NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2374 8.2549 117.2786 55.7968 30.7099 174.8782
  2     R  4.0736 8.1582 118.4295 53.9565 31.0484 174.3963
  3     R  4.7652 8.7571 116.3777 53.9593 32.7311 175.5907
  4     W  4.1200 8.7172 119.6047 56.4516 29.7840 175.9749
  5     R  4.3600 8.6150 123.5220 55.7822 30.2329 175.7790
  6     R  4.4963 8.7432 123.7235 56.5225 32.0075 176.3293
  7     L  4.7010 7.6541 116.9466 52.7944 43.5181 176.4423
  8     T  4.2455 8.2145 113.1131 61.0239 69.8863 174.9728
  9     V  3.8039 8.1576 114.3435 61.8362 31.5947 176.4242

  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   
  1     R  8.25 4.24 0.00 1.91 1.99 0.00 3.01 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 
  2     R  8.16 4.07 0.00 1.74 1.78 0.00 3.02 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 
  3     R  8.76 4.77 0.00 1.96 1.94 0.00 3.10 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 
  4     W  8.72 4.12 0.00 3.46 3.05 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 
  5     R  8.61 4.36 0.00 1.80 1.89 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 
  6     R  8.74 4.50 0.00 1.85 1.95 0.00 3.21 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 
  7     L  7.65 4.70 0.00 1.63 1.59 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 
  8     T  8.21 4.25 4.25 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 1.23 0.00 0.00 
  9     V  8.16 3.80 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 0.68 0.00 0.00 0.94 0.00 0.00