NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1001   Y  4.7383 8.1293 121.6921 57.0678 39.6452 175.3910
  1002   P  4.2316 0.0000   0.0000 60.1051 30.1371 172.3535
  1003   S  4.1350 7.6010 117.0107 57.3555 66.3194 175.8559
  1004   K  4.0236 8.7673 127.8487 56.9177 31.8166 176.0428

  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 4.74 0.00 2.86 2.96 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 4.23 0.00 2.18 2.00 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 1.89 1.98 0.00 
  1003   S  7.60 4.14 0.00 2.87 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  8.77 4.02 0.00 1.72 1.66 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.43 7.81