| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.978 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
3.649 |
2.552 |
0.000 |
0.014 |
-0.120 |
Rise |
0.000 |
2.552 |
10.120 |
0.000 |
0.049 |
-0.220 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
0.049 |
0.000 |
0.026 |
0.012 |
Twist |
0.000 |
-0.120 |
-0.220 |
0.000 |
0.012 |
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 |
1.216 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
3.936 |
3.093 |
0.000 |
-0.027 |
-0.095 |
Rise |
0.000 |
3.093 |
11.211 |
0.000 |
0.109 |
-0.201 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.027 |
0.109 |
0.000 |
0.027 |
0.005 |
Twist |
0.000 |
-0.095 |
-0.201 |
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 |
1.213 |
0.000 |
0.000 |
-0.021 |
0.000 |
0.000 |
Slide |
0.000 |
4.544 |
2.691 |
0.000 |
-0.035 |
-0.140 |
Rise |
0.000 |
2.691 |
11.178 |
0.000 |
0.074 |
-0.162 |
Tilt |
-0.021 |
0.000 |
0.000 |
0.049 |
0.000 |
0.000 |
Roll |
0.000 |
-0.035 |
0.074 |
0.000 |
0.028 |
0.014 |
Twist |
0.000 |
-0.140 |
-0.162 |
0.000 |
0.014 |
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 |
1.433 |
0.000 |
0.000 |
0.010 |
0.000 |
0.000 |
Slide |
0.000 |
4.524 |
2.670 |
0.000 |
-0.049 |
-0.035 |
Rise |
0.000 |
2.670 |
10.202 |
0.000 |
0.048 |
-0.108 |
Tilt |
0.010 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
0.048 |
0.000 |
0.026 |
0.006 |
Twist |
0.000 |
-0.035 |
-0.108 |
0.000 |
0.006 |
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 |
0.698 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
3.126 |
0.528 |
0.000 |
0.014 |
-0.144 |
Rise |
0.000 |
0.528 |
6.856 |
0.000 |
-0.083 |
-0.222 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.083 |
0.000 |
0.015 |
0.008 |
Twist |
0.000 |
-0.144 |
-0.222 |
0.000 |
0.008 |
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 |
1.110 |
0.000 |
0.000 |
-0.145 |
0.000 |
0.000 |
Slide |
0.000 |
3.312 |
0.926 |
0.000 |
0.009 |
-0.172 |
Rise |
0.000 |
0.926 |
8.363 |
0.000 |
-0.064 |
-0.199 |
Tilt |
-0.145 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.064 |
0.000 |
0.016 |
0.005 |
Twist |
0.000 |
-0.172 |
-0.199 |
0.000 |
0.005 |
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 |
0.052 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
Slide |
0.000 |
1.428 |
0.060 |
0.000 |
-0.020 |
-0.096 |
Rise |
0.000 |
0.060 |
0.510 |
0.000 |
0.003 |
-0.023 |
Tilt |
0.007 |
0.000 |
0.000 |
0.010 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
0.003 |
0.000 |
0.008 |
0.003 |
Twist |
0.000 |
-0.096 |
-0.023 |
0.000 |
0.003 |
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 |
0.128 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
Slide |
0.000 |
1.456 |
-0.420 |
0.000 |
-0.041 |
-0.095 |
Rise |
0.000 |
-0.420 |
1.240 |
0.000 |
0.046 |
0.031 |
Tilt |
0.002 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
Roll |
0.000 |
-0.041 |
0.046 |
0.000 |
0.014 |
0.004 |
Twist |
0.000 |
-0.095 |
0.031 |
0.000 |
0.004 |
0.013 |
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 |
0.457 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
2.520 |
1.164 |
0.000 |
0.004 |
-0.139 |
Rise |
0.000 |
1.164 |
8.253 |
0.000 |
-0.091 |
-0.229 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.091 |
0.000 |
0.016 |
0.010 |
Twist |
0.000 |
-0.139 |
-0.229 |
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 |
0.481 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
2.068 |
1.100 |
0.000 |
0.011 |
-0.115 |
Rise |
0.000 |
1.100 |
7.308 |
0.000 |
-0.076 |
-0.211 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.076 |
0.000 |
0.015 |
0.009 |
Twist |
0.000 |
-0.115 |
-0.211 |
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)