# Fig3 Source Data File
#
# Column 1: x in both A and B
# Column 2: y in A (grid PMF)
# Column 3: y in B (binding pocket volume)
# Column 4: y in A (binding pocket free energy)
1 0 1 0
2 0.1506 1.77677 -0.34267
3 0.78339 2.04549 -0.426636
4 0.82895 2.29445 -0.495108
5 0.91772 2.50896 -0.548391
6 0.93042 2.71896 -0.596309
7 1.34441 2.82382 -0.618869
8 1.53979 2.89938 -0.634611
9 1.64848 2.96234 -0.647419
10 1.69733 3.02035 -0.658981
11 1.77486 3.07129 -0.668952
12 1.77548 3.12218 -0.678748
13 1.81442 3.16984 -0.687781
14 1.83875 3.21561 -0.696326
15 2.02877 3.24888 -0.702462
16 2.18859 3.27433 -0.707114
17 2.26367 3.29676 -0.711185
18 2.28957 3.31824 -0.715057
19 2.35919 3.33736 -0.718481
20 2.36597 3.35626 -0.721848