Move data files to data folder.

[electronicsbyjulie]

See #158.

Additionally, amino acid 3-letter codes are now case insensitive.

No changes to the code that does the intermolecular binding, but might be a good idea to retest Big 3 anyway.

[electronicsbyjulie]

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[electronicsbyjulie]

It occurs to me that vdW-binding atoms should not be paired with hydrophilic amino acids:

# Best binding heavy atom 2 of ligand
# LBBA: C1 type: vdW

...

# Aligning C1 to Asn109...

I should like to include a fix for that in this PR.

[electronicsbyjulie]

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