| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.109 |
0.000 |
0.000 |
-0.032 |
0.000 |
0.000 |
Slide |
0.000 |
2.447 |
0.342 |
0.000 |
-0.059 |
-0.211 |
Rise |
0.000 |
0.342 |
6.444 |
0.000 |
0.085 |
-0.127 |
Tilt |
-0.032 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
0.085 |
0.000 |
0.018 |
0.011 |
Twist |
0.000 |
-0.211 |
-0.127 |
0.000 |
0.011 |
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 |
0.850 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
4.712 |
0.756 |
0.000 |
-0.033 |
-0.228 |
Rise |
0.000 |
0.756 |
6.931 |
0.000 |
0.041 |
-0.142 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
0.041 |
0.000 |
0.015 |
0.008 |
Twist |
0.000 |
-0.228 |
-0.142 |
0.000 |
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 |
0.302 |
0.000 |
0.000 |
-0.024 |
0.000 |
0.000 |
Slide |
0.000 |
2.595 |
0.794 |
0.000 |
-0.001 |
-0.178 |
Rise |
0.000 |
0.794 |
5.465 |
0.000 |
0.044 |
-0.079 |
Tilt |
-0.024 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
0.044 |
0.000 |
0.013 |
0.004 |
Twist |
0.000 |
-0.178 |
-0.079 |
0.000 |
0.004 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.929 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
2.466 |
0.994 |
0.000 |
0.048 |
-0.188 |
Rise |
0.000 |
0.994 |
5.889 |
0.000 |
0.071 |
-0.156 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.048 |
0.071 |
0.000 |
0.016 |
-0.001 |
Twist |
0.000 |
-0.188 |
-0.156 |
0.000 |
-0.001 |
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 |
0.751 |
0.000 |
0.000 |
-0.021 |
0.000 |
0.000 |
Slide |
0.000 |
3.857 |
0.603 |
0.000 |
-0.038 |
-0.199 |
Rise |
0.000 |
0.603 |
5.471 |
0.000 |
0.017 |
-0.125 |
Tilt |
-0.021 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.038 |
0.017 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.199 |
-0.125 |
0.000 |
0.009 |
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 |
1.232 |
0.000 |
0.000 |
-0.014 |
0.000 |
0.000 |
Slide |
0.000 |
3.032 |
1.760 |
0.000 |
-0.066 |
-0.201 |
Rise |
0.000 |
1.760 |
7.540 |
0.000 |
-0.056 |
-0.192 |
Tilt |
-0.014 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.056 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.201 |
-0.192 |
0.000 |
0.010 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.801 |
0.000 |
0.000 |
-0.010 |
0.000 |
0.000 |
Slide |
0.000 |
3.383 |
1.272 |
0.000 |
-0.135 |
-0.048 |
Rise |
0.000 |
1.272 |
8.116 |
0.000 |
-0.122 |
-0.183 |
Tilt |
-0.010 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.135 |
-0.122 |
0.000 |
0.031 |
0.011 |
Twist |
0.000 |
-0.048 |
-0.183 |
0.000 |
0.011 |
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 |
1.121 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
3.389 |
0.629 |
0.000 |
-0.061 |
-0.151 |
Rise |
0.000 |
0.629 |
8.182 |
0.000 |
-0.071 |
-0.196 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.071 |
0.000 |
0.026 |
0.011 |
Twist |
0.000 |
-0.151 |
-0.196 |
0.000 |
0.011 |
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 |
1.027 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
2.727 |
1.027 |
0.000 |
-0.115 |
-0.168 |
Rise |
0.000 |
1.027 |
8.345 |
0.000 |
-0.076 |
-0.172 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.115 |
-0.076 |
0.000 |
0.020 |
0.010 |
Twist |
0.000 |
-0.168 |
-0.172 |
0.000 |
0.010 |
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 |
1.304 |
0.000 |
0.000 |
-0.033 |
0.000 |
0.000 |
Slide |
0.000 |
2.624 |
1.365 |
0.000 |
-0.126 |
-0.116 |
Rise |
0.000 |
1.365 |
8.297 |
0.000 |
-0.058 |
-0.184 |
Tilt |
-0.033 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.126 |
-0.058 |
0.000 |
0.021 |
0.012 |
Twist |
0.000 |
-0.116 |
-0.184 |
0.000 |
0.012 |
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 |
0.691 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
2.537 |
0.025 |
0.000 |
-0.022 |
-0.219 |
Rise |
0.000 |
0.025 |
8.735 |
0.000 |
0.005 |
-0.116 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
0.005 |
0.000 |
0.022 |
0.006 |
Twist |
0.000 |
-0.219 |
-0.116 |
0.000 |
0.006 |
0.050 |
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 |
1.463 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
3.482 |
1.587 |
0.000 |
-0.090 |
-0.183 |
Rise |
0.000 |
1.587 |
7.997 |
0.000 |
-0.107 |
-0.176 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.090 |
-0.107 |
0.000 |
0.029 |
0.010 |
Twist |
0.000 |
-0.183 |
-0.176 |
0.000 |
0.010 |
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 |
1.816 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
4.476 |
1.930 |
0.000 |
-0.139 |
-0.196 |
Rise |
0.000 |
1.930 |
9.528 |
0.000 |
-0.155 |
-0.169 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.139 |
-0.155 |
0.000 |
0.032 |
0.004 |
Twist |
0.000 |
-0.196 |
-0.169 |
0.000 |
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 |
1.021 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
4.623 |
3.295 |
0.000 |
-0.029 |
-0.119 |
Rise |
0.000 |
3.295 |
11.368 |
0.000 |
0.008 |
-0.242 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.029 |
0.008 |
0.000 |
0.027 |
0.007 |
Twist |
0.000 |
-0.119 |
-0.242 |
0.000 |
0.007 |
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 |
0.745 |
0.000 |
0.000 |
-0.012 |
0.000 |
0.000 |
Slide |
0.000 |
3.758 |
2.159 |
0.000 |
-0.036 |
-0.061 |
Rise |
0.000 |
2.159 |
9.099 |
0.000 |
-0.063 |
-0.210 |
Tilt |
-0.012 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.063 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.061 |
-0.210 |
0.000 |
0.011 |
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 |
1.487 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
3.524 |
2.913 |
0.000 |
-0.001 |
-0.130 |
Rise |
0.000 |
2.913 |
9.272 |
0.000 |
0.055 |
-0.185 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
0.055 |
0.000 |
0.024 |
0.007 |
Twist |
0.000 |
-0.130 |
-0.185 |
0.000 |
0.007 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.811 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
3.360 |
2.289 |
0.000 |
-0.018 |
-0.125 |
Rise |
0.000 |
2.289 |
9.863 |
0.000 |
-0.010 |
-0.209 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.018 |
-0.010 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.125 |
-0.208 |
0.000 |
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 |
1.084 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.175 |
2.644 |
0.000 |
0.016 |
-0.102 |
Rise |
0.000 |
2.644 |
10.992 |
0.000 |
0.045 |
-0.230 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
0.045 |
0.000 |
0.026 |
0.002 |
Twist |
0.000 |
-0.102 |
-0.230 |
0.000 |
0.002 |
0.024 |
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 |
1.861 |
0.000 |
0.000 |
-0.018 |
0.000 |
0.000 |
Slide |
0.000 |
5.300 |
3.178 |
0.000 |
0.015 |
-0.150 |
Rise |
0.000 |
3.178 |
11.040 |
0.000 |
0.015 |
-0.240 |
Tilt |
-0.018 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
0.015 |
0.000 |
0.036 |
0.004 |
Twist |
0.000 |
-0.150 |
-0.240 |
0.000 |
0.004 |
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 |
0.677 |
0.000 |
0.000 |
-0.008 |
0.000 |
0.000 |
Slide |
0.000 |
4.171 |
2.986 |
0.000 |
-0.036 |
-0.079 |
Rise |
0.000 |
2.986 |
9.992 |
0.000 |
-0.027 |
-0.210 |
Tilt |
-0.008 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.027 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.079 |
-0.210 |
0.000 |
0.010 |
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 |
0.337 |
0.000 |
0.000 |
-0.017 |
0.000 |
0.000 |
Slide |
0.000 |
3.252 |
0.436 |
0.000 |
0.055 |
-0.168 |
Rise |
0.000 |
0.436 |
6.983 |
0.000 |
0.060 |
-0.131 |
Tilt |
-0.017 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.055 |
0.060 |
0.000 |
0.013 |
0.000 |
Twist |
0.000 |
-0.168 |
-0.131 |
0.000 |
0.000 |
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 |
0.969 |
0.000 |
0.000 |
-0.138 |
0.000 |
0.000 |
Slide |
0.000 |
3.381 |
1.880 |
0.000 |
-0.062 |
-0.112 |
Rise |
0.000 |
1.880 |
8.804 |
0.000 |
-0.072 |
-0.214 |
Tilt |
-0.138 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
-0.072 |
0.000 |
0.025 |
0.005 |
Twist |
0.000 |
-0.112 |
-0.214 |
0.000 |
0.005 |
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 |
0.684 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.162 |
1.661 |
0.000 |
-0.065 |
-0.105 |
Rise |
0.000 |
1.661 |
7.826 |
0.000 |
-0.114 |
-0.168 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
-0.114 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.105 |
-0.168 |
0.000 |
0.007 |
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 |
1.007 |
0.000 |
0.000 |
-0.018 |
0.000 |
0.000 |
Slide |
0.000 |
2.797 |
1.682 |
0.000 |
-0.072 |
-0.089 |
Rise |
0.000 |
1.682 |
8.616 |
0.000 |
-0.084 |
-0.200 |
Tilt |
-0.018 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.072 |
-0.084 |
0.000 |
0.025 |
0.010 |
Twist |
0.000 |
-0.089 |
-0.200 |
0.000 |
0.010 |
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 |
0.799 |
0.000 |
0.000 |
-0.024 |
0.000 |
0.000 |
Slide |
0.000 |
2.938 |
0.874 |
0.000 |
-0.043 |
-0.202 |
Rise |
0.000 |
0.874 |
7.693 |
0.000 |
-0.017 |
-0.134 |
Tilt |
-0.024 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.017 |
0.000 |
0.018 |
0.013 |
Twist |
0.000 |
-0.202 |
-0.134 |
0.000 |
0.013 |
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 |
1.132 |
0.000 |
0.000 |
-0.116 |
0.000 |
0.000 |
Slide |
0.000 |
2.619 |
0.894 |
0.000 |
0.004 |
-0.163 |
Rise |
0.000 |
0.894 |
6.065 |
0.000 |
-0.046 |
-0.204 |
Tilt |
-0.116 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.046 |
0.000 |
0.018 |
0.002 |
Twist |
0.000 |
-0.163 |
-0.204 |
0.000 |
0.002 |
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 |
0.336 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
1.930 |
0.751 |
0.000 |
0.057 |
-0.092 |
Rise |
0.000 |
0.751 |
7.244 |
0.000 |
0.052 |
-0.115 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.057 |
0.052 |
0.000 |
0.015 |
-0.007 |
Twist |
0.000 |
-0.092 |
-0.115 |
0.000 |
-0.007 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.382 |
0.000 |
0.000 |
-0.031 |
0.000 |
0.000 |
Slide |
0.000 |
3.226 |
0.419 |
0.000 |
-0.046 |
-0.292 |
Rise |
0.000 |
0.419 |
7.858 |
0.000 |
0.057 |
-0.138 |
Tilt |
-0.031 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
-0.046 |
0.057 |
0.000 |
0.016 |
0.000 |
Twist |
0.000 |
-0.292 |
-0.138 |
0.000 |
0.000 |
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 |
0.815 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
3.116 |
1.346 |
0.000 |
-0.007 |
-0.267 |
Rise |
0.000 |
1.346 |
6.893 |
0.000 |
0.059 |
-0.185 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
-0.007 |
0.059 |
0.000 |
0.018 |
-0.002 |
Twist |
0.000 |
-0.267 |
-0.185 |
0.000 |
-0.002 |
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 |
1.082 |
0.000 |
0.000 |
-0.009 |
0.000 |
0.000 |
Slide |
0.000 |
4.306 |
2.731 |
0.000 |
0.050 |
-0.280 |
Rise |
0.000 |
2.731 |
9.201 |
0.000 |
0.095 |
-0.177 |
Tilt |
-0.009 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.050 |
0.095 |
0.000 |
0.027 |
0.012 |
Twist |
0.000 |
-0.280 |
-0.177 |
0.000 |
0.012 |
0.067 |
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 |
1.536 |
0.000 |
0.000 |
-0.027 |
0.000 |
0.000 |
Slide |
0.000 |
4.449 |
2.783 |
0.000 |
-0.057 |
-0.157 |
Rise |
0.000 |
2.783 |
10.650 |
0.000 |
0.075 |
-0.131 |
Tilt |
-0.027 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
0.075 |
0.000 |
0.032 |
0.015 |
Twist |
0.000 |
-0.157 |
-0.131 |
0.000 |
0.015 |
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 |
1.987 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Slide |
0.000 |
5.380 |
2.963 |
0.000 |
-0.092 |
-0.151 |
Rise |
0.000 |
2.963 |
11.867 |
0.000 |
0.123 |
-0.138 |
Tilt |
0.043 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.092 |
0.123 |
0.000 |
0.032 |
0.017 |
Twist |
0.000 |
-0.151 |
-0.138 |
0.000 |
0.017 |
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 |
1.056 |
0.000 |
0.000 |
-0.017 |
0.000 |
0.000 |
Slide |
0.000 |
4.077 |
2.355 |
0.000 |
0.001 |
-0.153 |
Rise |
0.000 |
2.355 |
10.624 |
0.000 |
0.138 |
-0.129 |
Tilt |
-0.017 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
0.138 |
0.000 |
0.028 |
0.009 |
Twist |
0.000 |
-0.153 |
-0.129 |
0.000 |
0.009 |
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 |
1.456 |
0.000 |
0.000 |
-0.012 |
0.000 |
0.000 |
Slide |
0.000 |
3.451 |
2.764 |
0.000 |
-0.020 |
-0.134 |
Rise |
0.000 |
2.764 |
10.194 |
0.000 |
0.073 |
-0.166 |
Tilt |
-0.012 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
0.073 |
0.000 |
0.030 |
0.009 |
Twist |
0.000 |
-0.134 |
-0.166 |
0.000 |
0.009 |
0.039 |
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 |
2.142 |
0.000 |
0.000 |
-0.014 |
0.000 |
0.000 |
Slide |
0.000 |
5.176 |
2.642 |
0.000 |
0.009 |
-0.313 |
Rise |
0.000 |
2.642 |
9.147 |
0.000 |
0.110 |
-0.133 |
Tilt |
-0.014 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
0.110 |
0.000 |
0.030 |
0.011 |
Twist |
0.000 |
-0.313 |
-0.133 |
0.000 |
0.011 |
0.077 |
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 |
1.464 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Slide |
0.000 |
4.888 |
3.070 |
0.000 |
-0.059 |
-0.113 |
Rise |
0.000 |
3.070 |
10.583 |
0.000 |
0.058 |
-0.165 |
Tilt |
0.022 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
0.058 |
0.000 |
0.024 |
0.013 |
Twist |
0.000 |
-0.113 |
-0.165 |
0.000 |
0.013 |
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 |
1.610 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Slide |
0.000 |
5.674 |
3.375 |
0.000 |
-0.140 |
-0.039 |
Rise |
0.000 |
3.375 |
10.739 |
0.000 |
-0.037 |
-0.141 |
Tilt |
0.027 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.140 |
-0.037 |
0.000 |
0.031 |
0.012 |
Twist |
0.000 |
-0.039 |
-0.141 |
0.000 |
0.012 |
0.040 |
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 |
1.472 |
0.000 |
0.000 |
0.006 |
0.000 |
0.000 |
Slide |
0.000 |
4.395 |
2.041 |
0.000 |
-0.060 |
-0.044 |
Rise |
0.000 |
2.041 |
10.239 |
0.000 |
0.067 |
-0.136 |
Tilt |
0.006 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
0.067 |
0.000 |
0.028 |
0.011 |
Twist |
0.000 |
-0.044 |
-0.136 |
0.000 |
0.011 |
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 |
1.773 |
0.000 |
0.000 |
0.018 |
0.000 |
0.000 |
Slide |
0.000 |
5.096 |
3.421 |
0.000 |
-0.101 |
-0.106 |
Rise |
0.000 |
3.421 |
11.327 |
0.000 |
0.087 |
-0.126 |
Tilt |
0.018 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.101 |
0.087 |
0.000 |
0.031 |
0.013 |
Twist |
0.000 |
-0.106 |
-0.126 |
0.000 |
0.013 |
0.048 |
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 |
2.205 |
0.000 |
0.000 |
-0.021 |
0.000 |
0.000 |
Slide |
0.000 |
6.562 |
2.965 |
0.000 |
-0.105 |
-0.158 |
Rise |
0.000 |
2.965 |
10.044 |
0.000 |
-0.063 |
-0.160 |
Tilt |
-0.021 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.105 |
-0.063 |
0.000 |
0.034 |
0.012 |
Twist |
0.000 |
-0.158 |
-0.160 |
0.000 |
0.012 |
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 |
1.523 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Slide |
0.000 |
4.189 |
2.684 |
0.000 |
-0.045 |
-0.056 |
Rise |
0.000 |
2.684 |
10.781 |
0.000 |
0.087 |
-0.124 |
Tilt |
0.001 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
0.087 |
0.000 |
0.029 |
0.012 |
Twist |
0.000 |
-0.056 |
-0.124 |
0.000 |
0.012 |
0.042 |
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 |
1.536 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Slide |
0.000 |
5.893 |
3.332 |
0.000 |
-0.117 |
-0.032 |
Rise |
0.000 |
3.332 |
11.067 |
0.000 |
0.003 |
-0.110 |
Tilt |
0.046 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.117 |
0.003 |
0.000 |
0.031 |
0.012 |
Twist |
0.000 |
-0.032 |
-0.110 |
0.000 |
0.012 |
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 |
0.683 |
0.000 |
0.000 |
-0.049 |
0.000 |
0.000 |
Slide |
0.000 |
3.059 |
0.576 |
0.000 |
0.012 |
-0.094 |
Rise |
0.000 |
0.576 |
8.997 |
0.000 |
-0.188 |
-0.243 |
Tilt |
-0.049 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.188 |
0.000 |
0.026 |
0.012 |
Twist |
0.000 |
-0.094 |
-0.243 |
0.000 |
0.012 |
0.025 |
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 |
0.842 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
2.631 |
0.907 |
0.000 |
-0.014 |
-0.137 |
Rise |
0.000 |
0.907 |
8.337 |
0.000 |
-0.108 |
-0.201 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
-0.108 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.137 |
-0.201 |
0.000 |
0.012 |
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 |
0.709 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.822 |
1.352 |
0.000 |
0.024 |
-0.208 |
Rise |
0.000 |
1.352 |
4.352 |
0.000 |
0.069 |
-0.105 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.024 |
0.069 |
0.000 |
0.010 |
-0.001 |
Twist |
0.000 |
-0.208 |
-0.105 |
0.000 |
-0.001 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.743 |
0.000 |
0.000 |
-0.037 |
0.000 |
0.000 |
Slide |
0.000 |
1.893 |
1.200 |
0.000 |
0.018 |
-0.065 |
Rise |
0.000 |
1.200 |
6.730 |
0.000 |
-0.100 |
-0.183 |
Tilt |
-0.037 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
-0.100 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.065 |
-0.183 |
0.000 |
0.009 |
0.023 |
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 |
0.741 |
0.000 |
0.000 |
-0.110 |
0.000 |
0.000 |
Slide |
0.000 |
4.196 |
0.817 |
0.000 |
-0.018 |
-0.243 |
Rise |
0.000 |
0.817 |
7.855 |
0.000 |
-0.003 |
-0.175 |
Tilt |
-0.110 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.018 |
-0.003 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.243 |
-0.175 |
0.000 |
0.007 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.784 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
3.086 |
0.030 |
0.000 |
0.021 |
-0.182 |
Rise |
0.000 |
0.030 |
8.876 |
0.000 |
-0.046 |
-0.129 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.046 |
0.000 |
0.018 |
0.005 |
Twist |
0.000 |
-0.182 |
-0.129 |
0.000 |
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 |
0.569 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.788 |
0.848 |
0.000 |
0.005 |
-0.147 |
Rise |
0.000 |
0.848 |
6.112 |
0.000 |
-0.026 |
-0.192 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.026 |
0.000 |
0.010 |
0.000 |
Twist |
0.000 |
-0.147 |
-0.192 |
0.000 |
0.000 |
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 |
0.804 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
3.141 |
0.619 |
0.000 |
0.012 |
-0.124 |
Rise |
0.000 |
0.619 |
7.016 |
0.000 |
-0.133 |
-0.226 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.133 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.124 |
-0.226 |
0.000 |
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 |
0.745 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
3.008 |
1.489 |
0.000 |
-0.001 |
-0.207 |
Rise |
0.000 |
1.489 |
6.546 |
0.000 |
-0.048 |
-0.129 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.048 |
0.000 |
0.018 |
0.004 |
Twist |
0.000 |
-0.207 |
-0.129 |
0.000 |
0.004 |
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 |
1.070 |
0.000 |
0.000 |
-0.033 |
0.000 |
0.000 |
Slide |
0.000 |
3.151 |
0.842 |
0.000 |
0.006 |
-0.042 |
Rise |
0.000 |
0.842 |
6.622 |
0.000 |
-0.169 |
-0.220 |
Tilt |
-0.033 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.169 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.042 |
-0.220 |
0.000 |
0.010 |
0.019 |
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 |
0.850 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
2.586 |
0.907 |
0.000 |
-0.005 |
-0.097 |
Rise |
0.000 |
0.907 |
5.742 |
0.000 |
0.011 |
-0.118 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
0.011 |
0.000 |
0.012 |
0.006 |
Twist |
0.000 |
-0.097 |
-0.118 |
0.000 |
0.006 |
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 |
0.711 |
0.000 |
0.000 |
-0.003 |
0.000 |
0.000 |
Slide |
0.000 |
2.515 |
1.175 |
0.000 |
-0.006 |
-0.154 |
Rise |
0.000 |
1.175 |
6.852 |
0.000 |
-0.130 |
-0.141 |
Tilt |
-0.003 |
0.000 |
0.000 |
0.012 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.130 |
0.000 |
0.024 |
0.004 |
Twist |
0.000 |
-0.154 |
-0.141 |
0.000 |
0.004 |
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 |
1.005 |
0.000 |
0.000 |
-0.113 |
0.000 |
0.000 |
Slide |
0.000 |
2.453 |
0.685 |
0.000 |
0.009 |
-0.149 |
Rise |
0.000 |
0.685 |
7.650 |
0.000 |
-0.028 |
-0.188 |
Tilt |
-0.113 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.028 |
0.000 |
0.019 |
0.004 |
Twist |
0.000 |
-0.149 |
-0.188 |
0.000 |
0.004 |
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 |
0.695 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
2.210 |
1.039 |
0.000 |
0.021 |
-0.065 |
Rise |
0.000 |
1.039 |
7.719 |
0.000 |
-0.101 |
-0.202 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.101 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.065 |
-0.202 |
0.000 |
0.007 |
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 |
0.609 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
3.466 |
0.681 |
0.000 |
0.021 |
-0.223 |
Rise |
0.000 |
0.681 |
7.424 |
0.000 |
0.045 |
-0.145 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
0.045 |
0.000 |
0.015 |
0.008 |
Twist |
0.000 |
-0.223 |
-0.145 |
0.000 |
0.008 |
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 |
1.325 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
1.885 |
1.829 |
0.000 |
-0.036 |
-0.121 |
Rise |
0.000 |
1.829 |
7.767 |
0.000 |
-0.074 |
-0.162 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.074 |
0.000 |
0.022 |
0.006 |
Twist |
0.000 |
-0.121 |
-0.162 |
0.000 |
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 |
1.353 |
0.000 |
0.000 |
-0.142 |
0.000 |
0.000 |
Slide |
0.000 |
2.464 |
1.640 |
0.000 |
-0.029 |
-0.161 |
Rise |
0.000 |
1.640 |
7.718 |
0.000 |
-0.017 |
-0.176 |
Tilt |
-0.142 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.029 |
-0.017 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.161 |
-0.176 |
0.000 |
0.009 |
0.039 |
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 |
1.901 |
0.000 |
0.000 |
-0.206 |
0.000 |
0.000 |
Slide |
0.000 |
4.196 |
0.852 |
0.000 |
0.037 |
-0.228 |
Rise |
0.000 |
0.852 |
8.867 |
0.000 |
0.087 |
-0.032 |
Tilt |
-0.206 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.037 |
0.087 |
0.000 |
0.025 |
-0.001 |
Twist |
0.000 |
-0.228 |
-0.032 |
0.000 |
-0.001 |
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 |
0.736 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
2.061 |
1.416 |
0.000 |
-0.001 |
-0.120 |
Rise |
0.000 |
1.415 |
8.042 |
0.000 |
-0.060 |
-0.197 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.060 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.120 |
-0.197 |
0.000 |
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 |
1.017 |
0.000 |
0.000 |
-0.155 |
0.000 |
0.000 |
Slide |
0.000 |
3.506 |
0.521 |
0.000 |
-0.008 |
-0.290 |
Rise |
0.000 |
0.521 |
6.896 |
0.000 |
0.123 |
-0.089 |
Tilt |
-0.155 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
0.123 |
0.000 |
0.022 |
-0.002 |
Twist |
0.000 |
-0.290 |
-0.089 |
0.000 |
-0.002 |
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 |
0.814 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
2.007 |
2.160 |
0.000 |
-0.031 |
-0.142 |
Rise |
0.000 |
2.160 |
8.000 |
0.000 |
-0.078 |
-0.187 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
-0.078 |
0.000 |
0.021 |
0.005 |
Twist |
0.000 |
-0.142 |
-0.187 |
0.000 |
0.005 |
0.023 |
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 |
1.034 |
0.000 |
0.000 |
-0.135 |
0.000 |
0.000 |
Slide |
0.000 |
3.120 |
1.328 |
0.000 |
-0.055 |
-0.059 |
Rise |
0.000 |
1.328 |
6.640 |
0.000 |
-0.043 |
-0.192 |
Tilt |
-0.135 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.043 |
0.000 |
0.021 |
0.007 |
Twist |
0.000 |
-0.059 |
-0.192 |
0.000 |
0.007 |
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 |
1.004 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
2.822 |
1.973 |
0.000 |
-0.091 |
-0.109 |
Rise |
0.000 |
1.973 |
8.104 |
0.000 |
-0.067 |
-0.201 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.091 |
-0.067 |
0.000 |
0.027 |
0.007 |
Twist |
0.000 |
-0.109 |
-0.201 |
0.000 |
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 |
1.087 |
0.000 |
0.000 |
-0.015 |
0.000 |
0.000 |
Slide |
0.000 |
2.972 |
1.086 |
0.000 |
-0.038 |
-0.227 |
Rise |
0.000 |
1.086 |
8.084 |
0.000 |
-0.005 |
-0.137 |
Tilt |
-0.015 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.038 |
-0.005 |
0.000 |
0.021 |
0.011 |
Twist |
0.000 |
-0.227 |
-0.137 |
0.000 |
0.011 |
0.048 |
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 |
0.676 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
2.228 |
1.607 |
0.000 |
-0.046 |
-0.120 |
Rise |
0.000 |
1.607 |
7.754 |
0.000 |
-0.105 |
-0.200 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.046 |
-0.105 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.120 |
-0.200 |
0.000 |
0.007 |
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 |
0.835 |
0.000 |
0.000 |
-0.126 |
0.000 |
0.000 |
Slide |
0.000 |
3.338 |
1.798 |
0.000 |
-0.063 |
-0.107 |
Rise |
0.000 |
1.798 |
8.443 |
0.000 |
-0.048 |
-0.196 |
Tilt |
-0.126 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.048 |
0.000 |
0.026 |
0.005 |
Twist |
0.000 |
-0.107 |
-0.196 |
0.000 |
0.005 |
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 |
0.339 |
0.000 |
0.000 |
-0.014 |
0.000 |
0.000 |
Slide |
0.000 |
4.147 |
0.062 |
0.000 |
0.043 |
-0.261 |
Rise |
0.000 |
0.062 |
6.700 |
0.000 |
0.055 |
-0.071 |
Tilt |
-0.014 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.043 |
0.055 |
0.000 |
0.013 |
0.001 |
Twist |
0.000 |
-0.261 |
-0.071 |
0.000 |
0.001 |
0.073 |
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 |
0.509 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
2.156 |
0.791 |
0.000 |
-0.009 |
-0.135 |
Rise |
0.000 |
0.791 |
6.456 |
0.000 |
0.057 |
-0.200 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
0.057 |
0.000 |
0.013 |
-0.002 |
Twist |
0.000 |
-0.135 |
-0.200 |
0.000 |
-0.002 |
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 |
0.529 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
Slide |
0.000 |
3.069 |
0.545 |
0.000 |
-0.011 |
-0.261 |
Rise |
0.000 |
0.545 |
6.971 |
0.000 |
0.086 |
-0.081 |
Tilt |
0.004 |
0.000 |
0.000 |
0.015 |
0.000 |
0.000 |
Roll |
0.000 |
-0.011 |
0.086 |
0.000 |
0.011 |
0.004 |
Twist |
0.000 |
-0.261 |
-0.081 |
0.000 |
0.004 |
0.054 |
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 |
0.306 |
0.000 |
0.000 |
-0.071 |
0.000 |
0.000 |
Slide |
0.000 |
4.216 |
0.496 |
0.000 |
0.008 |
-0.333 |
Rise |
0.000 |
0.496 |
7.929 |
0.000 |
0.050 |
-0.095 |
Tilt |
-0.071 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
0.050 |
0.000 |
0.019 |
-0.005 |
Twist |
0.000 |
-0.333 |
-0.095 |
0.000 |
-0.005 |
0.070 |
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 |
1.475 |
0.000 |
0.000 |
-0.076 |
0.000 |
0.000 |
Slide |
0.000 |
2.559 |
1.135 |
0.000 |
0.012 |
-0.155 |
Rise |
0.000 |
1.135 |
7.185 |
0.000 |
0.021 |
-0.143 |
Tilt |
-0.076 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
0.021 |
0.000 |
0.016 |
0.010 |
Twist |
0.000 |
-0.155 |
-0.143 |
0.000 |
0.010 |
0.042 |
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 |
0.651 |
0.000 |
0.000 |
-0.024 |
0.000 |
0.000 |
Slide |
0.000 |
2.531 |
1.187 |
0.000 |
-0.030 |
-0.116 |
Rise |
0.000 |
1.187 |
5.938 |
0.000 |
-0.056 |
-0.159 |
Tilt |
-0.024 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.056 |
0.000 |
0.015 |
0.007 |
Twist |
0.000 |
-0.116 |
-0.159 |
0.000 |
0.006 |
0.021 |
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 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
3.645 |
1.182 |
0.000 |
-0.005 |
-0.101 |
Rise |
0.000 |
1.182 |
7.749 |
0.000 |
-0.005 |
-0.105 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
-0.005 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.101 |
-0.105 |
0.000 |
0.007 |
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 |
0.896 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
4.841 |
1.614 |
0.000 |
-0.066 |
-0.162 |
Rise |
0.000 |
1.614 |
8.206 |
0.000 |
-0.039 |
-0.087 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.039 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.162 |
-0.087 |
0.000 |
0.008 |
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 |
0.751 |
0.000 |
0.000 |
-0.072 |
0.000 |
0.000 |
Slide |
0.000 |
2.755 |
1.237 |
0.000 |
-0.054 |
-0.129 |
Rise |
0.000 |
1.237 |
7.362 |
0.000 |
-0.090 |
-0.162 |
Tilt |
-0.072 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.090 |
0.000 |
0.029 |
0.014 |
Twist |
0.000 |
-0.129 |
-0.162 |
0.000 |
0.014 |
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 |
1.844 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
3.725 |
1.751 |
0.000 |
-0.060 |
-0.141 |
Rise |
0.000 |
1.751 |
8.584 |
0.000 |
-0.158 |
-0.171 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.158 |
0.000 |
0.032 |
0.013 |
Twist |
0.000 |
-0.141 |
-0.171 |
0.000 |
0.013 |
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 |
0.803 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
1.689 |
1.182 |
0.000 |
-0.014 |
-0.110 |
Rise |
0.000 |
1.182 |
8.174 |
0.000 |
-0.061 |
-0.136 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
-0.061 |
0.000 |
0.016 |
0.006 |
Twist |
0.000 |
-0.110 |
-0.136 |
0.000 |
0.006 |
0.023 |
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 |
0.755 |
0.000 |
0.000 |
-0.149 |
0.000 |
0.000 |
Slide |
0.000 |
5.408 |
0.780 |
0.000 |
0.016 |
-0.356 |
Rise |
0.000 |
0.780 |
7.691 |
0.000 |
0.067 |
-0.056 |
Tilt |
-0.149 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
0.067 |
0.000 |
0.031 |
-0.007 |
Twist |
0.000 |
-0.356 |
-0.056 |
0.000 |
-0.007 |
0.091 |
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 |
0.000 |
0.000 |
-0.128 |
0.000 |
0.000 |
Slide |
0.000 |
4.691 |
2.363 |
0.000 |
0.114 |
-0.180 |
Rise |
0.000 |
2.363 |
10.463 |
0.000 |
0.236 |
-0.154 |
Tilt |
-0.128 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.114 |
0.236 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.180 |
-0.154 |
0.000 |
0.010 |
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 |
1.085 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
4.378 |
2.919 |
0.000 |
0.090 |
-0.119 |
Rise |
0.000 |
2.919 |
10.662 |
0.000 |
0.191 |
-0.232 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
0.090 |
0.191 |
0.000 |
0.027 |
0.009 |
Twist |
0.000 |
-0.119 |
-0.232 |
0.000 |
0.009 |
0.039 |
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 |
1.156 |
0.000 |
0.000 |
-0.139 |
0.000 |
0.000 |
Slide |
0.000 |
5.243 |
3.410 |
0.000 |
0.079 |
-0.188 |
Rise |
0.000 |
3.410 |
12.220 |
0.000 |
0.192 |
-0.254 |
Tilt |
-0.139 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.079 |
0.192 |
0.000 |
0.028 |
0.006 |
Twist |
0.000 |
-0.188 |
-0.253 |
0.000 |
0.006 |
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 |
1.154 |
0.000 |
0.000 |
-0.135 |
0.000 |
0.000 |
Slide |
0.000 |
5.449 |
2.922 |
0.000 |
0.088 |
-0.246 |
Rise |
0.000 |
2.922 |
10.652 |
0.000 |
0.198 |
-0.213 |
Tilt |
-0.135 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.088 |
0.198 |
0.000 |
0.021 |
0.003 |
Twist |
0.000 |
-0.246 |
-0.213 |
0.000 |
0.003 |
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 |
1.268 |
0.000 |
0.000 |
-0.159 |
0.000 |
0.000 |
Slide |
0.000 |
2.257 |
2.791 |
0.000 |
0.133 |
-0.068 |
Rise |
0.000 |
2.791 |
9.187 |
0.000 |
0.273 |
-0.128 |
Tilt |
-0.159 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.133 |
0.273 |
0.000 |
0.024 |
-0.002 |
Twist |
0.000 |
-0.068 |
-0.128 |
0.000 |
-0.002 |
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 |
0.880 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
3.515 |
3.147 |
0.000 |
0.126 |
-0.050 |
Rise |
0.000 |
3.147 |
9.191 |
0.000 |
0.278 |
-0.151 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.126 |
0.278 |
0.000 |
0.022 |
-0.003 |
Twist |
0.000 |
-0.050 |
-0.151 |
0.000 |
-0.003 |
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 |
1.403 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
2.086 |
2.462 |
0.000 |
0.135 |
0.008 |
Rise |
0.000 |
2.462 |
8.578 |
0.000 |
0.255 |
-0.073 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.135 |
0.255 |
0.000 |
0.020 |
-0.001 |
Twist |
0.000 |
0.008 |
-0.073 |
0.000 |
-0.001 |
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 |
1.437 |
0.000 |
0.000 |
-0.193 |
0.000 |
0.000 |
Slide |
0.000 |
1.897 |
2.788 |
0.000 |
0.129 |
-0.058 |
Rise |
0.000 |
2.788 |
10.113 |
0.000 |
0.233 |
-0.174 |
Tilt |
-0.193 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.129 |
0.233 |
0.000 |
0.030 |
-0.003 |
Twist |
0.000 |
-0.058 |
-0.174 |
0.000 |
-0.003 |
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 |
1.815 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
1.953 |
1.979 |
0.000 |
0.012 |
-0.076 |
Rise |
0.000 |
1.979 |
6.688 |
0.000 |
-0.006 |
-0.172 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.006 |
0.000 |
0.018 |
0.004 |
Twist |
0.000 |
-0.076 |
-0.172 |
0.000 |
0.004 |
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 |
0.912 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
2.092 |
1.832 |
0.000 |
-0.031 |
-0.094 |
Rise |
0.000 |
1.832 |
8.298 |
0.000 |
-0.068 |
-0.209 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
-0.068 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.094 |
-0.209 |
0.000 |
0.009 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.781 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
Slide |
0.000 |
2.056 |
2.193 |
0.000 |
-0.031 |
-0.131 |
Rise |
0.000 |
2.193 |
8.691 |
0.000 |
-0.033 |
-0.146 |
Tilt |
-0.090 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
-0.033 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.131 |
-0.146 |
0.000 |
0.005 |
0.023 |
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 |
0.686 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
3.567 |
0.646 |
0.000 |
-0.008 |
-0.251 |
Rise |
0.000 |
0.646 |
7.406 |
0.000 |
0.046 |
-0.158 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
0.046 |
0.000 |
0.015 |
0.010 |
Twist |
0.000 |
-0.251 |
-0.158 |
0.000 |
0.010 |
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 |
0.994 |
0.000 |
0.000 |
-0.140 |
0.000 |
0.000 |
Slide |
0.000 |
1.892 |
0.503 |
0.000 |
-0.008 |
-0.170 |
Rise |
0.000 |
0.503 |
6.130 |
0.000 |
0.105 |
-0.132 |
Tilt |
-0.140 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
0.105 |
0.000 |
0.012 |
-0.003 |
Twist |
0.000 |
-0.170 |
-0.132 |
0.000 |
-0.003 |
0.040 |
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 |
0.932 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
2.199 |
1.266 |
0.000 |
-0.022 |
-0.122 |
Rise |
0.000 |
1.266 |
8.452 |
0.000 |
-0.081 |
-0.201 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.081 |
0.000 |
0.017 |
0.005 |
Twist |
0.000 |
-0.122 |
-0.201 |
0.000 |
0.005 |
0.022 |
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 |
1.242 |
0.000 |
0.000 |
-0.181 |
0.000 |
0.000 |
Slide |
0.000 |
3.944 |
0.777 |
0.000 |
-0.009 |
-0.261 |
Rise |
0.000 |
0.777 |
8.266 |
0.000 |
0.057 |
-0.088 |
Tilt |
-0.181 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
0.057 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.261 |
-0.088 |
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 |
2.053 |
0.000 |
0.000 |
-0.036 |
0.000 |
0.000 |
Slide |
0.000 |
5.315 |
2.921 |
0.000 |
-0.009 |
-0.197 |
Rise |
0.000 |
2.921 |
10.504 |
0.000 |
0.013 |
-0.224 |
Tilt |
-0.036 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
0.013 |
0.000 |
0.034 |
0.006 |
Twist |
0.000 |
-0.197 |
-0.224 |
0.000 |
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 |
0.950 |
0.000 |
0.000 |
-0.017 |
0.000 |
0.000 |
Slide |
0.000 |
3.945 |
3.319 |
0.000 |
0.005 |
-0.126 |
Rise |
0.000 |
3.319 |
10.969 |
0.000 |
0.080 |
-0.208 |
Tilt |
-0.017 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
0.080 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.126 |
-0.208 |
0.000 |
0.008 |
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 |
0.946 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
3.832 |
2.348 |
0.000 |
-0.027 |
-0.122 |
Rise |
0.000 |
2.348 |
9.192 |
0.000 |
-0.036 |
-0.193 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.027 |
-0.036 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.122 |
-0.193 |
0.000 |
0.010 |
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 |
1.352 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
4.573 |
2.636 |
0.000 |
-0.043 |
-0.113 |
Rise |
0.000 |
2.636 |
10.531 |
0.000 |
-0.020 |
-0.237 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.020 |
0.000 |
0.026 |
0.010 |
Twist |
0.000 |
-0.113 |
-0.237 |
0.000 |
0.010 |
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 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
3.182 |
2.020 |
0.000 |
-0.015 |
-0.161 |
Rise |
0.000 |
2.020 |
9.859 |
0.000 |
-0.003 |
-0.233 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
-0.003 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.161 |
-0.233 |
0.000 |
0.006 |
0.040 |
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 |
0.736 |
0.000 |
0.000 |
-0.005 |
0.000 |
0.000 |
Slide |
0.000 |
4.528 |
2.116 |
0.000 |
-0.046 |
-0.145 |
Rise |
0.000 |
2.116 |
10.159 |
0.000 |
-0.034 |
-0.255 |
Tilt |
-0.005 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.046 |
-0.034 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.145 |
-0.255 |
0.000 |
0.010 |
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 |
0.915 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
4.033 |
3.079 |
0.000 |
-0.034 |
-0.093 |
Rise |
0.000 |
3.079 |
9.950 |
0.000 |
0.029 |
-0.219 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
0.029 |
0.000 |
0.025 |
0.010 |
Twist |
0.000 |
-0.092 |
-0.219 |
0.000 |
0.010 |
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 |
0.634 |
0.000 |
0.000 |
-0.011 |
0.000 |
0.000 |
Slide |
0.000 |
1.750 |
0.900 |
0.000 |
0.026 |
-0.069 |
Rise |
0.000 |
0.900 |
7.088 |
0.000 |
-0.118 |
-0.194 |
Tilt |
-0.011 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
-0.118 |
0.000 |
0.018 |
0.013 |
Twist |
0.000 |
-0.069 |
-0.194 |
0.000 |
0.013 |
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 |
0.509 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
2.369 |
0.561 |
0.000 |
0.014 |
-0.091 |
Rise |
0.000 |
0.561 |
7.703 |
0.000 |
-0.137 |
-0.217 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.137 |
0.000 |
0.020 |
0.014 |
Twist |
0.000 |
-0.091 |
-0.217 |
0.000 |
0.014 |
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 |
0.487 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
2.365 |
1.080 |
0.000 |
0.028 |
-0.120 |
Rise |
0.000 |
1.080 |
6.992 |
0.000 |
-0.078 |
-0.169 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.028 |
-0.078 |
0.000 |
0.017 |
0.009 |
Twist |
0.000 |
-0.120 |
-0.169 |
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 |
0.665 |
0.000 |
0.000 |
-0.044 |
0.000 |
0.000 |
Slide |
0.000 |
1.802 |
1.074 |
0.000 |
0.025 |
-0.124 |
Rise |
0.000 |
1.074 |
6.433 |
0.000 |
-0.031 |
-0.174 |
Tilt |
-0.044 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
0.025 |
-0.031 |
0.000 |
0.015 |
0.007 |
Twist |
0.000 |
-0.124 |
-0.174 |
0.000 |
0.007 |
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 |
0.615 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
2.166 |
1.043 |
0.000 |
0.012 |
-0.085 |
Rise |
0.000 |
1.043 |
7.045 |
0.000 |
-0.096 |
-0.168 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.096 |
0.000 |
0.019 |
0.010 |
Twist |
0.000 |
-0.085 |
-0.168 |
0.000 |
0.010 |
0.024 |
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 |
0.703 |
0.000 |
0.000 |
-0.005 |
0.000 |
0.000 |
Slide |
0.000 |
2.720 |
0.620 |
0.000 |
0.012 |
-0.062 |
Rise |
0.000 |
0.620 |
7.544 |
0.000 |
-0.155 |
-0.211 |
Tilt |
-0.005 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.155 |
0.000 |
0.019 |
0.012 |
Twist |
0.000 |
-0.062 |
-0.211 |
0.000 |
0.012 |
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 |
0.606 |
0.000 |
0.000 |
-0.017 |
0.000 |
0.000 |
Slide |
0.000 |
2.007 |
0.814 |
0.000 |
0.023 |
-0.088 |
Rise |
0.000 |
0.814 |
7.823 |
0.000 |
-0.153 |
-0.205 |
Tilt |
-0.017 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
-0.153 |
0.000 |
0.023 |
0.015 |
Twist |
0.000 |
-0.088 |
-0.205 |
0.000 |
0.015 |
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 |
0.822 |
0.000 |
0.000 |
-0.041 |
0.000 |
0.000 |
Slide |
0.000 |
1.950 |
1.481 |
0.000 |
-0.006 |
-0.140 |
Rise |
0.000 |
1.481 |
5.805 |
0.000 |
-0.044 |
-0.194 |
Tilt |
-0.041 |
0.000 |
0.000 |
0.021 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.044 |
0.000 |
0.015 |
0.008 |
Twist |
0.000 |
-0.140 |
-0.194 |
0.000 |
0.008 |
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 |
0.723 |
0.000 |
0.000 |
-0.102 |
0.000 |
0.000 |
Slide |
0.000 |
4.423 |
1.389 |
0.000 |
-0.054 |
-0.155 |
Rise |
0.000 |
1.389 |
7.549 |
0.000 |
-0.022 |
-0.084 |
Tilt |
-0.102 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.022 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.155 |
-0.084 |
0.000 |
0.011 |
0.042 |
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 |
1.061 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
3.439 |
1.107 |
0.000 |
-0.001 |
-0.107 |
Rise |
0.000 |
1.107 |
8.207 |
0.000 |
0.005 |
-0.086 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
0.005 |
0.000 |
0.018 |
0.006 |
Twist |
0.000 |
-0.107 |
-0.086 |
0.000 |
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 |
0.373 |
0.000 |
0.000 |
-0.022 |
0.000 |
0.000 |
Slide |
0.000 |
2.707 |
0.972 |
0.000 |
-0.039 |
-0.136 |
Rise |
0.000 |
0.971 |
3.778 |
0.000 |
0.052 |
-0.045 |
Tilt |
-0.022 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
0.052 |
0.000 |
0.008 |
0.000 |
Twist |
0.000 |
-0.136 |
-0.045 |
0.000 |
0.000 |
0.010 |
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 |
0.894 |
0.000 |
0.000 |
-0.172 |
0.000 |
0.000 |
Slide |
0.000 |
5.672 |
0.566 |
0.000 |
-0.019 |
-0.317 |
Rise |
0.000 |
0.566 |
8.918 |
0.000 |
0.111 |
-0.027 |
Tilt |
-0.172 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
0.111 |
0.000 |
0.033 |
-0.004 |
Twist |
0.000 |
-0.317 |
-0.027 |
0.000 |
-0.004 |
0.091 |
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 |
0.840 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
1.841 |
1.558 |
0.000 |
-0.044 |
-0.131 |
Rise |
0.000 |
1.558 |
8.278 |
0.000 |
-0.095 |
-0.182 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.095 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.131 |
-0.183 |
0.000 |
0.012 |
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 |
1.556 |
0.000 |
0.000 |
-0.032 |
0.000 |
0.000 |
Slide |
0.000 |
2.873 |
1.775 |
0.000 |
-0.048 |
-0.089 |
Rise |
0.000 |
1.775 |
8.544 |
0.000 |
-0.145 |
-0.162 |
Tilt |
-0.032 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.048 |
-0.145 |
0.000 |
0.026 |
0.009 |
Twist |
0.000 |
-0.089 |
-0.162 |
0.000 |
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 |
0.772 |
0.000 |
0.000 |
-0.113 |
0.000 |
0.000 |
Slide |
0.000 |
3.155 |
1.732 |
0.000 |
-0.051 |
-0.074 |
Rise |
0.000 |
1.732 |
8.372 |
0.000 |
-0.083 |
-0.130 |
Tilt |
-0.113 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.083 |
0.000 |
0.030 |
0.012 |
Twist |
0.000 |
-0.074 |
-0.130 |
0.000 |
0.012 |
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 |
1.235 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
Slide |
0.000 |
2.428 |
1.730 |
0.000 |
-0.031 |
-0.148 |
Rise |
0.000 |
1.730 |
7.818 |
0.000 |
-0.051 |
-0.155 |
Tilt |
-0.073 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
-0.051 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.148 |
-0.155 |
0.000 |
0.011 |
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 |
1.121 |
0.000 |
0.000 |
-0.102 |
0.000 |
0.000 |
Slide |
0.000 |
2.225 |
1.763 |
0.000 |
0.021 |
-0.104 |
Rise |
0.000 |
1.763 |
5.019 |
0.000 |
-0.060 |
-0.166 |
Tilt |
-0.102 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.060 |
0.000 |
0.018 |
-0.003 |
Twist |
0.000 |
-0.104 |
-0.166 |
0.000 |
-0.003 |
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 |
0.891 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
2.796 |
-0.171 |
0.000 |
0.032 |
-0.203 |
Rise |
0.000 |
-0.171 |
8.527 |
0.000 |
-0.057 |
-0.146 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.032 |
-0.057 |
0.000 |
0.017 |
0.001 |
Twist |
0.000 |
-0.203 |
-0.146 |
0.000 |
0.001 |
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 |
0.573 |
0.000 |
0.000 |
-0.083 |
0.000 |
0.000 |
Slide |
0.000 |
2.922 |
0.344 |
0.000 |
0.018 |
-0.116 |
Rise |
0.000 |
0.344 |
8.778 |
0.000 |
-0.143 |
-0.247 |
Tilt |
-0.083 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
-0.143 |
0.000 |
0.023 |
0.011 |
Twist |
0.000 |
-0.116 |
-0.247 |
0.000 |
0.011 |
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 |
0.780 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
3.623 |
0.477 |
0.000 |
0.007 |
-0.193 |
Rise |
0.000 |
0.477 |
8.357 |
0.000 |
-0.046 |
-0.186 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.046 |
0.000 |
0.018 |
0.010 |
Twist |
0.000 |
-0.193 |
-0.186 |
0.000 |
0.010 |
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 |
1.003 |
0.000 |
0.000 |
-0.060 |
0.000 |
0.000 |
Slide |
0.000 |
2.515 |
1.350 |
0.000 |
-0.014 |
-0.104 |
Rise |
0.000 |
1.350 |
6.953 |
0.000 |
-0.123 |
-0.225 |
Tilt |
-0.060 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
-0.123 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.104 |
-0.225 |
0.000 |
0.009 |
0.024 |
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 |
0.576 |
0.000 |
0.000 |
-0.037 |
0.000 |
0.000 |
Slide |
0.000 |
2.297 |
0.745 |
0.000 |
0.047 |
-0.058 |
Rise |
0.000 |
0.745 |
8.030 |
0.000 |
-0.154 |
-0.205 |
Tilt |
-0.037 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
0.047 |
-0.154 |
0.000 |
0.020 |
0.010 |
Twist |
0.000 |
-0.058 |
-0.205 |
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 |
0.780 |
0.000 |
0.000 |
-0.087 |
0.000 |
0.000 |
Slide |
0.000 |
2.540 |
1.219 |
0.000 |
0.030 |
-0.133 |
Rise |
0.000 |
1.219 |
5.017 |
0.000 |
0.071 |
-0.147 |
Tilt |
-0.087 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.030 |
0.071 |
0.000 |
0.011 |
0.002 |
Twist |
0.000 |
-0.133 |
-0.147 |
0.000 |
0.002 |
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 |
0.722 |
0.000 |
0.000 |
-0.030 |
0.000 |
0.000 |
Slide |
0.000 |
2.665 |
0.644 |
0.000 |
-0.005 |
-0.132 |
Rise |
0.000 |
0.644 |
8.466 |
0.000 |
-0.137 |
-0.207 |
Tilt |
-0.030 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
-0.137 |
0.000 |
0.026 |
0.012 |
Twist |
0.000 |
-0.132 |
-0.207 |
0.000 |
0.012 |
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 |
0.744 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
2.537 |
1.248 |
0.000 |
0.003 |
-0.093 |
Rise |
0.000 |
1.248 |
7.477 |
0.000 |
-0.098 |
-0.199 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.098 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.093 |
-0.199 |
0.000 |
0.009 |
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 |
0.827 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
2.538 |
0.747 |
0.000 |
0.011 |
-0.194 |
Rise |
0.000 |
0.747 |
7.071 |
0.000 |
-0.023 |
-0.185 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.019 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.023 |
0.000 |
0.014 |
0.003 |
Twist |
0.000 |
-0.194 |
-0.185 |
0.000 |
0.003 |
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 |
0.919 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Slide |
0.000 |
4.700 |
0.261 |
0.000 |
-0.019 |
-0.280 |
Rise |
0.000 |
0.261 |
8.078 |
0.000 |
-0.145 |
-0.072 |
Tilt |
0.022 |
0.000 |
0.000 |
0.012 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
-0.145 |
0.000 |
0.024 |
0.004 |
Twist |
0.000 |
-0.280 |
-0.072 |
0.000 |
0.004 |
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 |
1.081 |
0.000 |
0.000 |
-0.132 |
0.000 |
0.000 |
Slide |
0.000 |
4.469 |
0.261 |
0.000 |
-0.008 |
-0.247 |
Rise |
0.000 |
0.261 |
7.793 |
0.000 |
-0.037 |
-0.136 |
Tilt |
-0.132 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
-0.037 |
0.000 |
0.015 |
0.009 |
Twist |
0.000 |
-0.247 |
-0.136 |
0.000 |
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 |
1.117 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
3.246 |
0.998 |
0.000 |
-0.015 |
-0.042 |
Rise |
0.000 |
0.998 |
6.276 |
0.000 |
-0.140 |
-0.193 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
-0.140 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.042 |
-0.193 |
0.000 |
0.007 |
0.018 |
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 |
0.873 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
2.307 |
1.312 |
0.000 |
-0.017 |
-0.158 |
Rise |
0.000 |
1.312 |
7.607 |
0.000 |
-0.079 |
-0.207 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.017 |
-0.079 |
0.000 |
0.017 |
0.010 |
Twist |
0.000 |
-0.158 |
-0.207 |
0.000 |
0.010 |
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 |
1.175 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
3.810 |
0.624 |
0.000 |
-0.051 |
-0.203 |
Rise |
0.000 |
0.624 |
8.485 |
0.000 |
-0.074 |
-0.184 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.074 |
0.000 |
0.026 |
0.009 |
Twist |
0.000 |
-0.203 |
-0.184 |
0.000 |
0.009 |
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 |
1.566 |
0.000 |
0.000 |
-0.022 |
0.000 |
0.000 |
Slide |
0.000 |
3.367 |
1.260 |
0.000 |
-0.145 |
-0.076 |
Rise |
0.000 |
1.260 |
7.989 |
0.000 |
-0.111 |
-0.174 |
Tilt |
-0.022 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.145 |
-0.111 |
0.000 |
0.033 |
0.013 |
Twist |
0.000 |
-0.076 |
-0.174 |
0.000 |
0.013 |
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 |
1.449 |
0.000 |
0.000 |
0.050 |
0.000 |
0.000 |
Slide |
0.000 |
3.220 |
0.268 |
0.000 |
-0.073 |
-0.182 |
Rise |
0.000 |
0.268 |
7.820 |
0.000 |
-0.002 |
-0.088 |
Tilt |
0.050 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.073 |
-0.002 |
0.000 |
0.022 |
0.017 |
Twist |
0.000 |
-0.182 |
-0.088 |
0.000 |
0.017 |
0.042 |
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 |
1.253 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
3.723 |
1.690 |
0.000 |
0.085 |
-0.156 |
Rise |
0.000 |
1.690 |
6.332 |
0.000 |
0.095 |
-0.156 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.085 |
0.095 |
0.000 |
0.013 |
-0.007 |
Twist |
0.000 |
-0.156 |
-0.156 |
0.000 |
-0.007 |
0.040 |
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 |
1.781 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Slide |
0.000 |
2.588 |
1.086 |
0.000 |
-0.003 |
-0.243 |
Rise |
0.000 |
1.086 |
6.137 |
0.000 |
-0.003 |
-0.157 |
Tilt |
0.001 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
-0.003 |
0.000 |
0.021 |
0.007 |
Twist |
0.000 |
-0.243 |
-0.157 |
0.000 |
0.007 |
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 |
1.263 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.884 |
0.970 |
0.000 |
-0.044 |
-0.233 |
Rise |
0.000 |
0.970 |
8.643 |
0.000 |
-0.017 |
-0.174 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.017 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.233 |
-0.174 |
0.000 |
0.007 |
0.048 |
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 |
1.409 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
5.483 |
1.226 |
0.000 |
-0.012 |
-0.376 |
Rise |
0.000 |
1.226 |
6.115 |
0.000 |
0.069 |
-0.111 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.012 |
0.069 |
0.000 |
0.015 |
0.004 |
Twist |
0.000 |
-0.376 |
-0.111 |
0.000 |
0.004 |
0.072 |
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 |
1.117 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
2.765 |
0.689 |
0.000 |
-0.045 |
-0.295 |
Rise |
0.000 |
0.689 |
6.642 |
0.000 |
0.076 |
-0.152 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
0.076 |
0.000 |
0.020 |
0.012 |
Twist |
0.000 |
-0.295 |
-0.152 |
0.000 |
0.012 |
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 |
1.748 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
4.430 |
2.044 |
0.000 |
-0.186 |
-0.207 |
Rise |
0.000 |
2.044 |
8.701 |
0.000 |
-0.173 |
-0.181 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.186 |
-0.173 |
0.000 |
0.032 |
0.011 |
Twist |
0.000 |
-0.207 |
-0.181 |
0.000 |
0.011 |
0.042 |
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 |
0.862 |
0.000 |
0.000 |
-0.068 |
0.000 |
0.000 |
Slide |
0.000 |
2.764 |
-0.025 |
0.000 |
-0.018 |
-0.238 |
Rise |
0.000 |
-0.025 |
9.748 |
0.000 |
-0.022 |
-0.137 |
Tilt |
-0.068 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.018 |
-0.022 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.238 |
-0.137 |
0.000 |
0.009 |
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 |
1.321 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.732 |
1.747 |
0.000 |
-0.118 |
-0.138 |
Rise |
0.000 |
1.747 |
8.640 |
0.000 |
-0.057 |
-0.209 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.118 |
-0.057 |
0.000 |
0.021 |
0.011 |
Twist |
0.000 |
-0.138 |
-0.209 |
0.000 |
0.011 |
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 |
1.075 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.387 |
1.095 |
0.000 |
-0.090 |
-0.159 |
Rise |
0.000 |
1.095 |
8.842 |
0.000 |
-0.103 |
-0.196 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.090 |
-0.103 |
0.000 |
0.023 |
0.011 |
Twist |
0.000 |
-0.159 |
-0.196 |
0.000 |
0.011 |
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)