NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.8913 8.3393 109.7376 45.2852  0.0000 174.0225
  2     H  4.2827 8.7849 120.0837 55.0580 29.1205 172.6314
  3     R  4.6481 7.9214 116.9658 53.4591 34.6742 174.9873
  4     P  4.4398 0.0000   0.0000 63.2352 31.2047 176.2000

  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 3.89 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  8.78 4.28 0.00 3.37 3.37 0.00 5.47 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  7.92 4.65 0.00 1.76 1.80 0.00 3.36 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 
  4     P  0.00 4.44 0.00 2.18 2.04 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00