NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2361 8.3101 120.1367 56.2753 33.5350 174.9486
  2     A  4.3611 8.2430 124.8265 48.9393 20.0982 172.4499
  3     V  3.9731 7.9575 120.4885 61.7102 33.2577 173.4758
  4     Y  4.9067 7.6132 117.3029 55.3488 40.8454 174.6035
  5     N  4.7303 8.7085 118.9404 52.5047 39.8482 173.1949
  6     L  4.4571 7.7341 116.8393 55.5770 44.6671 176.9992
  7     A  4.0811 8.0921 124.4210 52.5391 19.5843 178.2097
  8     T  4.2432 8.2110 112.7927 60.8317 70.0474 174.6101
  9     M  4.1883 8.5458 120.1398 55.9770 31.9346 176.6876

  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     K  8.31 4.24 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 
  2     A  8.24 4.36 1.30 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 0.00 0.00 
  3     V  7.96 3.97 2.07 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 0.78 0.00 0.00 0.85 0.00 0.00 
  4     Y  7.61 4.91 0.00 3.01 2.88 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     N  8.71 4.73 0.00 2.77 2.79 0.00 0.00 6.80 7.85 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     L  7.73 4.46 0.00 1.58 1.49 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 
  7     A  8.09 4.08 1.24 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 0.00 0.00 0.00 
  8     T  8.21 4.24 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 1.22 0.00 0.00 
  9     M  8.55 4.19 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00