NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2532 8.3449 119.6881 55.8040 30.0651 174.4705
  2     L  4.3587 8.0533 120.9792 52.0456 43.7494 174.5972
  3     S  4.2901 8.1192 114.5910 57.3027 63.7527 171.6029
  4     P  4.5069 0.0000   0.0000 62.0581 31.7435 175.7093
  5     F  3.9950 8.8829 121.0292 58.3627 39.4791 173.3941
  6     P  4.6058 0.0000   0.0000 61.8643 32.2003 175.5897
  7     F  4.6745 8.5517 118.4655 57.3999 39.6599 174.6240
  8     D  4.7093 8.3675 121.3499 53.8987 41.4979 177.0130
  9     L  4.2167 8.4072 121.2801 55.1949 41.6889 177.0010

  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 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 
  2     L  8.05 4.36 0.00 1.72 1.62 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 
  3     S  8.12 4.29 0.00 3.82 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 4.51 0.00 2.32 2.11 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 2.02 1.99 0.00 
  5     F  8.88 4.00 0.00 3.01 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 4.61 0.00 2.15 1.94 0.00 3.10 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 
  7     F  8.55 4.67 0.00 2.98 3.04 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  8.37 4.71 0.00 2.70 2.63 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  8.41 4.22 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 1.73 0.00 0.00 0.00 0.00 0.00 0.00