| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.024 |
0.114 |
0.274 |
-0.053 |
0.054 |
0.039 |
Slide |
0.114 |
2.251 |
1.810 |
-0.039 |
-0.041 |
-0.092 |
Rise |
0.274 |
1.810 |
9.792 |
-0.248 |
-0.041 |
-0.257 |
Tilt |
-0.053 |
-0.039 |
-0.248 |
0.045 |
0.003 |
0.010 |
Roll |
0.054 |
-0.041 |
-0.041 |
0.003 |
0.022 |
0.008 |
Twist |
0.039 |
-0.092 |
-0.257 |
0.010 |
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 |
1.424 |
-0.313 |
-0.765 |
-0.153 |
-0.046 |
-0.034 |
Slide |
-0.313 |
2.245 |
1.384 |
-0.019 |
-0.011 |
-0.082 |
Rise |
-0.765 |
1.384 |
12.175 |
0.400 |
-0.005 |
-0.214 |
Tilt |
-0.153 |
-0.019 |
0.400 |
0.058 |
0.003 |
-0.002 |
Roll |
-0.046 |
-0.011 |
-0.005 |
0.003 |
0.023 |
0.008 |
Twist |
-0.034 |
-0.082 |
-0.214 |
-0.002 |
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 |
0.961 |
-0.038 |
-0.095 |
-0.099 |
0.004 |
0.006 |
Slide |
-0.038 |
3.487 |
-0.001 |
0.001 |
0.004 |
-0.151 |
Rise |
-0.095 |
-0.001 |
9.753 |
0.006 |
-0.121 |
-0.290 |
Tilt |
-0.099 |
0.001 |
0.006 |
0.030 |
0.000 |
0.000 |
Roll |
0.004 |
0.004 |
-0.121 |
0.000 |
0.021 |
0.009 |
Twist |
0.006 |
-0.151 |
-0.290 |
0.000 |
0.009 |
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 |
0.954 |
-0.061 |
0.038 |
-0.126 |
-0.000 |
0.007 |
Slide |
-0.061 |
3.048 |
0.476 |
-0.017 |
0.022 |
-0.124 |
Rise |
0.038 |
0.477 |
8.441 |
-0.010 |
-0.068 |
-0.218 |
Tilt |
-0.126 |
-0.017 |
-0.010 |
0.033 |
-0.002 |
-0.001 |
Roll |
-0.000 |
0.022 |
-0.068 |
-0.002 |
0.018 |
0.006 |
Twist |
0.007 |
-0.124 |
-0.218 |
-0.001 |
0.006 |
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 |
0.994 |
0.464 |
0.736 |
-0.115 |
0.033 |
0.005 |
Slide |
0.464 |
2.696 |
1.345 |
-0.012 |
-0.009 |
-0.115 |
Rise |
0.736 |
1.345 |
10.655 |
-0.305 |
-0.004 |
-0.155 |
Tilt |
-0.115 |
-0.012 |
-0.305 |
0.045 |
-0.004 |
0.000 |
Roll |
0.033 |
-0.009 |
-0.004 |
-0.004 |
0.021 |
0.010 |
Twist |
0.005 |
-0.115 |
-0.155 |
0.000 |
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 |
1.918 |
0.270 |
0.236 |
-0.138 |
-0.002 |
-0.019 |
Slide |
0.270 |
3.288 |
3.383 |
0.015 |
0.040 |
-0.058 |
Rise |
0.236 |
3.383 |
11.755 |
0.002 |
0.116 |
-0.235 |
Tilt |
-0.138 |
0.015 |
0.002 |
0.044 |
0.001 |
-0.001 |
Roll |
-0.002 |
0.040 |
0.116 |
0.001 |
0.029 |
0.006 |
Twist |
-0.019 |
-0.058 |
-0.235 |
-0.001 |
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 |
1.357 |
0.312 |
0.747 |
-0.148 |
0.038 |
0.029 |
Slide |
0.312 |
2.051 |
1.693 |
0.002 |
-0.002 |
-0.112 |
Rise |
0.747 |
1.693 |
12.019 |
-0.417 |
-0.002 |
-0.205 |
Tilt |
-0.148 |
0.002 |
-0.417 |
0.058 |
-0.003 |
0.001 |
Roll |
0.038 |
-0.002 |
-0.002 |
-0.003 |
0.023 |
0.007 |
Twist |
0.029 |
-0.112 |
-0.206 |
0.001 |
0.007 |
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 |
1.613 |
0.149 |
0.604 |
-0.141 |
0.051 |
0.034 |
Slide |
0.149 |
1.879 |
1.978 |
-0.011 |
0.010 |
-0.105 |
Rise |
0.604 |
1.978 |
9.107 |
-0.251 |
0.002 |
-0.166 |
Tilt |
-0.141 |
-0.011 |
-0.251 |
0.048 |
-0.003 |
-0.001 |
Roll |
0.051 |
0.010 |
0.002 |
-0.003 |
0.022 |
0.006 |
Twist |
0.034 |
-0.105 |
-0.166 |
-0.001 |
0.006 |
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 |
1.317 |
0.298 |
0.563 |
-0.135 |
0.026 |
0.017 |
Slide |
0.297 |
2.466 |
1.520 |
0.007 |
-0.006 |
-0.109 |
Rise |
0.563 |
1.520 |
11.390 |
-0.341 |
-0.003 |
-0.229 |
Tilt |
-0.135 |
0.007 |
-0.341 |
0.055 |
-0.004 |
0.004 |
Roll |
0.026 |
-0.006 |
-0.003 |
-0.004 |
0.020 |
0.005 |
Twist |
0.017 |
-0.109 |
-0.229 |
0.004 |
0.005 |
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 |
1.683 |
0.218 |
0.603 |
-0.149 |
0.040 |
0.030 |
Slide |
0.218 |
1.771 |
2.117 |
-0.027 |
0.002 |
-0.078 |
Rise |
0.603 |
2.117 |
9.137 |
-0.269 |
-0.018 |
-0.176 |
Tilt |
-0.149 |
-0.027 |
-0.269 |
0.051 |
-0.003 |
0.001 |
Roll |
0.040 |
0.002 |
-0.018 |
-0.003 |
0.022 |
0.007 |
Twist |
0.030 |
-0.078 |
-0.176 |
0.001 |
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 |
1.185 |
0.124 |
0.792 |
-0.169 |
0.068 |
0.043 |
Slide |
0.124 |
2.132 |
1.815 |
-0.014 |
0.010 |
-0.108 |
Rise |
0.792 |
1.815 |
11.145 |
-0.383 |
-0.000 |
-0.214 |
Tilt |
-0.169 |
-0.014 |
-0.383 |
0.056 |
-0.002 |
0.002 |
Roll |
0.068 |
0.010 |
-0.000 |
-0.002 |
0.021 |
0.009 |
Twist |
0.043 |
-0.108 |
-0.214 |
0.002 |
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 |
1.260 |
-0.046 |
0.982 |
-0.175 |
0.043 |
0.047 |
Slide |
-0.046 |
1.645 |
1.613 |
-0.015 |
0.002 |
-0.088 |
Rise |
0.982 |
1.613 |
10.353 |
-0.340 |
0.012 |
-0.215 |
Tilt |
-0.175 |
-0.015 |
-0.340 |
0.056 |
-0.005 |
0.002 |
Roll |
0.043 |
0.002 |
0.012 |
-0.005 |
0.020 |
0.005 |
Twist |
0.047 |
-0.088 |
-0.215 |
0.002 |
0.005 |
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 |
1.504 |
0.302 |
0.815 |
-0.162 |
0.037 |
0.031 |
Slide |
0.302 |
1.676 |
1.856 |
-0.001 |
0.013 |
-0.078 |
Rise |
0.815 |
1.856 |
9.714 |
-0.296 |
-0.002 |
-0.211 |
Tilt |
-0.162 |
-0.001 |
-0.296 |
0.055 |
-0.003 |
0.001 |
Roll |
0.037 |
0.013 |
-0.002 |
-0.003 |
0.023 |
0.007 |
Twist |
0.031 |
-0.078 |
-0.210 |
0.001 |
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 |
1.416 |
-0.160 |
-0.466 |
-0.045 |
0.004 |
-0.082 |
Slide |
-0.160 |
3.964 |
3.064 |
-0.002 |
0.024 |
-0.090 |
Rise |
-0.466 |
3.064 |
11.734 |
-0.018 |
0.128 |
-0.166 |
Tilt |
-0.045 |
-0.002 |
-0.018 |
0.048 |
-0.006 |
-0.004 |
Roll |
0.004 |
0.024 |
0.128 |
-0.006 |
0.028 |
0.008 |
Twist |
-0.082 |
-0.090 |
-0.166 |
-0.004 |
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 |
0.786 |
-0.037 |
-0.168 |
-0.069 |
0.002 |
0.003 |
Slide |
-0.037 |
3.187 |
0.286 |
-0.007 |
0.025 |
-0.138 |
Rise |
-0.168 |
0.286 |
9.365 |
-0.036 |
-0.119 |
-0.240 |
Tilt |
-0.069 |
-0.007 |
-0.036 |
0.029 |
0.002 |
-0.001 |
Roll |
0.002 |
0.025 |
-0.119 |
0.002 |
0.021 |
0.009 |
Twist |
0.003 |
-0.138 |
-0.240 |
-0.001 |
0.009 |
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)