| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.446 |
0.378 |
0.583 |
-0.047 |
0.007 |
0.047 |
Slide |
0.378 |
2.608 |
0.929 |
-0.018 |
-0.064 |
-0.098 |
Rise |
0.583 |
0.929 |
10.494 |
-0.276 |
-0.021 |
-0.151 |
Tilt |
-0.047 |
-0.018 |
-0.276 |
0.045 |
-0.001 |
0.006 |
Roll |
0.007 |
-0.064 |
-0.021 |
-0.001 |
0.021 |
0.009 |
Twist |
0.047 |
-0.098 |
-0.151 |
0.006 |
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 |
1.827 |
0.595 |
0.560 |
-0.045 |
0.012 |
0.063 |
Slide |
0.595 |
3.363 |
1.456 |
-0.009 |
-0.070 |
-0.149 |
Rise |
0.560 |
1.456 |
10.456 |
-0.303 |
-0.061 |
-0.207 |
Tilt |
-0.045 |
-0.009 |
-0.303 |
0.049 |
0.001 |
0.006 |
Roll |
0.012 |
-0.070 |
-0.061 |
0.001 |
0.025 |
0.010 |
Twist |
0.063 |
-0.149 |
-0.207 |
0.006 |
0.010 |
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 |
1.489 |
0.624 |
0.435 |
-0.025 |
-0.007 |
0.050 |
Slide |
0.624 |
2.671 |
1.109 |
0.018 |
-0.059 |
-0.124 |
Rise |
0.435 |
1.109 |
10.788 |
-0.256 |
-0.016 |
-0.203 |
Tilt |
-0.025 |
0.018 |
-0.256 |
0.044 |
-0.001 |
0.007 |
Roll |
-0.007 |
-0.059 |
-0.016 |
-0.001 |
0.020 |
0.007 |
Twist |
0.050 |
-0.124 |
-0.203 |
0.007 |
0.007 |
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 |
1.690 |
0.233 |
0.257 |
-0.066 |
0.006 |
0.048 |
Slide |
0.233 |
4.079 |
2.778 |
-0.001 |
0.072 |
-0.194 |
Rise |
0.257 |
2.778 |
10.373 |
0.048 |
0.108 |
-0.204 |
Tilt |
-0.066 |
-0.001 |
0.048 |
0.047 |
0.005 |
0.004 |
Roll |
0.006 |
0.072 |
0.108 |
0.005 |
0.028 |
0.004 |
Twist |
0.048 |
-0.194 |
-0.204 |
0.004 |
0.004 |
0.053 |
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 |
1.806 |
0.230 |
0.556 |
-0.080 |
0.049 |
0.083 |
Slide |
0.230 |
2.373 |
1.584 |
-0.003 |
-0.043 |
-0.112 |
Rise |
0.556 |
1.584 |
8.588 |
-0.249 |
-0.019 |
-0.173 |
Tilt |
-0.080 |
-0.003 |
-0.249 |
0.049 |
0.002 |
0.006 |
Roll |
0.049 |
-0.043 |
-0.019 |
0.002 |
0.025 |
0.006 |
Twist |
0.083 |
-0.112 |
-0.173 |
0.006 |
0.006 |
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 |
0.801 |
-0.061 |
0.310 |
-0.067 |
0.009 |
-0.005 |
Slide |
-0.061 |
2.682 |
0.602 |
0.011 |
0.005 |
-0.133 |
Rise |
0.310 |
0.602 |
8.147 |
0.010 |
-0.111 |
-0.224 |
Tilt |
-0.067 |
0.011 |
0.010 |
0.028 |
-0.002 |
0.000 |
Roll |
0.009 |
0.005 |
-0.111 |
-0.002 |
0.018 |
0.010 |
Twist |
-0.005 |
-0.133 |
-0.224 |
0.000 |
0.010 |
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 |
1.076 |
-0.299 |
-0.074 |
-0.119 |
0.003 |
0.003 |
Slide |
-0.299 |
3.112 |
0.662 |
-0.017 |
0.008 |
-0.134 |
Rise |
-0.074 |
0.662 |
7.918 |
-0.023 |
-0.066 |
-0.221 |
Tilt |
-0.119 |
-0.017 |
-0.023 |
0.031 |
-0.001 |
0.001 |
Roll |
0.003 |
0.008 |
-0.066 |
-0.001 |
0.016 |
0.007 |
Twist |
0.003 |
-0.134 |
-0.221 |
0.001 |
0.007 |
0.026 |
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 |
1.729 |
-0.503 |
-0.460 |
-0.077 |
-0.030 |
-0.080 |
Slide |
-0.503 |
2.856 |
1.709 |
0.001 |
-0.048 |
-0.132 |
Rise |
-0.460 |
1.709 |
7.812 |
0.168 |
-0.044 |
-0.184 |
Tilt |
-0.077 |
0.001 |
0.168 |
0.044 |
-0.002 |
-0.005 |
Roll |
-0.030 |
-0.048 |
-0.044 |
-0.002 |
0.025 |
0.007 |
Twist |
-0.080 |
-0.132 |
-0.184 |
-0.005 |
0.007 |
0.042 |
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 |
1.361 |
0.414 |
0.792 |
-0.119 |
0.018 |
-0.003 |
Slide |
0.414 |
2.576 |
1.101 |
0.035 |
-0.040 |
-0.127 |
Rise |
0.792 |
1.101 |
10.925 |
-0.368 |
-0.018 |
-0.203 |
Tilt |
-0.119 |
0.035 |
-0.368 |
0.050 |
-0.004 |
0.002 |
Roll |
0.018 |
-0.040 |
-0.018 |
-0.004 |
0.024 |
0.012 |
Twist |
-0.003 |
-0.127 |
-0.203 |
0.002 |
0.012 |
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 |
2.205 |
0.353 |
0.775 |
-0.137 |
0.022 |
0.002 |
Slide |
0.353 |
2.292 |
1.389 |
0.029 |
-0.012 |
-0.164 |
Rise |
0.775 |
1.389 |
8.419 |
-0.246 |
-0.021 |
-0.113 |
Tilt |
-0.137 |
0.029 |
-0.246 |
0.049 |
-0.002 |
-0.002 |
Roll |
0.022 |
-0.012 |
-0.021 |
-0.002 |
0.025 |
0.006 |
Twist |
0.002 |
-0.164 |
-0.113 |
-0.002 |
0.006 |
0.042 |
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 |
0.449 |
0.435 |
-0.127 |
0.023 |
0.008 |
Slide |
0.449 |
2.080 |
1.585 |
0.028 |
0.000 |
-0.098 |
Rise |
0.435 |
1.585 |
10.288 |
-0.309 |
0.010 |
-0.187 |
Tilt |
-0.127 |
0.028 |
-0.309 |
0.054 |
-0.003 |
0.001 |
Roll |
0.023 |
0.000 |
0.010 |
-0.003 |
0.020 |
0.006 |
Twist |
0.008 |
-0.098 |
-0.187 |
0.001 |
0.006 |
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 |
1.853 |
-0.149 |
-0.178 |
-0.056 |
0.002 |
-0.090 |
Slide |
-0.149 |
4.438 |
3.332 |
0.038 |
0.025 |
-0.119 |
Rise |
-0.178 |
3.332 |
11.118 |
-0.014 |
0.100 |
-0.185 |
Tilt |
-0.056 |
0.038 |
-0.014 |
0.045 |
-0.003 |
-0.004 |
Roll |
0.002 |
0.025 |
0.100 |
-0.003 |
0.029 |
0.005 |
Twist |
-0.090 |
-0.119 |
-0.185 |
-0.004 |
0.005 |
0.043 |
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 |
1.158 |
-0.436 |
-0.754 |
-0.098 |
-0.007 |
-0.015 |
Slide |
-0.436 |
2.578 |
0.869 |
-0.027 |
-0.046 |
-0.130 |
Rise |
-0.754 |
0.869 |
11.151 |
0.344 |
0.012 |
-0.147 |
Tilt |
-0.098 |
-0.027 |
0.344 |
0.047 |
0.005 |
0.001 |
Roll |
-0.007 |
-0.046 |
0.012 |
0.005 |
0.023 |
0.010 |
Twist |
-0.015 |
-0.130 |
-0.147 |
0.001 |
0.010 |
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 |
0.802 |
0.145 |
-0.300 |
-0.073 |
-0.008 |
0.008 |
Slide |
0.145 |
2.956 |
0.476 |
-0.011 |
0.017 |
-0.130 |
Rise |
-0.300 |
0.476 |
8.234 |
-0.016 |
-0.113 |
-0.232 |
Tilt |
-0.073 |
-0.011 |
-0.016 |
0.031 |
0.000 |
-0.002 |
Roll |
-0.008 |
0.017 |
-0.113 |
0.000 |
0.019 |
0.010 |
Twist |
0.008 |
-0.130 |
-0.232 |
-0.002 |
0.010 |
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 |
1.662 |
-0.946 |
-0.558 |
-0.031 |
-0.008 |
-0.035 |
Slide |
-0.946 |
3.490 |
0.836 |
-0.013 |
-0.078 |
-0.169 |
Rise |
-0.558 |
0.836 |
11.762 |
0.294 |
-0.002 |
-0.203 |
Tilt |
-0.031 |
-0.013 |
0.294 |
0.049 |
0.001 |
-0.008 |
Roll |
-0.008 |
-0.078 |
-0.002 |
0.001 |
0.022 |
0.010 |
Twist |
-0.035 |
-0.169 |
-0.203 |
-0.008 |
0.010 |
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)