| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.838 |
0.189 |
0.372 |
-0.047 |
0.005 |
0.020 |
Slide |
0.189 |
3.877 |
2.866 |
-0.014 |
0.029 |
-0.071 |
Rise |
0.372 |
2.866 |
10.470 |
0.068 |
0.082 |
-0.206 |
Tilt |
-0.047 |
-0.014 |
0.068 |
0.041 |
0.005 |
0.006 |
Roll |
0.005 |
0.029 |
0.082 |
0.005 |
0.024 |
0.012 |
Twist |
0.020 |
-0.071 |
-0.206 |
0.006 |
0.012 |
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 |
1.773 |
0.707 |
0.570 |
-0.061 |
0.032 |
0.069 |
Slide |
0.707 |
2.678 |
1.790 |
-0.006 |
-0.023 |
-0.104 |
Rise |
0.570 |
1.790 |
9.566 |
-0.238 |
-0.014 |
-0.237 |
Tilt |
-0.061 |
-0.006 |
-0.238 |
0.050 |
0.002 |
0.011 |
Roll |
0.032 |
-0.023 |
-0.014 |
0.002 |
0.022 |
0.008 |
Twist |
0.069 |
-0.104 |
-0.238 |
0.011 |
0.008 |
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 |
1.735 |
-0.241 |
-0.257 |
-0.001 |
0.005 |
-0.021 |
Slide |
-0.241 |
5.027 |
2.755 |
-0.000 |
-0.048 |
-0.066 |
Rise |
-0.257 |
2.755 |
11.108 |
-0.018 |
0.066 |
-0.134 |
Tilt |
-0.001 |
-0.000 |
-0.018 |
0.046 |
-0.000 |
-0.001 |
Roll |
0.005 |
-0.048 |
0.066 |
-0.000 |
0.028 |
0.010 |
Twist |
-0.021 |
-0.066 |
-0.134 |
-0.001 |
0.010 |
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 |
1.605 |
-0.495 |
-0.319 |
-0.002 |
0.003 |
0.011 |
Slide |
-0.495 |
4.700 |
2.813 |
-0.034 |
-0.071 |
-0.116 |
Rise |
-0.319 |
2.813 |
11.396 |
-0.067 |
0.052 |
-0.157 |
Tilt |
-0.002 |
-0.034 |
-0.067 |
0.044 |
0.001 |
-0.000 |
Roll |
0.003 |
-0.071 |
0.052 |
0.001 |
0.032 |
0.016 |
Twist |
0.011 |
-0.116 |
-0.157 |
-0.000 |
0.016 |
0.048 |
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 |
0.056 |
0.136 |
0.002 |
-0.002 |
-0.004 |
Slide |
0.056 |
4.423 |
2.650 |
0.007 |
-0.050 |
-0.087 |
Rise |
0.136 |
2.650 |
11.122 |
0.023 |
0.060 |
-0.142 |
Tilt |
0.002 |
0.007 |
0.023 |
0.043 |
-0.000 |
0.001 |
Roll |
-0.002 |
-0.050 |
0.060 |
-0.000 |
0.028 |
0.013 |
Twist |
-0.004 |
-0.087 |
-0.142 |
0.001 |
0.013 |
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 |
0.857 |
-0.156 |
0.531 |
-0.079 |
-0.007 |
-0.022 |
Slide |
-0.156 |
2.681 |
0.435 |
-0.011 |
0.030 |
-0.109 |
Rise |
0.531 |
0.435 |
8.052 |
-0.024 |
-0.105 |
-0.230 |
Tilt |
-0.079 |
-0.011 |
-0.024 |
0.030 |
-0.000 |
-0.000 |
Roll |
-0.007 |
0.030 |
-0.105 |
-0.000 |
0.019 |
0.009 |
Twist |
-0.022 |
-0.109 |
-0.230 |
-0.000 |
0.009 |
0.024 |
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 |
1.064 |
-0.295 |
0.069 |
-0.132 |
-0.003 |
0.006 |
Slide |
-0.295 |
2.920 |
0.885 |
-0.010 |
0.013 |
-0.112 |
Rise |
0.069 |
0.885 |
7.386 |
-0.020 |
-0.093 |
-0.220 |
Tilt |
-0.132 |
-0.010 |
-0.020 |
0.032 |
-0.001 |
0.001 |
Roll |
-0.003 |
0.013 |
-0.093 |
-0.001 |
0.016 |
0.005 |
Twist |
0.006 |
-0.112 |
-0.220 |
0.001 |
0.005 |
0.030 |
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 |
1.606 |
-0.591 |
-0.500 |
-0.055 |
-0.022 |
-0.072 |
Slide |
-0.591 |
2.609 |
1.675 |
-0.008 |
-0.038 |
-0.122 |
Rise |
-0.500 |
1.675 |
9.433 |
0.245 |
-0.008 |
-0.208 |
Tilt |
-0.055 |
-0.008 |
0.245 |
0.048 |
-0.002 |
-0.009 |
Roll |
-0.022 |
-0.038 |
-0.008 |
-0.002 |
0.022 |
0.007 |
Twist |
-0.072 |
-0.122 |
-0.208 |
-0.009 |
0.007 |
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 |
1.372 |
0.786 |
0.580 |
-0.081 |
0.030 |
-0.010 |
Slide |
0.786 |
2.313 |
1.289 |
0.024 |
-0.034 |
-0.102 |
Rise |
0.580 |
1.289 |
10.211 |
-0.320 |
-0.025 |
-0.166 |
Tilt |
-0.081 |
0.024 |
-0.320 |
0.045 |
-0.004 |
-0.001 |
Roll |
0.030 |
-0.034 |
-0.025 |
-0.004 |
0.024 |
0.011 |
Twist |
-0.010 |
-0.102 |
-0.166 |
-0.001 |
0.011 |
0.030 |
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 |
1.367 |
0.607 |
0.548 |
-0.084 |
0.009 |
-0.046 |
Slide |
0.607 |
2.812 |
1.033 |
0.050 |
-0.031 |
-0.126 |
Rise |
0.548 |
1.033 |
10.757 |
-0.333 |
0.002 |
-0.127 |
Tilt |
-0.084 |
0.050 |
-0.333 |
0.048 |
-0.004 |
-0.003 |
Roll |
0.009 |
-0.031 |
0.002 |
-0.004 |
0.022 |
0.011 |
Twist |
-0.046 |
-0.126 |
-0.127 |
-0.003 |
0.011 |
0.040 |
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 |
1.215 |
0.135 |
-0.011 |
-0.126 |
-0.004 |
-0.018 |
Slide |
0.135 |
3.537 |
2.774 |
0.001 |
0.079 |
-0.101 |
Rise |
-0.011 |
2.774 |
11.125 |
-0.010 |
0.144 |
-0.222 |
Tilt |
-0.126 |
0.001 |
-0.010 |
0.041 |
-0.000 |
0.001 |
Roll |
-0.004 |
0.079 |
0.144 |
-0.000 |
0.025 |
0.006 |
Twist |
-0.018 |
-0.101 |
-0.222 |
0.001 |
0.006 |
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 |
0.570 |
0.003 |
0.050 |
-0.052 |
0.004 |
-0.002 |
Slide |
0.003 |
1.838 |
1.160 |
-0.016 |
0.033 |
-0.103 |
Rise |
0.050 |
1.160 |
7.018 |
-0.013 |
-0.069 |
-0.189 |
Tilt |
-0.052 |
-0.016 |
-0.013 |
0.027 |
0.000 |
0.001 |
Roll |
0.004 |
0.033 |
-0.069 |
0.000 |
0.014 |
0.007 |
Twist |
-0.002 |
-0.103 |
-0.189 |
0.001 |
0.007 |
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 |
0.445 |
0.014 |
-0.097 |
-0.054 |
0.005 |
0.013 |
Slide |
0.014 |
2.406 |
1.015 |
0.001 |
0.022 |
-0.129 |
Rise |
-0.096 |
1.015 |
7.762 |
0.008 |
-0.097 |
-0.227 |
Tilt |
-0.054 |
0.001 |
0.008 |
0.026 |
0.001 |
0.001 |
Roll |
0.005 |
0.022 |
-0.097 |
0.001 |
0.016 |
0.011 |
Twist |
0.013 |
-0.129 |
-0.227 |
0.001 |
0.011 |
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 |
0.931 |
-0.062 |
-0.386 |
-0.101 |
0.021 |
0.051 |
Slide |
-0.062 |
2.267 |
0.946 |
-0.002 |
0.017 |
-0.086 |
Rise |
-0.386 |
0.946 |
7.519 |
-0.020 |
-0.080 |
-0.206 |
Tilt |
-0.101 |
-0.002 |
-0.020 |
0.031 |
0.002 |
-0.001 |
Roll |
0.021 |
0.017 |
-0.080 |
0.002 |
0.017 |
0.009 |
Twist |
0.051 |
-0.086 |
-0.206 |
-0.001 |
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 |
0.753 |
0.015 |
-0.302 |
-0.075 |
0.004 |
-0.001 |
Slide |
0.015 |
3.026 |
0.518 |
-0.006 |
0.025 |
-0.130 |
Rise |
-0.302 |
0.518 |
8.228 |
-0.049 |
-0.117 |
-0.235 |
Tilt |
-0.075 |
-0.006 |
-0.049 |
0.030 |
0.001 |
-0.001 |
Roll |
0.004 |
0.025 |
-0.117 |
0.001 |
0.018 |
0.009 |
Twist |
-0.001 |
-0.130 |
-0.235 |
-0.001 |
0.009 |
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)