NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.4665 8.3444 120.8404 59.0650 33.1984 173.3374
  2     H  4.0134 8.1390 118.1521 52.9419 30.0141 173.6355
  3     P  4.9516 0.0000   0.0000 64.6212 31.7945 175.9328
  4     Q  4.2737 8.5099 117.9882 56.0827 29.3470 174.6551
  5     G  4.1199 8.0598 106.6641 43.9403  0.0000 170.9749
  6     P  4.6986 0.0000   0.0000 60.7135 32.7520 174.5124
  7     P  4.5067 0.0000   0.0000 62.4434 33.6181 175.9924
  8     C  3.9231 8.6547 114.7974 60.4580 27.4739 173.2614

  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  8.34 4.47 0.00 2.95 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 
  2     H  8.14 4.01 0.00 3.29 3.15 0.00 5.76 0.00 0.00 0.00 0.00 6.67 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 4.95 0.00 2.16 2.14 0.00 2.91 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 
  4     Q  8.51 4.27 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 
  5     G  8.06 4.12 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 4.70 0.00 2.19 2.05 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 1.94 1.94 0.00 
  7     P  0.00 4.51 0.00 2.20 2.14 0.00 3.77 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 1.98 1.98 0.00 
  8     C  8.65 3.92 0.00 3.13 3.16 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