NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6151 8.4544 120.6389 56.2035 42.7743 173.7072
  2     H  3.9570 7.8417 121.7460 53.9112 30.6276 173.0513
  3     P  4.9392 0.0000   0.0000 65.3153 31.7550 176.8466
  4     Q  4.0182 8.4814 118.2071 57.7912 29.1480 175.7318
  5     G  4.0371 8.0531 107.1772 43.7212  0.0000 170.5347
  6     P  4.8766 0.0000   0.0000 60.5224 33.5890 173.7184
  7     P  4.7478 0.0000   0.0000 64.5799 30.7517 176.7644
  8     C  4.1219 8.9308 113.4774 57.1707 40.7084 172.7164

  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     C  8.45 4.62 0.00 2.95 3.10 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     H  7.84 3.96 0.00 3.29 3.19 0.00 5.75 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 
  3     P  0.00 4.94 0.00 2.15 2.14 0.00 3.05 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 
  4     Q  8.48 4.02 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 
  5     G  8.05 4.04 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 0.00 0.00 0.00 
  6     P  0.00 4.88 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 
  7     P  0.00 4.75 0.00 2.20 1.81 0.00 3.82 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 1.97 1.98 0.00 
  8     C  8.93 4.12 0.00 3.23 3.24 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