NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2481 8.4331 121.4701 55.7419 30.7685 175.5229
  2     G  3.6397 8.4971 114.8567 43.6115  0.0000 171.3498
  3     S  4.5358 9.0426 115.7355 56.9298 65.6419 172.4347
  4     R  4.4497 8.0838 120.3113 54.2164 30.6533 176.2817
  5     N  4.5407 8.5826 120.6310 53.5277 40.8102 175.7426
  6     Q  4.0801 8.3913 122.5316 56.2921 27.2759 178.5979
  7     D  3.7954 8.7679 109.7172 53.2033 42.0552 174.5612
  8     W  4.5338 7.0261 124.5402 56.1042 30.0198 176.4101
  9     L  4.2368 8.5194 118.2451 55.3918 41.0694 177.4471

  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 4.25 0.00 1.94 1.92 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 2.19 2.32 0.00 
  2     G  8.50 3.64 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     S  9.04 4.54 0.00 3.97 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 
  4     R  8.08 4.45 0.00 1.77 1.89 0.00 3.20 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 
  5     N  8.58 4.54 0.00 2.70 2.73 0.00 0.00 7.05 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  8.39 4.08 0.00 1.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 
  7     D  8.77 3.80 0.00 2.48 2.41 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  7.03 4.53 0.00 3.32 3.18 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  8.52 4.24 0.00 1.71 1.64 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00