NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2716 8.3449 119.6884 55.7841 30.0962 174.5702
  2     L  4.3921 8.1162 121.7073 51.8059 43.7247 174.6246
  3     S  4.1694 8.2386 114.8828 57.7228 63.5779 171.7304
  4     P  4.5497 0.0000   0.0000 61.9219 31.8405 175.6090
  5     F  4.0292 8.7917 120.5940 58.1011 39.4415 173.1856
  6     P  4.5807 0.0000   0.0000 62.0391 31.9172 176.0567
  7     F  4.5805 8.5853 118.6527 57.0166 39.5880 175.4050
  8     D  4.4994 8.4931 122.4099 54.5803 41.1775 176.9627
  9     L  4.2076 8.4828 122.0738 55.1634 41.6332 176.9284

  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     Q  8.34 4.27 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 
  2     L  8.12 4.39 0.00 1.70 1.61 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 
  3     S  8.24 4.17 0.00 3.82 3.77 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 
  4     P  0.00 4.55 0.00 2.34 2.14 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 
  5     F  8.79 4.03 0.00 3.00 3.07 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     P  0.00 4.58 0.00 1.92 1.90 0.00 2.67 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.96 0.00 
  7     F  8.59 4.58 0.00 2.92 3.00 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 
  8     D  8.49 4.50 0.00 2.68 2.65 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 
  9     L  8.48 4.21 0.00 1.63 1.60 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00