| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.505 |
-0.346 |
0.222 |
-0.047 |
0.032 |
0.051 |
Slide |
-0.346 |
4.304 |
2.918 |
-0.056 |
-0.011 |
-0.091 |
Rise |
0.222 |
2.918 |
10.978 |
0.042 |
0.046 |
-0.224 |
Tilt |
-0.047 |
-0.056 |
0.042 |
0.045 |
0.006 |
0.006 |
Roll |
0.032 |
-0.011 |
0.046 |
0.006 |
0.028 |
0.013 |
Twist |
0.051 |
-0.091 |
-0.224 |
0.006 |
0.013 |
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 |
0.916 |
0.264 |
0.247 |
-0.040 |
0.028 |
0.045 |
Slide |
0.264 |
2.475 |
1.497 |
-0.007 |
-0.030 |
-0.098 |
Rise |
0.247 |
1.497 |
11.295 |
-0.278 |
-0.035 |
-0.230 |
Tilt |
-0.040 |
-0.007 |
-0.278 |
0.047 |
0.002 |
0.009 |
Roll |
0.028 |
-0.030 |
-0.035 |
0.002 |
0.019 |
0.006 |
Twist |
0.045 |
-0.098 |
-0.230 |
0.009 |
0.006 |
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 |
1.208 |
-0.403 |
0.068 |
-0.139 |
0.009 |
0.014 |
Slide |
-0.403 |
3.457 |
0.749 |
-0.013 |
0.010 |
-0.125 |
Rise |
0.068 |
0.749 |
8.974 |
-0.013 |
-0.079 |
-0.270 |
Tilt |
-0.139 |
-0.013 |
-0.013 |
0.035 |
-0.001 |
-0.000 |
Roll |
0.009 |
0.010 |
-0.079 |
-0.001 |
0.018 |
0.007 |
Twist |
0.014 |
-0.125 |
-0.270 |
-0.000 |
0.007 |
0.029 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.433 |
-0.683 |
-0.571 |
-0.048 |
-0.016 |
-0.080 |
Slide |
-0.683 |
2.980 |
1.587 |
-0.004 |
-0.028 |
-0.088 |
Rise |
-0.571 |
1.588 |
11.372 |
0.300 |
-0.039 |
-0.214 |
Tilt |
-0.048 |
-0.004 |
0.300 |
0.054 |
-0.003 |
-0.010 |
Roll |
-0.016 |
-0.028 |
-0.039 |
-0.003 |
0.020 |
0.008 |
Twist |
-0.080 |
-0.088 |
-0.214 |
-0.010 |
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 |
1.918 |
-0.453 |
-0.463 |
-0.080 |
-0.041 |
-0.079 |
Slide |
-0.453 |
2.625 |
1.666 |
0.009 |
-0.041 |
-0.119 |
Rise |
-0.463 |
1.666 |
8.245 |
0.203 |
-0.041 |
-0.168 |
Tilt |
-0.080 |
0.009 |
0.203 |
0.047 |
-0.002 |
-0.008 |
Roll |
-0.041 |
-0.041 |
-0.041 |
-0.002 |
0.024 |
0.006 |
Twist |
-0.079 |
-0.119 |
-0.168 |
-0.008 |
0.006 |
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 |
1.867 |
0.704 |
0.645 |
-0.112 |
0.012 |
-0.045 |
Slide |
0.704 |
3.629 |
1.245 |
0.031 |
-0.033 |
-0.157 |
Rise |
0.645 |
1.245 |
11.367 |
-0.323 |
-0.007 |
-0.185 |
Tilt |
-0.112 |
0.031 |
-0.323 |
0.049 |
-0.003 |
0.002 |
Roll |
0.012 |
-0.033 |
-0.007 |
-0.003 |
0.021 |
0.008 |
Twist |
-0.045 |
-0.157 |
-0.185 |
0.002 |
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 |
2.374 |
-0.137 |
-0.112 |
-0.146 |
-0.004 |
0.002 |
Slide |
-0.137 |
3.604 |
3.182 |
0.026 |
0.042 |
-0.080 |
Rise |
-0.112 |
3.182 |
12.225 |
0.026 |
0.109 |
-0.204 |
Tilt |
-0.146 |
0.026 |
0.026 |
0.045 |
0.001 |
-0.001 |
Roll |
-0.004 |
0.042 |
0.109 |
0.001 |
0.030 |
0.005 |
Twist |
0.002 |
-0.080 |
-0.204 |
-0.001 |
0.005 |
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 |
2.051 |
0.759 |
0.697 |
-0.160 |
0.040 |
0.026 |
Slide |
0.759 |
2.269 |
1.730 |
0.009 |
-0.005 |
-0.079 |
Rise |
0.697 |
1.730 |
11.706 |
-0.369 |
0.000 |
-0.222 |
Tilt |
-0.160 |
0.009 |
-0.369 |
0.061 |
-0.005 |
0.003 |
Roll |
0.040 |
-0.005 |
0.000 |
-0.005 |
0.025 |
0.008 |
Twist |
0.026 |
-0.079 |
-0.222 |
0.003 |
0.008 |
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 |
1.380 |
0.070 |
0.925 |
-0.156 |
0.047 |
0.055 |
Slide |
0.070 |
1.622 |
1.944 |
-0.028 |
0.013 |
-0.099 |
Rise |
0.925 |
1.944 |
9.910 |
-0.334 |
0.015 |
-0.185 |
Tilt |
-0.156 |
-0.028 |
-0.334 |
0.051 |
-0.005 |
0.002 |
Roll |
0.047 |
0.013 |
0.015 |
-0.005 |
0.022 |
0.006 |
Twist |
0.055 |
-0.099 |
-0.185 |
0.002 |
0.006 |
0.037 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.634 |
0.279 |
0.657 |
-0.140 |
0.036 |
0.015 |
Slide |
0.279 |
1.585 |
1.677 |
-0.007 |
0.002 |
-0.074 |
Rise |
0.657 |
1.677 |
8.648 |
-0.261 |
-0.022 |
-0.173 |
Tilt |
-0.140 |
-0.007 |
-0.261 |
0.049 |
-0.002 |
0.002 |
Roll |
0.036 |
0.002 |
-0.022 |
-0.002 |
0.021 |
0.005 |
Twist |
0.015 |
-0.074 |
-0.173 |
0.002 |
0.005 |
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 |
0.998 |
0.088 |
-0.477 |
-0.033 |
-0.024 |
-0.035 |
Slide |
0.088 |
4.293 |
3.163 |
0.021 |
0.047 |
-0.128 |
Rise |
-0.477 |
3.163 |
11.790 |
-0.036 |
0.130 |
-0.207 |
Tilt |
-0.033 |
0.021 |
-0.036 |
0.044 |
-0.005 |
-0.005 |
Roll |
-0.024 |
0.047 |
0.130 |
-0.005 |
0.023 |
0.007 |
Twist |
-0.035 |
-0.128 |
-0.207 |
-0.005 |
0.007 |
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 |
0.393 |
0.028 |
-0.126 |
-0.043 |
0.007 |
0.007 |
Slide |
0.028 |
2.894 |
0.461 |
-0.002 |
0.015 |
-0.163 |
Rise |
-0.126 |
0.462 |
9.080 |
-0.002 |
-0.129 |
-0.243 |
Tilt |
-0.043 |
-0.002 |
-0.002 |
0.025 |
0.000 |
0.002 |
Roll |
0.007 |
0.015 |
-0.129 |
0.000 |
0.019 |
0.013 |
Twist |
0.007 |
-0.163 |
-0.243 |
0.002 |
0.013 |
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 |
0.831 |
0.093 |
-0.433 |
-0.083 |
0.007 |
0.029 |
Slide |
0.093 |
2.170 |
1.081 |
0.006 |
0.019 |
-0.089 |
Rise |
-0.433 |
1.081 |
7.451 |
-0.000 |
-0.083 |
-0.232 |
Tilt |
-0.083 |
0.006 |
-0.000 |
0.029 |
0.002 |
-0.002 |
Roll |
0.007 |
0.019 |
-0.083 |
0.002 |
0.017 |
0.009 |
Twist |
0.029 |
-0.089 |
-0.232 |
-0.002 |
0.009 |
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 |
0.960 |
-0.077 |
-0.201 |
-0.080 |
0.004 |
-0.002 |
Slide |
-0.077 |
2.879 |
0.524 |
-0.020 |
0.035 |
-0.111 |
Rise |
-0.201 |
0.524 |
8.324 |
-0.036 |
-0.123 |
-0.233 |
Tilt |
-0.080 |
-0.020 |
-0.036 |
0.030 |
0.001 |
-0.002 |
Roll |
0.004 |
0.035 |
-0.123 |
0.001 |
0.019 |
0.010 |
Twist |
-0.002 |
-0.111 |
-0.233 |
-0.002 |
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 |
1.529 |
-0.618 |
-0.630 |
-0.051 |
0.003 |
-0.038 |
Slide |
-0.618 |
2.882 |
1.043 |
0.011 |
-0.069 |
-0.123 |
Rise |
-0.630 |
1.043 |
10.221 |
0.259 |
-0.032 |
-0.229 |
Tilt |
-0.051 |
0.011 |
0.259 |
0.048 |
0.000 |
-0.009 |
Roll |
0.003 |
-0.069 |
-0.032 |
0.000 |
0.024 |
0.010 |
Twist |
-0.038 |
-0.123 |
-0.229 |
-0.009 |
0.010 |
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)