NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2551 8.3449 119.6882 55.8034 30.0667 174.4625
  2     L  4.3751 8.0568 121.0979 51.9634 43.8164 174.6035
  3     S  4.2728 8.1103 114.5401 57.3794 63.7265 171.5226
  4     P  4.5285 0.0000   0.0000 61.9463 31.8179 175.7473
  5     F  4.0116 8.8505 121.0994 58.1950 39.4489 173.3270
  6     P  4.5507 0.0000   0.0000 61.9792 32.1148 175.6146
  7     F  4.7477 8.4247 118.2761 57.1121 39.7087 174.8604
  8     D  4.6579 8.4052 121.6727 54.0386 41.3974 176.9903
  9     L  4.2137 8.4287 121.6512 55.1751 41.6872 176.9492

  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 4.26 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 
  2     L  8.06 4.38 0.00 1.72 1.62 0.93 0.59 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  8.11 4.27 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 2.11 0.00 3.84 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  8.85 4.01 0.00 3.02 3.09 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 4.55 0.00 2.11 1.92 0.00 3.05 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 1.50 1.73 0.00 
  7     F  8.42 4.75 0.00 2.96 3.02 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 0.00 0.00 0.00 0.00 
  8     D  8.41 4.66 0.00 2.71 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  8.43 4.21 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 1.71 0.00 0.00 0.00 0.00 0.00 0.00