NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9142 8.3393 109.7426 45.5791  0.0000 173.5736
  2     H  4.6591 8.2681 114.7233 53.2486 30.5077 173.2875
  3     R  4.3131 7.8703 118.6155 53.1198 32.3574 175.0790
  4     P  4.4134 0.0000   0.0000 63.1213 30.9042 176.5783

  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 3.91 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  8.27 4.66 0.00 3.36 3.29 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  7.87 4.31 0.00 1.74 1.84 0.00 3.37 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 
  4     P  0.00 4.41 0.00 2.16 2.07 0.00 3.65 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00