| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.499 |
0.677 |
0.298 |
-0.054 |
0.030 |
0.061 |
Slide |
0.677 |
2.511 |
1.710 |
0.003 |
-0.028 |
-0.093 |
Rise |
0.298 |
1.710 |
8.599 |
-0.177 |
-0.046 |
-0.224 |
Tilt |
-0.054 |
0.003 |
-0.177 |
0.044 |
0.003 |
0.010 |
Roll |
0.030 |
-0.028 |
-0.046 |
0.003 |
0.020 |
0.007 |
Twist |
0.061 |
-0.093 |
-0.224 |
0.010 |
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 |
1.103 |
-0.061 |
-0.043 |
0.020 |
-0.004 |
-0.005 |
Slide |
-0.061 |
4.770 |
2.751 |
0.008 |
-0.026 |
-0.057 |
Rise |
-0.043 |
2.751 |
11.756 |
0.010 |
0.083 |
-0.128 |
Tilt |
0.020 |
0.008 |
0.010 |
0.043 |
-0.001 |
0.001 |
Roll |
-0.004 |
-0.026 |
0.083 |
-0.001 |
0.024 |
0.007 |
Twist |
-0.005 |
-0.057 |
-0.128 |
0.001 |
0.007 |
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 |
1.389 |
0.038 |
-0.565 |
-0.128 |
-0.047 |
-0.037 |
Slide |
0.038 |
1.509 |
1.825 |
0.003 |
-0.004 |
-0.077 |
Rise |
-0.565 |
1.825 |
8.335 |
0.228 |
-0.029 |
-0.217 |
Tilt |
-0.128 |
0.003 |
0.228 |
0.047 |
0.001 |
-0.002 |
Roll |
-0.047 |
-0.004 |
-0.029 |
0.001 |
0.021 |
0.007 |
Twist |
-0.037 |
-0.077 |
-0.217 |
-0.002 |
0.007 |
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 |
1.471 |
-0.096 |
-0.800 |
-0.146 |
-0.049 |
-0.052 |
Slide |
-0.096 |
1.515 |
1.766 |
0.004 |
0.007 |
-0.108 |
Rise |
-0.800 |
1.766 |
8.799 |
0.278 |
0.011 |
-0.174 |
Tilt |
-0.146 |
0.004 |
0.278 |
0.047 |
0.003 |
-0.001 |
Roll |
-0.049 |
0.007 |
0.011 |
0.003 |
0.021 |
0.006 |
Twist |
-0.052 |
-0.108 |
-0.174 |
-0.001 |
0.006 |
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 |
1.305 |
-0.108 |
-0.124 |
-0.043 |
-0.040 |
-0.048 |
Slide |
-0.108 |
1.955 |
1.717 |
0.005 |
-0.070 |
-0.095 |
Rise |
-0.124 |
1.717 |
8.575 |
0.202 |
-0.040 |
-0.225 |
Tilt |
-0.043 |
0.005 |
0.202 |
0.043 |
-0.001 |
-0.007 |
Roll |
-0.040 |
-0.069 |
-0.040 |
-0.001 |
0.023 |
0.008 |
Twist |
-0.048 |
-0.095 |
-0.225 |
-0.007 |
0.008 |
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 |
1.240 |
0.179 |
-0.283 |
-0.063 |
-0.061 |
-0.092 |
Slide |
0.179 |
2.061 |
1.810 |
0.016 |
-0.052 |
-0.119 |
Rise |
-0.283 |
1.810 |
8.067 |
0.220 |
-0.064 |
-0.224 |
Tilt |
-0.063 |
0.016 |
0.220 |
0.044 |
-0.004 |
-0.010 |
Roll |
-0.061 |
-0.052 |
-0.064 |
-0.004 |
0.022 |
0.010 |
Twist |
-0.092 |
-0.119 |
-0.224 |
-0.010 |
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 |
1.230 |
0.214 |
0.559 |
-0.062 |
0.024 |
0.036 |
Slide |
0.214 |
2.116 |
1.357 |
-0.081 |
-0.007 |
-0.048 |
Rise |
0.559 |
1.357 |
7.176 |
-0.212 |
0.050 |
-0.150 |
Tilt |
-0.062 |
-0.081 |
-0.212 |
0.030 |
-0.006 |
-0.002 |
Roll |
0.024 |
-0.007 |
0.050 |
-0.006 |
0.020 |
0.002 |
Twist |
0.036 |
-0.048 |
-0.150 |
-0.002 |
0.002 |
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 |
0.501 |
-0.119 |
0.165 |
-0.055 |
0.003 |
0.014 |
Slide |
-0.119 |
2.192 |
0.846 |
-0.005 |
0.009 |
-0.134 |
Rise |
0.165 |
0.846 |
7.766 |
-0.027 |
-0.079 |
-0.214 |
Tilt |
-0.055 |
-0.005 |
-0.027 |
0.026 |
0.000 |
-0.000 |
Roll |
0.003 |
0.009 |
-0.079 |
0.000 |
0.016 |
0.012 |
Twist |
0.014 |
-0.134 |
-0.214 |
-0.000 |
0.012 |
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 |
0.499 |
0.186 |
-0.164 |
-0.049 |
-0.007 |
-0.005 |
Slide |
0.186 |
2.078 |
1.215 |
0.004 |
0.011 |
-0.122 |
Rise |
-0.164 |
1.215 |
7.555 |
0.020 |
-0.091 |
-0.210 |
Tilt |
-0.049 |
0.004 |
0.020 |
0.024 |
0.001 |
0.001 |
Roll |
-0.007 |
0.011 |
-0.091 |
0.001 |
0.015 |
0.010 |
Twist |
-0.005 |
-0.122 |
-0.210 |
0.001 |
0.010 |
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 |
1.234 |
-0.517 |
-0.877 |
-0.097 |
-0.033 |
0.014 |
Slide |
-0.517 |
2.089 |
1.267 |
0.017 |
-0.013 |
-0.102 |
Rise |
-0.877 |
1.268 |
9.957 |
0.275 |
0.005 |
-0.179 |
Tilt |
-0.097 |
0.017 |
0.275 |
0.043 |
0.005 |
-0.003 |
Roll |
-0.033 |
-0.013 |
0.005 |
0.005 |
0.019 |
0.006 |
Twist |
0.014 |
-0.102 |
-0.179 |
-0.003 |
0.006 |
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 |
1.393 |
-0.769 |
-0.514 |
-0.042 |
0.003 |
-0.045 |
Slide |
-0.769 |
2.697 |
0.836 |
0.016 |
-0.074 |
-0.106 |
Rise |
-0.514 |
0.836 |
9.605 |
0.234 |
-0.062 |
-0.201 |
Tilt |
-0.042 |
0.016 |
0.234 |
0.044 |
-0.001 |
-0.009 |
Roll |
0.003 |
-0.074 |
-0.062 |
-0.001 |
0.023 |
0.011 |
Twist |
-0.045 |
-0.106 |
-0.201 |
-0.009 |
0.011 |
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)