NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1001   Y  4.8191 8.1449 121.6942 57.0056 38.9546 175.1370
  1002   P  4.2948 0.0000   0.0000 59.8972 29.7653 173.0624
  1003   S  4.1878 7.6390 112.9868 56.4065 66.3909 174.1185
  1004   K  4.0629 8.7089 127.8042 56.8695 31.8457 176.0837

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1001   Y  8.14 4.82 0.00 2.84 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  1002   P  0.00 4.29 0.00 2.05 1.93 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 
  1003   S  7.64 4.19 0.00 2.72 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  1004   K  8.71 4.06 0.00 1.72 1.66 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.44 7.81