| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.901 |
0.000 |
0.000 |
-0.058 |
0.000 |
0.000 |
Slide |
0.000 |
2.725 |
1.221 |
0.000 |
-0.082 |
-0.159 |
Rise |
0.000 |
1.221 |
9.240 |
0.000 |
-0.039 |
-0.183 |
Tilt |
-0.058 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.082 |
-0.039 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.159 |
-0.183 |
0.000 |
0.011 |
0.032 |
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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 |
1.469 |
0.000 |
0.000 |
-0.085 |
0.000 |
0.000 |
Slide |
0.000 |
3.600 |
1.328 |
0.000 |
-0.032 |
-0.247 |
Rise |
0.000 |
1.328 |
8.729 |
0.000 |
-0.063 |
-0.173 |
Tilt |
-0.085 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.032 |
-0.063 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.247 |
-0.173 |
0.000 |
0.007 |
0.052 |
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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 |
0.724 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
2.749 |
0.811 |
0.000 |
-0.086 |
-0.189 |
Rise |
0.000 |
0.811 |
10.021 |
0.000 |
-0.000 |
-0.148 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.086 |
-0.000 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.189 |
-0.148 |
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 |
1.276 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
2.226 |
1.601 |
0.000 |
-0.061 |
-0.080 |
Rise |
0.000 |
1.601 |
7.802 |
0.000 |
-0.048 |
-0.164 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.048 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.080 |
-0.164 |
0.000 |
0.006 |
0.028 |
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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 |
1.706 |
0.000 |
0.000 |
-0.007 |
0.000 |
0.000 |
Slide |
0.000 |
4.994 |
3.107 |
0.000 |
-0.062 |
-0.100 |
Rise |
0.000 |
3.107 |
12.321 |
0.000 |
0.064 |
-0.170 |
Tilt |
-0.007 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
0.064 |
0.000 |
0.030 |
0.013 |
Twist |
0.000 |
-0.100 |
-0.170 |
0.000 |
0.013 |
0.043 |
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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 |
2.010 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
5.116 |
2.998 |
0.000 |
-0.008 |
-0.147 |
Rise |
0.000 |
2.998 |
11.524 |
0.000 |
0.081 |
-0.174 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
0.081 |
0.000 |
0.032 |
0.007 |
Twist |
0.000 |
-0.147 |
-0.174 |
0.000 |
0.007 |
0.053 |
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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 |
2.088 |
0.000 |
0.000 |
-0.038 |
0.000 |
0.000 |
Slide |
0.000 |
4.916 |
2.921 |
0.000 |
-0.016 |
-0.130 |
Rise |
0.000 |
2.921 |
11.366 |
0.000 |
0.072 |
-0.168 |
Tilt |
-0.038 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
0.072 |
0.000 |
0.034 |
0.007 |
Twist |
0.000 |
-0.130 |
-0.168 |
0.000 |
0.007 |
0.050 |
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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 |
1.804 |
0.000 |
0.000 |
0.006 |
0.000 |
0.000 |
Slide |
0.000 |
5.039 |
2.933 |
0.000 |
-0.070 |
-0.082 |
Rise |
0.000 |
2.933 |
11.811 |
0.000 |
0.057 |
-0.156 |
Tilt |
0.006 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
Roll |
0.000 |
-0.070 |
0.057 |
0.000 |
0.030 |
0.012 |
Twist |
0.000 |
-0.082 |
-0.156 |
0.000 |
0.012 |
0.041 |
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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 |
1.281 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
2.277 |
1.779 |
0.000 |
-0.068 |
-0.083 |
Rise |
0.000 |
1.779 |
7.679 |
0.000 |
-0.061 |
-0.176 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.068 |
-0.061 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.083 |
-0.176 |
0.000 |
0.006 |
0.028 |
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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 |
1.444 |
0.000 |
0.000 |
-0.087 |
0.000 |
0.000 |
Slide |
0.000 |
1.954 |
1.409 |
0.000 |
-0.009 |
-0.145 |
Rise |
0.000 |
1.409 |
8.277 |
0.000 |
-0.038 |
-0.167 |
Tilt |
-0.087 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
-0.038 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.145 |
-0.167 |
0.000 |
0.008 |
0.043 |
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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 |
0.606 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.050 |
1.146 |
0.000 |
0.042 |
-0.103 |
Rise |
0.000 |
1.146 |
7.045 |
0.000 |
-0.074 |
-0.218 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.042 |
-0.074 |
0.000 |
0.016 |
0.009 |
Twist |
0.000 |
-0.103 |
-0.218 |
0.000 |
0.009 |
0.032 |
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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 |
0.398 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
2.583 |
0.893 |
0.000 |
-0.001 |
-0.159 |
Rise |
0.000 |
0.893 |
8.628 |
0.000 |
-0.134 |
-0.241 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.134 |
0.000 |
0.018 |
0.013 |
Twist |
0.000 |
-0.159 |
-0.241 |
0.000 |
0.013 |
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 |
0.415 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
2.532 |
0.937 |
0.000 |
0.008 |
-0.147 |
Rise |
0.000 |
0.937 |
8.270 |
0.000 |
-0.130 |
-0.231 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.130 |
0.000 |
0.019 |
0.013 |
Twist |
0.000 |
-0.147 |
-0.231 |
0.000 |
0.013 |
0.029 |
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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 |
1.430 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
Slide |
0.000 |
2.053 |
1.320 |
0.000 |
-0.002 |
-0.148 |
Rise |
0.000 |
1.320 |
7.897 |
0.000 |
-0.037 |
-0.162 |
Tilt |
-0.093 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
-0.037 |
0.000 |
0.020 |
0.006 |
Twist |
0.000 |
-0.148 |
-0.163 |
0.000 |
0.006 |
0.041 |
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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 |
0.710 |
0.000 |
0.000 |
-0.072 |
0.000 |
0.000 |
Slide |
0.000 |
2.773 |
0.724 |
0.000 |
-0.084 |
-0.174 |
Rise |
0.000 |
0.724 |
9.640 |
0.000 |
-0.019 |
-0.152 |
Tilt |
-0.072 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.084 |
-0.019 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.174 |
-0.152 |
0.000 |
0.009 |
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 |
1.600 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
3.720 |
1.087 |
0.000 |
-0.024 |
-0.263 |
Rise |
0.000 |
1.086 |
7.996 |
0.000 |
-0.052 |
-0.134 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
-0.052 |
0.000 |
0.024 |
0.004 |
Twist |
0.000 |
-0.263 |
-0.134 |
0.000 |
0.004 |
0.053 |
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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 |
0.872 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
2.755 |
1.187 |
0.000 |
-0.064 |
-0.163 |
Rise |
0.000 |
1.187 |
9.151 |
0.000 |
-0.047 |
-0.185 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.064 |
-0.047 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.163 |
-0.185 |
0.000 |
0.011 |
0.032 |
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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)