NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  16    K  4.3356 8.3149 122.1408 54.4009 32.3298 174.0693
  17    R  4.4905 8.0879 123.3415 52.1847 32.4172 174.1977
  18    H  4.8853 9.1421 117.6914 53.9819 31.9675 172.5615
  19    R  4.6880 8.2477 117.4486 54.2911 33.3323 174.9750
  20    K  4.6647 8.3675 117.7014 54.7468 34.2041 176.4380
  21    V  4.3906 8.0000 121.7736 60.8042 34.4726 174.3886
  22    L  4.2154 8.5209 129.1217 54.9446 42.7650 176.6566
  23    R  4.2273 8.3587 123.3992 56.4745 30.9302 175.1162

  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 4.34 0.00 1.79 1.72 0.00 1.74 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  8.09 4.49 0.00 1.83 1.81 0.00 3.13 0.00 0.00 3.24 7.35 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  9.14 4.89 0.00 3.21 3.32 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  8.25 4.69 0.00 1.79 1.87 0.00 3.17 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 1.50 1.59 0.00 
  20    K  8.37 4.66 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 
  21    V  8.00 4.39 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  8.52 4.22 0.00 1.63 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 
  23    R  8.36 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 1.75 0.00