| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.740 |
0.408 |
0.530 |
-0.056 |
-0.003 |
0.057 |
Slide |
0.408 |
2.826 |
1.219 |
-0.014 |
-0.085 |
-0.117 |
Rise |
0.530 |
1.219 |
10.436 |
-0.263 |
-0.055 |
-0.214 |
Tilt |
-0.056 |
-0.014 |
-0.263 |
0.047 |
0.000 |
0.007 |
Roll |
-0.003 |
-0.085 |
-0.055 |
0.000 |
0.023 |
0.011 |
Twist |
0.057 |
-0.117 |
-0.214 |
0.007 |
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 |
1.641 |
-0.290 |
0.421 |
-0.058 |
0.013 |
0.040 |
Slide |
-0.290 |
4.559 |
3.417 |
-0.044 |
-0.005 |
-0.083 |
Rise |
0.421 |
3.417 |
11.139 |
0.029 |
0.081 |
-0.224 |
Tilt |
-0.058 |
-0.044 |
0.029 |
0.046 |
0.006 |
0.007 |
Roll |
0.013 |
-0.005 |
0.081 |
0.006 |
0.028 |
0.011 |
Twist |
0.040 |
-0.083 |
-0.224 |
0.007 |
0.011 |
0.042 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.154 |
0.538 |
0.685 |
-0.092 |
0.038 |
0.093 |
Slide |
0.538 |
3.196 |
1.626 |
0.022 |
-0.052 |
-0.125 |
Rise |
0.685 |
1.626 |
8.718 |
-0.181 |
-0.057 |
-0.158 |
Tilt |
-0.092 |
0.022 |
-0.181 |
0.048 |
0.003 |
0.006 |
Roll |
0.038 |
-0.052 |
-0.057 |
0.003 |
0.023 |
0.006 |
Twist |
0.093 |
-0.125 |
-0.158 |
0.006 |
0.006 |
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 |
1.397 |
-0.006 |
-0.013 |
0.020 |
0.007 |
0.007 |
Slide |
-0.006 |
4.718 |
3.394 |
-0.009 |
-0.074 |
-0.059 |
Rise |
-0.013 |
3.394 |
11.893 |
-0.011 |
0.052 |
-0.154 |
Tilt |
0.020 |
-0.009 |
-0.011 |
0.043 |
0.000 |
0.001 |
Roll |
0.007 |
-0.074 |
0.052 |
0.000 |
0.030 |
0.013 |
Twist |
0.007 |
-0.059 |
-0.154 |
0.001 |
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 |
0.891 |
0.268 |
0.165 |
-0.099 |
0.013 |
-0.057 |
Slide |
0.268 |
2.908 |
1.325 |
-0.007 |
0.016 |
-0.130 |
Rise |
0.165 |
1.325 |
7.385 |
0.038 |
-0.071 |
-0.225 |
Tilt |
-0.099 |
-0.007 |
0.038 |
0.031 |
-0.001 |
0.003 |
Roll |
0.013 |
0.016 |
-0.071 |
-0.001 |
0.017 |
0.008 |
Twist |
-0.057 |
-0.130 |
-0.225 |
0.003 |
0.008 |
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 |
1.342 |
-0.256 |
-0.075 |
-0.107 |
0.002 |
-0.030 |
Slide |
-0.256 |
3.418 |
0.426 |
0.002 |
0.005 |
-0.133 |
Rise |
-0.075 |
0.426 |
9.177 |
0.008 |
-0.123 |
-0.294 |
Tilt |
-0.107 |
0.002 |
0.008 |
0.033 |
-0.001 |
-0.000 |
Roll |
0.002 |
0.005 |
-0.123 |
-0.001 |
0.020 |
0.009 |
Twist |
-0.030 |
-0.133 |
-0.294 |
-0.000 |
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 |
1.285 |
-0.158 |
-0.140 |
-0.146 |
0.014 |
0.012 |
Slide |
-0.158 |
2.683 |
1.426 |
-0.016 |
0.023 |
-0.074 |
Rise |
-0.140 |
1.426 |
6.965 |
-0.034 |
-0.073 |
-0.198 |
Tilt |
-0.146 |
-0.016 |
-0.034 |
0.032 |
-0.002 |
0.001 |
Roll |
0.014 |
0.023 |
-0.073 |
-0.002 |
0.015 |
0.003 |
Twist |
0.012 |
-0.074 |
-0.198 |
0.001 |
0.003 |
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 |
1.618 |
-0.701 |
-0.498 |
-0.050 |
-0.027 |
-0.072 |
Slide |
-0.701 |
2.709 |
1.675 |
-0.007 |
-0.031 |
-0.108 |
Rise |
-0.498 |
1.675 |
10.291 |
0.263 |
-0.008 |
-0.224 |
Tilt |
-0.050 |
-0.007 |
0.263 |
0.049 |
-0.002 |
-0.010 |
Roll |
-0.027 |
-0.031 |
-0.008 |
-0.002 |
0.022 |
0.009 |
Twist |
-0.072 |
-0.108 |
-0.224 |
-0.010 |
0.009 |
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 |
1.942 |
0.643 |
0.629 |
-0.104 |
0.013 |
-0.041 |
Slide |
0.643 |
3.197 |
1.212 |
0.038 |
-0.049 |
-0.127 |
Rise |
0.629 |
1.212 |
11.734 |
-0.334 |
-0.012 |
-0.184 |
Tilt |
-0.104 |
0.038 |
-0.334 |
0.048 |
-0.004 |
-0.002 |
Roll |
0.013 |
-0.049 |
-0.012 |
-0.004 |
0.024 |
0.011 |
Twist |
-0.041 |
-0.127 |
-0.184 |
-0.002 |
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 |
1.287 |
0.416 |
0.768 |
-0.104 |
0.025 |
0.015 |
Slide |
0.416 |
2.611 |
1.209 |
0.011 |
-0.042 |
-0.123 |
Rise |
0.768 |
1.209 |
10.727 |
-0.348 |
-0.012 |
-0.178 |
Tilt |
-0.104 |
0.011 |
-0.348 |
0.046 |
-0.004 |
0.002 |
Roll |
0.025 |
-0.042 |
-0.012 |
-0.004 |
0.023 |
0.011 |
Twist |
0.015 |
-0.123 |
-0.178 |
0.002 |
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 |
1.908 |
-0.549 |
0.121 |
-0.113 |
-0.001 |
0.026 |
Slide |
-0.549 |
2.870 |
2.440 |
0.028 |
0.039 |
-0.104 |
Rise |
0.121 |
2.440 |
12.035 |
0.077 |
0.134 |
-0.204 |
Tilt |
-0.113 |
0.028 |
0.077 |
0.045 |
0.002 |
-0.000 |
Roll |
-0.001 |
0.039 |
0.134 |
0.002 |
0.026 |
0.005 |
Twist |
0.026 |
-0.104 |
-0.204 |
-0.000 |
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 |
1.899 |
-0.726 |
-0.091 |
-0.127 |
-0.013 |
0.027 |
Slide |
-0.726 |
3.461 |
3.354 |
-0.010 |
0.026 |
-0.079 |
Rise |
-0.091 |
3.355 |
11.433 |
0.033 |
0.090 |
-0.227 |
Tilt |
-0.127 |
-0.010 |
0.034 |
0.043 |
-0.000 |
0.001 |
Roll |
-0.013 |
0.026 |
0.090 |
-0.000 |
0.026 |
0.009 |
Twist |
0.027 |
-0.079 |
-0.227 |
0.001 |
0.009 |
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 |
1.594 |
0.536 |
0.457 |
-0.129 |
0.027 |
0.025 |
Slide |
0.536 |
2.068 |
1.478 |
0.026 |
-0.012 |
-0.080 |
Rise |
0.457 |
1.478 |
11.069 |
-0.334 |
-0.019 |
-0.192 |
Tilt |
-0.129 |
0.026 |
-0.334 |
0.055 |
-0.001 |
0.002 |
Roll |
0.027 |
-0.012 |
-0.019 |
-0.001 |
0.022 |
0.007 |
Twist |
0.025 |
-0.080 |
-0.192 |
0.002 |
0.007 |
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 |
0.742 |
0.042 |
-0.440 |
-0.076 |
0.005 |
0.008 |
Slide |
0.042 |
3.195 |
0.463 |
-0.010 |
0.029 |
-0.131 |
Rise |
-0.440 |
0.463 |
9.054 |
-0.020 |
-0.130 |
-0.270 |
Tilt |
-0.076 |
-0.010 |
-0.020 |
0.031 |
0.000 |
-0.001 |
Roll |
0.005 |
0.029 |
-0.130 |
0.000 |
0.021 |
0.011 |
Twist |
0.008 |
-0.131 |
-0.270 |
-0.001 |
0.011 |
0.026 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.780 |
-0.232 |
-0.116 |
-0.078 |
0.002 |
0.041 |
Slide |
-0.232 |
2.675 |
0.918 |
0.000 |
0.014 |
-0.113 |
Rise |
-0.116 |
0.918 |
7.582 |
-0.057 |
-0.087 |
-0.203 |
Tilt |
-0.078 |
0.000 |
-0.057 |
0.027 |
0.001 |
-0.001 |
Roll |
0.002 |
0.014 |
-0.087 |
0.001 |
0.016 |
0.008 |
Twist |
0.041 |
-0.113 |
-0.203 |
-0.001 |
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)