List of pdbs in test set:
1A14_N
1A2Y_C
1AHW_C
1AR1_B
1BGX_T
1BJ1_W
1BQL_Y
1BVK_C
1C08_C
1DQJ_C
1DZB_X
1EGJ_A
1EO8_A
1EZV_E
1FBI_X
1FDL_Y
1FE8_A
1FJ1_F
1FNS_A
1G7M_C