| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.488 |
0.286 |
0.000 |
0.003 |
-0.023 |
0.017 |
Slide |
0.286 |
4.619 |
2.734 |
0.018 |
-0.014 |
-0.096 |
Rise |
0.000 |
2.734 |
11.023 |
-0.010 |
0.073 |
-0.139 |
Tilt |
0.003 |
0.018 |
-0.010 |
0.046 |
0.000 |
-0.000 |
Roll |
-0.023 |
-0.014 |
0.073 |
0.000 |
0.029 |
0.008 |
Twist |
0.017 |
-0.096 |
-0.139 |
-0.000 |
0.008 |
0.045 |
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 |
1.366 |
0.204 |
-0.628 |
-0.148 |
-0.060 |
-0.074 |
Slide |
0.204 |
1.657 |
2.108 |
0.038 |
0.013 |
-0.104 |
Rise |
-0.628 |
2.108 |
9.128 |
0.304 |
0.006 |
-0.172 |
Tilt |
-0.148 |
0.038 |
0.304 |
0.050 |
0.004 |
-0.001 |
Roll |
-0.060 |
0.013 |
0.006 |
0.004 |
0.020 |
0.006 |
Twist |
-0.074 |
-0.104 |
-0.172 |
-0.001 |
0.006 |
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 |
1.531 |
-0.694 |
-0.473 |
-0.053 |
-0.027 |
-0.080 |
Slide |
-0.694 |
2.525 |
1.486 |
-0.013 |
-0.043 |
-0.099 |
Rise |
-0.473 |
1.486 |
10.830 |
0.272 |
-0.003 |
-0.228 |
Tilt |
-0.053 |
-0.013 |
0.272 |
0.049 |
-0.000 |
-0.009 |
Roll |
-0.027 |
-0.043 |
-0.003 |
-0.000 |
0.022 |
0.010 |
Twist |
-0.080 |
-0.099 |
-0.228 |
-0.009 |
0.010 |
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 |
1.091 |
0.072 |
-0.249 |
-0.061 |
-0.046 |
-0.041 |
Slide |
0.072 |
1.926 |
1.727 |
0.025 |
-0.048 |
-0.085 |
Rise |
-0.249 |
1.727 |
7.958 |
0.210 |
-0.040 |
-0.236 |
Tilt |
-0.061 |
0.025 |
0.210 |
0.045 |
-0.004 |
-0.010 |
Roll |
-0.046 |
-0.048 |
-0.040 |
-0.004 |
0.021 |
0.006 |
Twist |
-0.041 |
-0.085 |
-0.236 |
-0.010 |
0.006 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.910 |
-0.099 |
-0.216 |
-0.052 |
-0.048 |
-0.055 |
Slide |
-0.099 |
2.298 |
1.671 |
0.025 |
-0.042 |
-0.121 |
Rise |
-0.217 |
1.671 |
9.534 |
0.243 |
-0.057 |
-0.277 |
Tilt |
-0.052 |
0.025 |
0.243 |
0.045 |
-0.004 |
-0.011 |
Roll |
-0.048 |
-0.042 |
-0.057 |
-0.004 |
0.019 |
0.010 |
Twist |
-0.055 |
-0.121 |
-0.277 |
-0.011 |
0.010 |
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 |
1.019 |
0.214 |
-0.279 |
-0.035 |
-0.025 |
0.003 |
Slide |
0.214 |
3.606 |
2.797 |
0.027 |
0.019 |
-0.065 |
Rise |
-0.279 |
2.797 |
10.333 |
-0.008 |
0.087 |
-0.195 |
Tilt |
-0.035 |
0.027 |
-0.008 |
0.041 |
-0.004 |
-0.004 |
Roll |
-0.025 |
0.019 |
0.087 |
-0.004 |
0.024 |
0.009 |
Twist |
0.003 |
-0.065 |
-0.195 |
-0.004 |
0.009 |
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 |
0.447 |
0.040 |
-0.175 |
-0.050 |
-0.006 |
-0.009 |
Slide |
0.040 |
2.089 |
1.175 |
0.018 |
0.024 |
-0.111 |
Rise |
-0.175 |
1.175 |
7.857 |
0.017 |
-0.086 |
-0.221 |
Tilt |
-0.050 |
0.018 |
0.017 |
0.025 |
-0.001 |
-0.001 |
Roll |
-0.006 |
0.024 |
-0.086 |
-0.001 |
0.015 |
0.009 |
Twist |
-0.009 |
-0.111 |
-0.221 |
-0.001 |
0.009 |
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 |
1.435 |
-0.684 |
-0.791 |
-0.098 |
-0.035 |
0.018 |
Slide |
-0.684 |
2.198 |
1.343 |
-0.007 |
-0.017 |
-0.107 |
Rise |
-0.791 |
1.343 |
9.623 |
0.222 |
-0.018 |
-0.169 |
Tilt |
-0.098 |
-0.007 |
0.222 |
0.040 |
0.003 |
-0.002 |
Roll |
-0.035 |
-0.017 |
-0.018 |
0.003 |
0.022 |
0.008 |
Twist |
0.018 |
-0.107 |
-0.169 |
-0.002 |
0.008 |
0.032 |
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 |
1.598 |
-0.670 |
-0.826 |
-0.104 |
-0.041 |
0.039 |
Slide |
-0.670 |
2.016 |
1.190 |
-0.001 |
-0.008 |
-0.121 |
Rise |
-0.826 |
1.190 |
9.005 |
0.258 |
-0.010 |
-0.180 |
Tilt |
-0.104 |
-0.001 |
0.258 |
0.042 |
0.003 |
-0.003 |
Roll |
-0.041 |
-0.008 |
-0.010 |
0.003 |
0.020 |
0.007 |
Twist |
0.039 |
-0.121 |
-0.180 |
-0.003 |
0.007 |
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 |
1.273 |
-0.483 |
-0.939 |
-0.110 |
-0.026 |
-0.012 |
Slide |
-0.483 |
2.033 |
1.203 |
0.024 |
-0.018 |
-0.099 |
Rise |
-0.939 |
1.204 |
10.243 |
0.337 |
-0.010 |
-0.175 |
Tilt |
-0.110 |
0.024 |
0.337 |
0.046 |
0.005 |
-0.003 |
Roll |
-0.026 |
-0.018 |
-0.010 |
0.005 |
0.022 |
0.010 |
Twist |
-0.012 |
-0.099 |
-0.175 |
-0.003 |
0.010 |
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 |
0.759 |
0.252 |
-0.400 |
-0.066 |
-0.002 |
0.001 |
Slide |
0.252 |
2.749 |
0.794 |
-0.014 |
-0.002 |
-0.146 |
Rise |
-0.400 |
0.794 |
7.787 |
-0.003 |
-0.074 |
-0.195 |
Tilt |
-0.066 |
-0.014 |
-0.003 |
0.027 |
-0.000 |
-0.001 |
Roll |
-0.002 |
-0.002 |
-0.074 |
-0.000 |
0.016 |
0.006 |
Twist |
0.001 |
-0.146 |
-0.195 |
-0.001 |
0.006 |
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 |
0.852 |
0.058 |
-0.309 |
-0.076 |
0.012 |
0.025 |
Slide |
0.058 |
2.251 |
1.350 |
-0.003 |
0.017 |
-0.088 |
Rise |
-0.310 |
1.350 |
6.690 |
0.012 |
-0.082 |
-0.228 |
Tilt |
-0.076 |
-0.003 |
0.012 |
0.027 |
0.000 |
-0.003 |
Roll |
0.012 |
0.017 |
-0.082 |
0.000 |
0.016 |
0.008 |
Twist |
0.025 |
-0.088 |
-0.228 |
-0.003 |
0.008 |
0.022 |
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 |
1.957 |
-1.077 |
-0.702 |
-0.024 |
-0.005 |
-0.016 |
Slide |
-1.077 |
3.121 |
1.679 |
-0.001 |
-0.054 |
-0.182 |
Rise |
-0.702 |
1.679 |
9.602 |
0.221 |
-0.027 |
-0.211 |
Tilt |
-0.024 |
-0.001 |
0.221 |
0.042 |
-0.001 |
-0.008 |
Roll |
-0.005 |
-0.054 |
-0.027 |
-0.001 |
0.022 |
0.010 |
Twist |
-0.016 |
-0.182 |
-0.211 |
-0.008 |
0.010 |
0.044 |
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)