| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.502 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.811 |
0.202 |
0.000 |
0.001 |
-0.062 |
Rise |
0.000 |
0.202 |
8.672 |
0.000 |
-0.120 |
-0.261 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.120 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.062 |
-0.261 |
0.000 |
0.007 |
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 |
1.342 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
2.357 |
0.860 |
0.000 |
-0.004 |
-0.069 |
Rise |
0.000 |
0.860 |
6.973 |
0.000 |
-0.081 |
-0.232 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.081 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.069 |
-0.232 |
0.000 |
0.006 |
0.017 |
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 |
0.116 |
0.000 |
0.000 |
0.009 |
0.000 |
0.000 |
Slide |
0.000 |
0.580 |
-0.116 |
0.000 |
-0.013 |
-0.005 |
Rise |
0.000 |
-0.116 |
1.711 |
0.000 |
-0.030 |
-0.018 |
Tilt |
0.009 |
0.000 |
0.000 |
0.006 |
0.000 |
0.000 |
Roll |
0.000 |
-0.013 |
-0.030 |
0.000 |
0.003 |
-0.000 |
Twist |
0.000 |
-0.005 |
-0.018 |
0.000 |
-0.000 |
0.006 |
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 |
1.538 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
3.018 |
0.179 |
0.000 |
0.010 |
-0.078 |
Rise |
0.000 |
0.179 |
8.982 |
0.000 |
-0.135 |
-0.280 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.135 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.078 |
-0.280 |
0.000 |
0.009 |
0.020 |
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 |
1.643 |
0.000 |
0.000 |
-0.071 |
0.000 |
0.000 |
Slide |
0.000 |
3.405 |
-0.141 |
0.000 |
0.013 |
-0.067 |
Rise |
0.000 |
-0.141 |
9.051 |
0.000 |
-0.149 |
-0.251 |
Tilt |
-0.071 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.149 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.067 |
-0.251 |
0.000 |
0.007 |
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 |
1.369 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
3.582 |
2.702 |
0.000 |
0.075 |
-0.164 |
Rise |
0.000 |
2.702 |
11.064 |
0.000 |
0.155 |
-0.222 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.075 |
0.155 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.164 |
-0.222 |
0.000 |
0.005 |
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 |
1.530 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
2.730 |
2.298 |
0.000 |
0.051 |
-0.120 |
Rise |
0.000 |
2.298 |
10.056 |
0.000 |
0.131 |
-0.221 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.051 |
0.131 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.120 |
-0.221 |
0.000 |
0.008 |
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 |
1.125 |
0.000 |
0.000 |
-0.091 |
0.000 |
0.000 |
Slide |
0.000 |
3.706 |
2.323 |
0.000 |
0.094 |
-0.173 |
Rise |
0.000 |
2.323 |
10.619 |
0.000 |
0.184 |
-0.233 |
Tilt |
-0.091 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.094 |
0.184 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.173 |
-0.233 |
0.000 |
0.004 |
0.038 |
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 |
1.426 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
3.465 |
2.513 |
0.000 |
0.069 |
-0.159 |
Rise |
0.000 |
2.513 |
10.959 |
0.000 |
0.151 |
-0.211 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.069 |
0.151 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.159 |
-0.211 |
0.000 |
0.005 |
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 |
1.828 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
Slide |
0.000 |
2.123 |
1.843 |
0.000 |
-0.030 |
-0.132 |
Rise |
0.000 |
1.843 |
7.371 |
0.000 |
-0.036 |
-0.173 |
Tilt |
-0.093 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.036 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.132 |
-0.173 |
0.000 |
0.008 |
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 |
1.021 |
0.000 |
0.000 |
-0.102 |
0.000 |
0.000 |
Slide |
0.000 |
1.760 |
1.504 |
0.000 |
-0.004 |
-0.123 |
Rise |
0.000 |
1.504 |
8.127 |
0.000 |
-0.009 |
-0.191 |
Tilt |
-0.102 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.009 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.123 |
-0.191 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.695 |
0.000 |
0.000 |
-0.101 |
0.000 |
0.000 |
Slide |
0.000 |
1.789 |
1.912 |
0.000 |
-0.026 |
-0.109 |
Rise |
0.000 |
1.912 |
7.387 |
0.000 |
-0.033 |
-0.186 |
Tilt |
-0.101 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
-0.033 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.109 |
-0.186 |
0.000 |
0.008 |
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 |
1.112 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
1.924 |
1.566 |
0.000 |
-0.006 |
-0.155 |
Rise |
0.000 |
1.566 |
8.162 |
0.000 |
-0.013 |
-0.161 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.013 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.155 |
-0.161 |
0.000 |
0.006 |
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 |
1.743 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.025 |
1.761 |
0.000 |
-0.030 |
-0.124 |
Rise |
0.000 |
1.761 |
7.021 |
0.000 |
-0.034 |
-0.150 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.034 |
0.000 |
0.027 |
0.008 |
Twist |
0.000 |
-0.124 |
-0.150 |
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 |
1.043 |
0.000 |
0.000 |
-0.097 |
0.000 |
0.000 |
Slide |
0.000 |
2.055 |
1.574 |
0.000 |
-0.008 |
-0.169 |
Rise |
0.000 |
1.573 |
8.189 |
0.000 |
-0.003 |
-0.173 |
Tilt |
-0.097 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
-0.003 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.169 |
-0.173 |
0.000 |
0.008 |
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)