chi_angles_mask ============================ 氨基酸中是否存在相应扭转角的mask,二维数组,第一维长度20,代表20种不同的氨基酸,与 `restype_order` 的顺序一致;第二维长度4,每个氨基酸最多有四个侧链扭转角,值为1.0代表该扭转角存在,0.0代表不存在。 +--------+-------+-------+-------+--------------+ | value | | | | amino acid | +========+=======+=======+=======+==============+ | 0.0 | 0.0 | 0.0 | 0.0 | #ALA | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 1.0 | 1.0 | #ARG | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 0.0 | 0.0 | #ASN | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 0.0 | 0.0 | #ASP | +--------+-------+-------+-------+--------------+ | 1.0 | 0.0 | 0.0 | 0.0 | #CYS | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 1.0 | 0.0 | #GLN | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 1.0 | 0.0 | #GLU | +--------+-------+-------+-------+--------------+ | 0.0 | 0.0 | 0.0 | 0.0 | #GLY | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 0.0 | 0.0 | #HIS | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 0.0 | 0.0 | #ILE | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 0.0 | 0.0 | #LEU | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 1.0 | 1.0 | #LYS | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 1.0 | 0.0 | #MET | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 0.0 | 0.0 | #PHE | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 0.0 | 0.0 | #PRO | +--------+-------+-------+-------+--------------+ | 1.0 | 0.0 | 0.0 | 0.0 | #SER | +--------+-------+-------+-------+--------------+ | 1.0 | 0.0 | 0.0 | 0.0 | #THR | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 0.0 | 0.0 | #TRP | +--------+-------+-------+-------+--------------+ | 1.0 | 1.0 | 0.0 | 0.0 | #TYR | +--------+-------+-------+-------+--------------+ | 1.0 | 0.0 | 0.0 | 0.0 | #VAL | +--------+-------+-------+-------+--------------+