NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2580 8.4444 121.4758 56.1379 30.6907 174.8839
  2     Q  4.4048 8.4309 126.9876 53.4561 30.8572 172.6599
  3     Y  4.4912 9.1723 124.3397 57.7046 40.9244 175.4855
  4     K  4.6155 6.0180 118.9593 55.8398 32.0810 175.7150
  5     F  3.9361 7.4143 117.9507 56.0941 40.9374 175.2079
  6     Y  5.0212 8.4033 123.7696 56.0330 41.0091 176.3136
  7     S  4.4132 7.0610 118.6307 58.0592 64.6765 174.8840
  8     V  3.8973 7.8151 121.2232 64.1233 31.4636 175.6864

  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 4.26 0.00 1.96 1.96 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 2.22 2.27 0.00 
  2     Q  8.43 4.40 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 
  3     Y  9.17 4.49 0.00 2.58 2.22 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  6.02 4.62 0.00 1.34 1.53 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.32 7.81 
  5     F  7.41 3.94 0.00 3.01 3.14 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  8.40 5.02 0.00 2.85 2.93 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  7.06 4.41 0.00 3.40 3.62 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  7.82 3.90 2.03 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 0.74 0.00 0.00 0.92 0.00 0.00