NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  3     H  4.5870 8.2876 120.3892 55.2916 30.8967 173.8658
  4     P  4.1579 0.0000   0.0000 63.2907 30.8302 174.8277
  5     Q  4.3600 8.2741 120.3305 56.8774 31.0661 177.0232
  6     G  3.9053 7.8228 105.9261 43.7842  0.0000 170.3436
  7     P  4.5001 0.0000   0.0000 61.8378 32.0151 174.5986
  8     P  4.4195 0.0000   0.0000 63.0443 31.3420 176.4421

  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   
  3     H  8.29 4.59 0.00 3.19 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     P  0.00 4.16 0.00 2.27 2.10 0.00 3.28 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 
  5     Q  8.27 4.36 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 
  6     G  7.82 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 
  7     P  0.00 4.50 0.00 2.19 2.12 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 1.99 1.99 0.00 
  8     P  0.00 4.42 0.00 2.07 2.00 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00