| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.444 |
-0.546 |
0.004 |
-0.026 |
0.028 |
0.052 |
Slide |
-0.546 |
4.265 |
3.061 |
-0.054 |
-0.004 |
-0.082 |
Rise |
0.004 |
3.061 |
11.341 |
0.062 |
0.071 |
-0.221 |
Tilt |
-0.026 |
-0.054 |
0.062 |
0.044 |
0.005 |
0.006 |
Roll |
0.028 |
-0.004 |
0.071 |
0.005 |
0.027 |
0.012 |
Twist |
0.052 |
-0.082 |
-0.221 |
0.006 |
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 |
1.094 |
0.370 |
0.201 |
-0.038 |
0.025 |
0.077 |
Slide |
0.370 |
2.590 |
1.551 |
-0.004 |
-0.043 |
-0.105 |
Rise |
0.201 |
1.551 |
10.614 |
-0.271 |
-0.023 |
-0.211 |
Tilt |
-0.038 |
-0.004 |
-0.271 |
0.050 |
0.002 |
0.007 |
Roll |
0.025 |
-0.043 |
-0.023 |
0.002 |
0.020 |
0.008 |
Twist |
0.077 |
-0.105 |
-0.211 |
0.007 |
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 |
1.138 |
-0.372 |
-0.022 |
-0.131 |
0.009 |
0.004 |
Slide |
-0.372 |
3.307 |
0.868 |
-0.018 |
-0.001 |
-0.122 |
Rise |
-0.022 |
0.868 |
8.603 |
-0.012 |
-0.078 |
-0.253 |
Tilt |
-0.131 |
-0.018 |
-0.012 |
0.032 |
-0.001 |
0.001 |
Roll |
0.009 |
-0.001 |
-0.078 |
-0.001 |
0.018 |
0.006 |
Twist |
0.004 |
-0.122 |
-0.253 |
0.001 |
0.006 |
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 |
1.410 |
-0.638 |
-0.234 |
-0.035 |
-0.015 |
-0.089 |
Slide |
-0.638 |
3.077 |
1.789 |
0.011 |
-0.033 |
-0.100 |
Rise |
-0.234 |
1.789 |
10.880 |
0.308 |
-0.036 |
-0.246 |
Tilt |
-0.035 |
0.011 |
0.308 |
0.054 |
-0.004 |
-0.011 |
Roll |
-0.015 |
-0.033 |
-0.036 |
-0.004 |
0.021 |
0.008 |
Twist |
-0.089 |
-0.100 |
-0.246 |
-0.011 |
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 |
1.952 |
-0.281 |
-0.401 |
-0.083 |
-0.035 |
-0.086 |
Slide |
-0.281 |
2.554 |
1.448 |
-0.004 |
-0.048 |
-0.092 |
Rise |
-0.401 |
1.448 |
7.855 |
0.177 |
-0.073 |
-0.149 |
Tilt |
-0.083 |
-0.004 |
0.177 |
0.045 |
-0.003 |
-0.006 |
Roll |
-0.035 |
-0.048 |
-0.073 |
-0.003 |
0.024 |
0.007 |
Twist |
-0.086 |
-0.092 |
-0.149 |
-0.006 |
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 |
1.720 |
0.777 |
0.644 |
-0.093 |
0.028 |
-0.010 |
Slide |
0.777 |
3.489 |
1.469 |
0.031 |
-0.051 |
-0.161 |
Rise |
0.644 |
1.469 |
11.541 |
-0.310 |
-0.008 |
-0.165 |
Tilt |
-0.093 |
0.031 |
-0.310 |
0.048 |
-0.004 |
-0.001 |
Roll |
0.028 |
-0.051 |
-0.008 |
-0.004 |
0.025 |
0.010 |
Twist |
-0.010 |
-0.161 |
-0.165 |
-0.001 |
0.010 |
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 |
2.566 |
-0.288 |
-0.215 |
-0.129 |
-0.004 |
0.017 |
Slide |
-0.288 |
3.467 |
2.909 |
0.029 |
0.036 |
-0.106 |
Rise |
-0.215 |
2.909 |
11.951 |
0.013 |
0.126 |
-0.190 |
Tilt |
-0.129 |
0.029 |
0.013 |
0.044 |
0.000 |
-0.003 |
Roll |
-0.004 |
0.036 |
0.126 |
0.000 |
0.029 |
0.007 |
Twist |
0.017 |
-0.106 |
-0.190 |
-0.003 |
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 |
2.072 |
0.826 |
0.521 |
-0.150 |
0.041 |
0.031 |
Slide |
0.826 |
2.178 |
2.033 |
0.001 |
-0.002 |
-0.083 |
Rise |
0.521 |
2.034 |
11.605 |
-0.367 |
-0.004 |
-0.225 |
Tilt |
-0.150 |
0.001 |
-0.367 |
0.058 |
-0.005 |
0.002 |
Roll |
0.041 |
-0.002 |
-0.004 |
-0.005 |
0.025 |
0.007 |
Twist |
0.031 |
-0.083 |
-0.225 |
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 |
1.421 |
0.073 |
0.734 |
-0.140 |
0.036 |
0.049 |
Slide |
0.073 |
1.694 |
2.044 |
-0.034 |
0.010 |
-0.091 |
Rise |
0.734 |
2.044 |
9.775 |
-0.325 |
0.013 |
-0.187 |
Tilt |
-0.140 |
-0.034 |
-0.325 |
0.050 |
-0.005 |
0.001 |
Roll |
0.036 |
0.010 |
0.013 |
-0.005 |
0.021 |
0.004 |
Twist |
0.049 |
-0.091 |
-0.187 |
0.001 |
0.004 |
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 |
1.556 |
0.166 |
0.566 |
-0.134 |
0.033 |
0.015 |
Slide |
0.166 |
1.605 |
1.641 |
0.005 |
0.004 |
-0.076 |
Rise |
0.566 |
1.641 |
8.688 |
-0.237 |
-0.019 |
-0.173 |
Tilt |
-0.134 |
0.005 |
-0.237 |
0.048 |
-0.002 |
0.001 |
Roll |
0.033 |
0.004 |
-0.019 |
-0.002 |
0.022 |
0.004 |
Twist |
0.015 |
-0.076 |
-0.173 |
0.001 |
0.004 |
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 |
1.105 |
0.097 |
-0.472 |
-0.031 |
-0.005 |
-0.027 |
Slide |
0.097 |
3.821 |
2.854 |
0.060 |
0.024 |
-0.074 |
Rise |
-0.472 |
2.854 |
10.998 |
-0.008 |
0.112 |
-0.163 |
Tilt |
-0.031 |
0.060 |
-0.008 |
0.042 |
-0.006 |
-0.007 |
Roll |
-0.005 |
0.024 |
0.112 |
-0.006 |
0.025 |
0.009 |
Twist |
-0.027 |
-0.074 |
-0.163 |
-0.007 |
0.009 |
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 |
0.385 |
0.021 |
-0.050 |
-0.044 |
0.006 |
0.003 |
Slide |
0.021 |
3.032 |
0.214 |
-0.003 |
0.014 |
-0.161 |
Rise |
-0.050 |
0.213 |
9.119 |
0.002 |
-0.135 |
-0.228 |
Tilt |
-0.044 |
-0.003 |
0.002 |
0.027 |
-0.000 |
-0.000 |
Roll |
0.006 |
0.014 |
-0.135 |
-0.000 |
0.021 |
0.014 |
Twist |
0.003 |
-0.161 |
-0.228 |
-0.000 |
0.014 |
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 |
0.854 |
0.062 |
-0.435 |
-0.085 |
0.010 |
0.024 |
Slide |
0.062 |
2.400 |
1.154 |
0.014 |
0.007 |
-0.115 |
Rise |
-0.435 |
1.154 |
7.402 |
0.018 |
-0.078 |
-0.219 |
Tilt |
-0.085 |
0.014 |
0.018 |
0.029 |
0.001 |
-0.002 |
Roll |
0.010 |
0.007 |
-0.078 |
0.001 |
0.016 |
0.007 |
Twist |
0.024 |
-0.115 |
-0.219 |
-0.002 |
0.007 |
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 |
0.987 |
-0.134 |
-0.305 |
-0.066 |
0.002 |
-0.008 |
Slide |
-0.134 |
3.202 |
0.681 |
0.004 |
0.029 |
-0.128 |
Rise |
-0.305 |
0.681 |
8.422 |
-0.055 |
-0.111 |
-0.228 |
Tilt |
-0.066 |
0.004 |
-0.055 |
0.030 |
0.001 |
-0.005 |
Roll |
0.002 |
0.029 |
-0.111 |
0.001 |
0.018 |
0.009 |
Twist |
-0.008 |
-0.128 |
-0.228 |
-0.005 |
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 |
1.715 |
-0.818 |
-0.632 |
-0.051 |
0.000 |
-0.052 |
Slide |
-0.818 |
3.201 |
1.219 |
0.025 |
-0.069 |
-0.128 |
Rise |
-0.632 |
1.219 |
10.210 |
0.247 |
-0.005 |
-0.200 |
Tilt |
-0.051 |
0.025 |
0.247 |
0.048 |
0.001 |
-0.007 |
Roll |
0.000 |
-0.069 |
-0.005 |
0.001 |
0.023 |
0.009 |
Twist |
-0.052 |
-0.128 |
-0.200 |
-0.007 |
0.009 |
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)