NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1001   Y  4.8862 8.1293 121.6955 57.0622 38.8935 174.9506
  1002   P  4.3018 0.0000   0.0000 60.1425 29.9375 172.7718
  1003   S  4.1029 7.7584 118.4130 57.0182 66.3129 174.6370
  1004   K  3.5772 8.6864 128.0369 56.1224 31.9312 173.4533
  1005   P  4.1265 0.0000   0.0000 66.2705 31.2717 175.8103
  1006   D  4.6536 9.0131 121.9359 54.2030 41.6720 175.6115

  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   
  1001   Y  8.13 4.89 0.00 2.86 3.02 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 
  1002   P  0.00 4.30 0.00 2.22 2.02 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 
  1003   S  7.76 4.10 0.00 2.72 2.63 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 
  1004   K  8.69 3.58 0.00 1.70 1.72 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 
  1005   P  0.00 4.13 0.00 2.08 2.04 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 
  1006   D  9.01 4.65 0.00 2.72 2.84 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