| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.444 |
0.478 |
0.513 |
-0.055 |
0.007 |
0.037 |
Slide |
0.478 |
2.735 |
1.068 |
-0.039 |
-0.076 |
-0.110 |
Rise |
0.513 |
1.068 |
10.118 |
-0.248 |
-0.038 |
-0.246 |
Tilt |
-0.055 |
-0.039 |
-0.248 |
0.045 |
0.000 |
0.010 |
Roll |
0.007 |
-0.076 |
-0.038 |
0.000 |
0.024 |
0.011 |
Twist |
0.037 |
-0.110 |
-0.246 |
0.010 |
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 |
2.010 |
1.181 |
0.576 |
-0.058 |
0.007 |
0.009 |
Slide |
1.181 |
3.806 |
1.120 |
-0.011 |
-0.034 |
-0.157 |
Rise |
0.576 |
1.120 |
11.125 |
-0.298 |
-0.013 |
-0.235 |
Tilt |
-0.058 |
-0.011 |
-0.298 |
0.054 |
0.001 |
0.009 |
Roll |
0.007 |
-0.034 |
-0.013 |
0.001 |
0.022 |
0.009 |
Twist |
0.009 |
-0.157 |
-0.235 |
0.009 |
0.009 |
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 |
2.019 |
-0.202 |
0.392 |
-0.074 |
-0.009 |
0.064 |
Slide |
-0.202 |
4.092 |
3.093 |
-0.053 |
0.008 |
-0.122 |
Rise |
0.392 |
3.093 |
11.201 |
0.035 |
0.088 |
-0.225 |
Tilt |
-0.074 |
-0.053 |
0.035 |
0.047 |
0.006 |
0.007 |
Roll |
-0.009 |
0.008 |
0.088 |
0.006 |
0.029 |
0.012 |
Twist |
0.064 |
-0.122 |
-0.225 |
0.007 |
0.012 |
0.045 |
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 |
2.020 |
0.553 |
0.614 |
-0.089 |
0.047 |
0.073 |
Slide |
0.553 |
2.892 |
1.620 |
0.010 |
-0.036 |
-0.142 |
Rise |
0.614 |
1.620 |
8.053 |
-0.180 |
-0.047 |
-0.178 |
Tilt |
-0.089 |
0.010 |
-0.180 |
0.046 |
0.003 |
0.009 |
Roll |
0.047 |
-0.036 |
-0.047 |
0.003 |
0.024 |
0.005 |
Twist |
0.073 |
-0.142 |
-0.178 |
0.009 |
0.005 |
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 |
1.176 |
0.032 |
-0.116 |
0.011 |
0.001 |
0.001 |
Slide |
0.032 |
4.609 |
2.751 |
0.004 |
-0.047 |
-0.064 |
Rise |
-0.116 |
2.751 |
11.361 |
0.026 |
0.071 |
-0.126 |
Tilt |
0.011 |
0.004 |
0.026 |
0.044 |
-0.000 |
0.001 |
Roll |
0.001 |
-0.047 |
0.071 |
-0.000 |
0.027 |
0.013 |
Twist |
0.001 |
-0.064 |
-0.126 |
0.001 |
0.013 |
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 |
0.912 |
-0.310 |
0.373 |
-0.066 |
-0.004 |
-0.024 |
Slide |
-0.310 |
2.924 |
0.642 |
0.002 |
0.015 |
-0.127 |
Rise |
0.373 |
0.642 |
7.828 |
0.002 |
-0.089 |
-0.216 |
Tilt |
-0.066 |
0.002 |
0.002 |
0.031 |
-0.001 |
0.000 |
Roll |
-0.004 |
0.015 |
-0.089 |
-0.001 |
0.019 |
0.010 |
Twist |
-0.024 |
-0.127 |
-0.216 |
0.000 |
0.010 |
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 |
1.308 |
-0.160 |
0.021 |
-0.145 |
0.014 |
0.019 |
Slide |
-0.160 |
3.133 |
1.250 |
0.000 |
0.028 |
-0.123 |
Rise |
0.021 |
1.250 |
7.500 |
-0.001 |
-0.060 |
-0.162 |
Tilt |
-0.145 |
0.000 |
-0.001 |
0.035 |
0.001 |
0.001 |
Roll |
0.014 |
0.028 |
-0.060 |
0.001 |
0.015 |
0.001 |
Twist |
0.019 |
-0.123 |
-0.162 |
0.001 |
0.001 |
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 |
1.611 |
-0.798 |
-0.548 |
-0.054 |
-0.019 |
-0.076 |
Slide |
-0.798 |
2.557 |
1.769 |
0.004 |
-0.024 |
-0.074 |
Rise |
-0.548 |
1.769 |
9.681 |
0.200 |
-0.048 |
-0.223 |
Tilt |
-0.054 |
0.004 |
0.200 |
0.047 |
-0.003 |
-0.010 |
Roll |
-0.019 |
-0.024 |
-0.048 |
-0.003 |
0.020 |
0.006 |
Twist |
-0.076 |
-0.074 |
-0.223 |
-0.010 |
0.006 |
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 |
1.018 |
0.207 |
0.708 |
-0.111 |
0.030 |
0.007 |
Slide |
0.207 |
2.258 |
1.519 |
-0.005 |
-0.022 |
-0.120 |
Rise |
0.708 |
1.519 |
10.454 |
-0.320 |
-0.004 |
-0.196 |
Tilt |
-0.111 |
-0.005 |
-0.320 |
0.044 |
-0.005 |
0.002 |
Roll |
0.030 |
-0.022 |
-0.004 |
-0.005 |
0.020 |
0.008 |
Twist |
0.007 |
-0.120 |
-0.196 |
0.002 |
0.008 |
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 |
1.617 |
0.607 |
-0.056 |
-0.129 |
0.011 |
-0.003 |
Slide |
0.607 |
3.127 |
2.618 |
0.026 |
0.084 |
-0.049 |
Rise |
-0.056 |
2.618 |
11.031 |
-0.003 |
0.124 |
-0.197 |
Tilt |
-0.129 |
0.026 |
-0.003 |
0.044 |
-0.001 |
-0.001 |
Roll |
0.011 |
0.084 |
0.124 |
-0.001 |
0.025 |
0.005 |
Twist |
-0.003 |
-0.049 |
-0.197 |
-0.001 |
0.005 |
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 |
1.118 |
0.105 |
0.487 |
-0.134 |
0.062 |
0.052 |
Slide |
0.105 |
1.984 |
1.617 |
-0.025 |
-0.004 |
-0.115 |
Rise |
0.487 |
1.617 |
10.640 |
-0.341 |
-0.008 |
-0.217 |
Tilt |
-0.134 |
-0.025 |
-0.341 |
0.050 |
-0.003 |
0.003 |
Roll |
0.062 |
-0.004 |
-0.008 |
-0.003 |
0.021 |
0.009 |
Twist |
0.052 |
-0.115 |
-0.217 |
0.003 |
0.009 |
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 |
1.187 |
0.269 |
-0.346 |
-0.051 |
-0.033 |
-0.006 |
Slide |
0.269 |
4.420 |
2.912 |
0.043 |
0.037 |
-0.093 |
Rise |
-0.346 |
2.912 |
11.644 |
-0.009 |
0.139 |
-0.202 |
Tilt |
-0.051 |
0.043 |
-0.009 |
0.044 |
-0.007 |
-0.005 |
Roll |
-0.033 |
0.037 |
0.139 |
-0.007 |
0.028 |
0.014 |
Twist |
-0.006 |
-0.093 |
-0.202 |
-0.005 |
0.014 |
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 |
0.494 |
0.145 |
-0.371 |
-0.060 |
0.007 |
-0.005 |
Slide |
0.145 |
2.592 |
0.897 |
0.019 |
0.018 |
-0.149 |
Rise |
-0.371 |
0.897 |
7.900 |
0.040 |
-0.088 |
-0.219 |
Tilt |
-0.060 |
0.019 |
0.040 |
0.028 |
0.001 |
0.000 |
Roll |
0.007 |
0.018 |
-0.088 |
0.001 |
0.016 |
0.011 |
Twist |
-0.005 |
-0.149 |
-0.219 |
0.000 |
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 |
0.762 |
-0.135 |
-0.157 |
-0.082 |
0.008 |
0.055 |
Slide |
-0.135 |
2.569 |
0.516 |
-0.001 |
0.013 |
-0.134 |
Rise |
-0.157 |
0.516 |
7.887 |
-0.034 |
-0.070 |
-0.198 |
Tilt |
-0.082 |
-0.001 |
-0.034 |
0.030 |
0.000 |
-0.002 |
Roll |
0.008 |
0.013 |
-0.070 |
0.000 |
0.016 |
0.008 |
Twist |
0.055 |
-0.134 |
-0.198 |
-0.002 |
0.008 |
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 |
0.979 |
-0.330 |
-0.207 |
-0.098 |
0.009 |
0.046 |
Slide |
-0.330 |
3.267 |
0.376 |
0.004 |
0.043 |
-0.144 |
Rise |
-0.207 |
0.376 |
8.403 |
-0.051 |
-0.073 |
-0.192 |
Tilt |
-0.098 |
0.004 |
-0.051 |
0.033 |
0.001 |
-0.004 |
Roll |
0.009 |
0.043 |
-0.073 |
0.001 |
0.016 |
0.008 |
Twist |
0.046 |
-0.144 |
-0.192 |
-0.004 |
0.008 |
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)