Apply fix from upstream protein_adaptability

MISATO-dataset/protein_adaptability@d9b199d6168e099b29e550eb2dec64b308737b65

main.py

@@ -97,7 +97,7 @@ def predict(pdb_code, pdb_file):
 
 
     for i in range(adaptability.shape[0]):
-        data.append([i, atom_mapping(atoms_protein.iloc[i, atoms_protein.columns.get_loc("element")] - 1), atoms_protein.iloc[i, atoms_protein.columns.get_loc("x")],atoms_protein.iloc[i, atoms_protein.columns.get_loc("y")],atoms_protein.iloc[i, atoms_protein.columns.get_loc("z")],adaptability[i]])
+        data.append([i, atom_mapping[atoms_protein.iloc[i, atoms_protein.columns.get_loc("element")] - 1], atoms_protein.iloc[i, atoms_protein.columns.get_loc("x")],atoms_protein.iloc[i, atoms_protein.columns.get_loc("y")],atoms_protein.iloc[i, atoms_protein.columns.get_loc("z")],adaptability[i]])
 
     topN = 100
     topN_ind = np.argsort(adaptability)[::-1][:topN]