NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2635 8.4444 120.2237 56.0368 30.9635 173.9919
  2     Q  3.9545 8.3796 120.8624 54.7442 29.7452 174.1084
  3     D  4.4449 8.8172 124.7121 54.0493 42.8331 176.2210
  4     K  3.4270 8.4303 124.3146 58.8947 31.9139 177.4507
  5     W  5.0274 7.8201 115.1705 56.3836 29.1665 175.9195
  6     A  4.5430 7.6068 121.8905 51.5490 19.3151 178.6250
  7     S  4.3949 8.3017 113.1709 59.2725 62.4025 176.7326

  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 1.92 1.97 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 2.19 2.35 0.00 
  2     Q  8.38 3.95 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 
  3     D  8.82 4.44 0.00 2.80 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 
  4     K  8.43 3.43 0.00 1.27 0.74 0.00 1.38 0.00 0.00 0.77 0.00 0.00 2.82 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.88 7.81 
  5     W  7.82 5.03 0.00 3.36 3.11 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     A  7.61 4.54 1.39 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 
  7     S  8.30 4.39 0.00 3.96 3.82 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