| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.020 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.624 |
1.273 |
0.000 |
-0.080 |
-0.156 |
Rise |
0.000 |
1.273 |
7.906 |
0.000 |
-0.041 |
-0.181 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.080 |
-0.041 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.156 |
-0.181 |
0.000 |
0.010 |
0.031 |
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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 |
1.425 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
2.904 |
1.539 |
0.000 |
-0.056 |
-0.169 |
Rise |
0.000 |
1.539 |
7.587 |
0.000 |
-0.051 |
-0.183 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
-0.051 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.169 |
-0.183 |
0.000 |
0.008 |
0.033 |
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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 |
1.648 |
0.000 |
0.000 |
-0.104 |
0.000 |
0.000 |
Slide |
0.000 |
3.909 |
1.114 |
0.000 |
-0.043 |
-0.305 |
Rise |
0.000 |
1.114 |
8.168 |
0.000 |
-0.032 |
-0.121 |
Tilt |
-0.104 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.032 |
0.000 |
0.026 |
0.003 |
Twist |
0.000 |
-0.305 |
-0.121 |
0.000 |
0.003 |
0.054 |
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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 |
2.998 |
0.000 |
0.000 |
0.012 |
0.000 |
0.000 |
Slide |
0.000 |
6.748 |
2.303 |
0.000 |
-0.051 |
-0.327 |
Rise |
0.000 |
2.303 |
13.372 |
0.000 |
0.101 |
-0.084 |
Tilt |
0.012 |
0.000 |
0.000 |
0.050 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
0.101 |
0.000 |
0.042 |
0.005 |
Twist |
0.000 |
-0.327 |
-0.084 |
0.000 |
0.005 |
0.086 |
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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 |
0.690 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
2.450 |
1.107 |
0.000 |
0.008 |
-0.101 |
Rise |
0.000 |
1.107 |
6.820 |
0.000 |
-0.092 |
-0.219 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.092 |
0.000 |
0.017 |
0.009 |
Twist |
0.000 |
-0.101 |
-0.219 |
0.000 |
0.009 |
0.023 |
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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 |
0.719 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
2.318 |
0.950 |
0.000 |
0.007 |
-0.082 |
Rise |
0.000 |
0.950 |
6.076 |
0.000 |
-0.097 |
-0.199 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.097 |
0.000 |
0.017 |
0.009 |
Twist |
0.000 |
-0.082 |
-0.199 |
0.000 |
0.009 |
0.022 |
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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 |
1.704 |
0.000 |
0.000 |
-0.100 |
0.000 |
0.000 |
Slide |
0.000 |
3.702 |
1.111 |
0.000 |
-0.047 |
-0.292 |
Rise |
0.000 |
1.111 |
8.020 |
0.000 |
-0.038 |
-0.136 |
Tilt |
-0.100 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
-0.038 |
0.000 |
0.026 |
0.004 |
Twist |
0.000 |
-0.292 |
-0.136 |
0.000 |
0.004 |
0.056 |
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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 |
1.548 |
0.000 |
0.000 |
-0.040 |
0.000 |
0.000 |
Slide |
0.000 |
2.750 |
1.436 |
0.000 |
-0.066 |
-0.155 |
Rise |
0.000 |
1.436 |
7.282 |
0.000 |
-0.056 |
-0.157 |
Tilt |
-0.040 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.056 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.155 |
-0.157 |
0.000 |
0.007 |
0.031 |
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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 |
1.053 |
0.000 |
0.000 |
-0.076 |
0.000 |
0.000 |
Slide |
0.000 |
2.633 |
1.349 |
0.000 |
-0.073 |
-0.168 |
Rise |
0.000 |
1.349 |
7.691 |
0.000 |
-0.041 |
-0.192 |
Tilt |
-0.076 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.073 |
-0.041 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.168 |
-0.192 |
0.000 |
0.010 |
0.033 |
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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)