NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9364 8.3393 109.7406 45.6472  0.0000 172.3479
  2     H  4.5688 8.7106 115.1883 54.2640 30.3280 172.6103
  3     R  4.6065 8.7787 117.5712 53.8573 34.8806 174.8471
  4     P  4.4149 0.0000   0.0000 63.1048 31.2644 176.4542

  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 3.94 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  8.71 4.57 0.00 3.37 3.33 0.00 5.49 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.78 4.61 0.00 1.74 1.78 0.00 3.21 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 
  4     P  0.00 4.41 0.00 2.02 1.96 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00