Table 3. Decomposition of the Configurational Entropy Change, −TΔS (kcal/mol), between BPTI’s Conformational Clusters 1 and 2 into First Order (Main-Chain (M), Side-Chain (S)) and Correlation (Main-Chain Main-Chain (MM), Main-Chain Side-Chain (MS), and Side-Chain Side-Chain (SS)) Contributions.

method	M	S	MM	MS	SS
MIST-889	14.0	7.1	3.6	0.9	1.5
MIST-889c	14.0	7.1	2.4	0.6	–0.2