NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     K  4.4890 8.3149 119.9972 56.4707 33.9963 175.4226
  3     D  4.4330 8.5936 121.6410 54.1304 41.2793 175.8297
  4     T  4.0775 9.1694 116.6156 65.7453 69.3791 174.9378
  5     N  4.8423 7.9195 117.4620 52.5201 39.2402 173.9020
  6     N  4.2196 8.0933 113.8317 54.8584 36.3880 173.9143
  7     N  5.0417 7.7507 113.6705 51.2161 41.6045 175.5667
  8     L  4.1786 8.3342 119.2284 55.2371 41.7600 177.1723

  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   
  2     K  8.31 4.49 0.00 2.01 1.88 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 
  3     D  8.59 4.43 0.00 2.73 2.68 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 
  4     T  9.17 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 
  5     N  7.92 4.84 0.00 2.68 2.79 0.00 0.00 7.01 8.00 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     N  8.09 4.22 0.00 2.88 2.93 0.00 0.00 6.74 7.65 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     N  7.75 5.04 0.00 2.98 2.69 0.00 0.00 7.01 6.74 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 
  8     L  8.33 4.18 0.00 1.63 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00