| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.779 |
0.000 |
0.000 |
-0.076 |
0.000 |
0.000 |
Slide |
0.000 |
2.228 |
0.848 |
0.000 |
-0.049 |
-0.147 |
Rise |
0.000 |
0.848 |
9.151 |
0.000 |
0.001 |
-0.148 |
Tilt |
-0.076 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
0.001 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.147 |
-0.148 |
0.000 |
0.010 |
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 |
0.947 |
0.000 |
0.000 |
-0.101 |
0.000 |
0.000 |
Slide |
0.000 |
2.669 |
1.249 |
0.000 |
-0.034 |
-0.199 |
Rise |
0.000 |
1.249 |
8.547 |
0.000 |
0.015 |
-0.183 |
Tilt |
-0.101 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
0.015 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.199 |
-0.183 |
0.000 |
0.008 |
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 |
1.255 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
3.694 |
2.995 |
0.000 |
-0.004 |
-0.127 |
Rise |
0.000 |
2.995 |
10.525 |
0.000 |
0.029 |
-0.243 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
0.029 |
0.000 |
0.026 |
0.011 |
Twist |
0.000 |
-0.127 |
-0.243 |
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 |
0.879 |
0.000 |
0.000 |
-0.041 |
0.000 |
0.000 |
Slide |
0.000 |
3.057 |
2.498 |
0.000 |
0.043 |
-0.118 |
Rise |
0.000 |
2.498 |
10.471 |
0.000 |
0.123 |
-0.170 |
Tilt |
-0.041 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.043 |
0.123 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.118 |
-0.170 |
0.000 |
0.008 |
0.049 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.512 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
Slide |
0.000 |
3.315 |
1.866 |
0.000 |
-0.078 |
-0.219 |
Rise |
0.000 |
1.866 |
7.216 |
0.000 |
-0.033 |
-0.168 |
Tilt |
-0.093 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.078 |
-0.033 |
0.000 |
0.026 |
0.006 |
Twist |
0.000 |
-0.219 |
-0.168 |
0.000 |
0.006 |
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 |
0.812 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
2.432 |
1.920 |
0.000 |
-0.068 |
-0.162 |
Rise |
0.000 |
1.920 |
7.810 |
0.000 |
0.009 |
-0.156 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.068 |
0.009 |
0.000 |
0.020 |
0.003 |
Twist |
0.000 |
-0.162 |
-0.156 |
0.000 |
0.003 |
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 |
2.216 |
0.000 |
0.000 |
-0.014 |
0.000 |
0.000 |
Slide |
0.000 |
5.416 |
3.146 |
0.000 |
-0.031 |
-0.156 |
Rise |
0.000 |
3.146 |
10.572 |
0.000 |
0.056 |
-0.177 |
Tilt |
-0.014 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
0.056 |
0.000 |
0.035 |
0.008 |
Twist |
0.000 |
-0.156 |
-0.177 |
0.000 |
0.008 |
0.060 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.414 |
0.000 |
0.000 |
-0.020 |
0.000 |
0.000 |
Slide |
0.000 |
6.209 |
3.108 |
0.000 |
-0.048 |
-0.234 |
Rise |
0.000 |
3.108 |
11.056 |
0.000 |
0.046 |
-0.164 |
Tilt |
-0.020 |
0.000 |
0.000 |
0.049 |
0.000 |
0.000 |
Roll |
0.000 |
-0.048 |
0.046 |
0.000 |
0.035 |
0.008 |
Twist |
0.000 |
-0.234 |
-0.164 |
0.000 |
0.008 |
0.074 |
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 |
0.779 |
0.000 |
0.000 |
-0.030 |
0.000 |
0.000 |
Slide |
0.000 |
3.148 |
0.899 |
0.000 |
0.014 |
-0.110 |
Rise |
0.000 |
0.899 |
7.750 |
0.000 |
-0.106 |
-0.251 |
Tilt |
-0.030 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.106 |
0.000 |
0.021 |
0.012 |
Twist |
0.000 |
-0.110 |
-0.251 |
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 |
1.778 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
2.125 |
1.909 |
0.000 |
-0.013 |
-0.138 |
Rise |
0.000 |
1.909 |
7.498 |
0.000 |
-0.007 |
-0.160 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.013 |
-0.007 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.138 |
-0.160 |
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 |
0.950 |
0.000 |
0.000 |
-0.131 |
0.000 |
0.000 |
Slide |
0.000 |
2.417 |
1.163 |
0.000 |
0.014 |
-0.094 |
Rise |
0.000 |
1.163 |
8.319 |
0.000 |
-0.095 |
-0.260 |
Tilt |
-0.131 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.095 |
0.000 |
0.017 |
0.006 |
Twist |
0.000 |
-0.094 |
-0.260 |
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 |
0.966 |
0.000 |
0.000 |
-0.130 |
0.000 |
0.000 |
Slide |
0.000 |
2.139 |
1.733 |
0.000 |
0.001 |
-0.099 |
Rise |
0.000 |
1.733 |
6.632 |
0.000 |
-0.061 |
-0.234 |
Tilt |
-0.130 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.061 |
0.000 |
0.014 |
0.005 |
Twist |
0.000 |
-0.099 |
-0.234 |
0.000 |
0.005 |
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 |
1.025 |
0.000 |
0.000 |
-0.120 |
0.000 |
0.000 |
Slide |
0.000 |
2.985 |
0.700 |
0.000 |
0.001 |
-0.145 |
Rise |
0.000 |
0.700 |
8.787 |
0.000 |
-0.103 |
-0.264 |
Tilt |
-0.120 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.103 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.145 |
-0.264 |
0.000 |
0.008 |
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 |
1.060 |
0.000 |
0.000 |
-0.130 |
0.000 |
0.000 |
Slide |
0.000 |
2.969 |
0.696 |
0.000 |
0.006 |
-0.144 |
Rise |
0.000 |
0.696 |
8.431 |
0.000 |
-0.090 |
-0.260 |
Tilt |
-0.130 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.090 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.144 |
-0.260 |
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 |
0.849 |
0.000 |
0.000 |
-0.068 |
0.000 |
0.000 |
Slide |
0.000 |
2.256 |
2.008 |
0.000 |
-0.064 |
-0.149 |
Rise |
0.000 |
2.008 |
8.203 |
0.000 |
-0.001 |
-0.185 |
Tilt |
-0.068 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.064 |
-0.001 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.149 |
-0.185 |
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 |
1.265 |
0.000 |
0.000 |
-0.040 |
0.000 |
0.000 |
Slide |
0.000 |
3.397 |
1.740 |
0.000 |
-0.056 |
-0.149 |
Rise |
0.000 |
1.740 |
6.870 |
0.000 |
-0.019 |
-0.135 |
Tilt |
-0.040 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
-0.019 |
0.000 |
0.022 |
-0.001 |
Twist |
0.000 |
-0.149 |
-0.135 |
0.000 |
-0.001 |
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 |
0.965 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
1.960 |
1.099 |
0.000 |
-0.043 |
-0.114 |
Rise |
0.000 |
1.099 |
8.373 |
0.000 |
-0.034 |
-0.155 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.034 |
0.000 |
0.026 |
0.013 |
Twist |
0.000 |
-0.114 |
-0.155 |
0.000 |
0.013 |
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 |
0.840 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
1.996 |
1.501 |
0.000 |
-0.026 |
-0.110 |
Rise |
0.000 |
1.501 |
8.099 |
0.000 |
-0.041 |
-0.157 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
-0.041 |
0.000 |
0.026 |
0.010 |
Twist |
0.000 |
-0.110 |
-0.157 |
0.000 |
0.010 |
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 |
1.048 |
0.000 |
0.000 |
-0.120 |
0.000 |
0.000 |
Slide |
0.000 |
3.094 |
2.475 |
0.000 |
0.081 |
-0.094 |
Rise |
0.000 |
2.475 |
11.736 |
0.000 |
0.148 |
-0.251 |
Tilt |
-0.120 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.081 |
0.148 |
0.000 |
0.025 |
0.004 |
Twist |
0.000 |
-0.094 |
-0.251 |
0.000 |
0.004 |
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 |
1.297 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
3.146 |
3.063 |
0.000 |
0.054 |
-0.089 |
Rise |
0.000 |
3.063 |
11.868 |
0.000 |
0.145 |
-0.220 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.054 |
0.145 |
0.000 |
0.027 |
0.004 |
Twist |
0.000 |
-0.089 |
-0.220 |
0.000 |
0.004 |
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 |
1.149 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
3.061 |
2.204 |
0.000 |
0.069 |
-0.089 |
Rise |
0.000 |
2.204 |
10.827 |
0.000 |
0.125 |
-0.219 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.069 |
0.125 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.089 |
-0.219 |
0.000 |
0.007 |
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 |
1.402 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
3.314 |
3.373 |
0.000 |
0.059 |
-0.080 |
Rise |
0.000 |
3.373 |
12.539 |
0.000 |
0.149 |
-0.206 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.059 |
0.149 |
0.000 |
0.026 |
0.005 |
Twist |
0.000 |
-0.080 |
-0.206 |
0.000 |
0.005 |
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 |
1.778 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
2.150 |
1.755 |
0.000 |
-0.026 |
-0.131 |
Rise |
0.000 |
1.756 |
7.382 |
0.000 |
0.001 |
-0.163 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
0.001 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.131 |
-0.163 |
0.000 |
0.007 |
0.035 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.843 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
3.369 |
2.573 |
0.000 |
0.039 |
-0.123 |
Rise |
0.000 |
2.573 |
10.421 |
0.000 |
0.121 |
-0.157 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.039 |
0.121 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.123 |
-0.157 |
0.000 |
0.010 |
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 |
1.331 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
3.603 |
2.850 |
0.000 |
0.018 |
-0.111 |
Rise |
0.000 |
2.850 |
10.695 |
0.000 |
0.044 |
-0.225 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
0.044 |
0.000 |
0.026 |
0.011 |
Twist |
0.000 |
-0.111 |
-0.225 |
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 |
0.390 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
2.246 |
1.145 |
0.000 |
-0.006 |
-0.135 |
Rise |
0.000 |
1.145 |
8.044 |
0.000 |
-0.106 |
-0.226 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.106 |
0.000 |
0.017 |
0.012 |
Twist |
0.000 |
-0.135 |
-0.226 |
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 |
0.344 |
0.000 |
0.000 |
-0.027 |
0.000 |
0.000 |
Slide |
0.000 |
2.661 |
0.928 |
0.000 |
0.013 |
-0.164 |
Rise |
0.000 |
0.928 |
8.308 |
0.000 |
-0.093 |
-0.221 |
Tilt |
-0.027 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.093 |
0.000 |
0.016 |
0.012 |
Twist |
0.000 |
-0.164 |
-0.221 |
0.000 |
0.012 |
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 |
0.418 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
2.431 |
0.975 |
0.000 |
0.001 |
-0.154 |
Rise |
0.000 |
0.974 |
8.019 |
0.000 |
-0.090 |
-0.218 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.090 |
0.000 |
0.016 |
0.012 |
Twist |
0.000 |
-0.154 |
-0.218 |
0.000 |
0.012 |
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 |
0.983 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
1.891 |
0.807 |
0.000 |
-0.040 |
-0.117 |
Rise |
0.000 |
0.807 |
8.578 |
0.000 |
-0.022 |
-0.164 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.022 |
0.000 |
0.023 |
0.013 |
Twist |
0.000 |
-0.117 |
-0.164 |
0.000 |
0.013 |
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 |
0.866 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
2.024 |
1.697 |
0.000 |
-0.034 |
-0.121 |
Rise |
0.000 |
1.697 |
8.158 |
0.000 |
-0.059 |
-0.201 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
-0.059 |
0.000 |
0.027 |
0.013 |
Twist |
0.000 |
-0.121 |
-0.201 |
0.000 |
0.013 |
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 |
0.849 |
0.000 |
0.000 |
-0.032 |
0.000 |
0.000 |
Slide |
0.000 |
2.992 |
0.953 |
0.000 |
0.007 |
-0.116 |
Rise |
0.000 |
0.953 |
7.571 |
0.000 |
-0.120 |
-0.245 |
Tilt |
-0.032 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.120 |
0.000 |
0.022 |
0.013 |
Twist |
0.000 |
-0.116 |
-0.245 |
0.000 |
0.013 |
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 |
0.823 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
2.403 |
0.982 |
0.000 |
-0.041 |
-0.137 |
Rise |
0.000 |
0.982 |
8.880 |
0.000 |
-0.017 |
-0.168 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.041 |
-0.017 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.137 |
-0.168 |
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 |
0.931 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
3.053 |
1.202 |
0.000 |
-0.033 |
-0.228 |
Rise |
0.000 |
1.202 |
8.960 |
0.000 |
0.008 |
-0.171 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
0.008 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.228 |
-0.171 |
0.000 |
0.006 |
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)