NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2792 8.3293 121.7117 55.9800 29.2022 173.0454
  2     L  4.0484 7.9190 122.0346 53.7406 41.7051 176.1976
  3     S  4.4748 8.2842 117.3850 56.8608 64.2995 172.9327
  4     P  4.5480 0.0000   0.0000 62.2829 32.0715 175.9266
  5     F  4.4808 8.3999 120.8913 56.1117 40.2756 173.0168
  6     P  4.1570 0.0000   0.0000 64.5732 31.6440 176.1617
  7     F  4.2209 6.8429 125.1961 57.4007 38.5100 175.0107
  8     D  4.5594 8.4987 125.6216 53.7535 41.3709 176.7606
  9     L  4.2144 8.6437 124.3308 55.4369 42.1014 176.4051

  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 4.28 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 
  2     L  7.92 4.05 0.00 1.87 1.65 0.91 0.38 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 
  3     S  8.28 4.47 0.00 3.90 3.87 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 4.55 0.00 2.22 2.04 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 
  5     F  8.40 4.48 0.00 2.87 3.06 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 0.00 0.00 0.00 0.00 
  6     P  0.00 4.16 0.00 1.31 1.73 0.00 3.06 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.85 0.00 
  7     F  6.84 4.22 0.00 2.83 2.89 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  8.50 4.56 0.00 2.70 2.67 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  8.64 4.21 0.00 1.73 1.63 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00