NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4377 8.3049 120.3532 55.0139 33.3754 175.3406
  2     L  4.1241 8.3537 125.9174 53.2505 42.4792 175.1308
  3     W  4.6152 8.8665 131.1105 57.6660 32.1713 175.9549
  4     G  3.6471 8.7217 112.0203 45.5761  0.0000 173.1659
  5     Y  4.3358 5.6063 115.4237 56.4608 38.5337 175.4846
  6     L  3.5596 6.8451 118.9415 54.3629 42.9657 176.9965
  7     Q  4.3845 7.8870 121.3204 53.8714 31.8692 174.9651
  8     Y  4.3115 7.9905 121.0676 57.8595 38.6647 176.7310
  9     V  3.8690 8.4698 115.3396 61.9071 31.6076 176.1969

  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     M  8.30 4.44 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 
  2     L  8.35 4.12 0.00 1.78 1.63 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 
  3     W  8.87 4.62 0.00 3.21 3.15 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     G  8.72 3.65 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 0.00 0.00 0.00 
  5     Y  5.61 4.34 0.00 2.35 2.56 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     L  6.85 3.56 0.00 1.24 1.26 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 
  7     Q  7.89 4.38 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 
  8     Y  7.99 4.31 0.00 3.05 2.83 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 
  9     V  8.47 3.87 2.13 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 0.70 0.00 0.00 0.99 0.00 0.00