NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  16    K  4.3337 8.3149 122.1418 53.6746 34.2479 175.6255
  17    R  4.5922 7.7593 115.7317 52.6757 32.7423 172.6085
  18    H  5.0255 9.0591 115.6532 53.9439 32.6443 171.1687
  19    R  4.7321 8.2651 117.1431 54.3480 33.4816 174.7148
  20    K  4.6979 8.4150 116.6271 54.9171 34.8598 176.0550
  21    V  4.3664 8.0432 121.0242 60.5661 34.1428 174.9379
  22    L  4.1540 8.5685 129.2433 55.1143 42.7060 176.6906
  23    R  4.2296 8.3813 123.3962 56.4581 30.8591 175.1940

  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   
  16    K  8.31 4.33 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 
  17    R  7.76 4.59 0.00 1.83 1.80 0.00 3.10 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 
  18    H  9.06 5.03 0.00 3.18 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  19    R  8.27 4.73 0.00 1.78 1.87 0.00 3.15 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 
  20    K  8.41 4.70 0.00 1.71 1.69 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.40 7.81 
  21    V  8.04 4.37 2.09 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 0.80 0.00 0.00 0.94 0.00 0.00 
  22    L  8.57 4.15 0.00 1.63 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 
  23    R  8.38 4.23 0.00 1.78 1.75 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 1.52 1.77 0.00