NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     D  4.5085 8.3649 120.1906 53.9185 42.3096 173.8662
  2     R  4.1204 8.2357 118.1800 56.3706 31.8223 170.9571
  3     V  4.3695 7.5242 124.7119 63.6369 37.6295 174.9090
  4     Y  4.3639 9.3528 119.8910 57.4582 38.5421 174.0768
  5     I  3.2819 6.3709 115.6120 61.0597 36.2019 173.9199
  6     H  4.8560 7.1583 126.0089 53.7874 30.8268 173.7128
  7     P  4.3825 0.0000   0.0000 63.1722 31.2661 176.2463

  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     D  8.36 4.51 0.00 2.63 2.69 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 
  2     R  8.24 4.12 0.00 1.90 1.86 0.00 3.40 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 
  3     V  7.52 4.37 2.12 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 0.83 0.00 0.00 0.97 0.00 0.00 
  4     Y  9.35 4.36 0.00 3.20 3.19 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     I  6.37 3.28 1.73 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.86 0.00 0.00 
  6     H  7.16 4.86 0.00 2.84 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     P  0.00 4.38 0.00 2.16 2.01 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00