| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.930 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.900 |
0.757 |
0.000 |
-0.075 |
-0.140 |
Rise |
0.000 |
0.757 |
9.169 |
0.000 |
-0.025 |
-0.202 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.075 |
-0.025 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.140 |
-0.202 |
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 |
1.097 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
3.173 |
1.205 |
0.000 |
-0.076 |
-0.194 |
Rise |
0.000 |
1.205 |
9.078 |
0.000 |
-0.040 |
-0.198 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.076 |
-0.040 |
0.000 |
0.026 |
0.012 |
Twist |
0.000 |
-0.194 |
-0.198 |
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 |
1.895 |
0.000 |
0.000 |
-0.110 |
0.000 |
0.000 |
Slide |
0.000 |
4.504 |
1.234 |
0.000 |
-0.021 |
-0.344 |
Rise |
0.000 |
1.234 |
8.483 |
0.000 |
-0.065 |
-0.145 |
Tilt |
-0.110 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.021 |
-0.065 |
0.000 |
0.026 |
0.005 |
Twist |
0.000 |
-0.344 |
-0.145 |
0.000 |
0.005 |
0.063 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.801 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
2.617 |
1.090 |
0.000 |
-0.087 |
-0.150 |
Rise |
0.000 |
1.090 |
9.175 |
0.000 |
-0.037 |
-0.186 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.087 |
-0.037 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.150 |
-0.186 |
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 |
1.442 |
0.000 |
0.000 |
-0.085 |
0.000 |
0.000 |
Slide |
0.000 |
3.109 |
0.880 |
0.000 |
-0.051 |
-0.173 |
Rise |
0.000 |
0.880 |
8.693 |
0.000 |
-0.028 |
-0.160 |
Tilt |
-0.085 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.028 |
0.000 |
0.026 |
0.011 |
Twist |
0.000 |
-0.173 |
-0.160 |
0.000 |
0.011 |
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 |
2.087 |
0.000 |
0.000 |
-0.139 |
0.000 |
0.000 |
Slide |
0.000 |
3.602 |
1.670 |
0.000 |
-0.084 |
-0.201 |
Rise |
0.000 |
1.670 |
8.464 |
0.000 |
-0.079 |
-0.168 |
Tilt |
-0.139 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.084 |
-0.079 |
0.000 |
0.027 |
0.006 |
Twist |
0.000 |
-0.201 |
-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 |
0.894 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
2.321 |
1.908 |
0.000 |
-0.023 |
-0.097 |
Rise |
0.000 |
1.908 |
6.065 |
0.000 |
-0.055 |
-0.184 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.023 |
-0.055 |
0.000 |
0.018 |
0.002 |
Twist |
0.000 |
-0.097 |
-0.184 |
0.000 |
0.002 |
0.030 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.780 |
0.000 |
0.000 |
-0.004 |
0.000 |
0.000 |
Slide |
0.000 |
5.738 |
2.735 |
0.000 |
-0.001 |
-0.230 |
Rise |
0.000 |
2.735 |
11.035 |
0.000 |
0.062 |
-0.163 |
Tilt |
-0.004 |
0.000 |
0.000 |
0.051 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
0.062 |
0.000 |
0.038 |
0.005 |
Twist |
0.000 |
-0.230 |
-0.163 |
0.000 |
0.005 |
0.079 |
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 |
0.725 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
2.595 |
0.852 |
0.000 |
0.015 |
-0.106 |
Rise |
0.000 |
0.852 |
7.905 |
0.000 |
-0.108 |
-0.229 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.108 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.106 |
-0.229 |
0.000 |
0.011 |
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 |
0.784 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
2.410 |
1.012 |
0.000 |
0.018 |
-0.089 |
Rise |
0.000 |
1.012 |
7.470 |
0.000 |
-0.100 |
-0.230 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
-0.100 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.089 |
-0.230 |
0.000 |
0.009 |
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 |
1.138 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
3.381 |
0.418 |
0.000 |
0.025 |
-0.114 |
Rise |
0.000 |
0.418 |
8.825 |
0.000 |
-0.082 |
-0.269 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.025 |
-0.082 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.114 |
-0.269 |
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 |
1.338 |
0.000 |
0.000 |
-0.140 |
0.000 |
0.000 |
Slide |
0.000 |
3.120 |
2.733 |
0.000 |
0.067 |
-0.077 |
Rise |
0.000 |
2.733 |
12.319 |
0.000 |
0.152 |
-0.261 |
Tilt |
-0.140 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
0.067 |
0.152 |
0.000 |
0.028 |
0.004 |
Twist |
0.000 |
-0.077 |
-0.261 |
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 |
1.359 |
0.000 |
0.000 |
-0.132 |
0.000 |
0.000 |
Slide |
0.000 |
3.242 |
2.721 |
0.000 |
0.073 |
-0.113 |
Rise |
0.000 |
2.721 |
11.712 |
0.000 |
0.146 |
-0.256 |
Tilt |
-0.132 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
0.073 |
0.146 |
0.000 |
0.026 |
0.006 |
Twist |
0.000 |
-0.113 |
-0.256 |
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 |
0.439 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
2.599 |
1.104 |
0.000 |
-0.013 |
-0.167 |
Rise |
0.000 |
1.104 |
8.051 |
0.000 |
-0.095 |
-0.219 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.013 |
-0.095 |
0.000 |
0.017 |
0.013 |
Twist |
0.000 |
-0.167 |
-0.219 |
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 |
0.722 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
2.832 |
1.001 |
0.000 |
-0.050 |
-0.149 |
Rise |
0.000 |
1.001 |
9.640 |
0.000 |
-0.007 |
-0.154 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.050 |
-0.007 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.149 |
-0.154 |
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)