| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.549 |
0.000 |
0.000 |
-0.026 |
0.000 |
0.000 |
Slide |
0.000 |
3.366 |
1.398 |
0.000 |
-0.104 |
-0.083 |
Rise |
0.000 |
1.399 |
2.339 |
0.000 |
-0.086 |
-0.194 |
Tilt |
-0.026 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.104 |
-0.086 |
0.000 |
0.033 |
0.006 |
Twist |
0.000 |
-0.083 |
-0.194 |
0.000 |
0.006 |
0.019 |
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 |
1.479 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
Slide |
0.000 |
3.211 |
1.812 |
0.000 |
-0.055 |
-0.132 |
Rise |
0.000 |
1.815 |
3.087 |
0.000 |
-0.060 |
-0.257 |
Tilt |
-0.073 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.060 |
0.000 |
0.029 |
0.004 |
Twist |
0.000 |
-0.133 |
-0.257 |
0.000 |
0.004 |
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 |
2.054 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
3.581 |
1.783 |
0.000 |
-0.069 |
-0.109 |
Rise |
0.000 |
1.778 |
2.929 |
0.000 |
-0.080 |
-0.236 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.069 |
-0.080 |
0.000 |
0.035 |
0.006 |
Twist |
0.000 |
-0.108 |
-0.236 |
0.000 |
0.006 |
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 |
2.135 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
3.602 |
1.914 |
0.000 |
-0.036 |
-0.120 |
Rise |
0.000 |
1.914 |
2.998 |
0.000 |
-0.049 |
-0.244 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.049 |
0.000 |
0.036 |
0.004 |
Twist |
0.000 |
-0.120 |
-0.244 |
0.000 |
0.004 |
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 |
1.976 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
3.667 |
2.032 |
0.000 |
-0.030 |
-0.125 |
Rise |
0.000 |
2.038 |
3.307 |
0.000 |
-0.031 |
-0.259 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.031 |
0.000 |
0.035 |
0.003 |
Twist |
0.000 |
-0.126 |
-0.259 |
0.000 |
0.003 |
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 |
0.939 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
2.706 |
1.413 |
0.000 |
-0.042 |
-0.116 |
Rise |
0.000 |
1.412 |
2.460 |
0.000 |
-0.038 |
-0.212 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.038 |
0.000 |
0.026 |
0.004 |
Twist |
0.000 |
-0.116 |
-0.212 |
0.000 |
0.004 |
0.021 |
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 |
1.432 |
0.000 |
0.000 |
-0.058 |
0.000 |
0.000 |
Slide |
0.000 |
3.059 |
1.504 |
0.000 |
-0.078 |
-0.103 |
Rise |
0.000 |
1.502 |
2.708 |
0.000 |
-0.075 |
-0.224 |
Tilt |
-0.058 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.078 |
-0.075 |
0.000 |
0.031 |
0.005 |
Twist |
0.000 |
-0.103 |
-0.223 |
0.000 |
0.005 |
0.021 |
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 |
1.849 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
3.499 |
1.646 |
0.000 |
-0.071 |
-0.105 |
Rise |
0.000 |
1.646 |
2.614 |
0.000 |
-0.058 |
-0.215 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.071 |
-0.058 |
0.000 |
0.031 |
0.004 |
Twist |
0.000 |
-0.105 |
-0.215 |
0.000 |
0.004 |
0.020 |
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 |
1.753 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
3.175 |
1.550 |
0.000 |
-0.064 |
-0.098 |
Rise |
0.000 |
1.551 |
2.822 |
0.000 |
-0.071 |
-0.231 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.064 |
-0.071 |
0.000 |
0.033 |
0.005 |
Twist |
0.000 |
-0.098 |
-0.231 |
0.000 |
0.005 |
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 |
1.911 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
3.471 |
1.795 |
0.000 |
-0.040 |
-0.116 |
Rise |
0.000 |
1.795 |
2.900 |
0.000 |
-0.043 |
-0.238 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.043 |
0.000 |
0.033 |
0.003 |
Twist |
0.000 |
-0.116 |
-0.238 |
0.000 |
0.003 |
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 |
2.243 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
3.769 |
1.933 |
0.000 |
-0.029 |
-0.108 |
Rise |
0.000 |
1.933 |
3.300 |
0.000 |
-0.036 |
-0.258 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.029 |
-0.036 |
0.000 |
0.035 |
0.003 |
Twist |
0.000 |
-0.108 |
-0.258 |
0.000 |
0.003 |
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 |
0.826 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
2.941 |
1.441 |
0.000 |
-0.062 |
-0.110 |
Rise |
0.000 |
1.442 |
2.632 |
0.000 |
-0.043 |
-0.223 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
-0.043 |
0.000 |
0.026 |
0.002 |
Twist |
0.000 |
-0.110 |
-0.223 |
0.000 |
0.002 |
0.021 |
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 |
0.818 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
2.788 |
1.181 |
0.000 |
-0.059 |
-0.093 |
Rise |
0.000 |
1.180 |
2.715 |
0.000 |
-0.058 |
-0.235 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
-0.058 |
0.000 |
0.027 |
0.004 |
Twist |
0.000 |
-0.093 |
-0.234 |
0.000 |
0.004 |
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 |
1.048 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.204 |
1.276 |
0.000 |
-0.058 |
-0.087 |
Rise |
0.000 |
1.275 |
2.792 |
0.000 |
-0.065 |
-0.228 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.058 |
-0.065 |
0.000 |
0.027 |
0.004 |
Twist |
0.000 |
-0.086 |
-0.228 |
0.000 |
0.004 |
0.021 |
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 |
1.586 |
0.000 |
0.000 |
0.018 |
0.000 |
0.000 |
Slide |
0.000 |
6.061 |
2.481 |
0.000 |
-0.041 |
-0.089 |
Rise |
0.000 |
2.476 |
3.697 |
0.000 |
-0.013 |
-0.295 |
Tilt |
0.018 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.041 |
-0.013 |
0.000 |
0.038 |
0.003 |
Twist |
0.000 |
-0.088 |
-0.295 |
0.000 |
0.003 |
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 |
1.694 |
0.000 |
0.000 |
-0.005 |
0.000 |
0.000 |
Slide |
0.000 |
5.549 |
2.245 |
0.000 |
-0.015 |
-0.082 |
Rise |
0.000 |
2.253 |
3.411 |
0.000 |
0.026 |
-0.276 |
Tilt |
-0.005 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
0.026 |
0.000 |
0.033 |
0.000 |
Twist |
0.000 |
-0.083 |
-0.276 |
0.000 |
0.000 |
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 |
1.286 |
0.000 |
0.000 |
0.010 |
0.000 |
0.000 |
Slide |
0.000 |
5.712 |
1.899 |
0.000 |
-0.107 |
-0.061 |
Rise |
0.000 |
1.896 |
3.119 |
0.000 |
-0.071 |
-0.267 |
Tilt |
0.010 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.107 |
-0.071 |
0.000 |
0.035 |
0.006 |
Twist |
0.000 |
-0.061 |
-0.266 |
0.000 |
0.006 |
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 |
0.767 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
3.151 |
0.769 |
0.000 |
0.025 |
-0.091 |
Rise |
0.000 |
0.768 |
2.784 |
0.000 |
-0.150 |
-0.225 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.025 |
-0.150 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.091 |
-0.225 |
0.000 |
0.009 |
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 |
0.590 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
3.220 |
0.898 |
0.000 |
0.039 |
-0.094 |
Rise |
0.000 |
0.898 |
2.448 |
0.000 |
-0.082 |
-0.202 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.039 |
-0.082 |
0.000 |
0.021 |
0.004 |
Twist |
0.000 |
-0.094 |
-0.202 |
0.000 |
0.004 |
0.019 |
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 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
3.311 |
0.831 |
0.000 |
0.039 |
-0.086 |
Rise |
0.000 |
0.830 |
2.684 |
0.000 |
-0.127 |
-0.222 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.039 |
-0.127 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.086 |
-0.222 |
0.000 |
0.008 |
0.021 |
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 |
1.039 |
0.000 |
0.000 |
-0.096 |
0.000 |
0.000 |
Slide |
0.000 |
2.044 |
1.148 |
0.000 |
-0.009 |
-0.090 |
Rise |
0.000 |
1.148 |
2.364 |
0.000 |
-0.053 |
-0.203 |
Tilt |
-0.096 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
-0.053 |
0.000 |
0.028 |
0.003 |
Twist |
0.000 |
-0.090 |
-0.203 |
0.000 |
0.003 |
0.020 |
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 |
0.904 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
2.172 |
1.065 |
0.000 |
-0.021 |
-0.089 |
Rise |
0.000 |
1.066 |
2.423 |
0.000 |
-0.062 |
-0.208 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.062 |
0.000 |
0.025 |
0.004 |
Twist |
0.000 |
-0.089 |
-0.208 |
0.000 |
0.004 |
0.020 |
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 |
1.382 |
0.000 |
0.000 |
-0.125 |
0.000 |
0.000 |
Slide |
0.000 |
1.685 |
1.186 |
0.000 |
-0.023 |
-0.076 |
Rise |
0.000 |
1.187 |
2.759 |
0.000 |
-0.069 |
-0.225 |
Tilt |
-0.125 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.023 |
-0.069 |
0.000 |
0.027 |
0.004 |
Twist |
0.000 |
-0.077 |
-0.225 |
0.000 |
0.004 |
0.021 |
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 |
1.195 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
1.870 |
1.120 |
0.000 |
0.003 |
-0.077 |
Rise |
0.000 |
1.120 |
2.550 |
0.000 |
-0.055 |
-0.223 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.055 |
0.000 |
0.026 |
0.003 |
Twist |
0.000 |
-0.077 |
-0.223 |
0.000 |
0.003 |
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 |
0.848 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
2.362 |
1.104 |
0.000 |
-0.040 |
-0.095 |
Rise |
0.000 |
1.102 |
2.568 |
0.000 |
-0.069 |
-0.223 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.069 |
0.000 |
0.025 |
0.004 |
Twist |
0.000 |
-0.095 |
-0.223 |
0.000 |
0.004 |
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 |
0.999 |
0.000 |
0.000 |
-0.130 |
0.000 |
0.000 |
Slide |
0.000 |
1.916 |
1.075 |
0.000 |
-0.040 |
-0.087 |
Rise |
0.000 |
1.074 |
2.405 |
0.000 |
-0.063 |
-0.204 |
Tilt |
-0.130 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.063 |
0.000 |
0.027 |
0.003 |
Twist |
0.000 |
-0.087 |
-0.204 |
0.000 |
0.003 |
0.020 |
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 |
0.953 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
Slide |
0.000 |
3.636 |
1.025 |
0.000 |
0.019 |
-0.136 |
Rise |
0.000 |
1.027 |
2.739 |
0.000 |
-0.132 |
-0.236 |
Tilt |
-0.093 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
-0.132 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.137 |
-0.236 |
0.000 |
0.008 |
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 |
1.045 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
3.731 |
0.871 |
0.000 |
0.051 |
-0.096 |
Rise |
0.000 |
0.870 |
2.689 |
0.000 |
-0.112 |
-0.221 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.051 |
-0.112 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.096 |
-0.221 |
0.000 |
0.006 |
0.021 |
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 |
0.000 |
0.000 |
-0.131 |
0.000 |
0.000 |
Slide |
0.000 |
3.451 |
0.577 |
0.000 |
0.031 |
-0.065 |
Rise |
0.000 |
0.577 |
2.778 |
0.000 |
-0.111 |
-0.218 |
Tilt |
-0.131 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.031 |
-0.111 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.065 |
-0.218 |
0.000 |
0.006 |
0.020 |
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 |
1.131 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
3.444 |
0.861 |
0.000 |
0.043 |
-0.090 |
Rise |
0.000 |
0.863 |
2.832 |
0.000 |
-0.105 |
-0.231 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.043 |
-0.105 |
0.000 |
0.024 |
0.006 |
Twist |
0.000 |
-0.090 |
-0.231 |
0.000 |
0.006 |
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 |
0.947 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
3.684 |
1.026 |
0.000 |
0.024 |
-0.134 |
Rise |
0.000 |
1.025 |
2.964 |
0.000 |
-0.122 |
-0.251 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.024 |
-0.122 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.134 |
-0.251 |
0.000 |
0.008 |
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 |
1.034 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
3.507 |
0.916 |
0.000 |
0.040 |
-0.119 |
Rise |
0.000 |
0.914 |
2.848 |
0.000 |
-0.115 |
-0.238 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.041 |
-0.115 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.118 |
-0.237 |
0.000 |
0.007 |
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 |
1.154 |
0.000 |
0.000 |
-0.134 |
0.000 |
0.000 |
Slide |
0.000 |
3.474 |
0.676 |
0.000 |
0.042 |
-0.079 |
Rise |
0.000 |
0.676 |
2.683 |
0.000 |
-0.092 |
-0.215 |
Tilt |
-0.134 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.042 |
-0.092 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.079 |
-0.215 |
0.000 |
0.005 |
0.020 |
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 |
1.468 |
0.000 |
0.000 |
-0.071 |
0.000 |
0.000 |
Slide |
0.000 |
3.449 |
1.491 |
0.000 |
-0.094 |
-0.067 |
Rise |
0.000 |
1.492 |
2.733 |
0.000 |
-0.077 |
-0.218 |
Tilt |
-0.071 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.094 |
-0.077 |
0.000 |
0.030 |
0.004 |
Twist |
0.000 |
-0.067 |
-0.218 |
0.000 |
0.004 |
0.021 |
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 |
0.784 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
2.766 |
1.006 |
0.000 |
-0.063 |
-0.098 |
Rise |
0.000 |
1.008 |
2.639 |
0.000 |
-0.093 |
-0.225 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.093 |
0.000 |
0.030 |
0.007 |
Twist |
0.000 |
-0.099 |
-0.225 |
0.000 |
0.007 |
0.021 |
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 |
2.371 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
4.097 |
1.878 |
0.000 |
0.006 |
-0.083 |
Rise |
0.000 |
1.878 |
3.184 |
0.000 |
-0.007 |
-0.249 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.007 |
0.000 |
0.036 |
0.002 |
Twist |
0.000 |
-0.083 |
-0.249 |
0.000 |
0.002 |
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 |
1.485 |
0.000 |
0.000 |
-0.131 |
0.000 |
0.000 |
Slide |
0.000 |
3.050 |
0.846 |
0.000 |
-0.000 |
-0.039 |
Rise |
0.000 |
0.847 |
2.552 |
0.000 |
-0.021 |
-0.223 |
Tilt |
-0.131 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.000 |
-0.021 |
0.000 |
0.031 |
0.004 |
Twist |
0.000 |
-0.039 |
-0.223 |
0.000 |
0.004 |
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 |
1.408 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
3.305 |
0.984 |
0.000 |
0.047 |
-0.053 |
Rise |
0.000 |
0.984 |
2.897 |
0.000 |
-0.004 |
-0.250 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.047 |
-0.004 |
0.000 |
0.035 |
0.002 |
Twist |
0.000 |
-0.053 |
-0.250 |
0.000 |
0.002 |
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 |
1.005 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
4.580 |
1.164 |
0.000 |
0.082 |
-0.086 |
Rise |
0.000 |
1.161 |
2.711 |
0.000 |
0.016 |
-0.245 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.082 |
0.016 |
0.000 |
0.027 |
0.001 |
Twist |
0.000 |
-0.086 |
-0.245 |
0.000 |
0.001 |
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 |
1.073 |
0.000 |
0.000 |
-0.139 |
0.000 |
0.000 |
Slide |
0.000 |
4.176 |
1.009 |
0.000 |
0.070 |
-0.072 |
Rise |
0.000 |
1.011 |
2.653 |
0.000 |
-0.003 |
-0.241 |
Tilt |
-0.139 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.070 |
-0.003 |
0.000 |
0.028 |
0.003 |
Twist |
0.000 |
-0.073 |
-0.241 |
0.000 |
0.003 |
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 |
1.397 |
0.000 |
0.000 |
-0.140 |
0.000 |
0.000 |
Slide |
0.000 |
2.836 |
0.951 |
0.000 |
0.046 |
-0.051 |
Rise |
0.000 |
0.951 |
2.656 |
0.000 |
0.005 |
-0.230 |
Tilt |
-0.140 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.046 |
0.005 |
0.000 |
0.030 |
0.002 |
Twist |
0.000 |
-0.051 |
-0.230 |
0.000 |
0.002 |
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 |
1.174 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
3.493 |
1.054 |
0.000 |
0.005 |
-0.058 |
Rise |
0.000 |
1.054 |
2.711 |
0.000 |
-0.022 |
-0.235 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.022 |
0.000 |
0.032 |
0.003 |
Twist |
0.000 |
-0.058 |
-0.235 |
0.000 |
0.003 |
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 |
1.263 |
0.000 |
0.000 |
-0.143 |
0.000 |
0.000 |
Slide |
0.000 |
3.169 |
1.087 |
0.000 |
0.006 |
-0.055 |
Rise |
0.000 |
1.085 |
2.901 |
0.000 |
-0.027 |
-0.251 |
Tilt |
-0.143 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.027 |
0.000 |
0.033 |
0.004 |
Twist |
0.000 |
-0.055 |
-0.251 |
0.000 |
0.004 |
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 |
1.119 |
0.000 |
0.000 |
-0.140 |
0.000 |
0.000 |
Slide |
0.000 |
3.737 |
0.986 |
0.000 |
0.080 |
-0.070 |
Rise |
0.000 |
0.986 |
2.723 |
0.000 |
0.003 |
-0.245 |
Tilt |
-0.140 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.080 |
0.003 |
0.000 |
0.030 |
0.003 |
Twist |
0.000 |
-0.070 |
-0.245 |
0.000 |
0.003 |
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 |
1.205 |
0.000 |
0.000 |
-0.133 |
0.000 |
0.000 |
Slide |
0.000 |
3.339 |
1.023 |
0.000 |
0.006 |
-0.055 |
Rise |
0.000 |
1.025 |
2.726 |
0.000 |
-0.028 |
-0.237 |
Tilt |
-0.133 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.028 |
0.000 |
0.031 |
0.004 |
Twist |
0.000 |
-0.055 |
-0.237 |
0.000 |
0.004 |
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 |
1.660 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
2.475 |
1.553 |
0.000 |
-0.015 |
-0.088 |
Rise |
0.000 |
1.556 |
2.868 |
0.000 |
-0.068 |
-0.228 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
-0.068 |
0.000 |
0.033 |
0.004 |
Twist |
0.000 |
-0.088 |
-0.228 |
0.000 |
0.004 |
0.021 |
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 |
1.054 |
0.000 |
0.000 |
-0.130 |
0.000 |
0.000 |
Slide |
0.000 |
1.888 |
0.998 |
0.000 |
-0.024 |
-0.080 |
Rise |
0.000 |
0.998 |
2.666 |
0.000 |
-0.070 |
-0.227 |
Tilt |
-0.130 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
-0.070 |
0.000 |
0.027 |
0.004 |
Twist |
0.000 |
-0.080 |
-0.227 |
0.000 |
0.004 |
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 |
0.838 |
0.000 |
0.000 |
-0.031 |
0.000 |
0.000 |
Slide |
0.000 |
4.413 |
1.787 |
0.000 |
0.025 |
-0.093 |
Rise |
0.000 |
1.789 |
2.866 |
0.000 |
-0.005 |
-0.242 |
Tilt |
-0.031 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.025 |
-0.005 |
0.000 |
0.029 |
0.003 |
Twist |
0.000 |
-0.093 |
-0.243 |
0.000 |
0.003 |
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 |
0.396 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
3.077 |
0.974 |
0.000 |
0.046 |
-0.114 |
Rise |
0.000 |
0.975 |
3.189 |
0.000 |
-0.146 |
-0.265 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.046 |
-0.146 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.114 |
-0.265 |
0.000 |
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 |
0.378 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
2.823 |
0.873 |
0.000 |
0.040 |
-0.098 |
Rise |
0.000 |
0.872 |
2.982 |
0.000 |
-0.117 |
-0.245 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.041 |
-0.117 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.098 |
-0.245 |
0.000 |
0.008 |
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 |
0.776 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
2.847 |
1.248 |
0.000 |
-0.053 |
-0.121 |
Rise |
0.000 |
1.247 |
2.181 |
0.000 |
-0.064 |
-0.190 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.064 |
0.000 |
0.029 |
0.006 |
Twist |
0.000 |
-0.121 |
-0.190 |
0.000 |
0.006 |
0.019 |
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 |
0.643 |
0.000 |
0.000 |
-0.076 |
0.000 |
0.000 |
Slide |
0.000 |
2.968 |
0.709 |
0.000 |
0.027 |
-0.059 |
Rise |
0.000 |
0.708 |
2.511 |
0.000 |
-0.098 |
-0.206 |
Tilt |
-0.076 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
-0.098 |
0.000 |
0.020 |
0.006 |
Twist |
0.000 |
-0.059 |
-0.206 |
0.000 |
0.006 |
0.019 |
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 |
0.702 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
3.074 |
1.064 |
0.000 |
0.018 |
-0.089 |
Rise |
0.000 |
1.065 |
2.673 |
0.000 |
-0.099 |
-0.217 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
-0.099 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.089 |
-0.217 |
0.000 |
0.006 |
0.020 |
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)