NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     I  4.1583 8.0093 121.4506 60.8090 38.5818 176.5228
  2     P  4.4364 0.0000   0.0000 60.4348 29.7812 174.5023
  3     I  4.0912 7.4780 123.9189 62.1026 38.9204 175.4432

  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   
  1     I  8.01 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 0.91 0.00 0.00 
  2     P  0.00 4.44 0.00 2.26 2.08 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 
  3     I  7.48 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.92 0.00 0.00