#PDB cf residue atom     bb_p  bb_s  bb_f  chi_p chi_s  HB-D  HB-I  REF         pred
#---------------------------------------------------------------------------------------------
1upk s TRP  2   N        0.00  3.25 -0.13 -0.67  0.52 -1.26 -5.05  118.94      115.61
1upk s TRP  2   Ca       0.00  1.40  0.01  0.00  0.02  0.00  0.00   56.10       57.53
1upk s TRP  2   Cb       0.00 -2.84  0.02  0.00 -1.15  0.00  0.00   33.47       29.49
1upk s TRP  2   CO       0.00 -1.04 -0.15 -1.21  0.02  0.00  0.00  176.95      174.56
1upk s GLU  3   N       -4.96  2.29  0.00  4.98  2.02 -1.26 -5.74  118.70      116.03
1upk s GLU  3   Ca       0.58 -0.57  0.11  0.00  0.02  0.00  0.00   54.97       55.11
1upk s GLU  3   Cb      -0.13 -2.01  0.09  0.00  0.10  0.00  0.00   34.13       32.18
1upk s GLU  3   CO       0.52 -0.14  0.85  1.19  0.02  0.00  0.00  175.26      177.71