| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.959 |
0.254 |
0.444 |
-0.033 |
0.006 |
0.029 |
Slide |
0.254 |
4.114 |
3.089 |
-0.000 |
0.008 |
-0.085 |
Rise |
0.444 |
3.089 |
11.159 |
0.069 |
0.076 |
-0.223 |
Tilt |
-0.033 |
-0.000 |
0.069 |
0.040 |
0.004 |
0.006 |
Roll |
0.006 |
0.008 |
0.076 |
0.004 |
0.024 |
0.009 |
Twist |
0.029 |
-0.085 |
-0.223 |
0.006 |
0.009 |
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 |
1.720 |
0.625 |
0.406 |
-0.056 |
0.040 |
0.073 |
Slide |
0.625 |
2.646 |
1.773 |
-0.023 |
-0.026 |
-0.104 |
Rise |
0.406 |
1.773 |
9.331 |
-0.232 |
-0.008 |
-0.214 |
Tilt |
-0.056 |
-0.023 |
-0.232 |
0.047 |
0.001 |
0.010 |
Roll |
0.040 |
-0.026 |
-0.008 |
0.001 |
0.021 |
0.006 |
Twist |
0.073 |
-0.104 |
-0.214 |
0.010 |
0.006 |
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 |
1.770 |
-0.259 |
-0.106 |
-0.006 |
0.002 |
-0.030 |
Slide |
-0.259 |
4.882 |
2.912 |
-0.018 |
-0.059 |
-0.091 |
Rise |
-0.106 |
2.912 |
10.720 |
-0.034 |
0.052 |
-0.149 |
Tilt |
-0.006 |
-0.018 |
-0.034 |
0.046 |
-0.000 |
-0.002 |
Roll |
0.002 |
-0.059 |
0.052 |
-0.000 |
0.029 |
0.012 |
Twist |
-0.030 |
-0.091 |
-0.149 |
-0.002 |
0.012 |
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 |
1.891 |
-0.317 |
-0.154 |
0.002 |
-0.010 |
-0.018 |
Slide |
-0.317 |
4.845 |
3.183 |
-0.027 |
-0.089 |
-0.121 |
Rise |
-0.154 |
3.183 |
11.444 |
-0.035 |
0.046 |
-0.159 |
Tilt |
0.002 |
-0.027 |
-0.035 |
0.046 |
0.001 |
-0.001 |
Roll |
-0.010 |
-0.089 |
0.046 |
0.001 |
0.030 |
0.009 |
Twist |
-0.018 |
-0.121 |
-0.159 |
-0.001 |
0.009 |
0.038 |
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 |
1.313 |
-0.100 |
0.032 |
0.010 |
0.015 |
-0.003 |
Slide |
-0.100 |
4.614 |
2.862 |
-0.011 |
-0.058 |
-0.082 |
Rise |
0.032 |
2.862 |
10.871 |
-0.005 |
0.056 |
-0.164 |
Tilt |
0.010 |
-0.011 |
-0.005 |
0.043 |
-0.001 |
0.001 |
Roll |
0.015 |
-0.058 |
0.056 |
-0.001 |
0.027 |
0.012 |
Twist |
-0.003 |
-0.082 |
-0.164 |
0.001 |
0.012 |
0.038 |
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 |
0.838 |
-0.065 |
0.509 |
-0.069 |
-0.005 |
-0.024 |
Slide |
-0.065 |
2.732 |
0.604 |
-0.016 |
0.018 |
-0.106 |
Rise |
0.509 |
0.604 |
8.065 |
-0.018 |
-0.090 |
-0.229 |
Tilt |
-0.069 |
-0.016 |
-0.018 |
0.029 |
-0.001 |
-0.000 |
Roll |
-0.005 |
0.018 |
-0.090 |
-0.001 |
0.019 |
0.010 |
Twist |
-0.024 |
-0.106 |
-0.229 |
-0.000 |
0.010 |
0.023 |
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 |
1.130 |
-0.356 |
-0.119 |
-0.118 |
0.013 |
0.020 |
Slide |
-0.356 |
2.507 |
1.206 |
-0.011 |
0.002 |
-0.101 |
Rise |
-0.119 |
1.206 |
7.245 |
-0.010 |
-0.090 |
-0.229 |
Tilt |
-0.118 |
-0.011 |
-0.010 |
0.030 |
-0.001 |
-0.001 |
Roll |
0.013 |
0.002 |
-0.090 |
-0.001 |
0.017 |
0.006 |
Twist |
0.020 |
-0.101 |
-0.229 |
-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 |
1.539 |
-0.566 |
-0.357 |
-0.047 |
-0.030 |
-0.076 |
Slide |
-0.566 |
2.602 |
1.643 |
-0.012 |
-0.036 |
-0.121 |
Rise |
-0.357 |
1.643 |
9.674 |
0.229 |
-0.006 |
-0.212 |
Tilt |
-0.047 |
-0.012 |
0.229 |
0.049 |
-0.002 |
-0.009 |
Roll |
-0.030 |
-0.036 |
-0.006 |
-0.002 |
0.022 |
0.008 |
Twist |
-0.076 |
-0.121 |
-0.212 |
-0.009 |
0.008 |
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 |
1.778 |
0.905 |
0.649 |
-0.097 |
0.031 |
-0.062 |
Slide |
0.905 |
2.379 |
1.317 |
0.023 |
-0.034 |
-0.120 |
Rise |
0.649 |
1.317 |
10.283 |
-0.317 |
-0.022 |
-0.164 |
Tilt |
-0.097 |
0.023 |
-0.317 |
0.046 |
-0.003 |
-0.000 |
Roll |
0.031 |
-0.034 |
-0.022 |
-0.003 |
0.025 |
0.013 |
Twist |
-0.062 |
-0.120 |
-0.164 |
-0.000 |
0.013 |
0.041 |
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 |
0.737 |
0.402 |
-0.081 |
0.012 |
-0.064 |
Slide |
0.737 |
2.614 |
1.221 |
0.025 |
-0.038 |
-0.125 |
Rise |
0.402 |
1.221 |
10.503 |
-0.316 |
-0.025 |
-0.138 |
Tilt |
-0.081 |
0.025 |
-0.316 |
0.046 |
-0.002 |
-0.001 |
Roll |
0.012 |
-0.038 |
-0.025 |
-0.002 |
0.021 |
0.010 |
Twist |
-0.064 |
-0.125 |
-0.138 |
-0.001 |
0.010 |
0.038 |
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 |
1.295 |
0.165 |
0.077 |
-0.131 |
-0.003 |
-0.035 |
Slide |
0.165 |
3.413 |
2.685 |
-0.007 |
0.058 |
-0.124 |
Rise |
0.077 |
2.685 |
11.679 |
0.009 |
0.137 |
-0.237 |
Tilt |
-0.131 |
-0.007 |
0.009 |
0.044 |
0.000 |
0.002 |
Roll |
-0.003 |
0.058 |
0.137 |
0.000 |
0.023 |
0.004 |
Twist |
-0.035 |
-0.124 |
-0.237 |
0.002 |
0.004 |
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 |
0.680 |
0.035 |
0.063 |
-0.048 |
0.003 |
-0.008 |
Slide |
0.035 |
2.073 |
1.272 |
-0.001 |
0.034 |
-0.113 |
Rise |
0.063 |
1.272 |
6.447 |
-0.013 |
-0.045 |
-0.181 |
Tilt |
-0.048 |
-0.001 |
-0.013 |
0.025 |
0.000 |
0.000 |
Roll |
0.003 |
0.034 |
-0.045 |
0.000 |
0.014 |
0.007 |
Twist |
-0.008 |
-0.113 |
-0.181 |
0.000 |
0.007 |
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 |
0.482 |
-0.063 |
0.009 |
-0.049 |
0.001 |
0.010 |
Slide |
-0.063 |
2.203 |
0.944 |
-0.004 |
0.027 |
-0.106 |
Rise |
0.009 |
0.944 |
7.392 |
-0.002 |
-0.076 |
-0.210 |
Tilt |
-0.049 |
-0.004 |
-0.002 |
0.026 |
0.000 |
0.000 |
Roll |
0.001 |
0.027 |
-0.076 |
0.000 |
0.015 |
0.010 |
Twist |
0.010 |
-0.106 |
-0.210 |
0.000 |
0.010 |
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 |
0.986 |
-0.183 |
-0.252 |
-0.093 |
0.011 |
0.046 |
Slide |
-0.183 |
2.274 |
1.037 |
-0.002 |
0.023 |
-0.070 |
Rise |
-0.252 |
1.037 |
6.984 |
-0.030 |
-0.068 |
-0.202 |
Tilt |
-0.093 |
-0.002 |
-0.030 |
0.030 |
0.003 |
0.000 |
Roll |
0.011 |
0.023 |
-0.068 |
0.003 |
0.017 |
0.009 |
Twist |
0.046 |
-0.070 |
-0.202 |
0.000 |
0.009 |
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 |
0.738 |
-0.026 |
-0.278 |
-0.074 |
0.000 |
0.004 |
Slide |
-0.026 |
2.824 |
0.771 |
-0.010 |
0.025 |
-0.108 |
Rise |
-0.278 |
0.771 |
8.063 |
-0.028 |
-0.138 |
-0.262 |
Tilt |
-0.074 |
-0.010 |
-0.028 |
0.030 |
0.000 |
-0.000 |
Roll |
0.000 |
0.025 |
-0.138 |
0.000 |
0.021 |
0.011 |
Twist |
0.004 |
-0.108 |
-0.262 |
-0.000 |
0.011 |
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)