NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  601   K  4.2179 8.3144 121.7888 55.7594 33.2617 175.1978
  602   Q  3.8507 8.7729 127.9332 55.8907 29.4851 171.8071
  603   E  4.6577 8.3683 124.9190 53.6359 32.4493 173.8199
  604   P  4.5727 0.0000   0.0000 62.7952 32.2397 175.1573
  605   Q  4.5545 8.0176 115.5252 54.6331 31.4997 173.5297
  606   E  4.4598 8.5192 119.8116 55.1565 30.7567 175.5691
  607   I  4.2932 8.0580 125.4839 59.3542 40.4948 174.2869
  608   D  4.6008 8.3517 124.5885 52.9671 41.3129 176.0650
  609   F  4.3350 8.8263 124.5824 57.6980 39.1082 175.9088

  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   
  601   K  8.31 4.22 0.00 1.73 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 
  602   Q  8.77 3.85 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 
  603   E  8.37 4.66 0.00 1.97 1.84 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 2.39 2.20 0.00 
  604   P  0.00 4.57 0.00 2.19 2.07 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 
  605   Q  8.02 4.55 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 
  606   E  8.52 4.46 0.00 1.95 1.87 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 2.24 2.34 0.00 
  607   I  8.06 4.29 1.48 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 -0.18 0.00 0.00 
  608   D  8.35 4.60 0.00 2.57 2.50 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 
  609   F  8.83 4.34 0.00 3.04 2.97 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