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. 2019 Aug 12;25:104376. doi: 10.1016/j.dib.2019.104376

Table 1.

Backbone torsional angles (all values are in degrees) of the simulated P3HB chains with various stretch factors.

Torsions (same notation as Orts et al. [4]) Stretch factors
Orts et al. [4] Tanaka et al. [5] B
1.54 1.7 2
C3–O1–C1–C2 117.6 (−62.4) 120.1 (−59.9) 119.1 (−60.9) 112.6 (−67.4) 155.5 (−24.5)
O1–C1–C2–C3 −153.2 (26.8) −154.4 (25.6) −161.0 (19.0) −168.9 (11.1) 167.9 (−12.1)
C1–C2–C3–O1 −124.3 (55.7) −131.7 (48.3) −153.4 (26.6) −113.2 (66.8) 135.7 (−44.3)
C2–C3–O1–C1 170.0 (−10.0) 169.2 (−10.8) 167.6 (−12.4) 172.1 (−7.9) −178.5 (1.5)