| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.860 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
2.706 |
0.750 |
0.000 |
-0.063 |
-0.162 |
Rise |
0.000 |
0.750 |
9.663 |
0.000 |
-0.020 |
-0.156 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.020 |
0.000 |
0.022 |
0.012 |
Twist |
0.000 |
-0.162 |
-0.156 |
0.000 |
0.012 |
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 |
1.255 |
0.000 |
0.000 |
-0.010 |
0.000 |
0.000 |
Slide |
0.000 |
2.673 |
0.750 |
0.000 |
-0.081 |
-0.111 |
Rise |
0.000 |
0.750 |
9.369 |
0.000 |
-0.059 |
-0.164 |
Tilt |
-0.010 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.081 |
-0.059 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.111 |
-0.164 |
0.000 |
0.008 |
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 |
1.089 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
3.962 |
3.352 |
0.000 |
0.012 |
-0.082 |
Rise |
0.000 |
3.352 |
11.053 |
0.000 |
0.061 |
-0.241 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
0.061 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.082 |
-0.241 |
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 |
1.183 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.537 |
1.636 |
0.000 |
-0.049 |
-0.137 |
Rise |
0.000 |
1.636 |
7.645 |
0.000 |
-0.021 |
-0.180 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.021 |
0.000 |
0.022 |
0.004 |
Twist |
0.000 |
-0.137 |
-0.180 |
0.000 |
0.004 |
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 |
1.799 |
0.000 |
0.000 |
-0.015 |
0.000 |
0.000 |
Slide |
0.000 |
5.008 |
2.578 |
0.000 |
-0.040 |
-0.112 |
Rise |
0.000 |
2.578 |
9.879 |
0.000 |
0.026 |
-0.192 |
Tilt |
-0.015 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
0.026 |
0.000 |
0.032 |
0.010 |
Twist |
0.000 |
-0.112 |
-0.192 |
0.000 |
0.010 |
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 |
0.739 |
0.000 |
0.000 |
-0.060 |
0.000 |
0.000 |
Slide |
0.000 |
2.865 |
0.846 |
0.000 |
-0.004 |
-0.139 |
Rise |
0.000 |
0.846 |
8.136 |
0.000 |
-0.106 |
-0.213 |
Tilt |
-0.060 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.106 |
0.000 |
0.019 |
0.010 |
Twist |
0.000 |
-0.139 |
-0.213 |
0.000 |
0.010 |
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 |
0.884 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
1.683 |
1.754 |
0.000 |
-0.009 |
-0.085 |
Rise |
0.000 |
1.754 |
8.570 |
0.000 |
-0.025 |
-0.174 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
-0.025 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.085 |
-0.174 |
0.000 |
0.007 |
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 |
1.037 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
1.631 |
1.783 |
0.000 |
0.016 |
-0.077 |
Rise |
0.000 |
1.783 |
8.212 |
0.000 |
-0.057 |
-0.193 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
-0.057 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.077 |
-0.193 |
0.000 |
0.006 |
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 |
0.901 |
0.000 |
0.000 |
-0.131 |
0.000 |
0.000 |
Slide |
0.000 |
2.142 |
1.673 |
0.000 |
-0.028 |
-0.112 |
Rise |
0.000 |
1.673 |
9.524 |
0.000 |
-0.017 |
-0.207 |
Tilt |
-0.131 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.028 |
-0.017 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.112 |
-0.207 |
0.000 |
0.008 |
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 |
1.027 |
0.000 |
0.000 |
-0.131 |
0.000 |
0.000 |
Slide |
0.000 |
2.429 |
0.880 |
0.000 |
0.012 |
-0.081 |
Rise |
0.000 |
0.880 |
7.106 |
0.000 |
-0.075 |
-0.221 |
Tilt |
-0.131 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.075 |
0.000 |
0.015 |
0.005 |
Twist |
0.000 |
-0.081 |
-0.221 |
0.000 |
0.005 |
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 |
0.946 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
2.943 |
0.850 |
0.000 |
-0.002 |
-0.139 |
Rise |
0.000 |
0.850 |
8.470 |
0.000 |
-0.085 |
-0.241 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
-0.085 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.139 |
-0.241 |
0.000 |
0.006 |
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 |
0.844 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
1.914 |
1.457 |
0.000 |
-0.055 |
-0.105 |
Rise |
0.000 |
1.457 |
7.898 |
0.000 |
-0.065 |
-0.176 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.065 |
0.000 |
0.025 |
0.012 |
Twist |
0.000 |
-0.105 |
-0.176 |
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 |
1.716 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
Slide |
0.000 |
1.970 |
1.643 |
0.000 |
0.007 |
-0.092 |
Rise |
0.000 |
1.643 |
7.184 |
0.000 |
-0.032 |
-0.122 |
Tilt |
-0.090 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.032 |
0.000 |
0.022 |
0.004 |
Twist |
0.000 |
-0.092 |
-0.122 |
0.000 |
0.004 |
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 |
1.158 |
0.000 |
0.000 |
-0.026 |
0.000 |
0.000 |
Slide |
0.000 |
3.616 |
2.795 |
0.000 |
0.038 |
-0.084 |
Rise |
0.000 |
2.795 |
11.056 |
0.000 |
0.080 |
-0.200 |
Tilt |
-0.026 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.038 |
0.080 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.084 |
-0.200 |
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 |
1.099 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
2.149 |
1.750 |
0.000 |
-0.039 |
-0.110 |
Rise |
0.000 |
1.750 |
8.249 |
0.000 |
-0.070 |
-0.189 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.070 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.110 |
-0.189 |
0.000 |
0.010 |
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 |
1.030 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
2.040 |
1.365 |
0.000 |
-0.021 |
-0.119 |
Rise |
0.000 |
1.365 |
8.306 |
0.000 |
-0.058 |
-0.153 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.021 |
-0.058 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.119 |
-0.153 |
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 |
1.622 |
0.000 |
0.000 |
-0.096 |
0.000 |
0.000 |
Slide |
0.000 |
3.344 |
1.035 |
0.000 |
-0.052 |
-0.229 |
Rise |
0.000 |
1.035 |
8.530 |
0.000 |
-0.051 |
-0.152 |
Tilt |
-0.096 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
-0.051 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.229 |
-0.152 |
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 |
1.378 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
2.670 |
1.206 |
0.000 |
-0.086 |
-0.148 |
Rise |
0.000 |
1.206 |
8.232 |
0.000 |
-0.049 |
-0.201 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.086 |
-0.049 |
0.000 |
0.025 |
0.010 |
Twist |
0.000 |
-0.148 |
-0.201 |
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)