NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  3     K  4.2859 8.3144 122.1408 54.5210 32.4995 173.8215
  4     R  4.4545 7.6967 124.0598 52.7802 31.9161 173.7946
  5     R  4.4642 8.5846 118.9976 55.2232 32.5314 174.0969
  6     R  4.1279 8.2511 118.3592 56.7835 30.7002 176.8094
  7     H  4.5894 8.1677 116.3032 54.2957 30.6275 172.1104
  8     P  4.5514 0.0000   0.0000 61.7248 32.1580 177.2038
  9     S  4.3071 8.4779 115.0576 59.0920 62.7078 174.5220

  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     K  8.31 4.29 0.00 1.79 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 
  4     R  7.70 4.45 0.00 1.84 1.84 0.00 3.25 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 
  5     R  8.58 4.46 0.00 1.83 1.79 0.00 3.04 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 
  6     R  8.25 4.13 0.00 1.79 1.91 0.00 3.19 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 
  7     H  8.17 4.59 0.00 3.05 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  8     P  0.00 4.55 0.00 2.05 1.98 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 
  9     S  8.48 4.31 0.00 3.86 3.78 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