NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2995 8.3149 119.9972 55.6704 33.9449 175.5080
  2     P  4.1931 0.0000   0.0000 61.7689 31.9760 174.8310
  3     K  4.1474 8.5339 120.6882 56.6325 33.3896 175.4152

  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     K  8.31 4.30 0.00 1.88 1.88 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 
  2     P  0.00 4.19 0.00 2.14 2.02 0.00 3.61 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 2.02 2.13 0.00 
  3     K  8.53 4.15 0.00 1.65 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.39 7.81