NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.3778 8.3301 117.0992 57.9384 64.0259 173.1184
  3     A  4.4326 8.2160 126.7395 47.9935 20.3847 175.4716
  4     P  4.4947 0.0000   0.0000 61.9641 34.4162 173.9598
  5     D  4.4783 8.5435 119.4431 54.8595 39.9567 176.0597
  6     T  4.4494 8.1744 115.6282 61.1261 69.1944 175.1265
  7     R  4.0689 7.7156 122.0493 55.7075 30.6333 174.6127
  8     P  4.3115 0.0000   0.0000 62.1746 31.9438 176.4830
  9     A  4.1899 8.3753 125.7487 51.0754 19.1199 175.5953
  10    P  4.4190 0.0000   0.0000 63.1929 31.1794 176.3742

  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   
  2     S  8.33 4.38 0.00 3.65 3.72 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 
  3     A  8.22 4.43 1.26 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 0.00 0.00 0.00 
  4     P  0.00 4.49 0.00 2.19 2.11 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 
  5     D  8.54 4.48 0.00 2.64 2.66 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     T  8.17 4.45 4.24 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 1.28 0.00 0.00 
  7     R  7.72 4.07 0.00 1.78 1.99 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 
  8     P  0.00 4.31 0.00 2.08 1.97 0.00 3.73 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 2.02 2.08 0.00 
  9     A  8.38 4.19 1.24 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 
  10    P  0.00 4.42 0.00 2.19 2.06 0.00 3.80 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 1.99 1.97 0.00