NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3527 8.2649 123.5821 52.1160 19.9365 175.5326
  2     V  4.4077 7.7787 111.5207 58.1001 35.3925 173.5884
  3     P  4.3279 0.0000   0.0000 62.5928 32.6497 176.2837
  4     I  3.8608 8.2125 123.0440 60.6178 37.3691 176.0823
  5     A  4.1339 8.5582 128.8530 52.4399 18.9706 177.0448
  6     Q  4.2567 8.4908 118.8628 56.0628 29.2688 175.7866

  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  8.26 4.35 1.27 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     V  7.78 4.41 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 
  3     P  0.00 4.33 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 
  4     I  8.21 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.46 0.91 0.00 0.00 
  5     A  8.56 4.13 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 
  6     Q  8.49 4.26 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00