NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  76    E  4.2538 8.4293 121.4700 54.9628 30.6898 175.2708
  77    P  3.9988 0.0000   0.0000 62.6756 31.4466 173.8560
  78    Q  3.7176 8.4833 122.5289 56.0296 28.9466 178.3000
  79    N  4.8009 8.4413 123.2374 51.8509 38.1716 172.4550
  80    C  4.6105 8.1811 119.8660 59.0107 37.1128 173.2996
  81    S  4.4762 8.1442 113.4320 57.2357 62.3150 172.5116
  82    A  4.4767 8.2977 131.9442 51.5484 20.9565 176.2869
  83    T  4.0767 8.5466 108.8608 62.2721 68.4313 173.7984

  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   
  76    E  8.43 4.25 0.00 1.92 1.93 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 2.37 0.00 
  77    P  0.00 4.00 0.00 2.30 2.06 0.00 3.86 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 1.99 2.05 0.00 
  78    Q  8.48 3.72 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.17 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 
  79    N  8.44 4.80 0.00 2.66 2.73 0.00 0.00 6.94 7.65 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 
  80    C  8.18 4.61 0.00 2.91 2.85 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 
  81    S  8.14 4.48 0.00 3.83 3.75 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 
  82    A  8.30 4.48 1.25 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 
  83    T  8.55 4.08 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 1.21 0.00 0.00