NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4085 8.3044 118.1943 55.1702 32.6045 173.5860
  2     Q  4.1569 8.3280 119.3367 54.2287 30.1218 174.3086
  3     I  3.8861 8.4150 122.4823 61.3532 38.9655 174.9231

  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     M  8.30 4.41 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 
  2     Q  8.33 4.16 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 
  3     I  8.42 3.89 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 0.93 0.91 0.00 0.00