Table 2.

Number of conformers required to achieve 90% of the MS-HO partition function, $N_{90}$, at 300 K. The table also collects the highest relative electronic, $E^{\max }$, and free, $G^{\max }$, energies within the considered conformers. Finally, it also includes the maximum contribution of a single conformer (${\chi }_i^{\max }$) to the partition function

Amino acid	$N_{90}$	$E^{\max }$	$G^{\max }$	${\chi }_i^{\max }$ (%)
Asp	16	2.782	3.220	17.4
Glu	66	3.312	4.601	16.9
Ala	6	1.388	1.361	57.8
Gly	5	1.086	1.138	57.3
Ile	23	2.106	3.131	33.1
Leu	19	1.931	3.298	52.4
Pro	4	1.313	0.676	45.1
Val	12	1.830	1.794	32.1
Asn	9	3.266	1.963	53.1
Gln	53	4.208	3.965	13.0
Phe	10	2.745	1.542	28.2
Trp	14	3.429	2.571	48.6
Tyr	16	2.980	1.809	18.5
Arg	80	4.333	5.653	47.3
HisD	4	2.213	1.875	78.9
HisE	5	2.491	2.261	70.6
Lys	667	5.490	5.232	1.7
Ser	12	2.627	2.118	29.6
Thr	11	3.036	2.303	38.7
Cys	16	3.597	2.708	31.1
Met	79	4.120	3.829	15.0