NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.3025 8.3444 121.7196 55.5334 29.1281 174.2524
  2     Y  3.8794 8.5733 126.3457 56.5241 39.2488 174.3043
  3     D  4.2925 7.7595 126.8319 54.4958 42.4482 175.1448
  4     D  4.6433 8.8141 124.5896 53.8179 39.7734 175.3968
  5     A  4.6563 7.7324 123.4535 50.4689 20.3715 177.4768
  6     V  3.7741 8.2902 117.5290 61.1631 32.3750 175.5360
  7     Y  4.4957 7.8444 122.5572 56.0602 39.1127 175.3408
  8     K  4.5024 8.4268 121.2020 54.4295 34.4876 176.3132
  9     L  4.2206 8.6795 122.9484 54.9970 41.5345 177.4203

  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 4.30 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 
  2     Y  8.57 3.88 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     D  7.76 4.29 0.00 2.46 2.17 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     D  8.81 4.64 0.00 2.85 2.81 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 
  5     A  7.73 4.66 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 
  6     V  8.29 3.77 1.95 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 0.73 0.00 0.00 0.90 0.00 0.00 
  7     Y  7.84 4.50 0.00 3.01 2.96 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     K  8.43 4.50 0.00 1.74 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.59 7.81 
  9     L  8.68 4.22 0.00 1.69 1.62 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00