slide |
0.889 |
8.156 |
0.054 |
0.118 |
-0.046 |
-0.221 |
Rise |
-0.081 |
0.054 |
8.498 |
-0.003 |
-0.180 |
-0.090 |
Tilt |
0.056 |
0.118 |
-0.003 |
0.032 |
-0.000 |
-0.001 |
Roll |
0.065 |
-0.046 |
-0.180 |
-0.000 |
0.033 |
0.005 |
Twist |
0.037 |
-0.221 |
-0.090 |
-0.001 |
0.005 |
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 |
2.786 |
-0.031 |
0.289 |
-0.068 |
-0.065 |
0.116 |
Slide |
-0.031 |
3.972 |
0.279 |
-0.004 |
-0.005 |
-0.269 |
Rise |
0.289 |
0.279 |
8.715 |
0.010 |
-0.062 |
-0.217 |
Tilt |
-0.068 |
-0.004 |
0.010 |
0.030 |
-0.002 |
-0.001 |
Roll |
-0.065 |
-0.005 |
-0.062 |
-0.002 |
0.021 |
0.007 |
Twist |
0.116 |
-0.269 |
-0.216 |
-0.001 |
0.007 |
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 |
1.512 |
0.083 |
0.174 |
-0.090 |
-0.011 |
-0.086 |
Slide |
0.083 |
2.395 |
1.417 |
-0.026 |
-0.016 |
-0.064 |
Rise |
0.174 |
1.417 |
6.862 |
0.039 |
-0.115 |
-0.213 |
Tilt |
-0.090 |
-0.026 |
0.039 |
0.028 |
0.002 |
0.005 |
Roll |
-0.011 |
-0.016 |
-0.115 |
0.002 |
0.020 |
0.014 |
Twist |
-0.086 |
-0.064 |
-0.213 |
0.005 |
0.014 |
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 |
1.093 |
0.433 |
-0.162 |
-0.072 |
-0.037 |
0.019 |
Slide |
0.433 |
3.676 |
0.775 |
-0.024 |
0.006 |
-0.244 |
Rise |
-0.162 |
0.775 |
9.552 |
0.306 |
0.059 |
-0.134 |
Tilt |
-0.072 |
-0.024 |
0.306 |
0.045 |
0.001 |
0.002 |
Roll |
-0.037 |
0.006 |
0.059 |
0.001 |
0.017 |
0.007 |
Twist |
0.019 |
-0.244 |
-0.134 |
0.002 |
0.007 |
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 |
1.768 |
-0.434 |
-0.760 |
-0.158 |
-0.049 |
-0.015 |
Slide |
-0.434 |
2.156 |
1.846 |
0.006 |
-0.028 |
-0.115 |
Rise |
-0.760 |
1.846 |
9.789 |
0.289 |
-0.074 |
-0.171 |
Tilt |
-0.158 |
0.006 |
0.289 |
0.052 |
0.002 |
-0.000 |
Roll |
-0.049 |
-0.028 |
-0.074 |
0.002 |
0.023 |
0.008 |
Twist |
-0.015 |
-0.115 |
-0.171 |
-0.000 |
0.008 |
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 |
2.388 |
-0.264 |
-0.465 |
-0.080 |
-0.003 |
0.008 |
Slide |
-0.263 |
1.227 |
1.616 |
0.018 |
0.003 |
-0.075 |
Rise |
-0.465 |
1.616 |
9.264 |
0.235 |
-0.019 |
-0.099 |
Tilt |
-0.080 |
0.018 |
0.235 |
0.034 |
-0.005 |
0.004 |
Roll |
-0.003 |
0.003 |
-0.019 |
-0.005 |
0.017 |
0.005 |
Twist |
0.008 |
-0.075 |
-0.099 |
0.004 |
0.005 |
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 |
3.200 |
0.350 |
-0.550 |
-0.127 |
-0.070 |
-0.048 |
Slide |
0.350 |
4.544 |
1.385 |
0.018 |
0.008 |
-0.194 |
Rise |
-0.550 |
1.385 |
8.517 |
0.334 |
0.013 |
-0.136 |
Tilt |
-0.127 |
0.018 |
0.334 |
0.054 |
0.000 |
0.009 |
Roll |
-0.070 |
0.008 |
0.013 |
0.000 |
0.017 |
0.011 |
Twist |
-0.048 |
-0.194 |
-0.136 |
0.009 |
0.011 |
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 |
1.675 |
0.255 |
-0.551 |
-0.105 |
-0.038 |
0.032 |
Slide |
0.255 |
2.381 |
2.208 |
0.064 |
-0.012 |
-0.080 |
Rise |
-0.551 |
2.208 |
11.851 |
0.424 |
-0.099 |
-0.232 |
Tilt |
-0.105 |
0.064 |
0.424 |
0.054 |
0.003 |
-0.000 |
Roll |
-0.038 |
-0.012 |
-0.099 |
0.003 |
0.023 |
0.008 |
Twist |
0.032 |
-0.080 |
-0.232 |
-0.000 |
0.008 |
0.027 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.937 |
-0.758 |
-0.547 |
-0.080 |
0.002 |
-0.011 |
Slide |
-0.758 |
4.002 |
1.063 |
-0.002 |
0.003 |
-0.209 |
Rise |
-0.547 |
1.063 |
9.150 |
0.285 |
0.152 |
-0.206 |
Tilt |
-0.080 |
-0.002 |
0.285 |
0.054 |
0.007 |
-0.012 |
Roll |
0.002 |
0.003 |
0.152 |
0.007 |
0.025 |
-0.005 |
Twist |
-0.011 |
-0.209 |
-0.206 |
-0.012 |
-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 |
1.329 |
-0.520 |
-0.192 |
-0.103 |
-0.030 |
-0.060 |
Slide |
-0.520 |
2.141 |
1.821 |
-0.011 |
-0.024 |
-0.096 |
Rise |
-0.192 |
1.821 |
10.080 |
0.272 |
-0.058 |
-0.180 |
Tilt |
-0.103 |
-0.011 |
0.272 |
0.046 |
0.001 |
0.001 |
Roll |
-0.030 |
-0.024 |
-0.058 |
0.001 |
0.022 |
0.009 |
Twist |
-0.060 |
-0.096 |
-0.180 |
0.001 |
0.009 |
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 |
3.235 |
-0.988 |
-1.122 |
-0.126 |
-0.072 |
-0.069 |
Slide |
-0.988 |
5.565 |
1.622 |
0.036 |
-0.080 |
-0.280 |
Rise |
-1.122 |
1.622 |
10.336 |
0.240 |
-0.103 |
-0.177 |
Tilt |
-0.126 |
0.036 |
0.240 |
0.052 |
-0.004 |
-0.009 |
Roll |
-0.072 |
-0.080 |
-0.103 |
-0.004 |
0.031 |
0.012 |
Twist |
-0.069 |
-0.280 |
-0.177 |
-0.009 |
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 |
1.437 |
-0.294 |
-0.611 |
-0.076 |
-0.026 |
-0.085 |
Slide |
-0.294 |
2.896 |
1.849 |
0.051 |
-0.061 |
-0.060 |
Rise |
-0.611 |
1.849 |
9.777 |
0.316 |
-0.075 |
-0.214 |
Tilt |
-0.076 |
0.051 |
0.316 |
0.053 |
-0.003 |
-0.007 |
Roll |
-0.026 |
-0.061 |
-0.075 |
-0.003 |
0.027 |
0.010 |
Twist |
-0.085 |
-0.060 |
-0.214 |
-0.007 |
0.010 |
0.038 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.966 |
-0.276 |
-0.376 |
-0.056 |
-0.062 |
-0.004 |
Slide |
-0.276 |
2.814 |
0.826 |
0.016 |
-0.028 |
-0.188 |
Rise |
-0.376 |
0.826 |
9.647 |
0.319 |
0.020 |
-0.221 |
Tilt |
-0.056 |
0.016 |
0.319 |
0.047 |
0.002 |
-0.008 |
Roll |
-0.062 |
-0.028 |
0.020 |
0.002 |
0.024 |
0.014 |
Twist |
-0.004 |
-0.188 |
-0.221 |
-0.008 |
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 |
1.506 |
-0.392 |
-0.231 |
-0.033 |
-0.047 |
-0.117 |
Slide |
-0.392 |
2.868 |
1.668 |
0.014 |
-0.064 |
-0.114 |
Rise |
-0.231 |
1.668 |
8.660 |
0.183 |
-0.142 |
-0.210 |
Tilt |
-0.033 |
0.014 |
0.183 |
0.041 |
-0.009 |
-0.010 |
Roll |
-0.047 |
-0.064 |
-0.142 |
-0.009 |
0.024 |
0.012 |
Twist |
-0.117 |
-0.114 |
-0.210 |
-0.010 |
0.012 |
0.040 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
3.666 |
-1.187 |
-0.806 |
-0.129 |
-0.037 |
-0.037 |
Slide |
-1.187 |
5.375 |
1.288 |
0.023 |
-0.076 |
-0.264 |
Rise |
-0.806 |
1.288 |
10.744 |
0.338 |
-0.185 |
-0.118 |
Tilt |
-0.129 |
0.023 |
0.338 |
0.056 |
-0.008 |
-0.001 |
Roll |
-0.037 |
-0.076 |
-0.185 |
-0.008 |
0.038 |
-0.004 |
Twist |
-0.037 |
-0.264 |
-0.118 |
-0.001 |
-0.004 |
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 |
2.053 |
-0.209 |
-0.722 |
-0.047 |
-0.032 |
-0.022 |
Slide |
-0.209 |
2.906 |
0.819 |
-0.045 |
-0.074 |
-0.123 |
Rise |
-0.722 |
0.819 |
8.800 |
0.226 |
0.010 |
-0.214 |
Tilt |
-0.047 |
-0.045 |
0.226 |
0.045 |
0.001 |
-0.007 |
Roll |
-0.032 |
-0.074 |
0.010 |
0.001 |
0.030 |
0.011 |
Twist |
-0.022 |
-0.123 |
-0.214 |
-0.007 |
0.011 |
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 |
1.872 |
-0.532 |
-0.290 |
-0.044 |
-0.018 |
-0.108 |
Slide |
-0.532 |
3.532 |
1.466 |
-0.009 |
0.015 |
-0.226 |
Rise |
-0.290 |
1.466 |
7.425 |
0.186 |
0.146 |
-0.184 |
Tilt |
-0.044 |
-0.009 |
0.186 |
0.040 |
0.004 |
-0.005 |
Roll |
-0.018 |
0.015 |
0.146 |
0.004 |
0.017 |
0.001 |
Twist |
-0.108 |
-0.226 |
-0.184 |
-0.005 |
0.001 |
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 |
4.689 |
0.081 |
-0.793 |
-0.047 |
-0.005 |
-0.178 |
Slide |
0.081 |
5.910 |
1.014 |
-0.094 |
-0.004 |
-0.376 |
Rise |
-0.793 |
1.014 |
8.982 |
0.312 |
0.047 |
-0.031 |
Tilt |
-0.047 |
-0.094 |
0.312 |
0.056 |
-0.001 |
0.009 |
Roll |
-0.005 |
-0.004 |
0.047 |
-0.001 |
0.022 |
-0.002 |
Twist |
-0.178 |
-0.376 |
-0.031 |
0.009 |
-0.002 |
0.103 |
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 |
2.534 |
-0.171 |
-0.276 |
-0.050 |
-0.038 |
-0.084 |
Slide |
-0.171 |
4.236 |
0.061 |
-0.028 |
0.013 |
-0.292 |
Rise |
-0.276 |
0.061 |
10.292 |
0.288 |
0.083 |
-0.143 |
Tilt |
-0.050 |
-0.028 |
0.288 |
0.047 |
0.003 |
-0.007 |
Roll |
-0.038 |
0.013 |
0.083 |
0.003 |
0.021 |
-0.003 |
Twist |
-0.084 |
-0.292 |
-0.143 |
-0.007 |
-0.003 |
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 |
1.793 |
0.227 |
-0.638 |
-0.023 |
-0.051 |
-0.061 |
Slide |
0.227 |
2.545 |
1.139 |
0.023 |
-0.092 |
-0.094 |
Rise |
-0.638 |
1.139 |
9.476 |
-0.194 |
-0.123 |
-0.178 |
Tilt |
-0.023 |
0.023 |
-0.194 |
0.031 |
0.004 |
0.003 |
Roll |
-0.051 |
-0.092 |
-0.123 |
0.004 |
0.024 |
0.011 |
Twist |
-0.061 |
-0.094 |
-0.178 |
0.003 |
0.011 |
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 |
0.964 |
0.188 |
0.363 |
-0.038 |
0.022 |
0.011 |
Slide |
0.188 |
2.467 |
0.819 |
-0.001 |
-0.043 |
-0.094 |
Rise |
0.363 |
0.819 |
6.806 |
-0.266 |
-0.114 |
-0.166 |
Tilt |
-0.038 |
-0.001 |
-0.266 |
0.031 |
-0.001 |
0.001 |
Roll |
0.022 |
-0.043 |
-0.114 |
-0.001 |
0.019 |
0.012 |
Twist |
0.011 |
-0.094 |
-0.166 |
0.001 |
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 |
2.374 |
0.583 |
0.654 |
-0.111 |
0.084 |
-0.096 |
Slide |
0.583 |
3.235 |
1.303 |
-0.013 |
0.018 |
-0.133 |
Rise |
0.654 |
1.303 |
10.292 |
-0.377 |
0.039 |
-0.081 |
Tilt |
-0.111 |
-0.013 |
-0.377 |
0.051 |
-0.008 |
-0.004 |
Roll |
0.084 |
0.018 |
0.039 |
-0.008 |
0.020 |
-0.001 |
Twist |
-0.096 |
-0.133 |
-0.081 |
-0.004 |
-0.001 |
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 |
1.300 |
0.580 |
1.451 |
-0.118 |
0.018 |
-0.056 |
Slide |
0.580 |
2.881 |
1.912 |
-0.009 |
-0.072 |
-0.158 |
Rise |
1.451 |
1.912 |
8.759 |
-0.310 |
0.004 |
-0.114 |
Tilt |
-0.118 |
-0.009 |
-0.310 |
0.043 |
-0.005 |
-0.002 |
Roll |
0.018 |
-0.072 |
0.004 |
-0.005 |
0.025 |
0.008 |
Twist |
-0.056 |
-0.158 |
-0.114 |
-0.002 |
0.008 |
0.042 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.443 |
0.538 |
0.963 |
-0.090 |
0.005 |
-0.003 |
Slide |
0.538 |
2.888 |
1.563 |
-0.006 |
-0.047 |
-0.107 |
Rise |
0.963 |
1.563 |
8.828 |
-0.278 |
-0.029 |
-0.180 |
Tilt |
-0.090 |
-0.006 |
-0.278 |
0.044 |
-0.005 |
0.003 |
Roll |
0.005 |
-0.047 |
-0.029 |
-0.005 |
0.027 |
0.011 |
Twist |
-0.003 |
-0.107 |
-0.180 |
0.003 |
0.011 |
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 |
2.583 |
0.200 |
1.030 |
-0.106 |
0.022 |
-0.038 |
Slide |
0.200 |
2.342 |
2.184 |
-0.028 |
-0.052 |
-0.110 |
Rise |
1.030 |
2.184 |
10.746 |
-0.316 |
-0.148 |
-0.233 |
Tilt |
-0.106 |
-0.028 |
-0.316 |
0.039 |
0.001 |
-0.000 |
Roll |
0.022 |
-0.052 |
-0.148 |
0.001 |
0.032 |
0.016 |
Twist |
-0.038 |
-0.110 |
-0.233 |
-0.000 |
0.016 |
0.029 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.182 |
0.444 |
0.151 |
-0.034 |
-0.009 |
0.030 |
Slide |
0.444 |
2.472 |
0.841 |
0.037 |
-0.033 |
-0.164 |
Rise |
0.151 |
0.841 |
9.105 |
-0.182 |
-0.109 |
-0.171 |
Tilt |
-0.034 |
0.037 |
-0.182 |
0.031 |
-0.000 |
0.003 |
Roll |
-0.009 |
-0.033 |
-0.109 |
-0.000 |
0.022 |
0.011 |
Twist |
0.030 |
-0.164 |
-0.171 |
0.003 |
0.011 |
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 |
2.269 |
0.499 |
1.016 |
-0.132 |
0.059 |
0.038 |
Slide |
0.499 |
3.903 |
1.705 |
-0.043 |
-0.072 |
-0.081 |
Rise |
1.016 |
1.705 |
11.588 |
-0.368 |
0.141 |
-0.193 |
Tilt |
-0.132 |
-0.043 |
-0.368 |
0.051 |
-0.008 |
0.009 |
Roll |
0.059 |
-0.072 |
0.141 |
-0.008 |
0.025 |
0.005 |
Twist |
0.038 |
-0.081 |
-0.193 |
0.009 |
0.005 |
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 |
3.239 |
0.122 |
-0.001 |
-0.141 |
0.011 |
-0.004 |
Slide |
0.122 |
5.162 |
2.074 |
-0.088 |
0.115 |
-0.201 |
Rise |
-0.001 |
2.074 |
12.231 |
-0.033 |
0.273 |
-0.152 |
Tilt |
-0.141 |
-0.088 |
-0.033 |
0.053 |
-0.002 |
0.000 |
Roll |
0.011 |
0.115 |
0.273 |
-0.002 |
0.035 |
0.000 |
Twist |
-0.004 |
-0.201 |
-0.152 |
0.000 |
0.000 |
0.069 |
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 |
2.408 |
-0.576 |
-0.027 |
-0.132 |
0.044 |
0.001 |
Slide |
-0.576 |
4.852 |
2.794 |
-0.018 |
0.061 |
-0.132 |
Rise |
-0.027 |
2.794 |
11.029 |
0.008 |
0.178 |
-0.206 |
Tilt |
-0.132 |
-0.018 |
0.008 |
0.042 |
-0.002 |
0.001 |
Roll |
0.044 |
0.061 |
0.178 |
-0.002 |
0.026 |
0.009 |
Twist |
0.001 |
-0.132 |
-0.206 |
0.001 |
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 |
2.430 |
0.644 |
0.137 |
-0.129 |
-0.014 |
0.030 |
Slide |
0.644 |
5.109 |
2.856 |
0.030 |
0.060 |
-0.145 |
Rise |
0.137 |
2.856 |
11.130 |
-0.003 |
0.186 |
-0.212 |
Tilt |
-0.129 |
0.030 |
-0.003 |
0.041 |
0.001 |
0.000 |
Roll |
-0.014 |
0.060 |
0.186 |
0.001 |
0.025 |
0.007 |
Twist |
0.030 |
-0.145 |
-0.212 |
0.000 |
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 |
3.728 |
0.348 |
0.005 |
-0.180 |
-0.012 |
-0.067 |
Slide |
0.348 |
4.108 |
2.485 |
0.134 |
0.183 |
-0.250 |
Rise |
0.005 |
2.485 |
11.897 |
0.059 |
0.358 |
-0.198 |
Tilt |
-0.180 |
0.134 |
0.059 |
0.043 |
0.001 |
-0.003 |
Roll |
-0.012 |
0.183 |
0.358 |
0.001 |
0.036 |
-0.001 |
Twist |
-0.067 |
-0.250 |
-0.199 |
-0.003 |
-0.001 |
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 |
2.030 |
0.240 |
0.136 |
-0.137 |
0.001 |
-0.063 |
Slide |
0.240 |
3.811 |
3.413 |
0.007 |
0.160 |
-0.167 |
Rise |
0.136 |
3.413 |
9.494 |
0.009 |
0.362 |
-0.251 |
Tilt |
-0.137 |
0.007 |
0.009 |
0.044 |
-0.002 |
-0.001 |
Roll |
0.001 |
0.160 |
0.362 |
-0.002 |
0.028 |
-0.004 |
Twist |
-0.063 |
-0.167 |
-0.251 |
-0.001 |
-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 |
2.670 |
0.058 |
-0.109 |
-0.129 |
0.019 |
-0.038 |
Slide |
0.058 |
2.702 |
1.979 |
-0.027 |
0.135 |
-0.004 |
Rise |
-0.109 |
1.979 |
9.202 |
-0.021 |
0.323 |
-0.059 |
Tilt |
-0.129 |
-0.027 |
-0.021 |
0.037 |
0.002 |
0.004 |
Roll |
0.019 |
0.135 |
0.323 |
0.002 |
0.027 |
0.000 |
Twist |
-0.038 |
-0.004 |
-0.059 |
0.004 |
0.000 |
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 |
5.329 |
0.280 |
1.038 |
-0.055 |
0.023 |
0.010 |
Slide |
0.280 |
9.512 |
4.151 |
0.037 |
0.113 |
-0.484 |
Rise |
1.038 |
4.151 |
9.565 |
0.081 |
0.235 |
-0.181 |
Tilt |
-0.055 |
0.037 |
0.081 |
0.045 |
0.002 |
-0.002 |
Roll |
0.023 |
0.113 |
0.235 |
0.002 |
0.030 |
-0.006 |
Twist |
0.010 |
-0.484 |
-0.181 |
-0.002 |
-0.006 |
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 |
3.735 |
1.271 |
-0.237 |
-0.165 |
-0.002 |
-0.071 |
Slide |
1.271 |
5.050 |
2.685 |
0.016 |
0.142 |
-0.224 |
Rise |
-0.237 |
2.685 |
11.720 |
0.002 |
0.258 |
-0.201 |
Tilt |
-0.165 |
0.016 |
0.002 |
0.050 |
0.002 |
-0.001 |
Roll |
-0.002 |
0.142 |
0.258 |
0.002 |
0.034 |
-0.006 |
Twist |
-0.071 |
-0.224 |
-0.201 |
-0.001 |
-0.006 |
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 |
3.423 |
0.135 |
0.485 |
-0.086 |
0.103 |
-0.013 |
Slide |
0.135 |
3.168 |
1.585 |
-0.088 |
0.022 |
-0.114 |
Rise |
0.485 |
1.585 |
13.317 |
-0.459 |
0.007 |
-0.157 |
Tilt |
-0.086 |
-0.088 |
-0.459 |
0.054 |
-0.005 |
-0.004 |
Roll |
0.103 |
0.022 |
0.007 |
-0.005 |
0.022 |
0.012 |
Twist |
-0.013 |
-0.114 |
-0.157 |
-0.004 |
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 |
2.250 |
0.392 |
0.500 |
-0.121 |
0.057 |
0.013 |
Slide |
0.392 |
3.243 |
1.291 |
0.023 |
-0.031 |
-0.200 |
Rise |
0.500 |
1.291 |
8.020 |
-0.255 |
-0.005 |
-0.159 |
Tilt |
-0.121 |
0.023 |
-0.255 |
0.045 |
-0.004 |
0.003 |
Roll |
0.057 |
-0.031 |
-0.005 |
-0.004 |
0.024 |
0.007 |
Twist |
0.013 |
-0.200 |
-0.159 |
0.003 |
0.007 |
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 |
2.279 |
1.035 |
0.170 |
-0.082 |
-0.037 |
-0.009 |
Slide |
1.035 |
2.243 |
2.366 |
-0.016 |
-0.064 |
-0.140 |
Rise |
0.170 |
2.366 |
9.679 |
-0.268 |
-0.104 |
-0.209 |
Tilt |
-0.082 |
-0.016 |
-0.268 |
0.047 |
-0.001 |
0.001 |
Roll |
-0.037 |
-0.064 |
-0.104 |
-0.001 |
0.030 |
0.009 |
Twist |
-0.009 |
-0.140 |
-0.209 |
0.001 |
0.009 |
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 |
1.185 |
-0.477 |
1.105 |
-0.148 |
0.067 |
0.074 |
Slide |
-0.477 |
2.055 |
1.284 |
0.004 |
0.013 |
-0.131 |
Rise |
1.105 |
1.284 |
8.458 |
-0.314 |
0.106 |
-0.149 |
Tilt |
-0.148 |
0.004 |
-0.314 |
0.045 |
-0.007 |
-0.003 |
Roll |
0.067 |
0.013 |
0.106 |
-0.007 |
0.019 |
0.002 |
Twist |
0.074 |
-0.131 |
-0.149 |
-0.003 |
0.002 |
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 |
1.982 |
-0.533 |
1.152 |
-0.156 |
0.068 |
0.129 |
Slide |
-0.533 |
1.317 |
0.359 |
0.049 |
0.038 |
-0.064 |
Rise |
1.152 |
0.359 |
7.061 |
-0.171 |
0.126 |
-0.111 |
Tilt |
-0.156 |
0.049 |
-0.171 |
0.038 |
-0.003 |
-0.002 |
Roll |
0.068 |
0.038 |
0.126 |
-0.003 |
0.017 |
0.002 |
Twist |
0.129 |
-0.064 |
-0.111 |
-0.002 |
0.002 |
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 |
1.421 |
-0.375 |
0.700 |
-0.115 |
0.058 |
0.019 |
Slide |
-0.375 |
2.133 |
1.756 |
-0.048 |
-0.016 |
-0.101 |
Rise |
0.700 |
1.756 |
10.595 |
-0.389 |
-0.061 |
-0.212 |
Tilt |
-0.115 |
-0.048 |
-0.389 |
0.050 |
-0.002 |
-0.000 |
Roll |
0.058 |
-0.016 |
-0.061 |
-0.002 |
0.023 |
0.010 |
Twist |
0.019 |
-0.101 |
-0.212 |
-0.000 |
0.010 |
0.026 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.388 |
-0.224 |
0.526 |
-0.156 |
0.030 |
0.081 |
Slide |
-0.224 |
4.038 |
0.423 |
0.066 |
0.001 |
-0.237 |
Rise |
0.526 |
0.423 |
10.051 |
-0.329 |
0.099 |
-0.102 |
Tilt |
-0.156 |
0.066 |
-0.329 |
0.051 |
-0.003 |
-0.006 |
Roll |
0.030 |
0.001 |
0.099 |
-0.003 |
0.017 |
0.010 |
Twist |
0.081 |
-0.237 |
-0.102 |
-0.006 |
0.010 |
0.047 |
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 |
1.625 |
-0.687 |
-0.503 |
-0.056 |
-0.000 |
-0.024 |
Slide |
-0.687 |
5.659 |
2.643 |
0.050 |
0.036 |
-0.279 |
Rise |
-0.503 |
2.643 |
10.548 |
-0.030 |
0.021 |
-0.273 |
Tilt |
-0.056 |
0.050 |
-0.030 |
0.047 |
-0.005 |
-0.007 |
Roll |
-0.000 |
0.036 |
0.021 |
-0.005 |
0.035 |
0.008 |
Twist |
-0.024 |
-0.279 |
-0.273 |
-0.007 |
0.008 |
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 |
2.590 |
-0.346 |
0.446 |
-0.056 |
0.010 |
-0.090 |
Slide |
-0.347 |
4.522 |
4.249 |
-0.128 |
0.048 |
-0.162 |
Rise |
0.445 |
4.249 |
14.471 |
-0.271 |
0.033 |
-0.276 |
Tilt |
-0.056 |
-0.128 |
-0.271 |
0.044 |
-0.003 |
-0.002 |
Roll |
0.010 |
0.048 |
0.033 |
-0.003 |
0.026 |
0.010 |
Twist |
-0.090 |
-0.162 |
-0.276 |
-0.002 |
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 |
0.991 |
-0.274 |
-0.472 |
-0.007 |
-0.013 |
-0.015 |
Slide |
-0.274 |
3.324 |
3.093 |
0.015 |
-0.011 |
-0.094 |
Rise |
-0.472 |
3.093 |
10.539 |
-0.045 |
0.040 |
-0.155 |
Tilt |
-0.007 |
0.015 |
-0.045 |
0.040 |
-0.005 |
-0.007 |
Roll |
-0.013 |
-0.011 |
0.040 |
-0.005 |
0.024 |
0.007 |
Twist |
-0.015 |
-0.094 |
-0.155 |
-0.007 |
0.007 |
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 |
1.274 |
-0.245 |
-0.257 |
0.003 |
-0.023 |
-0.090 |
Slide |
-0.245 |
4.171 |
3.421 |
0.019 |
-0.021 |
-0.087 |
Rise |
-0.257 |
3.421 |
12.035 |
0.020 |
0.044 |
-0.227 |
Tilt |
0.003 |
0.019 |
0.020 |
0.039 |
-0.007 |
-0.003 |
Roll |
-0.023 |
-0.021 |
0.044 |
-0.007 |
0.028 |
0.005 |
Twist |
-0.090 |
-0.087 |
-0.227 |
-0.003 |
0.005 |
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 |
2.550 |
0.185 |
-0.291 |
-0.063 |
-0.015 |
-0.054 |
Slide |
0.185 |
3.127 |
3.476 |
0.028 |
-0.075 |
-0.179 |
Rise |
-0.291 |
3.476 |
9.236 |
-0.012 |
-0.023 |
-0.162 |
Tilt |
-0.063 |
0.028 |
-0.012 |
0.043 |
-0.007 |
-0.002 |
Roll |
-0.015 |
-0.075 |
-0.023 |
-0.007 |
0.027 |
0.004 |
Twist |
-0.054 |
-0.179 |
-0.162 |
-0.002 |
0.004 |
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 |
1.515 |
-0.271 |
-0.422 |
-0.030 |
-0.027 |
0.019 |
Slide |
-0.271 |
4.345 |
2.385 |
-0.040 |
-0.036 |
-0.039 |
Rise |
-0.422 |
2.385 |
9.624 |
-0.056 |
-0.027 |
-0.193 |
Tilt |
-0.030 |
-0.040 |
-0.056 |
0.040 |
-0.008 |
-0.004 |
Roll |
-0.027 |
-0.036 |
-0.027 |
-0.008 |
0.024 |
0.012 |
Twist |
0.019 |
-0.039 |
-0.193 |
-0.004 |
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 |
1.727 |
-0.060 |
-0.658 |
-0.022 |
-0.020 |
-0.016 |
Slide |
-0.060 |
5.991 |
3.751 |
0.001 |
-0.082 |
-0.180 |
Rise |
-0.658 |
3.751 |
12.585 |
-0.093 |
-0.021 |
-0.203 |
Tilt |
-0.022 |
0.001 |
-0.093 |
0.045 |
-0.008 |
-0.008 |
Roll |
-0.020 |
-0.082 |
-0.021 |
-0.008 |
0.034 |
0.012 |
Twist |
-0.016 |
-0.180 |
-0.203 |
-0.008 |
0.012 |
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 |
0.605 |
0.384 |
0.081 |
-0.035 |
0.000 |
-0.023 |
Slide |
0.384 |
2.151 |
1.152 |
-0.002 |
-0.002 |
-0.057 |
Rise |
0.081 |
1.152 |
7.190 |
-0.007 |
-0.141 |
-0.224 |
Tilt |
-0.035 |
-0.002 |
-0.007 |
0.020 |
-0.002 |
0.002 |
Roll |
0.000 |
-0.002 |
-0.141 |
-0.002 |
0.018 |
0.013 |
Twist |
-0.023 |
-0.057 |
-0.224 |
0.002 |
0.013 |
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 |
1.398 |
-0.602 |
0.760 |
-0.028 |
0.020 |
0.004 |
Slide |
-0.602 |
4.002 |
0.229 |
-0.027 |
0.026 |
0.034 |
Rise |
0.760 |
0.229 |
7.973 |
-0.054 |
-0.193 |
-0.214 |
Tilt |
-0.028 |
-0.027 |
-0.054 |
0.030 |
0.002 |
0.001 |
Roll |
0.020 |
0.026 |
-0.193 |
0.002 |
0.026 |
0.011 |
Twist |
0.004 |
0.034 |
-0.214 |
0.001 |
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 |
0.764 |
-0.182 |
0.135 |
-0.028 |
-0.029 |
-0.021 |
Slide |
-0.182 |
2.140 |
1.304 |
-0.006 |
0.004 |
-0.106 |
Rise |
0.135 |
1.304 |
6.301 |
0.038 |
-0.094 |
-0.197 |
Tilt |
-0.028 |
-0.006 |
0.038 |
0.024 |
0.001 |
-0.000 |
Roll |
-0.029 |
0.004 |
-0.094 |
0.001 |
0.021 |
0.013 |
Twist |
-0.021 |
-0.106 |
-0.197 |
-0.000 |
0.013 |
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 |
1.404 |
0.632 |
-0.207 |
-0.060 |
-0.006 |
-0.025 |
Slide |
0.632 |
2.264 |
0.603 |
0.071 |
0.013 |
-0.095 |
Rise |
-0.207 |
0.603 |
6.790 |
-0.016 |
-0.108 |
-0.168 |
Tilt |
-0.060 |
0.071 |
-0.016 |
0.026 |
0.002 |
-0.004 |
Roll |
-0.006 |
0.013 |
-0.108 |
0.002 |
0.018 |
0.009 |
Twist |
-0.025 |
-0.095 |
-0.168 |
-0.004 |
0.009 |
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 |
0.573 |
-0.023 |
0.023 |
-0.036 |
0.020 |
0.016 |
Slide |
-0.023 |
2.127 |
1.319 |
-0.017 |
0.030 |
-0.086 |
Rise |
0.023 |
1.319 |
6.412 |
-0.028 |
-0.069 |
-0.192 |
Tilt |
-0.036 |
-0.017 |
-0.028 |
0.025 |
-0.000 |
0.000 |
Roll |
0.020 |
0.030 |
-0.069 |
-0.000 |
0.021 |
0.012 |
Twist |
0.016 |
-0.086 |
-0.192 |
0.000 |
0.012 |
0.028 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.402 |
0.844 |
-0.361 |
-0.012 |
-0.029 |
-0.056 |
Slide |
0.844 |
2.916 |
0.486 |
0.026 |
0.017 |
-0.053 |
Rise |
-0.361 |
0.486 |
6.765 |
0.042 |
-0.156 |
-0.214 |
Tilt |
-0.012 |
0.026 |
0.042 |
0.024 |
0.002 |
0.001 |
Roll |
-0.029 |
0.017 |
-0.156 |
0.002 |
0.027 |
0.013 |
Twist |
-0.056 |
-0.053 |
-0.214 |
0.001 |
0.013 |
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 |
0.725 |
0.174 |
-0.197 |
-0.028 |
-0.021 |
0.019 |
Slide |
0.174 |
2.223 |
1.198 |
0.000 |
0.003 |
-0.130 |
Rise |
-0.197 |
1.198 |
7.533 |
0.029 |
-0.110 |
-0.155 |
Tilt |
-0.028 |
0.000 |
0.029 |
0.021 |
-0.002 |
0.001 |
Roll |
-0.021 |
0.003 |
-0.110 |
-0.002 |
0.022 |
0.012 |
Twist |
0.019 |
-0.130 |
-0.154 |
0.001 |
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 |
1.909 |
-0.373 |
-0.220 |
-0.014 |
0.043 |
0.021 |
Slide |
-0.373 |
3.202 |
1.668 |
-0.085 |
-0.054 |
-0.212 |
Rise |
-0.220 |
1.668 |
4.662 |
-0.019 |
-0.033 |
-0.109 |
Tilt |
-0.014 |
-0.085 |
-0.019 |
0.026 |
-0.001 |
0.002 |
Roll |
0.043 |
-0.054 |
-0.033 |
-0.001 |
0.019 |
0.009 |
Twist |
0.021 |
-0.212 |
-0.109 |
0.002 |
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 |
2.160 |
-0.360 |
-1.008 |
-0.112 |
-0.068 |
0.043 |
Slide |
-0.360 |
4.314 |
1.398 |
-0.000 |
-0.067 |
-0.148 |
Rise |
-1.008 |
1.398 |
10.519 |
0.393 |
0.061 |
-0.110 |
Tilt |
-0.112 |
-0.000 |
0.393 |
0.053 |
0.009 |
-0.001 |
Roll |
-0.068 |
-0.067 |
0.061 |
0.009 |
0.027 |
0.010 |
Twist |
0.043 |
-0.148 |
-0.110 |
-0.001 |
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 |
2.559 |
-0.707 |
-0.636 |
-0.095 |
-0.085 |
0.100 |
Slide |
-0.707 |
2.721 |
1.062 |
0.023 |
0.010 |
-0.105 |
Rise |
-0.636 |
1.062 |
9.591 |
0.360 |
0.048 |
-0.159 |
Tilt |
-0.095 |
0.023 |
0.360 |
0.048 |
0.007 |
-0.006 |
Roll |
-0.085 |
0.010 |
0.048 |
0.007 |
0.021 |
0.005 |
Twist |
0.100 |
-0.105 |
-0.159 |
-0.006 |
0.005 |
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 |
1.383 |
-0.562 |
-0.126 |
-0.050 |
-0.016 |
0.038 |
Slide |
-0.562 |
2.318 |
1.162 |
-0.032 |
-0.048 |
-0.133 |
Rise |
-0.126 |
1.162 |
9.519 |
0.253 |
-0.071 |
-0.165 |
Tilt |
-0.050 |
-0.032 |
0.253 |
0.037 |
0.001 |
0.000 |
Roll |
-0.016 |
-0.048 |
-0.071 |
0.001 |
0.020 |
0.010 |
Twist |
0.038 |
-0.133 |
-0.165 |
0.000 |
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 |
2.278 |
-0.246 |
-1.023 |
-0.094 |
-0.045 |
-0.000 |
Slide |
-0.246 |
2.642 |
1.934 |
0.065 |
0.009 |
-0.103 |
Rise |
-1.023 |
1.934 |
9.117 |
0.319 |
0.124 |
-0.146 |
Tilt |
-0.094 |
0.065 |
0.319 |
0.046 |
0.007 |
0.000 |
Roll |
-0.045 |
0.009 |
0.124 |
0.007 |
0.020 |
0.011 |
Twist |
-0.000 |
-0.103 |
-0.146 |
0.000 |
0.011 |
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 |
1.342 |
-0.576 |
-0.124 |
-0.072 |
-0.016 |
-0.021 |
Slide |
-0.576 |
2.742 |
1.326 |
-0.071 |
-0.043 |
-0.150 |
Rise |
-0.124 |
1.327 |
10.786 |
0.274 |
-0.069 |
-0.173 |
Tilt |
-0.072 |
-0.071 |
0.274 |
0.041 |
0.001 |
0.003 |
Roll |
-0.016 |
-0.043 |
-0.069 |
0.001 |
0.022 |
0.010 |
Twist |
-0.021 |
-0.150 |
-0.173 |
0.003 |
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 |
4.484 |
0.492 |
-2.151 |
-0.175 |
-0.001 |
-0.021 |
Slide |
0.492 |
6.172 |
1.866 |
0.035 |
-0.065 |
-0.387 |
Rise |
-2.152 |
1.866 |
14.581 |
0.560 |
-0.133 |
-0.145 |
Tilt |
-0.175 |
0.035 |
0.560 |
0.060 |
0.005 |
0.002 |
Roll |
-0.001 |
-0.065 |
-0.133 |
0.005 |
0.038 |
0.007 |
Twist |
-0.021 |
-0.387 |
-0.145 |
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 |
1.586 |
-0.581 |
-0.726 |
-0.086 |
-0.006 |
0.060 |
Slide |
-0.581 |
3.111 |
1.359 |
-0.003 |
-0.052 |
-0.103 |
Rise |
-0.726 |
1.359 |
9.683 |
0.293 |
-0.051 |
-0.136 |
Tilt |
-0.086 |
-0.003 |
0.293 |
0.044 |
0.004 |
0.000 |
Roll |
-0.006 |
-0.052 |
-0.051 |
0.004 |
0.028 |
0.010 |
Twist |
0.060 |
-0.103 |
-0.136 |
0.000 |
0.010 |
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 |
1.534 |
-0.475 |
-0.250 |
-0.073 |
-0.020 |
0.005 |
Slide |
-0.475 |
2.825 |
1.779 |
-0.014 |
-0.028 |
-0.167 |
Rise |
-0.251 |
1.779 |
8.508 |
0.202 |
-0.045 |
-0.162 |
Tilt |
-0.073 |
-0.014 |
0.202 |
0.038 |
0.003 |
0.001 |
Roll |
-0.020 |
-0.028 |
-0.045 |
0.003 |
0.023 |
0.009 |
Twist |
0.005 |
-0.167 |
-0.162 |
0.001 |
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 |
3.310 |
-0.010 |
0.021 |
0.006 |
0.014 |
-0.087 |
Slide |
-0.010 |
4.337 |
0.147 |
-0.089 |
0.043 |
-0.273 |
Rise |
0.021 |
0.147 |
8.927 |
0.060 |
-0.056 |
-0.142 |
Tilt |
0.006 |
-0.089 |
0.060 |
0.037 |
0.001 |
-0.001 |
Roll |
0.014 |
0.043 |
-0.056 |
0.001 |
0.023 |
-0.006 |
Twist |
-0.087 |
-0.273 |
-0.142 |
-0.001 |
-0.006 |
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 |
0.796 |
0.028 |
-0.325 |
-0.064 |
-0.018 |
-0.005 |
Slide |
0.028 |
2.619 |
0.619 |
0.013 |
0.019 |
-0.102 |
Rise |
-0.325 |
0.619 |
8.572 |
0.061 |
-0.008 |
-0.197 |
Tilt |
-0.064 |
0.013 |
0.061 |
0.031 |
0.002 |
-0.000 |
Roll |
-0.018 |
0.019 |
-0.008 |
0.002 |
0.014 |
0.003 |
Twist |
-0.005 |
-0.102 |
-0.197 |
-0.000 |
0.003 |
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 |
1.230 |
0.000 |
-0.534 |
0.012 |
-0.017 |
-0.033 |
Slide |
0.000 |
3.194 |
0.092 |
0.003 |
-0.017 |
-0.057 |
Rise |
-0.534 |
0.092 |
8.640 |
0.010 |
-0.111 |
-0.216 |
Tilt |
0.012 |
0.003 |
0.010 |
0.032 |
-0.000 |
-0.003 |
Roll |
-0.017 |
-0.017 |
-0.111 |
-0.000 |
0.020 |
0.009 |
Twist |
-0.033 |
-0.057 |
-0.216 |
-0.003 |
0.009 |
0.032 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.992 |
-0.094 |
-0.768 |
-0.074 |
0.003 |
0.024 |
Slide |
-0.094 |
3.471 |
0.707 |
0.062 |
0.007 |
-0.167 |
Rise |
-0.768 |
0.707 |
8.667 |
-0.017 |
-0.047 |
-0.244 |
Tilt |
-0.074 |
0.062 |
-0.017 |
0.029 |
0.004 |
-0.004 |
Roll |
0.003 |
0.007 |
-0.047 |
0.004 |
0.019 |
0.008 |
Twist |
0.024 |
-0.167 |
-0.244 |
-0.004 |
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 |
2.677 |
-0.680 |
0.441 |
-0.059 |
-0.050 |
-0.080 |
Slide |
-0.680 |
3.750 |
0.163 |
0.036 |
-0.039 |
-0.040 |
Rise |
0.441 |
0.163 |
7.578 |
-0.032 |
-0.207 |
-0.140 |
Tilt |
-0.059 |
0.036 |
-0.032 |
0.032 |
-0.001 |
-0.009 |
Roll |
-0.050 |
-0.039 |
-0.207 |
-0.001 |
0.023 |
0.015 |
Twist |
-0.080 |
-0.040 |
-0.140 |
-0.009 |
0.015 |
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 |
1.737 |
-0.736 |
0.909 |
-0.112 |
-0.010 |
0.172 |
Slide |
-0.736 |
3.974 |
0.093 |
-0.001 |
0.048 |
-0.145 |
Rise |
0.909 |
0.093 |
7.367 |
-0.062 |
-0.148 |
-0.122 |
Tilt |
-0.112 |
-0.001 |
-0.062 |
0.031 |
-0.004 |
-0.006 |
Roll |
-0.010 |
0.048 |
-0.148 |
-0.004 |
0.017 |
0.004 |
Twist |
0.172 |
-0.145 |
-0.122 |
-0.006 |
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 |
0.765 |
0.260 |
-0.490 |
-0.052 |
0.005 |
0.032 |
Slide |
0.260 |
2.444 |
1.321 |
-0.038 |
-0.007 |
-0.194 |
Rise |
-0.490 |
1.321 |
5.063 |
0.038 |
0.033 |
-0.153 |
Tilt |
-0.052 |
-0.038 |
0.038 |
0.025 |
0.001 |
0.003 |
Roll |
0.005 |
-0.007 |
0.033 |
0.001 |
0.015 |
0.003 |
Twist |
0.032 |
-0.194 |
-0.153 |
0.003 |
0.003 |
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 |
2.271 |
-0.143 |
-0.379 |
-0.093 |
0.015 |
-0.048 |
Slide |
-0.143 |
5.152 |
0.874 |
0.009 |
-0.082 |
-0.241 |
Rise |
-0.379 |
0.874 |
8.015 |
0.044 |
-0.047 |
-0.171 |
Tilt |
-0.093 |
0.009 |
0.044 |
0.029 |
-0.000 |
-0.004 |
Roll |
0.015 |
-0.082 |
-0.047 |
-0.000 |
0.024 |
0.012 |
Twist |
-0.048 |
-0.241 |
-0.171 |
-0.004 |
0.012 |
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 |
1.090 |
0.234 |
0.098 |
-0.070 |
-0.017 |
-0.007 |
Slide |
0.234 |
2.996 |
1.363 |
-0.012 |
-0.011 |
-0.112 |
Rise |
0.098 |
1.363 |
9.254 |
-0.025 |
-0.176 |
-0.270 |
Tilt |
-0.070 |
-0.012 |
-0.025 |
0.033 |
-0.000 |
-0.001 |
Roll |
-0.017 |
-0.011 |
-0.176 |
-0.000 |
0.026 |
0.012 |
Twist |
-0.007 |
-0.112 |
-0.270 |
-0.001 |
0.012 |
0.029 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.557 |
0.417 |
-0.093 |
-0.075 |
0.015 |
-0.061 |
Slide |
0.417 |
2.870 |
0.723 |
-0.026 |
0.022 |
-0.178 |
Rise |
-0.093 |
0.723 |
7.905 |
-0.006 |
-0.022 |
-0.216 |
Tilt |
-0.075 |
-0.026 |
-0.006 |
0.029 |
0.001 |
-0.000 |
Roll |
0.015 |
0.022 |
-0.022 |
0.001 |
0.017 |
0.006 |
Twist |
-0.061 |
-0.178 |
-0.216 |
-0.000 |
0.006 |
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 |
2.640 |
-1.099 |
0.409 |
-0.072 |
0.028 |
0.050 |
Slide |
-1.099 |
4.556 |
0.255 |
-0.086 |
-0.022 |
-0.244 |
Rise |
0.409 |
0.255 |
7.085 |
-0.107 |
-0.106 |
-0.108 |
Tilt |
-0.072 |
-0.086 |
-0.107 |
0.030 |
-0.002 |
-0.011 |
Roll |
0.028 |
-0.022 |
-0.106 |
-0.002 |
0.021 |
0.008 |
Twist |
0.050 |
-0.244 |
-0.108 |
-0.011 |
0.008 |
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 |
2.656 |
0.290 |
-0.422 |
-0.136 |
-0.043 |
0.165 |
Slide |
0.290 |
5.217 |
-0.176 |
0.012 |
0.003 |
-0.212 |
Rise |
-0.422 |
-0.176 |
8.730 |
-0.005 |
-0.092 |
-0.176 |
Tilt |
-0.136 |
0.012 |
-0.005 |
0.036 |
0.002 |
-0.002 |
Roll |
-0.043 |
0.003 |
-0.092 |
0.002 |
0.022 |
0.007 |
Twist |
0.165 |
-0.212 |
-0.176 |
-0.002 |
0.007 |
0.079 |
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 |
1.286 |
-0.044 |
-0.418 |
0.004 |
-0.023 |
-0.014 |
Slide |
-0.044 |
3.032 |
0.488 |
0.020 |
-0.030 |
-0.030 |
Rise |
-0.418 |
0.488 |
5.397 |
0.062 |
-0.158 |
-0.195 |
Tilt |
0.004 |
0.020 |
0.062 |
0.027 |
-0.003 |
-0.001 |
Roll |
-0.023 |
-0.030 |
-0.158 |
-0.003 |
0.017 |
0.010 |
Twist |
-0.014 |
-0.030 |
-0.195 |
-0.001 |
0.010 |
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 |
0.983 |
0.404 |
-0.212 |
-0.071 |
-0.000 |
0.044 |
Slide |
0.404 |
1.882 |
1.808 |
-0.013 |
-0.010 |
-0.097 |
Rise |
-0.212 |
1.808 |
6.674 |
-0.023 |
-0.052 |
-0.220 |
Tilt |
-0.071 |
-0.013 |
-0.023 |
0.028 |
0.002 |
0.001 |
Roll |
-0.000 |
-0.010 |
-0.052 |
0.002 |
0.017 |
0.004 |
Twist |
0.044 |
-0.097 |
-0.220 |
0.001 |
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 |
1.594 |
-0.352 |
-0.728 |
-0.016 |
-0.008 |
-0.112 |
Slide |
-0.352 |
3.272 |
1.131 |
0.012 |
-0.122 |
-0.024 |
Rise |
-0.728 |
1.130 |
9.438 |
0.229 |
-0.083 |
-0.200 |
Tilt |
-0.016 |
0.012 |
0.229 |
0.043 |
-0.001 |
-0.006 |
Roll |
-0.008 |
-0.122 |
-0.083 |
-0.001 |
0.028 |
0.017 |
Twist |
-0.112 |
-0.024 |
-0.200 |
-0.006 |
0.017 |
0.038 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.075 |
-0.221 |
-0.983 |
-0.058 |
-0.018 |
-0.084 |
Slide |
-0.221 |
4.178 |
2.109 |
0.042 |
-0.090 |
-0.139 |
Rise |
-0.983 |
2.109 |
9.390 |
0.341 |
-0.054 |
-0.237 |
Tilt |
-0.058 |
0.042 |
0.341 |
0.050 |
-0.000 |
-0.009 |
Roll |
-0.018 |
-0.090 |
-0.054 |
-0.000 |
0.032 |
0.009 |
Twist |
-0.084 |
-0.139 |
-0.237 |
-0.009 |
0.009 |
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 |
3.952 |
1.642 |
-0.617 |
-0.066 |
0.029 |
-0.143 |
Slide |
1.642 |
4.757 |
0.741 |
0.020 |
-0.129 |
-0.282 |
Rise |
-0.617 |
0.741 |
11.526 |
0.426 |
-0.099 |
-0.075 |
Tilt |
-0.066 |
0.020 |
0.426 |
0.061 |
-0.004 |
0.002 |
Roll |
0.029 |
-0.129 |
-0.099 |
-0.004 |
0.038 |
0.016 |
Twist |
-0.143 |
-0.282 |
-0.075 |
0.002 |
0.016 |
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 |
3.824 |
-0.183 |
-0.708 |
-0.051 |
-0.041 |
0.076 |
Slide |
-0.183 |
5.893 |
1.823 |
0.083 |
0.005 |
-0.395 |
Rise |
-0.708 |
1.823 |
8.982 |
0.421 |
0.012 |
-0.066 |
Tilt |
-0.051 |
0.083 |
0.421 |
0.061 |
-0.001 |
-0.005 |
Roll |
-0.041 |
0.005 |
0.012 |
-0.001 |
0.028 |
0.006 |
Twist |
0.076 |
-0.395 |
-0.066 |
-0.005 |
0.006 |
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 |
3.337 |
0.148 |
-0.425 |
0.008 |
-0.044 |
-0.002 |
Slide |
0.148 |
5.247 |
1.227 |
0.012 |
-0.047 |
-0.292 |
Rise |
-0.425 |
1.227 |
8.915 |
0.387 |
0.045 |
-0.130 |
Tilt |
0.008 |
0.012 |
0.387 |
0.049 |
0.003 |
-0.005 |
Roll |
-0.044 |
-0.047 |
0.045 |
0.003 |
0.031 |
0.006 |
Twist |
-0.002 |
-0.292 |
-0.130 |
-0.005 |
0.006 |
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 |
2.180 |
-0.238 |
-0.184 |
0.004 |
-0.032 |
-0.095 |
Slide |
-0.238 |
2.353 |
1.559 |
0.021 |
-0.133 |
-0.068 |
Rise |
-0.184 |
1.559 |
7.081 |
0.129 |
-0.126 |
-0.128 |
Tilt |
0.004 |
0.021 |
0.129 |
0.038 |
-0.007 |
-0.007 |
Roll |
-0.032 |
-0.133 |
-0.126 |
-0.007 |
0.019 |
0.008 |
Twist |
-0.095 |
-0.068 |
-0.128 |
-0.007 |
0.008 |
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 |
2.265 |
-1.076 |
-1.052 |
-0.031 |
-0.038 |
-0.008 |
Slide |
-1.076 |
4.221 |
1.393 |
0.021 |
0.007 |
-0.268 |
Rise |
-1.052 |
1.393 |
8.141 |
0.253 |
0.046 |
-0.169 |
Tilt |
-0.031 |
0.021 |
0.253 |
0.042 |
0.003 |
-0.004 |
Roll |
-0.038 |
0.007 |
0.046 |
0.003 |
0.019 |
-0.005 |
Twist |
-0.008 |
-0.268 |
-0.169 |
-0.004 |
-0.005 |
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 |
1.601 |
-0.930 |
-0.612 |
-0.017 |
0.013 |
0.003 |
Slide |
-0.930 |
2.534 |
0.776 |
-0.018 |
-0.077 |
-0.161 |
Rise |
-0.612 |
0.776 |
8.365 |
0.306 |
0.107 |
-0.189 |
Tilt |
-0.017 |
-0.018 |
0.306 |
0.046 |
0.005 |
-0.007 |
Roll |
0.013 |
-0.077 |
0.107 |
0.005 |
0.020 |
0.012 |
Twist |
0.003 |
-0.161 |
-0.189 |
-0.007 |
0.012 |
0.047 |
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 |
3.637 |
0.589 |
-1.140 |
-0.040 |
-0.043 |
-0.024 |
Slide |
0.589 |
5.498 |
1.911 |
-0.012 |
-0.123 |
-0.253 |
Rise |
-1.140 |
1.911 |
12.001 |
0.403 |
-0.170 |
-0.128 |
Tilt |
-0.040 |
-0.012 |
0.402 |
0.055 |
-0.008 |
0.002 |
Roll |
-0.043 |
-0.123 |
-0.170 |
-0.008 |
0.046 |
0.006 |
Twist |
-0.024 |
-0.253 |
-0.128 |
0.002 |
0.006 |
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 |
2.445 |
-1.195 |
-0.441 |
-0.030 |
0.051 |
-0.029 |
Slide |
-1.195 |
3.908 |
0.614 |
-0.014 |
-0.004 |
-0.226 |
Rise |
-0.442 |
0.614 |
10.366 |
0.171 |
0.028 |
-0.233 |
Tilt |
-0.030 |
-0.014 |
0.171 |
0.045 |
0.003 |
-0.014 |
Roll |
0.051 |
-0.004 |
0.028 |
0.003 |
0.024 |
0.006 |
Twist |
-0.029 |
-0.226 |
-0.233 |
-0.014 |
0.006 |
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 |
2.083 |
-0.337 |
-0.479 |
-0.014 |
0.047 |
-0.072 |
Slide |
-0.337 |
2.744 |
1.410 |
-0.001 |
-0.066 |
-0.142 |
Rise |
-0.479 |
1.410 |
9.049 |
0.160 |
-0.034 |
-0.273 |
Tilt |
-0.014 |
-0.001 |
0.160 |
0.041 |
0.000 |
-0.010 |
Roll |
0.047 |
-0.066 |
-0.034 |
0.000 |
0.024 |
0.013 |
Twist |
-0.072 |
-0.142 |
-0.273 |
-0.010 |
0.013 |
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 |
1.200 |
-0.110 |
0.189 |
0.029 |
-0.015 |
-0.064 |
Slide |
-0.110 |
2.864 |
1.689 |
0.020 |
-0.098 |
-0.160 |
Rise |
0.189 |
1.689 |
9.026 |
0.168 |
-0.119 |
-0.274 |
Tilt |
0.029 |
0.020 |
0.168 |
0.036 |
-0.002 |
-0.009 |
Roll |
-0.015 |
-0.098 |
-0.119 |
-0.002 |
0.023 |
0.012 |
Twist |
-0.064 |
-0.160 |
-0.274 |
-0.009 |
0.012 |
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)