NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.3138 8.4444 120.2311 56.0953 30.9216 175.0859
  2     Q  4.1379 8.3740 122.1024 54.9802 29.9430 173.6027
  3     Y  4.3448 8.5065 123.0620 56.6135 40.7104 174.4048
  4     K  4.1726 7.1860 125.8442 54.8238 32.3850 176.2791
  5     F  4.5870 8.5826 125.1690 56.8381 40.2358 174.5552
  6     Y  4.6787 8.2089 121.8505 55.2868 41.7814 174.7691
  7     S  3.9720 7.2192 119.5825 58.4821 63.0302 174.5080
  8     V  3.8883 8.1837 123.1070 63.2417 31.3098 175.8212

  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     E  8.44 4.31 0.00 2.00 1.98 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 2.23 2.32 0.00 
  2     Q  8.37 4.14 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 
  3     Y  8.51 4.34 0.00 2.67 2.42 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     K  7.19 4.17 0.00 1.44 1.40 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.37 7.81 
  5     F  8.58 4.59 0.00 3.04 3.05 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     Y  8.21 4.68 0.00 2.92 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 
  7     S  7.22 3.97 0.00 3.47 3.20 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     V  8.18 3.89 2.09 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 0.84 0.00 0.00 0.97 0.00 0.00