| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.121 |
1.106 |
0.552 |
-0.025 |
-0.012 |
0.071 |
Slide |
1.106 |
3.911 |
1.155 |
0.007 |
-0.058 |
-0.219 |
Rise |
0.552 |
1.155 |
11.489 |
-0.342 |
-0.020 |
-0.211 |
Tilt |
-0.025 |
0.007 |
-0.342 |
0.056 |
0.001 |
0.008 |
Roll |
-0.012 |
-0.058 |
-0.020 |
0.001 |
0.023 |
0.011 |
Twist |
0.071 |
-0.219 |
-0.211 |
0.008 |
0.011 |
0.055 |
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 |
1.381 |
0.624 |
0.530 |
-0.043 |
0.007 |
0.074 |
Slide |
0.624 |
3.341 |
0.869 |
-0.013 |
-0.065 |
-0.160 |
Rise |
0.530 |
0.869 |
12.111 |
-0.362 |
-0.031 |
-0.223 |
Tilt |
-0.043 |
-0.013 |
-0.362 |
0.056 |
-0.001 |
0.010 |
Roll |
0.007 |
-0.065 |
-0.031 |
-0.001 |
0.025 |
0.012 |
Twist |
0.074 |
-0.160 |
-0.223 |
0.010 |
0.012 |
0.047 |
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 |
2.176 |
0.571 |
0.305 |
-0.069 |
0.006 |
0.035 |
Slide |
0.571 |
5.006 |
3.449 |
-0.042 |
0.002 |
-0.229 |
Rise |
0.305 |
3.449 |
10.839 |
0.042 |
0.057 |
-0.210 |
Tilt |
-0.069 |
-0.042 |
0.042 |
0.049 |
0.006 |
0.007 |
Roll |
0.006 |
0.002 |
0.057 |
0.006 |
0.031 |
0.009 |
Twist |
0.035 |
-0.229 |
-0.210 |
0.007 |
0.009 |
0.061 |
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 |
1.275 |
-0.132 |
0.527 |
-0.041 |
-0.002 |
-0.034 |
Slide |
-0.132 |
4.740 |
2.991 |
-0.009 |
0.061 |
-0.055 |
Rise |
0.527 |
2.991 |
12.312 |
0.077 |
0.138 |
-0.194 |
Tilt |
-0.041 |
-0.009 |
0.077 |
0.046 |
0.006 |
0.004 |
Roll |
-0.002 |
0.061 |
0.138 |
0.006 |
0.029 |
0.011 |
Twist |
-0.034 |
-0.055 |
-0.194 |
0.004 |
0.011 |
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 |
2.270 |
0.339 |
0.192 |
-0.102 |
0.001 |
0.030 |
Slide |
0.339 |
5.308 |
3.251 |
-0.030 |
-0.011 |
-0.206 |
Rise |
0.192 |
3.251 |
10.261 |
0.004 |
0.039 |
-0.228 |
Tilt |
-0.102 |
-0.030 |
0.004 |
0.046 |
0.009 |
0.003 |
Roll |
0.001 |
-0.011 |
0.039 |
0.009 |
0.031 |
0.011 |
Twist |
0.030 |
-0.206 |
-0.228 |
0.003 |
0.011 |
0.060 |
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 |
2.093 |
0.596 |
0.718 |
-0.101 |
0.018 |
0.079 |
Slide |
0.596 |
4.188 |
1.411 |
0.016 |
-0.028 |
-0.228 |
Rise |
0.718 |
1.411 |
8.370 |
-0.248 |
-0.059 |
-0.161 |
Tilt |
-0.101 |
0.016 |
-0.248 |
0.052 |
0.004 |
0.007 |
Roll |
0.018 |
-0.028 |
-0.059 |
0.004 |
0.026 |
0.005 |
Twist |
0.079 |
-0.228 |
-0.161 |
0.007 |
0.005 |
0.056 |
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 |
0.452 |
0.054 |
-0.078 |
-0.015 |
-0.039 |
Slide |
0.452 |
2.966 |
0.554 |
0.017 |
0.038 |
-0.112 |
Rise |
0.054 |
0.554 |
9.037 |
0.091 |
-0.100 |
-0.219 |
Tilt |
-0.078 |
0.017 |
0.091 |
0.033 |
0.000 |
0.004 |
Roll |
-0.015 |
0.038 |
-0.100 |
0.000 |
0.021 |
0.008 |
Twist |
-0.039 |
-0.112 |
-0.219 |
0.004 |
0.008 |
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 |
1.165 |
-0.210 |
0.617 |
-0.052 |
-0.004 |
0.028 |
Slide |
-0.210 |
3.266 |
0.505 |
0.024 |
0.009 |
-0.131 |
Rise |
0.617 |
0.505 |
9.591 |
0.005 |
-0.187 |
-0.283 |
Tilt |
-0.052 |
0.024 |
0.005 |
0.030 |
-0.002 |
0.003 |
Roll |
-0.004 |
0.009 |
-0.187 |
-0.002 |
0.023 |
0.014 |
Twist |
0.029 |
-0.131 |
-0.283 |
0.003 |
0.014 |
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 |
2.550 |
-1.239 |
-0.153 |
-0.108 |
-0.029 |
0.023 |
Slide |
-1.239 |
2.531 |
1.649 |
-0.034 |
-0.014 |
-0.130 |
Rise |
-0.153 |
1.649 |
11.072 |
0.362 |
-0.026 |
-0.147 |
Tilt |
-0.108 |
-0.034 |
0.362 |
0.064 |
0.004 |
0.001 |
Roll |
-0.029 |
-0.014 |
-0.026 |
0.004 |
0.026 |
0.008 |
Twist |
0.023 |
-0.130 |
-0.147 |
0.001 |
0.008 |
0.051 |
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 |
1.818 |
0.264 |
0.136 |
-0.160 |
-0.007 |
-0.065 |
Slide |
0.264 |
3.309 |
1.469 |
-0.011 |
0.017 |
-0.119 |
Rise |
0.136 |
1.469 |
8.072 |
-0.007 |
-0.072 |
-0.201 |
Tilt |
-0.160 |
-0.011 |
-0.007 |
0.038 |
0.000 |
0.004 |
Roll |
-0.007 |
0.017 |
-0.072 |
0.000 |
0.017 |
0.003 |
Twist |
-0.065 |
-0.119 |
-0.201 |
0.004 |
0.003 |
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 |
1.774 |
-0.680 |
-0.338 |
-0.037 |
-0.016 |
-0.086 |
Slide |
-0.680 |
3.258 |
1.538 |
-0.045 |
-0.005 |
-0.085 |
Rise |
-0.338 |
1.538 |
10.100 |
0.225 |
-0.005 |
-0.181 |
Tilt |
-0.037 |
-0.045 |
0.225 |
0.052 |
-0.002 |
-0.003 |
Roll |
-0.016 |
-0.005 |
-0.005 |
-0.002 |
0.019 |
0.005 |
Twist |
-0.086 |
-0.085 |
-0.181 |
-0.003 |
0.005 |
0.052 |
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 |
2.102 |
0.264 |
0.531 |
-0.054 |
0.003 |
-0.077 |
Slide |
0.264 |
5.356 |
3.043 |
0.071 |
0.033 |
-0.238 |
Rise |
0.531 |
3.043 |
11.770 |
-0.012 |
0.122 |
-0.217 |
Tilt |
-0.054 |
0.071 |
-0.012 |
0.053 |
-0.006 |
-0.007 |
Roll |
0.003 |
0.033 |
0.122 |
-0.006 |
0.032 |
0.007 |
Twist |
-0.077 |
-0.238 |
-0.217 |
-0.007 |
0.007 |
0.066 |
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 |
0.530 |
-0.004 |
-0.109 |
-0.045 |
-0.008 |
-0.000 |
Slide |
-0.004 |
3.480 |
0.578 |
-0.001 |
0.018 |
-0.197 |
Rise |
-0.109 |
0.579 |
9.356 |
0.030 |
-0.136 |
-0.240 |
Tilt |
-0.045 |
-0.001 |
0.030 |
0.026 |
-0.001 |
0.002 |
Roll |
-0.008 |
0.018 |
-0.136 |
-0.001 |
0.021 |
0.016 |
Twist |
-0.000 |
-0.197 |
-0.240 |
0.002 |
0.016 |
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 |
2.051 |
-0.716 |
-0.740 |
-0.094 |
-0.025 |
0.039 |
Slide |
-0.716 |
3.437 |
0.758 |
-0.043 |
-0.039 |
-0.133 |
Rise |
-0.740 |
0.758 |
12.104 |
0.386 |
0.020 |
-0.137 |
Tilt |
-0.094 |
-0.043 |
0.386 |
0.053 |
0.006 |
0.003 |
Roll |
-0.025 |
-0.039 |
0.020 |
0.006 |
0.027 |
0.011 |
Twist |
0.039 |
-0.133 |
-0.137 |
0.003 |
0.011 |
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)