| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.813 |
1.054 |
0.683 |
-0.037 |
0.016 |
-0.000 |
Slide |
1.054 |
3.163 |
1.624 |
-0.007 |
-0.040 |
-0.150 |
Rise |
0.683 |
1.624 |
9.735 |
-0.231 |
-0.046 |
-0.218 |
Tilt |
-0.037 |
-0.007 |
-0.231 |
0.048 |
0.001 |
0.009 |
Roll |
0.016 |
-0.040 |
-0.046 |
0.001 |
0.020 |
0.009 |
Twist |
-0.000 |
-0.150 |
-0.218 |
0.009 |
0.009 |
0.039 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.922 |
0.993 |
0.373 |
-0.029 |
0.001 |
0.050 |
Slide |
0.993 |
3.357 |
0.785 |
-0.011 |
-0.091 |
-0.151 |
Rise |
0.373 |
0.785 |
10.457 |
-0.273 |
-0.011 |
-0.149 |
Tilt |
-0.029 |
-0.011 |
-0.273 |
0.049 |
0.000 |
0.007 |
Roll |
0.001 |
-0.091 |
-0.011 |
0.000 |
0.024 |
0.007 |
Twist |
0.050 |
-0.151 |
-0.149 |
0.007 |
0.007 |
0.031 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.025 |
0.446 |
0.309 |
-0.036 |
-0.020 |
0.023 |
Slide |
0.446 |
3.961 |
3.035 |
0.009 |
-0.007 |
-0.123 |
Rise |
0.310 |
3.035 |
10.637 |
0.064 |
0.078 |
-0.187 |
Tilt |
-0.036 |
0.009 |
0.064 |
0.044 |
0.006 |
0.005 |
Roll |
-0.020 |
-0.007 |
0.078 |
0.006 |
0.023 |
0.008 |
Twist |
0.023 |
-0.123 |
-0.187 |
0.005 |
0.008 |
0.036 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.395 |
0.563 |
0.309 |
-0.045 |
0.025 |
0.062 |
Slide |
0.563 |
2.520 |
1.744 |
-0.020 |
-0.048 |
-0.113 |
Rise |
0.309 |
1.744 |
10.506 |
-0.251 |
0.010 |
-0.213 |
Tilt |
-0.045 |
-0.020 |
-0.251 |
0.046 |
-0.001 |
0.007 |
Roll |
0.025 |
-0.048 |
0.010 |
-0.001 |
0.022 |
0.006 |
Twist |
0.062 |
-0.113 |
-0.213 |
0.007 |
0.006 |
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 |
1.707 |
0.366 |
0.227 |
-0.064 |
0.029 |
0.042 |
Slide |
0.366 |
2.552 |
1.834 |
-0.006 |
-0.061 |
-0.097 |
Rise |
0.227 |
1.834 |
8.392 |
-0.188 |
-0.040 |
-0.194 |
Tilt |
-0.064 |
-0.006 |
-0.188 |
0.045 |
0.002 |
0.006 |
Roll |
0.029 |
-0.061 |
-0.040 |
0.002 |
0.022 |
0.004 |
Twist |
0.042 |
-0.097 |
-0.194 |
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 |
2.538 |
0.467 |
0.486 |
-0.065 |
0.024 |
0.078 |
Slide |
0.467 |
3.429 |
1.374 |
0.025 |
-0.061 |
-0.187 |
Rise |
0.486 |
1.374 |
7.716 |
-0.150 |
-0.059 |
-0.113 |
Tilt |
-0.065 |
0.025 |
-0.150 |
0.040 |
0.004 |
0.002 |
Roll |
0.024 |
-0.061 |
-0.059 |
0.004 |
0.025 |
0.006 |
Twist |
0.078 |
-0.187 |
-0.113 |
0.002 |
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 |
1.404 |
-0.116 |
0.172 |
0.016 |
0.022 |
0.000 |
Slide |
-0.116 |
4.467 |
2.674 |
-0.028 |
-0.017 |
-0.098 |
Rise |
0.172 |
2.674 |
10.708 |
-0.012 |
0.057 |
-0.160 |
Tilt |
0.016 |
-0.028 |
-0.012 |
0.044 |
-0.000 |
-0.000 |
Roll |
0.022 |
-0.017 |
0.057 |
-0.000 |
0.027 |
0.007 |
Twist |
0.000 |
-0.098 |
-0.160 |
-0.000 |
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 |
0.767 |
-0.042 |
0.353 |
-0.080 |
0.011 |
-0.008 |
Slide |
-0.042 |
2.861 |
0.555 |
0.003 |
0.018 |
-0.116 |
Rise |
0.353 |
0.555 |
8.713 |
0.001 |
-0.110 |
-0.240 |
Tilt |
-0.080 |
0.003 |
0.001 |
0.030 |
-0.000 |
0.001 |
Roll |
0.011 |
0.018 |
-0.110 |
-0.000 |
0.019 |
0.010 |
Twist |
-0.008 |
-0.116 |
-0.240 |
0.001 |
0.010 |
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 |
0.896 |
-0.075 |
0.408 |
-0.071 |
-0.005 |
-0.014 |
Slide |
-0.075 |
2.466 |
0.987 |
0.005 |
0.017 |
-0.105 |
Rise |
0.408 |
0.987 |
7.334 |
-0.012 |
-0.096 |
-0.221 |
Tilt |
-0.071 |
0.005 |
-0.012 |
0.031 |
-0.002 |
0.001 |
Roll |
-0.005 |
0.017 |
-0.097 |
-0.002 |
0.019 |
0.010 |
Twist |
-0.014 |
-0.105 |
-0.221 |
0.001 |
0.010 |
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 |
1.360 |
-0.560 |
-0.467 |
-0.102 |
-0.034 |
-0.021 |
Slide |
-0.560 |
1.750 |
1.596 |
-0.022 |
-0.009 |
-0.095 |
Rise |
-0.467 |
1.596 |
9.961 |
0.302 |
-0.032 |
-0.176 |
Tilt |
-0.102 |
-0.022 |
0.302 |
0.048 |
0.003 |
0.003 |
Roll |
-0.034 |
-0.009 |
-0.032 |
0.003 |
0.021 |
0.009 |
Twist |
-0.021 |
-0.095 |
-0.176 |
0.003 |
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 |
1.288 |
0.597 |
1.108 |
-0.121 |
0.023 |
-0.013 |
Slide |
0.597 |
2.458 |
1.337 |
-0.003 |
-0.025 |
-0.114 |
Rise |
1.108 |
1.337 |
10.056 |
-0.295 |
-0.005 |
-0.180 |
Tilt |
-0.121 |
-0.003 |
-0.295 |
0.044 |
-0.004 |
0.002 |
Roll |
0.023 |
-0.025 |
-0.005 |
-0.004 |
0.023 |
0.010 |
Twist |
-0.013 |
-0.114 |
-0.180 |
0.002 |
0.010 |
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 |
1.310 |
-0.162 |
0.790 |
-0.148 |
0.043 |
0.068 |
Slide |
-0.162 |
1.533 |
1.800 |
-0.005 |
0.002 |
-0.073 |
Rise |
0.790 |
1.800 |
9.842 |
-0.321 |
-0.007 |
-0.169 |
Tilt |
-0.148 |
-0.005 |
-0.321 |
0.051 |
-0.002 |
-0.001 |
Roll |
0.043 |
0.002 |
-0.007 |
-0.002 |
0.019 |
0.008 |
Twist |
0.068 |
-0.073 |
-0.169 |
-0.001 |
0.008 |
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 |
1.308 |
-0.630 |
-0.199 |
-0.035 |
0.005 |
-0.039 |
Slide |
-0.630 |
4.184 |
3.042 |
-0.003 |
0.035 |
-0.115 |
Rise |
-0.199 |
3.042 |
11.002 |
-0.024 |
0.098 |
-0.173 |
Tilt |
-0.035 |
-0.003 |
-0.024 |
0.048 |
-0.006 |
-0.005 |
Roll |
0.005 |
0.035 |
0.098 |
-0.006 |
0.025 |
0.007 |
Twist |
-0.039 |
-0.115 |
-0.173 |
-0.005 |
0.007 |
0.044 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.573 |
-0.215 |
0.157 |
-0.050 |
0.011 |
0.010 |
Slide |
-0.215 |
2.224 |
1.198 |
-0.016 |
0.016 |
-0.120 |
Rise |
0.157 |
1.198 |
7.919 |
-0.023 |
-0.106 |
-0.237 |
Tilt |
-0.050 |
-0.016 |
-0.023 |
0.028 |
-0.001 |
-0.001 |
Roll |
0.011 |
0.016 |
-0.106 |
-0.001 |
0.018 |
0.012 |
Twist |
0.010 |
-0.120 |
-0.237 |
-0.001 |
0.012 |
0.031 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.399 |
0.088 |
-0.086 |
-0.039 |
-0.001 |
-0.005 |
Slide |
0.088 |
2.728 |
0.759 |
0.005 |
0.013 |
-0.148 |
Rise |
-0.086 |
0.759 |
8.193 |
0.007 |
-0.105 |
-0.222 |
Tilt |
-0.039 |
0.005 |
0.007 |
0.027 |
0.000 |
0.001 |
Roll |
-0.001 |
0.013 |
-0.105 |
0.000 |
0.019 |
0.013 |
Twist |
-0.005 |
-0.148 |
-0.222 |
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)