NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2596 8.4331 120.2258 56.1363 30.8461 175.4190
  2     G  3.7241 8.3497 111.9753 42.1152  0.0000 170.7187
  3     P  4.4129 0.0000   0.0000 62.3037 32.9805 173.9903
  4     R  4.4883 8.1072 119.2064 54.3377 31.4083 175.5823
  5     N  4.6277 8.5201 122.9219 53.3431 40.4368 174.4751
  6     Q  4.5308 7.7795 126.3233 55.1701 27.4500 178.6367
  7     D  4.0265 8.5004 112.8798 53.3940 41.4580 175.1890
  8     W  4.4908 8.0750 123.3072 55.9058 30.0088 176.6036
  9     L  4.2360 8.5781 118.5179 55.4081 41.0180 177.4775

  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     E  8.43 4.26 0.00 1.97 1.95 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 2.21 2.31 0.00 
  2     G  8.35 3.72 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 0.00 
  3     P  0.00 4.41 0.00 2.17 2.05 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 
  4     R  8.11 4.49 0.00 1.74 1.81 0.00 3.20 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 
  5     N  8.52 4.63 0.00 2.68 2.66 0.00 0.00 7.07 7.69 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     Q  7.78 4.53 0.00 1.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 
  7     D  8.50 4.03 0.00 2.56 2.49 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     W  8.08 4.49 0.00 3.51 3.00 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 
  9     L  8.58 4.24 0.00 1.71 1.64 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00