NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2589 8.4331 120.2258 56.1166 30.8430 175.4088
  2     G  3.7166 8.3438 111.8999 42.1901  0.0000 170.7013
  3     P  4.4449 0.0000   0.0000 62.2240 33.0574 173.9269
  4     R  4.5092 8.1101 119.1012 54.3542 31.5867 175.5059
  5     N  4.6459 8.5148 122.8043 53.2736 40.4721 174.4331
  6     Q  4.5401 7.7796 126.6426 55.1622 27.4616 178.6157
  7     D  4.0126 8.4926 112.8960 53.3728 41.4585 175.2173
  8     W  4.4833 8.0509 123.4431 55.9580 29.9971 176.5733
  9     L  4.2370 8.5749 118.5283 55.4006 41.0205 177.4705

  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  8.34 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 4.44 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 4.51 0.00 1.74 1.80 0.00 3.21 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 
  5     N  8.51 4.65 0.00 2.70 2.66 0.00 0.00 7.06 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 4.54 0.00 1.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 
  7     D  8.49 4.01 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  8.05 4.48 0.00 3.52 3.01 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  8.57 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