| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.840 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
4.385 |
3.338 |
0.000 |
-0.020 |
-0.121 |
Rise |
0.000 |
3.338 |
10.512 |
0.000 |
0.043 |
-0.212 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
0.043 |
0.000 |
0.029 |
0.010 |
Twist |
0.000 |
-0.121 |
-0.212 |
0.000 |
0.010 |
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 |
0.802 |
0.000 |
0.000 |
-0.041 |
0.000 |
0.000 |
Slide |
0.000 |
3.533 |
2.570 |
0.000 |
0.034 |
-0.076 |
Rise |
0.000 |
2.570 |
10.319 |
0.000 |
0.079 |
-0.242 |
Tilt |
-0.041 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.034 |
0.079 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.076 |
-0.242 |
0.000 |
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 |
0.912 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.397 |
1.626 |
0.000 |
-0.047 |
-0.123 |
Rise |
0.000 |
1.627 |
9.074 |
0.000 |
-0.034 |
-0.192 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
-0.034 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.123 |
-0.192 |
0.000 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.370 |
0.000 |
0.000 |
-0.030 |
0.000 |
0.000 |
Slide |
0.000 |
5.307 |
3.101 |
0.000 |
-0.057 |
-0.108 |
Rise |
0.000 |
3.101 |
11.155 |
0.000 |
0.044 |
-0.189 |
Tilt |
-0.030 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
0.045 |
0.000 |
0.032 |
0.009 |
Twist |
0.000 |
-0.108 |
-0.189 |
0.000 |
0.009 |
0.049 |
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 |
1.935 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
4.999 |
2.998 |
0.000 |
-0.059 |
-0.124 |
Rise |
0.000 |
2.998 |
11.452 |
0.000 |
0.055 |
-0.188 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
0.055 |
0.000 |
0.032 |
0.014 |
Twist |
0.000 |
-0.124 |
-0.188 |
0.000 |
0.014 |
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 |
0.644 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
3.100 |
0.509 |
0.000 |
0.023 |
-0.128 |
Rise |
0.000 |
0.509 |
8.546 |
0.000 |
-0.117 |
-0.255 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
-0.117 |
0.000 |
0.020 |
0.010 |
Twist |
0.000 |
-0.128 |
-0.255 |
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 |
0.865 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
1.757 |
1.960 |
0.000 |
-0.020 |
-0.092 |
Rise |
0.000 |
1.960 |
8.897 |
0.000 |
-0.039 |
-0.167 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
-0.039 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.092 |
-0.167 |
0.000 |
0.009 |
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 |
1.020 |
0.000 |
0.000 |
-0.128 |
0.000 |
0.000 |
Slide |
0.000 |
2.560 |
1.072 |
0.000 |
0.003 |
-0.120 |
Rise |
0.000 |
1.072 |
8.411 |
0.000 |
-0.094 |
-0.258 |
Tilt |
-0.128 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.094 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.120 |
-0.258 |
0.000 |
0.007 |
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 |
0.896 |
0.000 |
0.000 |
-0.068 |
0.000 |
0.000 |
Slide |
0.000 |
2.365 |
1.803 |
0.000 |
-0.063 |
-0.122 |
Rise |
0.000 |
1.803 |
9.340 |
0.000 |
-0.054 |
-0.225 |
Tilt |
-0.068 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.054 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.122 |
-0.225 |
0.000 |
0.010 |
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 |
0.851 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
2.253 |
1.392 |
0.000 |
-0.053 |
-0.099 |
Rise |
0.000 |
1.392 |
8.951 |
0.000 |
-0.047 |
-0.166 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.047 |
0.000 |
0.026 |
0.012 |
Twist |
0.000 |
-0.099 |
-0.166 |
0.000 |
0.012 |
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 |
1.220 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
2.277 |
1.466 |
0.000 |
0.011 |
-0.150 |
Rise |
0.000 |
1.466 |
7.749 |
0.000 |
-0.035 |
-0.133 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.035 |
0.000 |
0.021 |
0.005 |
Twist |
0.000 |
-0.150 |
-0.133 |
0.000 |
0.005 |
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 |
1.003 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
1.298 |
1.860 |
0.000 |
-0.017 |
-0.075 |
Rise |
0.000 |
1.860 |
8.332 |
0.000 |
-0.030 |
-0.169 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.017 |
-0.030 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.075 |
-0.169 |
0.000 |
0.009 |
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 |
1.004 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
3.791 |
3.052 |
0.000 |
0.005 |
-0.119 |
Rise |
0.000 |
3.052 |
10.550 |
0.000 |
0.066 |
-0.226 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
0.066 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.119 |
-0.226 |
0.000 |
0.007 |
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 |
0.405 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
2.825 |
0.937 |
0.000 |
0.023 |
-0.145 |
Rise |
0.000 |
0.937 |
8.353 |
0.000 |
-0.091 |
-0.216 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
-0.091 |
0.000 |
0.017 |
0.011 |
Twist |
0.000 |
-0.145 |
-0.216 |
0.000 |
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 |
1.102 |
0.000 |
0.000 |
-0.072 |
0.000 |
0.000 |
Slide |
0.000 |
2.307 |
1.540 |
0.000 |
-0.006 |
-0.148 |
Rise |
0.000 |
1.540 |
8.385 |
0.000 |
-0.028 |
-0.152 |
Tilt |
-0.072 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.028 |
0.000 |
0.019 |
0.008 |
Twist |
0.000 |
-0.148 |
-0.152 |
0.000 |
0.008 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.666 |
0.000 |
0.000 |
-0.072 |
0.000 |
0.000 |
Slide |
0.000 |
2.800 |
0.743 |
0.000 |
0.007 |
-0.125 |
Rise |
0.000 |
0.742 |
8.428 |
0.000 |
-0.097 |
-0.237 |
Tilt |
-0.072 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.097 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.125 |
-0.237 |
0.000 |
0.009 |
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)