NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2766 8.3149 119.9972 56.4448 33.9235 175.0113
  2     I  3.8418 8.1781 122.0127 59.9739 37.8783 174.5986
  3     K  4.1480 8.6876 124.0919 56.5075 33.2145 175.1051

  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 4.28 0.00 1.88 1.88 0.00 1.53 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     I  8.18 3.84 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 1.30 0.65 0.91 0.00 0.00 
  3     K  8.69 4.15 0.00 1.66 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.38 7.81