NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     A  4.3000 8.2601 123.5821 51.5340 20.6978 177.1838
  3     A  4.5227 7.5854 116.5574 47.5188 21.9800 173.2163
  4     P  4.4721 0.0000   0.0000 63.0368 33.0141 174.9562
  5     K  4.0931 8.2458 117.9117 57.5807 32.0411 175.4830

  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   
  2     A  8.26 4.30 1.31 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 0.00 0.00 
  3     A  7.59 4.52 1.22 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 0.00 0.00 
  4     P  0.00 4.47 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 
  5     K  8.25 4.09 0.00 1.84 1.75 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.43 7.81