NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9584 8.3393 109.7356 45.4651  0.0000 176.2617
  2     H  4.8268 9.0620 114.3637 53.0466 31.7218 172.2867
  3     R  4.4380 8.0517 118.9375 53.1527 31.9566 175.2331
  4     P  4.4439 0.0000   0.0000 62.8649 31.1685 176.8178

  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     G  8.34 3.96 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 0.00 
  2     H  9.06 4.83 0.00 3.31 3.24 0.00 5.47 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.05 4.44 0.00 1.77 1.88 0.00 3.36 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 
  4     P  0.00 4.44 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00