NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3308 8.3301 115.2898 57.7472 63.4493 173.5505
  2     A  4.0118 8.4152 130.6291 49.6218 18.9141 174.4239
  3     P  4.5747 0.0000   0.0000 62.1479 33.4853 173.8243
  4     D  4.6755 8.4209 119.4722 53.5820 41.6996 176.2765
  5     T  4.6317 8.2955 113.9160 59.9377 70.9244 173.8837
  6     R  4.7208 8.0233 121.2012 53.2260 33.8837 173.4787
  7     P  4.1011 0.0000   0.0000 63.4177 31.8272 176.4791
  8     A  4.2244 8.5168 123.7430 52.4390 18.6972 177.0742

  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     S  8.33 4.33 0.00 3.85 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 
  2     A  8.42 4.01 1.27 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 4.57 0.00 2.19 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 
  4     D  8.42 4.68 0.00 2.67 2.64 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 
  5     T  8.30 4.63 4.24 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 1.21 0.00 0.00 
  6     R  8.02 4.72 0.00 1.77 1.83 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 
  7     P  0.00 4.10 0.00 2.03 2.03 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 
  8     A  8.52 4.22 1.23 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