| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.554 |
0.821 |
0.632 |
-0.041 |
0.004 |
0.051 |
Slide |
0.821 |
3.544 |
1.247 |
-0.039 |
-0.066 |
-0.147 |
Rise |
0.632 |
1.247 |
10.869 |
-0.290 |
-0.027 |
-0.239 |
Tilt |
-0.041 |
-0.039 |
-0.290 |
0.051 |
0.000 |
0.010 |
Roll |
0.004 |
-0.066 |
-0.027 |
0.000 |
0.022 |
0.010 |
Twist |
0.051 |
-0.147 |
-0.239 |
0.010 |
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 |
1.771 |
0.166 |
0.053 |
-0.051 |
0.016 |
0.014 |
Slide |
0.166 |
4.310 |
2.906 |
0.005 |
0.006 |
-0.132 |
Rise |
0.053 |
2.906 |
10.563 |
0.040 |
0.060 |
-0.210 |
Tilt |
-0.051 |
0.005 |
0.040 |
0.044 |
0.007 |
0.004 |
Roll |
0.016 |
0.006 |
0.060 |
0.007 |
0.029 |
0.007 |
Twist |
0.014 |
-0.132 |
-0.210 |
0.004 |
0.007 |
0.046 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.278 |
-0.278 |
0.480 |
-0.077 |
0.054 |
0.076 |
Slide |
-0.278 |
2.271 |
2.062 |
-0.023 |
-0.057 |
-0.094 |
Rise |
0.480 |
2.062 |
9.730 |
-0.267 |
-0.072 |
-0.234 |
Tilt |
-0.077 |
-0.023 |
-0.267 |
0.049 |
0.003 |
0.008 |
Roll |
0.054 |
-0.057 |
-0.072 |
0.003 |
0.022 |
0.011 |
Twist |
0.076 |
-0.094 |
-0.234 |
0.008 |
0.011 |
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 |
1.599 |
0.427 |
0.238 |
-0.059 |
0.041 |
0.063 |
Slide |
0.427 |
2.372 |
1.705 |
-0.001 |
-0.034 |
-0.091 |
Rise |
0.238 |
1.705 |
8.305 |
-0.182 |
-0.017 |
-0.179 |
Tilt |
-0.059 |
-0.001 |
-0.182 |
0.042 |
0.001 |
0.005 |
Roll |
0.041 |
-0.034 |
-0.017 |
0.001 |
0.024 |
0.007 |
Twist |
0.063 |
-0.091 |
-0.179 |
0.005 |
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 |
1.253 |
0.402 |
0.498 |
-0.064 |
0.035 |
0.053 |
Slide |
0.401 |
2.735 |
1.920 |
-0.038 |
-0.033 |
-0.111 |
Rise |
0.498 |
1.920 |
10.341 |
-0.266 |
-0.028 |
-0.245 |
Tilt |
-0.064 |
-0.038 |
-0.266 |
0.049 |
0.002 |
0.010 |
Roll |
0.035 |
-0.033 |
-0.028 |
0.002 |
0.022 |
0.008 |
Twist |
0.053 |
-0.111 |
-0.245 |
0.010 |
0.008 |
0.030 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.744 |
-0.030 |
0.343 |
-0.063 |
-0.006 |
-0.013 |
Slide |
-0.030 |
2.477 |
0.544 |
-0.003 |
0.020 |
-0.110 |
Rise |
0.343 |
0.543 |
7.557 |
0.029 |
-0.099 |
-0.213 |
Tilt |
-0.063 |
-0.003 |
0.029 |
0.026 |
-0.001 |
0.001 |
Roll |
-0.006 |
0.020 |
-0.099 |
-0.001 |
0.018 |
0.009 |
Twist |
-0.013 |
-0.110 |
-0.213 |
0.001 |
0.009 |
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 |
0.856 |
-0.229 |
0.497 |
-0.072 |
0.007 |
-0.020 |
Slide |
-0.229 |
2.976 |
0.560 |
-0.009 |
0.027 |
-0.118 |
Rise |
0.497 |
0.560 |
8.866 |
-0.018 |
-0.111 |
-0.238 |
Tilt |
-0.072 |
-0.009 |
-0.018 |
0.030 |
-0.002 |
0.000 |
Roll |
0.007 |
0.027 |
-0.111 |
-0.002 |
0.020 |
0.011 |
Twist |
-0.020 |
-0.118 |
-0.238 |
0.000 |
0.011 |
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 |
1.091 |
0.112 |
-0.164 |
-0.129 |
0.012 |
0.004 |
Slide |
0.112 |
3.340 |
0.528 |
0.020 |
0.028 |
-0.121 |
Rise |
-0.164 |
0.528 |
8.279 |
0.015 |
-0.061 |
-0.244 |
Tilt |
-0.129 |
0.020 |
0.015 |
0.034 |
0.001 |
0.001 |
Roll |
0.012 |
0.028 |
-0.061 |
0.001 |
0.017 |
0.006 |
Twist |
0.004 |
-0.121 |
-0.244 |
0.001 |
0.006 |
0.023 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.708 |
-0.775 |
-0.641 |
-0.063 |
-0.023 |
-0.082 |
Slide |
-0.775 |
2.864 |
1.643 |
-0.012 |
-0.035 |
-0.110 |
Rise |
-0.641 |
1.643 |
9.564 |
0.226 |
-0.017 |
-0.194 |
Tilt |
-0.063 |
-0.012 |
0.226 |
0.048 |
-0.001 |
-0.006 |
Roll |
-0.023 |
-0.035 |
-0.017 |
-0.001 |
0.022 |
0.007 |
Twist |
-0.082 |
-0.110 |
-0.194 |
-0.006 |
0.007 |
0.043 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.881 |
0.873 |
1.095 |
-0.115 |
0.038 |
-0.018 |
Slide |
0.873 |
2.533 |
0.991 |
0.016 |
-0.007 |
-0.136 |
Rise |
1.095 |
0.991 |
10.563 |
-0.336 |
0.014 |
-0.139 |
Tilt |
-0.115 |
0.016 |
-0.336 |
0.049 |
-0.005 |
-0.001 |
Roll |
0.038 |
-0.007 |
0.014 |
-0.005 |
0.025 |
0.008 |
Twist |
-0.018 |
-0.136 |
-0.139 |
-0.001 |
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 |
1.009 |
0.412 |
0.496 |
-0.082 |
0.009 |
0.006 |
Slide |
0.412 |
2.587 |
0.846 |
0.023 |
-0.046 |
-0.141 |
Rise |
0.496 |
0.846 |
10.674 |
-0.303 |
-0.018 |
-0.183 |
Tilt |
-0.082 |
0.023 |
-0.303 |
0.046 |
-0.002 |
0.001 |
Roll |
0.009 |
-0.046 |
-0.018 |
-0.002 |
0.022 |
0.008 |
Twist |
0.006 |
-0.141 |
-0.183 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.089 |
-0.568 |
0.014 |
-0.144 |
-0.005 |
0.015 |
Slide |
-0.568 |
3.064 |
3.195 |
0.011 |
0.050 |
-0.060 |
Rise |
0.014 |
3.195 |
12.060 |
0.044 |
0.121 |
-0.246 |
Tilt |
-0.144 |
0.011 |
0.044 |
0.044 |
0.001 |
0.001 |
Roll |
-0.005 |
0.050 |
0.121 |
0.001 |
0.027 |
0.008 |
Twist |
0.015 |
-0.060 |
-0.246 |
0.001 |
0.008 |
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 |
1.282 |
0.112 |
0.135 |
-0.133 |
0.004 |
-0.014 |
Slide |
0.112 |
3.169 |
2.625 |
0.002 |
0.071 |
-0.101 |
Rise |
0.135 |
2.625 |
11.577 |
-0.018 |
0.141 |
-0.242 |
Tilt |
-0.133 |
0.002 |
-0.018 |
0.043 |
0.000 |
-0.000 |
Roll |
0.004 |
0.071 |
0.141 |
0.000 |
0.026 |
0.007 |
Twist |
-0.014 |
-0.101 |
-0.242 |
-0.000 |
0.007 |
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 |
1.940 |
0.427 |
0.701 |
-0.158 |
0.031 |
0.023 |
Slide |
0.427 |
1.733 |
1.706 |
0.004 |
0.001 |
-0.080 |
Rise |
0.701 |
1.706 |
9.769 |
-0.281 |
-0.021 |
-0.160 |
Tilt |
-0.158 |
0.004 |
-0.281 |
0.053 |
-0.003 |
0.000 |
Roll |
0.031 |
0.001 |
-0.021 |
-0.003 |
0.022 |
0.006 |
Twist |
0.023 |
-0.080 |
-0.160 |
0.000 |
0.006 |
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 |
0.768 |
0.090 |
-0.482 |
-0.063 |
0.008 |
0.004 |
Slide |
0.090 |
2.838 |
0.553 |
-0.000 |
0.009 |
-0.135 |
Rise |
-0.482 |
0.553 |
8.361 |
0.010 |
-0.119 |
-0.232 |
Tilt |
-0.063 |
-0.000 |
0.010 |
0.028 |
0.001 |
-0.000 |
Roll |
0.008 |
0.009 |
-0.119 |
0.001 |
0.021 |
0.011 |
Twist |
0.004 |
-0.135 |
-0.232 |
-0.000 |
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)