Entry |
| ΔG psolv | ΔG npsolv |
|
|
| Residual |
---|---|---|---|---|---|---|---|
1a | -41.712 | -8.756 | -2.296 | 0 | -4.276 | -5.292 | -1.016 |
2a | -65.593 | -16.745 | -2.782 | 1 | -5.852 | -5.558 | 0.294 |
3a | -51.706 | -9.542 | -2.434 | 1 | -5.167 | -4.253 | 0.915 |
4 | -43.071 | -8.427 | -2.852 | 2 | -6.242 | -7.308 | -1.066 |
5a | -81.351 | -20.047 | -3.196 | 3 | -7.751 | -8.110 | -0.359 |
6a | -55.993 | -11.678 | -3.085 | 3 | -7.291 | -8.256 | -0.965 |
7a | -157.304 | -59.945 | -3.837 | 5 | -10.268 | -10.665 | -0.397 |
8 | -27.615 | -15.471 | -3.098 | 3 | -6.693 | -7.829 | -1.136 |
9a | -93.407 | -25.109 | -3.490 | 4 | -8.845 | -8.761 | 0.083 |
10a | -56.084 | -13.070 | -2.791 | 3 | -6.751 | -5.689 | 1.062 |
11 | -58.015 | -20.047 | -2.762 | 1 | -5.595 | -6.524 | -0.929 |
12 | -63.864 | -12.846 | -2.906 | 3 | -7.099 | -5.770 | 1.329 |
13a | -61.236 | -14.824 | -3.221 | 5 | -8.518 | -8.606 | -0.087 |
14 | -60.888 | -15.442 | -3.292 | 6 | -9.105 | -8.699 | 0.406 |
15 | -60.917 | -15.604 | -3.709 | 7 | -10.308 | -8.216 | 2.091 |
16 | -60.720 | -13.072 | -3.750 | 6 | -9.951 | -9.988 | -0.037 |
17a | -64.809 | -17.109 | -3.682 | 6 | -9.811 | -9.716 | 0.095 |
18a | -177.695 | -16.106 | -3.727 | 6 | -12.015 | -12.082 | -0.067 |
19 | -70.768 | -15.895 | -3.535 | 7 | -10.183 | -10.777 | -0.593 |
20 | -71.985 | -14.962 | -3.781 | 6 | -10.169 | -11.229 | -1.059 |
21 | -79.530 | -19.304 | -3.846 | 6 | -10.316 | -10.946 | -0.630 |
22 | -81.814 | -58.172 | -3.927 | 6 | -9.547 | -10.519 | -0.972 |
23a | -106.410 | -54.144 | -3.794 | 6 | -9.873 | -9.716 | 0.157 |
24a | -138.056 | -52.223 | -3.803 | 6 | -10.524 | -10.429 | 0.095 |
25 | -94.987 | -51.774 | -3.824 | 6 | -9.771 | -8.564 | 1.207 |
26 | -100.764 | -54.605 | -3.764 | 7 | -10.190 | -10.326 | -0.136 |
27 | -96.554 | -53.308 | -3.797 | 6 | -9.716 | -10.208 | -0.491 |
28a | -112.339 | -53.340 | -3.929 | 6 | -10.236 | -10.045 | 0.191 |