NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4399 8.3049 120.3529 54.8945 33.3230 175.3463
  2     L  4.0776 8.4193 126.1192 53.4719 42.4057 175.1559
  3     W  4.6448 8.9041 131.2958 57.6477 32.2323 175.8417
  4     G  3.8711 8.8011 112.6136 45.3919  0.0000 173.6037
  5     Y  4.3961 5.9878 114.2656 56.2765 38.6618 175.5159
  6     L  3.5951 6.9378 118.8745 54.4359 42.9517 177.2021
  7     Q  4.5261 7.9137 119.3527 54.0472 31.9005 175.2855
  8     Y  4.3836 8.2235 118.1094 57.4969 38.9130 176.3324
  9     V  3.8706 8.4146 114.8943 61.8983 31.6282 176.2739

  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 2.52 2.63 0.00 
  2     L  8.42 4.08 0.00 1.79 1.65 0.93 0.70 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  8.90 4.64 0.00 3.22 3.16 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  8.80 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 0.00 0.00 0.00 
  5     Y  5.99 4.40 0.00 2.23 2.45 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  6.94 3.60 0.00 1.26 1.25 0.73 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 
  7     Q  7.91 4.53 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 
  8     Y  8.22 4.38 0.00 2.97 2.85 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  8.41 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