NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.2809 8.2493 123.5823 52.6506 19.1972 176.1582
  2     H  4.5082 8.7013 114.1429 55.1718 30.1859 173.3519
  3     R  4.4156 8.0133 118.1723 53.3731 32.8439 175.3875
  4     P  4.4332 0.0000   0.0000 63.3012 30.8753 176.0702

  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     A  8.25 4.28 1.24 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  8.70 4.51 0.00 3.37 3.31 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.01 4.42 0.00 1.77 1.86 0.00 3.38 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 
  4     P  0.00 4.43 0.00 2.17 2.08 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00