| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
3.159 |
0.367 |
0.863 |
-0.059 |
0.034 |
0.024 |
Slide |
0.367 |
3.247 |
1.243 |
0.017 |
-0.051 |
-0.172 |
Rise |
0.863 |
1.243 |
9.400 |
-0.237 |
-0.018 |
-0.194 |
Tilt |
-0.059 |
0.017 |
-0.237 |
0.043 |
-0.002 |
0.006 |
Roll |
0.034 |
-0.051 |
-0.018 |
-0.002 |
0.027 |
0.013 |
Twist |
0.024 |
-0.172 |
-0.194 |
0.006 |
0.013 |
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 |
2.161 |
1.231 |
0.896 |
-0.039 |
0.007 |
0.031 |
Slide |
1.231 |
3.670 |
1.052 |
0.000 |
-0.059 |
-0.160 |
Rise |
0.896 |
1.053 |
11.262 |
-0.254 |
0.018 |
-0.188 |
Tilt |
-0.039 |
0.000 |
-0.254 |
0.052 |
-0.002 |
0.008 |
Roll |
0.007 |
-0.059 |
0.018 |
-0.002 |
0.024 |
0.011 |
Twist |
0.031 |
-0.160 |
-0.188 |
0.008 |
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 |
3.060 |
-0.207 |
-0.441 |
-0.029 |
0.055 |
0.075 |
Slide |
-0.207 |
5.591 |
2.269 |
-0.063 |
-0.052 |
-0.215 |
Rise |
-0.441 |
2.269 |
9.255 |
-0.301 |
-0.110 |
-0.263 |
Tilt |
-0.029 |
-0.063 |
-0.301 |
0.053 |
0.002 |
0.011 |
Roll |
0.055 |
-0.052 |
-0.110 |
0.002 |
0.035 |
0.010 |
Twist |
0.075 |
-0.215 |
-0.263 |
0.011 |
0.010 |
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 |
1.473 |
0.308 |
0.083 |
-0.081 |
0.014 |
0.063 |
Slide |
0.308 |
3.996 |
2.981 |
-0.055 |
-0.005 |
-0.088 |
Rise |
0.083 |
2.981 |
11.124 |
0.054 |
0.069 |
-0.148 |
Tilt |
-0.081 |
-0.055 |
0.054 |
0.045 |
0.004 |
0.007 |
Roll |
0.014 |
-0.005 |
0.069 |
0.004 |
0.027 |
0.014 |
Twist |
0.063 |
-0.088 |
-0.148 |
0.007 |
0.014 |
0.053 |
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 |
2.091 |
0.520 |
0.252 |
-0.098 |
-0.019 |
0.025 |
Slide |
0.520 |
4.249 |
2.742 |
-0.038 |
0.044 |
-0.183 |
Rise |
0.252 |
2.742 |
11.083 |
0.060 |
0.077 |
-0.234 |
Tilt |
-0.098 |
-0.038 |
0.060 |
0.048 |
0.006 |
0.006 |
Roll |
-0.019 |
0.044 |
0.077 |
0.006 |
0.029 |
0.009 |
Twist |
0.025 |
-0.183 |
-0.234 |
0.006 |
0.009 |
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 |
2.374 |
0.543 |
0.057 |
-0.079 |
0.026 |
0.002 |
Slide |
0.543 |
3.639 |
2.781 |
-0.074 |
0.023 |
-0.151 |
Rise |
0.057 |
2.781 |
9.658 |
0.004 |
0.076 |
-0.165 |
Tilt |
-0.079 |
-0.074 |
0.004 |
0.043 |
0.006 |
0.010 |
Roll |
0.026 |
0.023 |
0.076 |
0.006 |
0.028 |
0.010 |
Twist |
0.002 |
-0.151 |
-0.165 |
0.010 |
0.010 |
0.053 |
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 |
2.343 |
-0.764 |
-0.542 |
-0.001 |
-0.023 |
0.016 |
Slide |
-0.764 |
6.428 |
3.075 |
-0.007 |
-0.097 |
-0.177 |
Rise |
-0.542 |
3.075 |
11.671 |
-0.061 |
0.085 |
-0.106 |
Tilt |
-0.001 |
-0.007 |
-0.061 |
0.046 |
0.001 |
0.004 |
Roll |
-0.023 |
-0.097 |
0.085 |
0.001 |
0.038 |
0.015 |
Twist |
0.016 |
-0.177 |
-0.106 |
0.004 |
0.015 |
0.062 |
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 |
1.373 |
-0.511 |
0.043 |
-0.066 |
0.044 |
0.023 |
Slide |
-0.511 |
2.427 |
1.621 |
-0.017 |
-0.020 |
-0.137 |
Rise |
0.043 |
1.621 |
7.085 |
-0.007 |
-0.116 |
-0.246 |
Tilt |
-0.066 |
-0.017 |
-0.007 |
0.033 |
0.001 |
0.003 |
Roll |
0.044 |
-0.020 |
-0.116 |
0.001 |
0.020 |
0.012 |
Twist |
0.023 |
-0.137 |
-0.246 |
0.003 |
0.013 |
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 |
2.584 |
-0.604 |
-0.114 |
-0.138 |
0.031 |
0.024 |
Slide |
-0.604 |
4.046 |
0.421 |
0.015 |
0.017 |
-0.157 |
Rise |
-0.114 |
0.421 |
9.949 |
-0.038 |
-0.126 |
-0.218 |
Tilt |
-0.138 |
0.015 |
-0.038 |
0.038 |
-0.000 |
-0.005 |
Roll |
0.031 |
0.017 |
-0.126 |
-0.000 |
0.019 |
0.008 |
Twist |
0.024 |
-0.157 |
-0.218 |
-0.005 |
0.008 |
0.053 |
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 |
2.094 |
-0.709 |
-0.244 |
-0.035 |
-0.033 |
-0.128 |
Slide |
-0.709 |
3.002 |
1.219 |
-0.067 |
-0.050 |
-0.098 |
Rise |
-0.244 |
1.219 |
7.770 |
0.139 |
0.018 |
-0.098 |
Tilt |
-0.035 |
-0.067 |
0.139 |
0.041 |
0.000 |
0.003 |
Roll |
-0.033 |
-0.050 |
0.018 |
0.000 |
0.024 |
0.003 |
Twist |
-0.128 |
-0.098 |
-0.098 |
0.003 |
0.003 |
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 |
2.909 |
1.028 |
0.205 |
-0.023 |
-0.021 |
-0.044 |
Slide |
1.028 |
7.448 |
3.607 |
-0.011 |
0.003 |
-0.175 |
Rise |
0.205 |
3.607 |
12.242 |
-0.099 |
0.111 |
-0.130 |
Tilt |
-0.023 |
-0.011 |
-0.099 |
0.047 |
-0.006 |
0.000 |
Roll |
-0.021 |
0.003 |
0.111 |
-0.006 |
0.027 |
0.017 |
Twist |
-0.044 |
-0.175 |
-0.130 |
0.000 |
0.017 |
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 |
1.601 |
1.300 |
-0.467 |
-0.014 |
-0.019 |
-0.088 |
Slide |
1.300 |
3.209 |
0.656 |
0.028 |
0.013 |
-0.226 |
Rise |
-0.467 |
0.656 |
7.972 |
0.032 |
-0.090 |
-0.178 |
Tilt |
-0.014 |
0.028 |
0.032 |
0.026 |
-0.002 |
0.003 |
Roll |
-0.019 |
0.013 |
-0.090 |
-0.002 |
0.015 |
0.010 |
Twist |
-0.088 |
-0.226 |
-0.178 |
0.003 |
0.010 |
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 |
3.398 |
1.224 |
-0.406 |
-0.080 |
-0.024 |
-0.078 |
Slide |
1.224 |
6.515 |
1.371 |
-0.060 |
-0.045 |
-0.227 |
Rise |
-0.406 |
1.371 |
8.177 |
0.030 |
-0.052 |
-0.118 |
Tilt |
-0.080 |
-0.060 |
0.030 |
0.036 |
-0.004 |
0.000 |
Roll |
-0.024 |
-0.045 |
-0.052 |
-0.004 |
0.021 |
0.001 |
Twist |
-0.078 |
-0.227 |
-0.118 |
0.000 |
0.001 |
0.089 |
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 |
1.754 |
-0.385 |
0.406 |
-0.061 |
-0.064 |
-0.015 |
Slide |
-0.385 |
4.017 |
1.868 |
0.051 |
-0.039 |
-0.183 |
Rise |
0.406 |
1.868 |
6.252 |
-0.002 |
-0.052 |
-0.161 |
Tilt |
-0.061 |
0.051 |
-0.002 |
0.033 |
0.001 |
-0.003 |
Roll |
-0.064 |
-0.039 |
-0.052 |
0.001 |
0.018 |
0.010 |
Twist |
-0.015 |
-0.183 |
-0.161 |
-0.003 |
0.010 |
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)