NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2620 8.3293 119.6432 55.0132 31.4365 175.0720
  2     V  3.9132 7.3812 115.9944 62.3581 33.6306 171.5906
  3     V  3.9733 7.6299 118.9441 63.3195 33.0440 175.3889
  4     P  4.5649 0.0000   0.0000 61.9965 32.1227 174.8750
  5     F  4.7839 8.3628 119.3867 54.8849 42.3806 174.8021
  6     S  4.2393 8.7293 115.8965 58.7057 63.1645 173.9018
  7     S  4.4873 8.4240 116.2899 56.8905 62.3574 174.0541
  8     S  4.5565 8.3809 124.0685 56.8203 61.0037 174.2641
  9     V  4.0524 7.7981 118.3185 61.1351 32.3466 175.7232

  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  8.33 4.26 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 
  2     V  7.38 3.91 2.02 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 0.63 0.00 0.00 0.91 0.00 0.00 
  3     V  7.63 3.97 2.06 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 0.87 0.00 0.00 0.92 0.00 0.00 
  4     P  0.00 4.56 0.00 2.17 2.00 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 
  5     F  8.36 4.78 0.00 3.03 2.98 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     S  8.73 4.24 0.00 4.02 3.95 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 0.00 0.00 0.00 0.00 
  7     S  8.42 4.49 0.00 3.85 3.83 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     S  8.38 4.56 0.00 3.87 3.78 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     V  7.80 4.05 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 0.85 0.00 0.00 0.94 0.00 0.00