NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.3210 8.3449 121.7108 55.7515 30.1752 173.4641
  2     L  4.6541 8.1248 115.4963 50.8195 45.0026 175.0718
  3     S  4.1875 8.4921 118.0320 57.5991 64.2712 172.0048
  4     P  4.5460 0.0000   0.0000 61.9422 31.9817 175.5283
  5     F  3.9961 8.6798 120.6445 57.8514 39.6645 172.6512
  6     P  4.6725 0.0000   0.0000 61.5131 32.5927 175.6946
  7     F  4.7434 8.5472 118.7829 57.2813 39.5092 175.2350
  8     D  4.5210 8.8010 124.3953 55.1244 41.3200 176.9969
  9     L  4.2846 8.4431 120.7134 55.0769 41.8129 176.7098

  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     Q  8.34 4.32 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 
  2     L  8.12 4.65 0.00 1.68 1.51 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 
  3     S  8.49 4.19 0.00 3.94 3.85 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 0.00 0.00 0.00 0.00 
  4     P  0.00 4.55 0.00 2.27 2.16 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 
  5     F  8.68 4.00 0.00 3.06 3.09 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 0.00 0.00 0.00 0.00 
  6     P  0.00 4.67 0.00 2.15 1.90 0.00 2.49 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 
  7     F  8.55 4.74 0.00 3.01 2.99 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     D  8.80 4.52 0.00 2.68 2.68 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 
  9     L  8.44 4.28 0.00 1.64 1.59 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00