NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  49    N  4.6582 8.4244 118.2198 53.8515 38.0089 174.8730
  50    D  4.3052 8.1044 108.1162 53.7702 42.3968 173.8356
  51    K  4.4974 9.2206 124.9271 55.2724 34.3861 175.5892
  52    Y  4.4860 8.4781 120.3426 55.7577 39.7095 175.3890
  53    E  4.0650 8.8071 125.1743 55.5605 30.2546 174.8848
  54    P  4.3337 0.0000   0.0000 63.3977 32.0374 175.2458
  55    F  4.6892 7.6228 113.0509 56.2016 39.9122 173.2976
  56    W  4.2529 8.7727 127.0558 57.2099 30.2532 173.9145
  57    E  4.6440 9.4153 120.0950 55.8515 29.6375 176.3159

  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   
  49    N  8.42 4.66 0.00 2.86 2.86 0.00 0.00 5.86 7.17 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 
  50    D  8.10 4.31 0.00 2.70 2.65 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 
  51    K  9.22 4.50 0.00 1.80 1.77 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.48 7.81 
  52    Y  8.48 4.49 0.00 3.00 3.03 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 
  53    E  8.81 4.06 0.00 1.98 1.98 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 2.39 2.40 0.00 
  54    P  0.00 4.33 0.00 2.10 1.96 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 
  55    F  7.62 4.69 0.00 3.14 3.10 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 
  56    W  8.77 4.25 0.00 3.50 3.42 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 
  57    E  9.42 4.64 0.00 2.16 2.08 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 2.08 2.01 0.00