| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.394 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
Slide |
0.000 |
2.420 |
0.478 |
0.000 |
-0.118 |
-0.145 |
Rise |
0.000 |
0.478 |
7.287 |
0.000 |
-0.124 |
-0.098 |
Tilt |
0.004 |
0.000 |
0.000 |
0.016 |
0.000 |
0.000 |
Roll |
0.000 |
-0.118 |
-0.124 |
0.000 |
0.018 |
0.014 |
Twist |
0.000 |
-0.145 |
-0.098 |
0.000 |
0.014 |
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 |
1.288 |
0.000 |
0.000 |
-0.148 |
0.000 |
0.000 |
Slide |
0.000 |
3.436 |
1.720 |
0.000 |
-0.049 |
-0.181 |
Rise |
0.000 |
1.720 |
6.726 |
0.000 |
-0.070 |
-0.231 |
Tilt |
-0.148 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.070 |
0.000 |
0.021 |
0.005 |
Twist |
0.000 |
-0.181 |
-0.231 |
0.000 |
0.005 |
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 |
2.423 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
Slide |
0.000 |
4.245 |
1.986 |
0.000 |
-0.060 |
-0.225 |
Rise |
0.000 |
1.986 |
5.006 |
0.000 |
-0.109 |
-0.110 |
Tilt |
0.004 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.109 |
0.000 |
0.032 |
0.006 |
Twist |
0.000 |
-0.225 |
-0.110 |
0.000 |
0.006 |
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 |
0.713 |
0.000 |
0.000 |
-0.028 |
0.000 |
0.000 |
Slide |
0.000 |
5.646 |
2.640 |
0.000 |
-0.039 |
-0.103 |
Rise |
0.000 |
2.640 |
7.621 |
0.000 |
-0.130 |
-0.171 |
Tilt |
-0.028 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.130 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.103 |
-0.171 |
0.000 |
0.007 |
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 |
0.830 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Slide |
0.000 |
4.408 |
2.867 |
0.000 |
-0.037 |
-0.254 |
Rise |
0.000 |
2.867 |
7.692 |
0.000 |
0.025 |
-0.124 |
Tilt |
0.000 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
0.025 |
0.000 |
0.032 |
-0.002 |
Twist |
0.000 |
-0.254 |
-0.124 |
0.000 |
-0.002 |
0.068 |
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 |
0.451 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
3.415 |
-0.348 |
0.000 |
0.025 |
-0.096 |
Rise |
0.000 |
-0.348 |
7.830 |
0.000 |
-0.192 |
-0.248 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.025 |
-0.192 |
0.000 |
0.019 |
0.012 |
Twist |
0.000 |
-0.096 |
-0.248 |
0.000 |
0.012 |
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 |
0.877 |
0.000 |
0.000 |
-0.096 |
0.000 |
0.000 |
Slide |
0.000 |
2.704 |
1.231 |
0.000 |
-0.024 |
-0.074 |
Rise |
0.000 |
1.231 |
7.705 |
0.000 |
-0.168 |
-0.237 |
Tilt |
-0.096 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
-0.168 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.074 |
-0.237 |
0.000 |
0.011 |
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 |
2.233 |
0.000 |
0.000 |
-0.033 |
0.000 |
0.000 |
Slide |
0.000 |
5.964 |
3.774 |
0.000 |
-0.008 |
-0.188 |
Rise |
0.000 |
3.774 |
11.693 |
0.000 |
0.083 |
-0.188 |
Tilt |
-0.033 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
0.083 |
0.000 |
0.026 |
-0.000 |
Twist |
0.000 |
-0.188 |
-0.188 |
0.000 |
-0.000 |
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 |
0.837 |
0.000 |
0.000 |
-0.009 |
0.000 |
0.000 |
Slide |
0.000 |
4.429 |
3.517 |
0.000 |
0.102 |
-0.092 |
Rise |
0.000 |
3.517 |
11.988 |
0.000 |
0.181 |
-0.212 |
Tilt |
-0.009 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.102 |
0.181 |
0.000 |
0.026 |
0.001 |
Twist |
0.000 |
-0.092 |
-0.212 |
0.000 |
0.001 |
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 |
0.366 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
5.849 |
2.514 |
0.000 |
-0.070 |
-0.255 |
Rise |
0.000 |
2.514 |
10.135 |
0.000 |
-0.004 |
-0.078 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.070 |
-0.004 |
0.000 |
0.029 |
0.009 |
Twist |
0.000 |
-0.255 |
-0.078 |
0.000 |
0.009 |
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 |
0.501 |
0.000 |
0.000 |
-0.003 |
0.000 |
0.000 |
Slide |
0.000 |
5.005 |
-0.359 |
0.000 |
0.018 |
-0.139 |
Rise |
0.000 |
-0.359 |
6.162 |
0.000 |
-0.217 |
-0.128 |
Tilt |
-0.003 |
0.000 |
0.000 |
0.010 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
-0.217 |
0.000 |
0.027 |
0.011 |
Twist |
0.000 |
-0.139 |
-0.128 |
0.000 |
0.011 |
0.016 |
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 |
0.201 |
0.000 |
0.000 |
-0.011 |
0.000 |
0.000 |
Slide |
0.000 |
2.670 |
-0.547 |
0.000 |
-0.042 |
-0.103 |
Rise |
0.000 |
-0.547 |
5.604 |
0.000 |
-0.231 |
-0.040 |
Tilt |
-0.011 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.231 |
0.000 |
0.020 |
0.002 |
Twist |
0.000 |
-0.103 |
-0.040 |
0.000 |
0.002 |
0.021 |
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 |
0.928 |
0.000 |
0.000 |
-0.120 |
0.000 |
0.000 |
Slide |
0.000 |
4.673 |
1.400 |
0.000 |
0.006 |
-0.220 |
Rise |
0.000 |
1.400 |
7.081 |
0.000 |
0.045 |
-0.076 |
Tilt |
-0.120 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
0.045 |
0.000 |
0.018 |
-0.005 |
Twist |
0.000 |
-0.220 |
-0.076 |
0.000 |
-0.005 |
0.076 |
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 |
0.575 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
3.485 |
-0.045 |
0.000 |
0.021 |
0.055 |
Rise |
0.000 |
-0.045 |
6.258 |
0.000 |
-0.161 |
-0.041 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.161 |
0.000 |
0.013 |
0.005 |
Twist |
0.000 |
0.055 |
-0.041 |
0.000 |
0.005 |
0.059 |
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)