NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1001   Y  4.8470 8.1293 121.6946 57.0717 38.8907 174.9073
  1002   P  4.3293 0.0000   0.0000 60.2861 29.8144 173.4079
  1003   S  4.2207 7.3672 117.8964 56.5655 66.5919 174.5994
  1004   K  3.7449 8.6393 127.9529 56.2822 32.2586 174.5469
  1005   P  4.4650 0.0000   0.0000 63.0345 31.1914 176.0789

  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   
  1001   Y  8.13 4.85 0.00 2.86 3.04 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 
  1002   P  0.00 4.33 0.00 2.21 2.02 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 
  1003   S  7.37 4.22 0.00 2.72 2.63 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 
  1004   K  8.64 3.74 0.00 1.71 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.47 7.81 
  1005   P  0.00 4.46 0.00 2.09 1.98 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00