NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  3     R  4.1352 8.2549 120.8598 53.7636 30.7815 176.1604
  4     E  3.2489 8.7002 116.0276 55.8859 28.5009 172.5574
  5     R  4.1156 9.1190 121.5714 55.3353 29.6477 174.8903
  6     S  3.9928 8.3932 120.4156 57.7710 62.9524 174.4541
  7     P  4.5803 0.0000   0.0000 60.1653 30.0473 176.2746
  8     T  4.0822 6.8564 110.1561 62.5356 70.4000 172.3821
  9     R  4.1869 8.7332 126.0773 56.5005 30.2654 176.3103

  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   
  3     R  8.25 4.14 0.00 1.79 1.55 0.00 3.35 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 
  4     E  8.70 3.25 0.00 2.16 1.94 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 2.23 2.42 0.00 
  5     R  9.12 4.12 0.00 1.76 1.87 0.00 3.28 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 
  6     S  8.39 3.99 0.00 3.90 3.86 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 
  7     P  0.00 4.58 0.00 2.18 2.09 0.00 3.83 0.00 0.00 3.72 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 
  8     T  6.86 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 
  9     R  8.73 4.19 0.00 1.84 1.82 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00