| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.557 |
-0.060 |
0.232 |
0.004 |
0.017 |
0.040 |
Slide |
-0.060 |
4.195 |
0.853 |
0.048 |
-0.008 |
-0.190 |
Rise |
0.232 |
0.853 |
10.153 |
-0.293 |
-0.201 |
-0.198 |
Tilt |
0.004 |
0.048 |
-0.293 |
0.036 |
0.001 |
0.001 |
Roll |
0.017 |
-0.008 |
-0.201 |
0.001 |
0.021 |
0.008 |
Twist |
0.040 |
-0.190 |
-0.198 |
0.001 |
0.008 |
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 |
1.168 |
0.108 |
-0.164 |
0.002 |
-0.008 |
-0.002 |
Slide |
0.108 |
2.690 |
2.477 |
-0.018 |
-0.069 |
-0.165 |
Rise |
-0.164 |
2.477 |
12.106 |
0.008 |
-0.173 |
-0.221 |
Tilt |
0.002 |
-0.018 |
0.008 |
0.030 |
0.003 |
0.002 |
Roll |
-0.008 |
-0.069 |
-0.173 |
0.003 |
0.023 |
0.005 |
Twist |
-0.002 |
-0.165 |
-0.221 |
0.002 |
0.005 |
0.049 |
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 |
1.691 |
-0.329 |
0.511 |
-0.036 |
0.017 |
0.028 |
Slide |
-0.329 |
3.992 |
0.817 |
0.014 |
-0.001 |
-0.170 |
Rise |
0.511 |
0.817 |
9.674 |
-0.333 |
-0.201 |
-0.186 |
Tilt |
-0.036 |
0.014 |
-0.333 |
0.044 |
-0.002 |
-0.000 |
Roll |
0.017 |
-0.001 |
-0.201 |
-0.002 |
0.022 |
0.007 |
Twist |
0.028 |
-0.170 |
-0.186 |
-0.000 |
0.007 |
0.063 |
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 |
1.479 |
-0.215 |
0.083 |
-0.038 |
0.001 |
0.051 |
Slide |
-0.215 |
4.311 |
0.989 |
0.028 |
-0.021 |
-0.215 |
Rise |
0.083 |
0.989 |
9.240 |
-0.234 |
-0.195 |
-0.226 |
Tilt |
-0.038 |
0.028 |
-0.234 |
0.035 |
0.003 |
0.000 |
Roll |
0.001 |
-0.021 |
-0.195 |
0.003 |
0.023 |
0.003 |
Twist |
0.051 |
-0.215 |
-0.226 |
0.000 |
0.003 |
0.063 |
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 |
1.159 |
-0.011 |
-0.085 |
-0.058 |
0.004 |
0.009 |
Slide |
-0.011 |
3.499 |
1.814 |
-0.002 |
-0.066 |
-0.151 |
Rise |
-0.085 |
1.814 |
3.993 |
0.014 |
-0.083 |
-0.111 |
Tilt |
-0.058 |
-0.002 |
0.014 |
0.030 |
0.001 |
0.000 |
Roll |
0.004 |
-0.066 |
-0.083 |
0.001 |
0.015 |
-0.002 |
Twist |
0.009 |
-0.151 |
-0.111 |
0.000 |
-0.002 |
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 |
2.260 |
0.058 |
0.121 |
-0.049 |
0.013 |
0.002 |
Slide |
0.058 |
3.670 |
2.869 |
0.008 |
-0.046 |
-0.222 |
Rise |
0.121 |
2.869 |
13.848 |
-0.007 |
-0.114 |
-0.252 |
Tilt |
-0.049 |
0.008 |
-0.007 |
0.040 |
0.001 |
-0.000 |
Roll |
0.013 |
-0.046 |
-0.114 |
0.001 |
0.030 |
0.005 |
Twist |
0.002 |
-0.222 |
-0.252 |
-0.000 |
0.005 |
0.059 |
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 |
2.398 |
0.024 |
0.083 |
-0.054 |
-0.009 |
0.007 |
Slide |
0.024 |
3.669 |
2.963 |
0.022 |
-0.050 |
-0.230 |
Rise |
0.083 |
2.963 |
14.361 |
0.034 |
-0.095 |
-0.275 |
Tilt |
-0.054 |
0.022 |
0.034 |
0.041 |
0.001 |
-0.000 |
Roll |
-0.009 |
-0.050 |
-0.095 |
0.001 |
0.029 |
0.006 |
Twist |
0.007 |
-0.230 |
-0.275 |
-0.000 |
0.006 |
0.063 |
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 |
0.977 |
-0.075 |
-0.021 |
-0.002 |
-0.002 |
0.003 |
Slide |
-0.075 |
3.416 |
2.897 |
0.008 |
-0.078 |
-0.187 |
Rise |
-0.021 |
2.897 |
11.358 |
-0.013 |
-0.184 |
-0.181 |
Tilt |
-0.002 |
0.008 |
-0.013 |
0.029 |
-0.000 |
-0.000 |
Roll |
-0.002 |
-0.078 |
-0.184 |
-0.000 |
0.023 |
0.005 |
Twist |
0.003 |
-0.187 |
-0.181 |
-0.000 |
0.005 |
0.059 |
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 |
1.168 |
0.108 |
-0.164 |
0.002 |
-0.008 |
-0.002 |
Slide |
0.108 |
2.690 |
2.477 |
-0.018 |
-0.069 |
-0.165 |
Rise |
-0.164 |
2.477 |
12.106 |
0.008 |
-0.173 |
-0.221 |
Tilt |
0.002 |
-0.018 |
0.008 |
0.030 |
0.003 |
0.002 |
Roll |
-0.008 |
-0.069 |
-0.173 |
0.003 |
0.023 |
0.005 |
Twist |
-0.002 |
-0.165 |
-0.221 |
0.002 |
0.005 |
0.049 |
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 |
1.520 |
0.332 |
-0.057 |
-0.007 |
0.011 |
0.007 |
Slide |
0.332 |
4.546 |
0.970 |
-0.009 |
-0.068 |
-0.133 |
Rise |
-0.057 |
0.970 |
5.094 |
-0.049 |
-0.132 |
-0.121 |
Tilt |
-0.007 |
-0.009 |
-0.049 |
0.031 |
-0.001 |
0.000 |
Roll |
0.011 |
-0.068 |
-0.132 |
-0.001 |
0.020 |
0.002 |
Twist |
0.007 |
-0.133 |
-0.121 |
0.000 |
0.002 |
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 |
1.557 |
-0.060 |
0.232 |
0.004 |
0.017 |
0.040 |
Slide |
-0.060 |
4.195 |
0.853 |
0.048 |
-0.008 |
-0.190 |
Rise |
0.232 |
0.853 |
10.153 |
-0.293 |
-0.201 |
-0.198 |
Tilt |
0.004 |
0.048 |
-0.293 |
0.036 |
0.001 |
0.001 |
Roll |
0.017 |
-0.008 |
-0.201 |
0.001 |
0.021 |
0.008 |
Twist |
0.040 |
-0.190 |
-0.198 |
0.001 |
0.008 |
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 |
1.228 |
-0.121 |
0.014 |
-0.059 |
0.005 |
0.007 |
Slide |
-0.121 |
4.131 |
1.702 |
0.013 |
-0.056 |
-0.192 |
Rise |
0.014 |
1.702 |
4.491 |
-0.012 |
-0.097 |
-0.101 |
Tilt |
-0.059 |
0.013 |
-0.012 |
0.031 |
-0.002 |
-0.003 |
Roll |
0.005 |
-0.056 |
-0.097 |
-0.002 |
0.017 |
-0.003 |
Twist |
0.007 |
-0.192 |
-0.101 |
-0.003 |
-0.003 |
0.057 |
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 |
1.159 |
-0.011 |
-0.085 |
-0.058 |
0.004 |
0.009 |
Slide |
-0.011 |
3.499 |
1.814 |
-0.002 |
-0.066 |
-0.151 |
Rise |
-0.085 |
1.814 |
3.993 |
0.014 |
-0.083 |
-0.111 |
Tilt |
-0.058 |
-0.002 |
0.014 |
0.030 |
0.001 |
0.000 |
Roll |
0.004 |
-0.066 |
-0.083 |
0.001 |
0.015 |
-0.002 |
Twist |
0.009 |
-0.151 |
-0.111 |
0.000 |
-0.002 |
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 |
1.419 |
0.193 |
-0.108 |
-0.046 |
0.008 |
-0.032 |
Slide |
0.193 |
3.795 |
1.370 |
-0.025 |
-0.042 |
-0.212 |
Rise |
-0.108 |
1.370 |
8.610 |
0.236 |
-0.134 |
-0.148 |
Tilt |
-0.046 |
-0.025 |
0.236 |
0.035 |
-0.002 |
0.003 |
Roll |
0.008 |
-0.042 |
-0.134 |
-0.002 |
0.019 |
0.004 |
Twist |
-0.032 |
-0.212 |
-0.148 |
0.003 |
0.004 |
0.046 |
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 |
1.479 |
-0.215 |
0.083 |
-0.038 |
0.001 |
0.051 |
Slide |
-0.215 |
4.311 |
0.989 |
0.028 |
-0.021 |
-0.215 |
Rise |
0.083 |
0.989 |
9.240 |
-0.234 |
-0.195 |
-0.226 |
Tilt |
-0.038 |
0.028 |
-0.234 |
0.035 |
0.003 |
0.000 |
Roll |
0.001 |
-0.021 |
-0.195 |
0.003 |
0.023 |
0.003 |
Twist |
0.051 |
-0.215 |
-0.226 |
0.000 |
0.003 |
0.063 |
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 |
1.441 |
-0.193 |
0.617 |
-0.021 |
0.014 |
0.025 |
Slide |
-0.193 |
4.035 |
1.371 |
-0.011 |
-0.011 |
-0.185 |
Rise |
0.617 |
1.371 |
9.230 |
-0.307 |
-0.170 |
-0.205 |
Tilt |
-0.021 |
-0.011 |
-0.307 |
0.041 |
-0.002 |
0.001 |
Roll |
0.014 |
-0.011 |
-0.170 |
-0.002 |
0.022 |
0.006 |
Twist |
0.025 |
-0.185 |
-0.205 |
0.001 |
0.006 |
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 |
2.379 |
-0.155 |
0.656 |
-0.099 |
-0.022 |
0.035 |
Slide |
-0.155 |
4.890 |
0.976 |
-0.011 |
-0.041 |
-0.140 |
Rise |
0.656 |
0.976 |
10.557 |
-0.326 |
-0.166 |
-0.264 |
Tilt |
-0.099 |
-0.011 |
-0.326 |
0.055 |
-0.002 |
0.001 |
Roll |
-0.022 |
-0.041 |
-0.166 |
-0.002 |
0.026 |
0.008 |
Twist |
0.035 |
-0.140 |
-0.264 |
0.001 |
0.008 |
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 |
1.691 |
-0.329 |
0.511 |
-0.036 |
0.017 |
0.028 |
Slide |
-0.329 |
3.992 |
0.817 |
0.014 |
-0.001 |
-0.170 |
Rise |
0.511 |
0.817 |
9.674 |
-0.333 |
-0.201 |
-0.186 |
Tilt |
-0.036 |
0.014 |
-0.333 |
0.044 |
-0.002 |
-0.000 |
Roll |
0.017 |
-0.001 |
-0.201 |
-0.002 |
0.022 |
0.007 |
Twist |
0.028 |
-0.170 |
-0.186 |
-0.000 |
0.007 |
0.063 |
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 |
2.260 |
0.058 |
0.121 |
-0.049 |
0.013 |
0.002 |
Slide |
0.058 |
3.670 |
2.869 |
0.008 |
-0.046 |
-0.222 |
Rise |
0.121 |
2.869 |
13.848 |
-0.007 |
-0.114 |
-0.252 |
Tilt |
-0.049 |
0.008 |
-0.007 |
0.040 |
0.001 |
-0.000 |
Roll |
0.013 |
-0.046 |
-0.114 |
0.001 |
0.030 |
0.005 |
Twist |
0.002 |
-0.222 |
-0.252 |
-0.000 |
0.005 |
0.059 |
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 |
1.441 |
-0.193 |
0.617 |
-0.021 |
0.014 |
0.025 |
Slide |
-0.193 |
4.035 |
1.371 |
-0.011 |
-0.011 |
-0.185 |
Rise |
0.617 |
1.371 |
9.230 |
-0.307 |
-0.170 |
-0.205 |
Tilt |
-0.021 |
-0.011 |
-0.307 |
0.041 |
-0.002 |
0.001 |
Roll |
0.014 |
-0.011 |
-0.170 |
-0.002 |
0.022 |
0.006 |
Twist |
0.025 |
-0.185 |
-0.205 |
0.001 |
0.006 |
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 |
2.398 |
0.024 |
0.083 |
-0.054 |
-0.009 |
0.007 |
Slide |
0.024 |
3.669 |
2.963 |
0.022 |
-0.050 |
-0.230 |
Rise |
0.083 |
2.963 |
14.361 |
0.034 |
-0.095 |
-0.275 |
Tilt |
-0.054 |
0.022 |
0.034 |
0.041 |
0.001 |
-0.000 |
Roll |
-0.009 |
-0.050 |
-0.095 |
0.001 |
0.029 |
0.006 |
Twist |
0.007 |
-0.230 |
-0.275 |
-0.000 |
0.006 |
0.063 |
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 |
2.379 |
-0.155 |
0.656 |
-0.099 |
-0.022 |
0.035 |
Slide |
-0.155 |
4.890 |
0.976 |
-0.011 |
-0.041 |
-0.140 |
Rise |
0.656 |
0.976 |
10.557 |
-0.326 |
-0.166 |
-0.264 |
Tilt |
-0.099 |
-0.011 |
-0.326 |
0.055 |
-0.002 |
0.001 |
Roll |
-0.022 |
-0.041 |
-0.166 |
-0.002 |
0.026 |
0.008 |
Twist |
0.035 |
-0.140 |
-0.264 |
0.001 |
0.008 |
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 |
1.520 |
0.332 |
-0.057 |
-0.007 |
0.011 |
0.007 |
Slide |
0.332 |
4.546 |
0.970 |
-0.009 |
-0.068 |
-0.133 |
Rise |
-0.057 |
0.970 |
5.094 |
-0.049 |
-0.132 |
-0.121 |
Tilt |
-0.007 |
-0.009 |
-0.049 |
0.031 |
-0.001 |
0.000 |
Roll |
0.011 |
-0.068 |
-0.132 |
-0.001 |
0.020 |
0.002 |
Twist |
0.007 |
-0.133 |
-0.121 |
0.000 |
0.002 |
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 |
1.568 |
-0.447 |
-0.009 |
-0.010 |
-0.006 |
-0.012 |
Slide |
-0.447 |
4.591 |
0.983 |
0.040 |
-0.070 |
-0.125 |
Rise |
-0.009 |
0.983 |
5.060 |
0.014 |
-0.143 |
-0.093 |
Tilt |
-0.010 |
0.040 |
0.014 |
0.030 |
-0.000 |
-0.002 |
Roll |
-0.006 |
-0.070 |
-0.143 |
-0.000 |
0.019 |
0.002 |
Twist |
-0.012 |
-0.125 |
-0.093 |
-0.002 |
0.002 |
0.057 |
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 |
1.228 |
-0.121 |
0.014 |
-0.059 |
0.005 |
0.007 |
Slide |
-0.121 |
4.131 |
1.702 |
0.013 |
-0.056 |
-0.192 |
Rise |
0.014 |
1.702 |
4.491 |
-0.012 |
-0.097 |
-0.101 |
Tilt |
-0.059 |
0.013 |
-0.012 |
0.031 |
-0.002 |
-0.003 |
Roll |
0.005 |
-0.056 |
-0.097 |
-0.002 |
0.017 |
-0.003 |
Twist |
0.007 |
-0.192 |
-0.101 |
-0.003 |
-0.003 |
0.057 |
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 |
1.477 |
-0.397 |
-0.062 |
-0.018 |
-0.006 |
-0.009 |
Slide |
-0.397 |
5.076 |
0.967 |
0.039 |
-0.056 |
-0.179 |
Rise |
-0.062 |
0.967 |
5.500 |
0.023 |
-0.107 |
-0.097 |
Tilt |
-0.018 |
0.039 |
0.023 |
0.034 |
-0.000 |
-0.001 |
Roll |
-0.006 |
-0.056 |
-0.107 |
-0.000 |
0.017 |
0.001 |
Twist |
-0.009 |
-0.179 |
-0.097 |
-0.001 |
0.001 |
0.064 |
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 |
1.568 |
-0.447 |
-0.009 |
-0.010 |
-0.006 |
-0.012 |
Slide |
-0.447 |
4.591 |
0.983 |
0.040 |
-0.070 |
-0.125 |
Rise |
-0.009 |
0.983 |
5.060 |
0.014 |
-0.143 |
-0.093 |
Tilt |
-0.010 |
0.040 |
0.014 |
0.030 |
-0.000 |
-0.002 |
Roll |
-0.006 |
-0.070 |
-0.143 |
-0.000 |
0.019 |
0.002 |
Twist |
-0.012 |
-0.125 |
-0.093 |
-0.002 |
0.002 |
0.057 |
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)