NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3887 8.3349 115.2885 57.6109 63.0704 173.5919
  2     L  3.9829 8.3269 128.0360 53.2557 42.1709 175.4639
  3     L  4.0266 8.4664 122.9144 55.8934 43.4545 176.4945
  4     M  3.8998 8.4964 123.9693 56.3748 32.7399 176.0430
  5     W  4.7643 7.8774 118.2943 54.7691 30.6910 175.0808
  6     I  4.5300 8.4001 124.1550 59.6713 38.8301 175.2912
  7     T  4.3671 8.4315 122.5563 62.6866 69.3990 174.9791
  8     Q  4.2536 8.3918 124.4179 55.6198 29.6714 176.6731
  9     V  3.8259 8.2167 112.7973 61.8451 31.6286 176.3310

  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     S  8.33 4.39 0.00 3.84 3.86 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 
  2     L  8.33 3.98 0.00 1.72 1.56 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.47 4.03 0.00 1.59 1.58 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.50 3.90 0.00 1.24 1.75 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.53 0.00 
  5     W  7.88 4.76 0.00 3.33 3.12 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 
  6     I  8.40 4.53 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 0.94 0.00 0.00 
  7     T  8.43 4.37 4.27 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 
  8     Q  8.39 4.25 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 
  9     V  8.22 3.83 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 0.66 0.00 0.00 0.94 0.00 0.00