NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2526 8.3449 119.6881 55.7737 30.0665 174.8419
  2     L  4.2923 8.1475 122.2285 52.2216 43.4944 174.5459
  3     S  4.3061 8.0886 114.3730 57.3506 63.7564 171.5153
  4     P  4.5302 0.0000   0.0000 61.9086 31.8454 175.7880
  5     F  3.9761 8.8765 121.1010 58.2387 39.4227 173.4119
  6     P  4.5703 0.0000   0.0000 62.0605 32.1001 175.6429
  7     F  4.7909 8.4293 118.0709 56.9744 39.7132 175.1680
  8     D  4.6408 8.3924 121.6867 54.2321 41.3552 176.9501
  9     L  4.2266 8.3973 121.0382 55.1975 41.7237 176.9946

  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 4.25 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 
  2     L  8.15 4.29 0.00 1.73 1.63 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 
  3     S  8.09 4.31 0.00 3.81 3.74 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 4.53 0.00 2.32 2.10 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 
  5     F  8.88 3.98 0.00 3.02 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 4.57 0.00 2.14 1.94 0.00 3.04 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 
  7     F  8.43 4.79 0.00 2.97 3.03 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  8.39 4.64 0.00 2.71 2.64 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  8.40 4.23 0.00 1.63 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00