| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.053 |
0.000 |
0.000 |
-0.004 |
0.000 |
0.000 |
Slide |
0.000 |
3.417 |
2.303 |
0.000 |
-0.038 |
-0.250 |
Rise |
0.000 |
2.303 |
13.042 |
0.000 |
-0.126 |
-0.198 |
Tilt |
-0.004 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.038 |
-0.126 |
0.000 |
0.024 |
0.003 |
Twist |
0.000 |
-0.250 |
-0.198 |
0.000 |
0.003 |
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 |
1.099 |
0.000 |
0.000 |
-0.009 |
0.000 |
0.000 |
Slide |
0.000 |
3.761 |
2.592 |
0.000 |
-0.044 |
-0.261 |
Rise |
0.000 |
2.592 |
13.752 |
0.000 |
-0.146 |
-0.224 |
Tilt |
-0.009 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.146 |
0.000 |
0.026 |
0.003 |
Twist |
0.000 |
-0.261 |
-0.224 |
0.000 |
0.003 |
0.065 |
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 |
1.245 |
0.000 |
0.000 |
-0.007 |
0.000 |
0.000 |
Slide |
0.000 |
5.405 |
1.089 |
0.000 |
-0.062 |
-0.238 |
Rise |
0.000 |
1.089 |
4.944 |
0.000 |
-0.054 |
-0.089 |
Tilt |
-0.007 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
-0.054 |
0.000 |
0.017 |
-0.004 |
Twist |
0.000 |
-0.238 |
-0.089 |
0.000 |
-0.004 |
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 |
1.518 |
0.000 |
0.000 |
-0.000 |
0.000 |
0.000 |
Slide |
0.000 |
5.686 |
1.181 |
0.000 |
-0.076 |
-0.184 |
Rise |
0.000 |
1.181 |
5.520 |
0.000 |
-0.083 |
-0.134 |
Tilt |
-0.000 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.076 |
-0.083 |
0.000 |
0.017 |
-0.001 |
Twist |
0.000 |
-0.184 |
-0.134 |
0.000 |
-0.001 |
0.071 |
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 |
2.409 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
5.960 |
1.051 |
0.000 |
-0.011 |
-0.260 |
Rise |
0.000 |
1.051 |
8.635 |
0.000 |
-0.148 |
-0.236 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.011 |
-0.148 |
0.000 |
0.025 |
0.001 |
Twist |
0.000 |
-0.260 |
-0.236 |
0.000 |
0.001 |
0.069 |
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 |
1.266 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
4.970 |
1.800 |
0.000 |
-0.050 |
-0.270 |
Rise |
0.000 |
1.799 |
4.388 |
0.000 |
-0.040 |
-0.093 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.050 |
-0.040 |
0.000 |
0.016 |
-0.006 |
Twist |
0.000 |
-0.270 |
-0.093 |
0.000 |
-0.006 |
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 |
1.354 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
5.051 |
1.998 |
0.000 |
-0.045 |
-0.257 |
Rise |
0.000 |
1.998 |
4.800 |
0.000 |
-0.044 |
-0.114 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
-0.044 |
0.000 |
0.017 |
-0.006 |
Twist |
0.000 |
-0.257 |
-0.114 |
0.000 |
-0.006 |
0.066 |
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 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
4.770 |
1.826 |
0.000 |
-0.046 |
-0.245 |
Rise |
0.000 |
1.826 |
4.817 |
0.000 |
-0.051 |
-0.077 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.046 |
-0.051 |
0.000 |
0.017 |
-0.006 |
Twist |
0.000 |
-0.245 |
-0.077 |
0.000 |
-0.006 |
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 |
1.240 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
5.008 |
1.960 |
0.000 |
-0.060 |
-0.209 |
Rise |
0.000 |
1.960 |
5.044 |
0.000 |
-0.072 |
-0.091 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.072 |
0.000 |
0.018 |
-0.005 |
Twist |
0.000 |
-0.209 |
-0.091 |
0.000 |
-0.005 |
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 |
1.583 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
4.916 |
1.995 |
0.000 |
-0.050 |
-0.262 |
Rise |
0.000 |
1.995 |
5.277 |
0.000 |
-0.069 |
-0.114 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.050 |
-0.069 |
0.000 |
0.018 |
-0.005 |
Twist |
0.000 |
-0.262 |
-0.114 |
0.000 |
-0.005 |
0.071 |
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 |
2.002 |
0.000 |
0.000 |
-0.038 |
0.000 |
0.000 |
Slide |
0.000 |
4.179 |
2.385 |
0.000 |
-0.037 |
-0.275 |
Rise |
0.000 |
2.385 |
15.728 |
0.000 |
-0.094 |
-0.266 |
Tilt |
-0.038 |
0.000 |
0.000 |
0.050 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.094 |
0.000 |
0.031 |
0.002 |
Twist |
0.000 |
-0.275 |
-0.266 |
0.000 |
0.002 |
0.064 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.040 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
3.932 |
2.558 |
0.000 |
-0.058 |
-0.269 |
Rise |
0.000 |
2.558 |
16.205 |
0.000 |
-0.122 |
-0.275 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.049 |
0.000 |
0.000 |
Roll |
0.000 |
-0.058 |
-0.122 |
0.000 |
0.030 |
0.005 |
Twist |
0.000 |
-0.269 |
-0.275 |
0.000 |
0.005 |
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 |
2.314 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
4.239 |
2.837 |
0.000 |
-0.040 |
-0.286 |
Rise |
0.000 |
2.837 |
16.360 |
0.000 |
-0.110 |
-0.318 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.110 |
0.000 |
0.031 |
0.003 |
Twist |
0.000 |
-0.286 |
-0.318 |
0.000 |
0.003 |
0.066 |
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 |
2.046 |
0.000 |
0.000 |
-0.040 |
0.000 |
0.000 |
Slide |
0.000 |
4.249 |
2.667 |
0.000 |
-0.053 |
-0.273 |
Rise |
0.000 |
2.667 |
15.923 |
0.000 |
-0.115 |
-0.262 |
Tilt |
-0.040 |
0.000 |
0.000 |
0.049 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.115 |
0.000 |
0.032 |
0.004 |
Twist |
0.000 |
-0.273 |
-0.262 |
0.000 |
0.004 |
0.065 |
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 |
2.412 |
0.000 |
0.000 |
-0.040 |
0.000 |
0.000 |
Slide |
0.000 |
3.877 |
2.553 |
0.000 |
-0.052 |
-0.245 |
Rise |
0.000 |
2.553 |
16.203 |
0.000 |
-0.120 |
-0.231 |
Tilt |
-0.040 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
-0.120 |
0.000 |
0.031 |
0.005 |
Twist |
0.000 |
-0.245 |
-0.231 |
0.000 |
0.005 |
0.065 |
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)