NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  107   S  4.4153 8.3344 115.4142 58.7116 64.4770 172.0939
  108   T  3.7735 8.2994 112.0942 62.8895 70.6852 169.9461
  109   N  4.2769 8.4328 113.6018 54.3816 37.2343 172.3100
  110   P  4.4557 0.0000   0.0000 62.8575 31.2085 177.7554
  111   F  4.4286 7.9969 116.8832 59.9320 39.9944 176.2823
  112   R  4.1662 8.1604 122.6205 56.6915 29.8154 176.7219

  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   
  107   S  8.33 4.42 0.00 4.00 3.96 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 0.00 0.00 0.00 
  108   T  8.30 3.77 4.26 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 1.24 0.00 0.00 
  109   N  8.43 4.28 0.00 2.98 2.84 0.00 0.00 6.93 7.50 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 
  110   P  0.00 4.46 0.00 1.85 1.96 0.00 4.05 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.81 0.00 
  111   F  8.00 4.43 0.00 3.07 3.18 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 
  112   R  8.16 4.17 0.00 1.88 1.90 0.00 3.26 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00