NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.4461 8.3344 115.4144 58.3612 64.2949 172.4983
  3     H  4.7209 8.2228 121.1961 51.8072 32.2887 172.3021
  4     P  4.2953 0.0000   0.0000 64.6128 32.7173 176.9142
  5     Q  4.1313 7.8239 120.9523 58.7300 28.9830 175.6376
  6     N  5.1090 7.7750 111.3043 51.6074 42.6847 174.1885
  7     T  4.1394 8.3586 112.6042 62.3758 67.4591 174.2953

  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   
  2     S  8.33 4.45 0.00 3.99 3.94 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     H  8.22 4.72 0.00 3.23 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     P  0.00 4.30 0.00 2.17 2.10 0.00 3.22 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 
  5     Q  7.82 4.13 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 
  6     N  7.77 5.11 0.00 2.71 2.67 0.00 0.00 6.77 7.54 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 
  7     T  8.36 4.14 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