NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.6318 8.4544 120.6385 56.3576 39.5234 173.0325
  2     H  4.2575 8.4807 127.9619 53.2310 30.2287 173.5898
  3     P  4.4286 0.0000   0.0000 64.5758 32.0619 176.1933
  4     Q  4.1623 8.2896 119.3845 57.3090 29.4901 175.4804
  5     G  3.9386 7.6549 106.7504 43.4144  0.0000 170.8152
  6     P  4.3836 0.0000   0.0000 61.3263 31.7937 173.7786
  7     P  4.2545 0.0000   0.0000 63.2240 30.8959 175.7381
  8     C  4.5768 8.5077 117.2498 55.4220 42.8360 173.9690

  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 4.63 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  8.48 4.26 0.00 3.28 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.65 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 4.43 0.00 2.19 2.12 0.00 3.41 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 
  4     Q  8.29 4.16 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 
  5     G  7.65 3.94 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 4.38 0.00 2.19 2.10 0.00 3.79 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 1.99 0.00 
  7     P  0.00 4.25 0.00 2.06 2.09 0.00 3.62 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 2.03 2.08 0.00 
  8     C  8.51 4.58 0.00 3.02 2.99 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