*HEADER    IRON-SULFUR PROTEIN                     11-APR-00   1E10
*TITLE     [2FE-2S]-FERREDOXIN FROM HALOBACTERIUM SALINARUM
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: FERREDOXIN;
*COMPND   3 CHAIN: A
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HALOBACTERIUM HALOBIUM
*KEYWDS    NMR, FERREDOXIN, HALOBACTERIUM SALINARUM, HALOPHILIC
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    B.-L.MARG,K.SCHWEIMER,D.OESTERHELT,P.ROESCH,H.STICHT
*REVDAT   1   09-APR-01 1E10    0




*HEADER    IRON-SULFUR PROTEIN                      
*TITLE     [2FE-2S]-FERREDOXIN FROM HALOBACTERIUM SALINARUM
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: FERREDOXIN;
*COMPND   3 CHAIN: A
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HALOBACTERIUM HALOBIUM
*KEYWDS    NMR, FERREDOXIN, HALOBACTERIUM SALINARUM, HALOPHILIC
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    K.SCHWEIMER,B.-L.MARG,D.OESTERHELT,P.ROESCH,H.STICHT




! Distance restraints for the structure determination of H. salinarum
! Ferredoxin deduced from NMR-spectroscopy

assign (resid   1 and name HA   ) (resid 109 and name HA   ) 0.0 0.0 3.5
assign (resid   2 and name HA   ) (resid   2 and name HB   ) 0.0 0.0 5.0
assign (resid   2 and name HA   ) (resid   2 and name HG2* ) 0.0 0.0 5.0
assign (resid   2 and name HA   ) (resid  39 and name HG2* ) 0.0 0.0 5.0
assign (resid   2 and name HN   ) (resid   1 and name HA   ) 0.0 0.0 2.7
assign (resid   2 and name HN   ) (resid   2 and name HA   ) 0.0 0.0 5.0
assign (resid   2 and name HN   ) (resid   2 and name HB   ) 0.0 0.0 5.0
assign (resid   2 and name HN   ) (resid   2 and name HG2* ) 0.0 0.0 5.0
assign (resid   2 and name HN   ) (resid 109 and name HA   ) 0.0 0.0 3.5
assign (resid   2 and name HN   ) (resid 109 and name HB*  ) 0.0 0.0 5.0
assign (resid   2 and name HN   ) (resid 110 and name HA   ) 0.0 0.0 3.5
assign (resid   2 and name HN   ) (resid 111 and name HN   ) 0.0 0.0 5.0
assign (resid   3 and name HA   ) (resid   2 and name HG2* ) 0.0 0.0 5.0
assign (resid   3 and name HA   ) (resid   3 and name HG1* ) 0.0 0.0 5.0
assign (resid   3 and name HA   ) (resid   3 and name HG2* ) 0.0 0.0 5.0
assign (resid   3 and name HA   ) (resid 111 and name HB   ) 0.0 0.0 5.0
assign (resid   3 and name HA   ) (resid 111 and name HG1* ) 0.0 0.0 5.0
assign (resid   3 and name HA   ) (resid 111 and name HG2* ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid   2 and name HA   ) 0.0 0.0 2.7
assign (resid   3 and name HN   ) (resid   2 and name HB   ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid   2 and name HG2* ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid   3 and name HA   ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid   3 and name HB   ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid   3 and name HG1* ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid   3 and name HG2* ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid   4 and name HN   ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid  40 and name HB1  ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid  40 and name HN   ) 0.0 0.0 3.5
assign (resid   3 and name HN   ) (resid  41 and name HA   ) 0.0 0.0 5.0
assign (resid   3 and name HN   ) (resid  42 and name HG2* ) 0.0 0.0 5.0
assign (resid   4 and name HA   ) (resid   2 and name HG2* ) 0.0 0.0 5.0
assign (resid   4 and name HA   ) (resid   4 and name HB2  ) 0.0 0.0 5.0
assign (resid   4 and name HA   ) (resid   4 and name HG*  ) 0.0 0.0 5.0
assign (resid   4 and name HA   ) (resid  39 and name HG2* ) 0.0 0.0 3.5
assign (resid   4 and name HB1  ) (resid  39 and name HA   ) 0.0 0.0 5.0
assign (resid   4 and name HB2  ) (resid  24 and name HD*  ) 0.0 0.0 5.0
assign (resid   4 and name HB2  ) (resid  24 and name HE*  ) 0.0 0.0 5.0
assign (resid   4 and name HB2  ) (resid  24 and name HZ   ) 0.0 0.0 5.0
assign (resid   4 and name HB2  ) (resid  39 and name HA   ) 0.0 0.0 5.0
assign (resid   4 and name HG*  ) (resid  24 and name HD*  ) 0.0 0.0 3.5
assign (resid   4 and name HG*  ) (resid  24 and name HE*  ) 0.0 0.0 3.5
assign (resid   4 and name HN   ) (resid   2 and name HG2* ) 0.0 0.0 5.0
assign (resid   4 and name HN   ) (resid   3 and name HA   ) 0.0 0.0 2.7
assign (resid   4 and name HN   ) (resid   3 and name HG1* ) 0.0 0.0 5.0
assign (resid   4 and name HN   ) (resid   4 and name HA   ) 0.0 0.0 5.0
assign (resid   4 and name HN   ) (resid   4 and name HB2  ) 0.0 0.0 5.0
assign (resid   4 and name HN   ) (resid   4 and name HG*  ) 0.0 0.0 5.0
assign (resid   4 and name HN   ) (resid  39 and name HA   ) 0.0 0.0 5.0
assign (resid   4 and name HN   ) (resid 111 and name HB   ) 0.0 0.0 5.0
assign (resid   4 and name HN   ) (resid 112 and name HA   ) 0.0 0.0 3.5
assign (resid   4 and name HN   ) (resid 113 and name HN   ) 0.0 0.0 5.0
assign (resid   5 and name HA   ) (resid   5 and name HB1  ) 0.0 0.0 5.0
assign (resid   5 and name HA   ) (resid   5 and name HB2  ) 0.0 0.0 5.0
assign (resid   5 and name HA   ) (resid  24 and name HE*  ) 0.0 0.0 3.5
assign (resid   5 and name HA   ) (resid  24 and name HZ   ) 0.0 0.0 5.0
assign (resid   5 and name HA   ) (resid 113 and name HN   ) 0.0 0.0 3.5
assign (resid   5 and name HA   ) (resid 114 and name HA   ) 0.0 0.0 5.0
assign (resid   5 and name HD*  ) (resid   3 and name HG1* ) 0.0 0.0 5.0
assign (resid   5 and name HD*  ) (resid   4 and name HA   ) 0.0 0.0 5.0
assign (resid   5 and name HD*  ) (resid   5 and name HB1  ) 0.0 0.0 5.0
assign (resid   5 and name HD*  ) (resid   5 and name HB2  ) 0.0 0.0 5.0
assign (resid   5 and name HD*  ) (resid  40 and name HB1  ) 0.0 0.0 5.0
assign (resid   5 and name HD*  ) (resid  40 and name HB2  ) 0.0 0.0 5.0
assign (resid   5 and name HE*  ) (resid   5 and name HN   ) 0.0 0.0 5.0
assign (resid   5 and name HE*  ) (resid  38 and name HA2  ) 0.0 0.0 5.0
assign (resid   5 and name HE*  ) (resid  40 and name HA   ) 0.0 0.0 5.0
assign (resid   5 and name HE*  ) (resid  40 and name HB2  ) 0.0 0.0 5.0
assign (resid   5 and name HN   ) (resid   4 and name HA   ) 0.0 0.0 2.7
assign (resid   5 and name HN   ) (resid   4 and name HG*  ) 0.0 0.0 5.0
assign (resid   5 and name HN   ) (resid   5 and name HA   ) 0.0 0.0 5.0
assign (resid   5 and name HN   ) (resid   5 and name HB1  ) 0.0 0.0 5.0
assign (resid   5 and name HN   ) (resid   5 and name HB2  ) 0.0 0.0 5.0
assign (resid   5 and name HN   ) (resid   5 and name HD*  ) 0.0 0.0 5.0
assign (resid   5 and name HN   ) (resid  38 and name HA1  ) 0.0 0.0 5.0
assign (resid   5 and name HN   ) (resid  38 and name HN   ) 0.0 0.0 3.5
assign (resid   5 and name HN   ) (resid  39 and name HA   ) 0.0 0.0 3.5
assign (resid   5 and name HN   ) (resid  40 and name HA   ) 0.0 0.0 5.0
assign (resid   5 and name HN   ) (resid  40 and name HN   ) 0.0 0.0 5.0
assign (resid   6 and name HA   ) (resid   6 and name HB*  ) 0.0 0.0 5.0
assign (resid   6 and name HA   ) (resid   6 and name HD2* ) 0.0 0.0 5.0
assign (resid   6 and name HA   ) (resid   6 and name HG   ) 0.0 0.0 5.0
assign (resid   6 and name HA   ) (resid  24 and name HE*  ) 0.0 0.0 5.0
assign (resid   6 and name HA   ) (resid  37 and name HA   ) 0.0 0.0 2.7
assign (resid   6 and name HA   ) (resid  37 and name HB2  ) 0.0 0.0 5.0
assign (resid   6 and name HA   ) (resid  37 and name HD*  ) 0.0 0.0 5.0
assign (resid   6 and name HB*  ) (resid   6 and name HG   ) 0.0 0.0 5.0
assign (resid   6 and name HB*  ) (resid  24 and name HE*  ) 0.0 0.0 3.5
assign (resid   6 and name HD1* ) (resid  11 and name HA   ) 0.0 0.0 5.0
assign (resid   6 and name HD1* ) (resid  23 and name HD1* ) 0.0 0.0 3.5
assign (resid   6 and name HD1* ) (resid  24 and name HA   ) 0.0 0.0 3.5
assign (resid   6 and name HD1* ) (resid  24 and name HD*  ) 0.0 0.0 5.0
assign (resid   6 and name HD1* ) (resid  24 and name HE*  ) 0.0 0.0 5.0
assign (resid   6 and name HD1* ) (resid  24 and name HZ   ) 0.0 0.0 5.0
assign (resid   6 and name HD1* ) (resid  27 and name HB*  ) 0.0 0.0 3.5
assign (resid   6 and name HD2* ) (resid   6 and name HG   ) 0.0 0.0 5.0
assign (resid   6 and name HD2* ) (resid  11 and name HA   ) 0.0 0.0 5.0
assign (resid   6 and name HG   ) (resid  24 and name HN   ) 0.0 0.0 5.0
assign (resid   6 and name HN   ) (resid   5 and name HA   ) 0.0 0.0 2.7
assign (resid   6 and name HN   ) (resid   5 and name HB1  ) 0.0 0.0 5.0
assign (resid   6 and name HN   ) (resid   5 and name HB2  ) 0.0 0.0 5.0
assign (resid   6 and name HN   ) (resid   6 and name HA   ) 0.0 0.0 5.0
assign (resid   6 and name HN   ) (resid   6 and name HB*  ) 0.0 0.0 5.0
assign (resid   6 and name HN   ) (resid  24 and name HE*  ) 0.0 0.0 3.5
assign (resid   6 and name HN   ) (resid  24 and name HZ   ) 0.0 0.0 5.0
assign (resid   6 and name HN   ) (resid  37 and name HA   ) 0.0 0.0 5.0
assign (resid   6 and name HN   ) (resid 114 and name HA   ) 0.0 0.0 2.7
assign (resid   6 and name HN   ) (resid 114 and name HG1* ) 0.0 0.0 5.0
assign (resid   6 and name HN   ) (resid 114 and name HG2* ) 0.0 0.0 5.0
assign (resid   6 and name HN   ) (resid 115 and name HD*  ) 0.0 0.0 5.0
assign (resid   7 and name HD22 ) (resid  36 and name HA   ) 0.0 0.0 5.0
assign (resid   7 and name HN   ) (resid   6 and name HA   ) 0.0 0.0 2.7
assign (resid   7 and name HN   ) (resid   6 and name HB*  ) 0.0 0.0 5.0
assign (resid   7 and name HN   ) (resid   6 and name HD2* ) 0.0 0.0 5.0
assign (resid   7 and name HN   ) (resid   7 and name HA   ) 0.0 0.0 5.0
assign (resid   7 and name HN   ) (resid   7 and name HB1  ) 0.0 0.0 5.0
assign (resid   7 and name HN   ) (resid   7 and name HB2  ) 0.0 0.0 5.0
assign (resid   7 and name HN   ) (resid  36 and name HA   ) 0.0 0.0 3.5
assign (resid   7 and name HN   ) (resid  37 and name HA   ) 0.0 0.0 5.0
assign (resid   7 and name HN   ) (resid  37 and name HD*  ) 0.0 0.0 5.0
assign (resid   7 and name HN   ) (resid 115 and name HD*  ) 0.0 0.0 5.0
assign (resid   8 and name HN   ) (resid   7 and name HA   ) 0.0 0.0 5.0
assign (resid   8 and name HN   ) (resid   8 and name HA   ) 0.0 0.0 5.0
assign (resid   8 and name HN   ) (resid   8 and name HB1  ) 0.0 0.0 5.0
assign (resid   8 and name HN   ) (resid   8 and name HB2  ) 0.0 0.0 5.0
assign (resid   8 and name HN   ) (resid 116 and name HB1  ) 0.0 0.0 3.5
assign (resid   8 and name HN   ) (resid 116 and name HB2  ) 0.0 0.0 5.0
assign (resid   9 and name HA   ) (resid  12 and name HB*  ) 0.0 0.0 3.5
assign (resid   9 and name HN   ) (resid   7 and name HA   ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid   7 and name HD21 ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid   8 and name HA   ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid   8 and name HB1  ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid   8 and name HB2  ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid   8 and name HN   ) 0.0 0.0 2.7
assign (resid   9 and name HN   ) (resid   9 and name HA   ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid  10 and name HN   ) 0.0 0.0 2.7
assign (resid   9 and name HN   ) (resid 114 and name HG2* ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid 116 and name HB1  ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid 119 and name HB1  ) 0.0 0.0 5.0
assign (resid  10 and name HA   ) (resid  13 and name HB1  ) 0.0 0.0 5.0
assign (resid  10 and name HA   ) (resid  13 and name HB2  ) 0.0 0.0 3.5
assign (resid  10 and name HB   ) (resid  23 and name HD1* ) 0.0 0.0 5.0
assign (resid  10 and name HB   ) (resid  32 and name HD2* ) 0.0 0.0 5.0
assign (resid  10 and name HN   ) (resid   7 and name HB1  ) 0.0 0.0 5.0
assign (resid  10 and name HN   ) (resid   7 and name HB2  ) 0.0 0.0 3.5
assign (resid  10 and name HN   ) (resid   7 and name HD22 ) 0.0 0.0 3.5
assign (resid  10 and name HN   ) (resid   9 and name HA   ) 0.0 0.0 5.0
assign (resid  10 and name HN   ) (resid  10 and name HA   ) 0.0 0.0 5.0
assign (resid  10 and name HN   ) (resid  10 and name HB   ) 0.0 0.0 5.0
assign (resid  10 and name HN   ) (resid  10 and name HG2* ) 0.0 0.0 5.0
assign (resid  10 and name HN   ) (resid  11 and name HN   ) 0.0 0.0 2.7
assign (resid  11 and name HD2* ) (resid  23 and name HD1* ) 0.0 0.0 3.5
assign (resid  11 and name HN   ) (resid   8 and name HA   ) 0.0 0.0 3.5
assign (resid  11 and name HN   ) (resid  10 and name HA   ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  10 and name HB   ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  10 and name HG2* ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  10 and name HN   ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  11 and name HA   ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  11 and name HB*  ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  11 and name HD1* ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  12 and name HN   ) 0.0 0.0 2.7
assign (resid  11 and name HN   ) (resid  13 and name HN   ) 0.0 0.0 5.0
assign (resid  12 and name HA   ) (resid  11 and name HB*  ) 0.0 0.0 5.0
assign (resid  12 and name HA   ) (resid  12 and name HB*  ) 0.0 0.0 5.0
assign (resid  12 and name HN   ) (resid   9 and name HA   ) 0.0 0.0 3.5
assign (resid  12 and name HN   ) (resid  11 and name HA   ) 0.0 0.0 5.0
assign (resid  12 and name HN   ) (resid  11 and name HB*  ) 0.0 0.0 5.0
assign (resid  12 and name HN   ) (resid  12 and name HA   ) 0.0 0.0 5.0
assign (resid  12 and name HN   ) (resid  12 and name HB*  ) 0.0 0.0 5.0
assign (resid  12 and name HN   ) (resid  13 and name HN   ) 0.0 0.0 2.7
assign (resid  13 and name HA   ) (resid  12 and name HB*  ) 0.0 0.0 5.0
assign (resid  13 and name HA   ) (resid  13 and name HB*  ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid   9 and name HA   ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  12 and name HB*  ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  12 and name HN   ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  13 and name HA   ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  13 and name HB*  ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  14 and name HN   ) 0.0 0.0 3.5
assign (resid  14 and name HB1  ) (resid  23 and name HD1* ) 0.0 0.0 5.0
assign (resid  14 and name HE21 ) (resid  10 and name HG2* ) 0.0 0.0 5.0
assign (resid  14 and name HE21 ) (resid  30 and name HB*  ) 0.0 0.0 5.0
assign (resid  14 and name HE21 ) (resid  32 and name HD1* ) 0.0 0.0 5.0
assign (resid  14 and name HE22 ) (resid  10 and name HG2* ) 0.0 0.0 5.0
assign (resid  14 and name HE22 ) (resid  30 and name HB*  ) 0.0 0.0 5.0
assign (resid  14 and name HE22 ) (resid  32 and name HD1* ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  10 and name HA   ) 0.0 0.0 3.5
assign (resid  14 and name HN   ) (resid  10 and name HG2* ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  11 and name HA   ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  13 and name HA   ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  13 and name HB*  ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  14 and name HA   ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  14 and name HB1  ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  14 and name HB2  ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  14 and name HG*  ) 0.0 0.0 5.0
assign (resid  15 and name HN   ) (resid  12 and name HA   ) 0.0 0.0 3.5
assign (resid  15 and name HN   ) (resid  13 and name HN   ) 0.0 0.0 5.0
assign (resid  15 and name HN   ) (resid  14 and name HA   ) 0.0 0.0 5.0
assign (resid  15 and name HN   ) (resid  14 and name HB1  ) 0.0 0.0 5.0
assign (resid  15 and name HN   ) (resid  14 and name HB2  ) 0.0 0.0 5.0
assign (resid  15 and name HN   ) (resid  14 and name HG*  ) 0.0 0.0 5.0
assign (resid  15 and name HN   ) (resid  14 and name HN   ) 0.0 0.0 2.7
assign (resid  15 and name HN   ) (resid  15 and name HA*  ) 0.0 0.0 5.0
assign (resid  15 and name HN   ) (resid  16 and name HN   ) 0.0 0.0 2.7
assign (resid  16 and name HA   ) (resid  15 and name HA*  ) 0.0 0.0 5.0
assign (resid  16 and name HA   ) (resid  16 and name HB1  ) 0.0 0.0 5.0
assign (resid  16 and name HA   ) (resid  16 and name HB2  ) 0.0 0.0 5.0
assign (resid  16 and name HA   ) (resid  17 and name HB2  ) 0.0 0.0 5.0
assign (resid  16 and name HA   ) (resid  21 and name HB*  ) 0.0 0.0 5.0
assign (resid  16 and name HA   ) (resid  23 and name HD1* ) 0.0 0.0 5.0
assign (resid  16 and name HB1  ) (resid  11 and name HD1* ) 0.0 0.0 3.5
assign (resid  16 and name HB1  ) (resid  23 and name HD1* ) 0.0 0.0 5.0
assign (resid  16 and name HB2  ) (resid  11 and name HD1* ) 0.0 0.0 3.5
assign (resid  16 and name HB2  ) (resid  23 and name HD1* ) 0.0 0.0 3.5
assign (resid  16 and name HB2  ) (resid  23 and name HD2* ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  11 and name HA   ) 0.0 0.0 3.5
assign (resid  16 and name HN   ) (resid  11 and name HD1* ) 0.0 0.0 2.7
assign (resid  16 and name HN   ) (resid  12 and name HA   ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  14 and name HB1  ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  14 and name HB2  ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  14 and name HG*  ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  14 and name HN   ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  15 and name HA*  ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  16 and name HA   ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  16 and name HB1  ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  16 and name HB2  ) 0.0 0.0 5.0
assign (resid  17 and name HA   ) (resid  11 and name HD1  ) 0.0 0.0 5.0
assign (resid  17 and name HA   ) (resid  17 and name HB1  ) 0.0 0.0 5.0
assign (resid  17 and name HA   ) (resid  17 and name HB2  ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  11 and name HD1* ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  16 and name HA   ) 0.0 0.0 2.7
assign (resid  17 and name HN   ) (resid  16 and name HB1  ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  16 and name HB2  ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  16 and name HD1  ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  16 and name HN   ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  17 and name HA   ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  17 and name HB1  ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  17 and name HB2  ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  18 and name HN   ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  23 and name HD1* ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  23 and name HD2* ) 0.0 0.0 5.0
assign (resid  18 and name HN   ) (resid  11 and name HD1* ) 0.0 0.0 5.0
assign (resid  18 and name HN   ) (resid  11 and name HD2* ) 0.0 0.0 5.0
assign (resid  18 and name HN   ) (resid  17 and name HB1  ) 0.0 0.0 5.0
assign (resid  18 and name HN   ) (resid  18 and name HA   ) 0.0 0.0 5.0
assign (resid  18 and name HN   ) (resid  18 and name HB*  ) 0.0 0.0 5.0
assign (resid  18 and name HN   ) (resid  19 and name HN   ) 0.0 0.0 2.7
assign (resid  19 and name HA   ) (resid  19 and name HB1  ) 0.0 0.0 5.0
assign (resid  19 and name HA   ) (resid  19 and name HB2  ) 0.0 0.0 5.0
assign (resid  19 and name HN   ) (resid  17 and name HA   ) 0.0 0.0 5.0
assign (resid  19 and name HN   ) (resid  17 and name HB1  ) 0.0 0.0 5.0
assign (resid  19 and name HN   ) (resid  18 and name HA   ) 0.0 0.0 5.0
assign (resid  19 and name HN   ) (resid  18 and name HB*  ) 0.0 0.0 5.0
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assign (resid 111 and name HN   ) (resid 111 and name HA   ) 0.0 0.0 5.0
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assign (resid 111 and name HN   ) (resid 111 and name HG1* ) 0.0 0.0 5.0
assign (resid 111 and name HN   ) (resid 111 and name HG2* ) 0.0 0.0 5.0
assign (resid 112 and name HA   ) (resid   4 and name HB2  ) 0.0 0.0 5.0
assign (resid 112 and name HA   ) (resid 111 and name HG1* ) 0.0 0.0 5.0
assign (resid 112 and name HA   ) (resid 113 and name HG2* ) 0.0 0.0 5.0
assign (resid 112 and name HB1  ) (resid  24 and name HD*  ) 0.0 0.0 5.0
assign (resid 112 and name HB1  ) (resid  24 and name HE*  ) 0.0 0.0 3.5
assign (resid 112 and name HB1  ) (resid  24 and name HZ   ) 0.0 0.0 3.5
assign (resid 112 and name HB2  ) (resid  24 and name HD*  ) 0.0 0.0 5.0
assign (resid 112 and name HB2  ) (resid  24 and name HE*  ) 0.0 0.0 5.0
assign (resid 112 and name HB2  ) (resid  24 and name HZ   ) 0.0 0.0 5.0
assign (resid 112 and name HB2  ) (resid  77 and name HN   ) 0.0 0.0 3.5
assign (resid 112 and name HN   ) (resid  75 and name HG2* ) 0.0 0.0 5.0
assign (resid 112 and name HN   ) (resid  77 and name HB1  ) 0.0 0.0 5.0
assign (resid 112 and name HN   ) (resid  77 and name HB2  ) 0.0 0.0 5.0
assign (resid 112 and name HN   ) (resid  78 and name HA2  ) 0.0 0.0 5.0
assign (resid 112 and name HN   ) (resid 111 and name HA   ) 0.0 0.0 2.7
assign (resid 112 and name HN   ) (resid 111 and name HG1* ) 0.0 0.0 5.0
assign (resid 112 and name HN   ) (resid 111 and name HG2* ) 0.0 0.0 5.0
assign (resid 112 and name HN   ) (resid 112 and name HA   ) 0.0 0.0 5.0
assign (resid 113 and name HA   ) (resid  24 and name HZ   ) 0.0 0.0 5.0
assign (resid 113 and name HA   ) (resid  75 and name HA   ) 0.0 0.0 3.5
assign (resid 113 and name HA   ) (resid  75 and name HG2* ) 0.0 0.0 5.0
assign (resid 113 and name HA   ) (resid  76 and name HB2  ) 0.0 0.0 5.0
assign (resid 113 and name HA   ) (resid  76 and name HN   ) 0.0 0.0 3.5
assign (resid 113 and name HA   ) (resid 113 and name HB   ) 0.0 0.0 5.0
assign (resid 113 and name HA   ) (resid 113 and name HD1* ) 0.0 0.0 5.0
assign (resid 113 and name HA   ) (resid 113 and name HG11 ) 0.0 0.0 5.0
assign (resid 113 and name HA   ) (resid 113 and name HG2* ) 0.0 0.0 5.0
assign (resid 113 and name HA   ) (resid 113 and name HN   ) 0.0 0.0 5.0
assign (resid 113 and name HN   ) (resid   4 and name HB2  ) 0.0 0.0 5.0
assign (resid 113 and name HN   ) (resid   5 and name HA   ) 0.0 0.0 5.0
assign (resid 113 and name HN   ) (resid   6 and name HN   ) 0.0 0.0 5.0
assign (resid 113 and name HN   ) (resid  24 and name HE*  ) 0.0 0.0 5.0
assign (resid 113 and name HN   ) (resid  24 and name HZ   ) 0.0 0.0 5.0
assign (resid 113 and name HN   ) (resid 112 and name HA   ) 0.0 0.0 2.7
assign (resid 113 and name HN   ) (resid 113 and name HG2* ) 0.0 0.0 5.0
assign (resid 114 and name HA   ) (resid   6 and name HB*  ) 0.0 0.0 5.0
assign (resid 114 and name HA   ) (resid 114 and name HB   ) 0.0 0.0 5.0
assign (resid 114 and name HA   ) (resid 114 and name HG1* ) 0.0 0.0 5.0
assign (resid 114 and name HA   ) (resid 114 and name HG2* ) 0.0 0.0 5.0
assign (resid 114 and name HG2* ) (resid   8 and name HN   ) 0.0 0.0 3.5
assign (resid 114 and name HN   ) (resid  73 and name HB*  ) 0.0 0.0 5.0
assign (resid 114 and name HN   ) (resid  74 and name HG2* ) 0.0 0.0 5.0
assign (resid 114 and name HN   ) (resid  75 and name HA   ) 0.0 0.0 3.5
assign (resid 114 and name HN   ) (resid 113 and name HA   ) 0.0 0.0 2.7
assign (resid 114 and name HN   ) (resid 113 and name HB   ) 0.0 0.0 5.0
assign (resid 114 and name HN   ) (resid 113 and name HD1* ) 0.0 0.0 5.0
assign (resid 114 and name HN   ) (resid 113 and name HG2* ) 0.0 0.0 5.0
assign (resid 114 and name HN   ) (resid 114 and name HA   ) 0.0 0.0 5.0
assign (resid 114 and name HN   ) (resid 114 and name HB   ) 0.0 0.0 5.0
assign (resid 114 and name HN   ) (resid 114 and name HG1* ) 0.0 0.0 5.0
assign (resid 115 and name HA   ) (resid  73 and name HB*  ) 0.0 0.0 5.0
assign (resid 115 and name HA   ) (resid 115 and name HB*  ) 0.0 0.0 5.0
assign (resid 115 and name HA   ) (resid 117 and name HB*  ) 0.0 0.0 5.0
assign (resid 115 and name HD*  ) (resid   5 and name HB1  ) 0.0 0.0 5.0
assign (resid 115 and name HD*  ) (resid   7 and name HA   ) 0.0 0.0 5.0
assign (resid 115 and name HD*  ) (resid   7 and name HB2  ) 0.0 0.0 5.0
assign (resid 115 and name HD*  ) (resid  36 and name HA   ) 0.0 0.0 3.5
assign (resid 115 and name HD*  ) (resid  59 and name HA   ) 0.0 0.0 5.0
assign (resid 115 and name HD*  ) (resid  59 and name HE1  ) 0.0 0.0 5.0
assign (resid 115 and name HD*  ) (resid  59 and name HZ2  ) 0.0 0.0 5.0
assign (resid 115 and name HD*  ) (resid 115 and name HA   ) 0.0 0.0 5.0
assign (resid 115 and name HD*  ) (resid 115 and name HB*  ) 0.0 0.0 5.0
assign (resid 115 and name HD*  ) (resid 116 and name HB2  ) 0.0 0.0 5.0
assign (resid 115 and name HE*  ) (resid   7 and name HA   ) 0.0 0.0 5.0
assign (resid 115 and name HE*  ) (resid   7 and name HB1  ) 0.0 0.0 5.0
assign (resid 115 and name HE*  ) (resid   7 and name HB2  ) 0.0 0.0 5.0
assign (resid 115 and name HE*  ) (resid   7 and name HN   ) 0.0 0.0 3.5
assign (resid 115 and name HE*  ) (resid 115 and name HB*  ) 0.0 0.0 5.0
assign (resid 115 and name HE*  ) (resid 116 and name HB1  ) 0.0 0.0 5.0
assign (resid 115 and name HE*  ) (resid 116 and name HB2  ) 0.0 0.0 5.0
assign (resid 115 and name HN   ) (resid   5 and name HA   ) 0.0 0.0 5.0
assign (resid 115 and name HN   ) (resid   5 and name HB1  ) 0.0 0.0 5.0
assign (resid 115 and name HN   ) (resid   6 and name HB*  ) 0.0 0.0 5.0
assign (resid 115 and name HN   ) (resid   6 and name HN   ) 0.0 0.0 3.5
assign (resid 115 and name HN   ) (resid   7 and name HA   ) 0.0 0.0 3.5
assign (resid 115 and name HN   ) (resid 114 and name HA   ) 0.0 0.0 2.7
assign (resid 115 and name HN   ) (resid 114 and name HG2* ) 0.0 0.0 5.0
assign (resid 115 and name HN   ) (resid 115 and name HA   ) 0.0 0.0 5.0
assign (resid 115 and name HN   ) (resid 115 and name HB*  ) 0.0 0.0 5.0
assign (resid 115 and name HN   ) (resid 115 and name HD*  ) 0.0 0.0 5.0
assign (resid 116 and name HA   ) (resid 115 and name HD*  ) 0.0 0.0 5.0
assign (resid 116 and name HA   ) (resid 116 and name HB1  ) 0.0 0.0 5.0
assign (resid 116 and name HA   ) (resid 116 and name HB2  ) 0.0 0.0 5.0
assign (resid 116 and name HA   ) (resid 118 and name HN   ) 0.0 0.0 5.0
assign (resid 116 and name HD21 ) (resid 116 and name HB2  ) 0.0 0.0 5.0
assign (resid 116 and name HN   ) (resid  60 and name HG*  ) 0.0 0.0 3.5
assign (resid 116 and name HN   ) (resid 115 and name HB*  ) 0.0 0.0 5.0
assign (resid 116 and name HN   ) (resid 115 and name HD*  ) 0.0 0.0 5.0
assign (resid 116 and name HN   ) (resid 116 and name HA   ) 0.0 0.0 5.0
assign (resid 116 and name HN   ) (resid 117 and name HB*  ) 0.0 0.0 5.0
assign (resid 116 and name HN   ) (resid 117 and name HN   ) 0.0 0.0 2.7
assign (resid 117 and name HB*  ) (resid 123 and name HD1* ) 0.0 0.0 5.0
assign (resid 117 and name HN   ) (resid  72 and name HB*  ) 0.0 0.0 5.0
assign (resid 117 and name HN   ) (resid 116 and name HA   ) 0.0 0.0 3.5
assign (resid 117 and name HN   ) (resid 117 and name HA   ) 0.0 0.0 5.0
assign (resid 117 and name HN   ) (resid 117 and name HB*  ) 0.0 0.0 5.0
assign (resid 117 and name HN   ) (resid 118 and name HN   ) 0.0 0.0 3.5
assign (resid 118 and name HE2  ) (resid 118 and name HG*  ) 0.0 0.0 5.0
assign (resid 118 and name HN   ) (resid  72 and name HB*  ) 0.0 0.0 5.0
assign (resid 118 and name HN   ) (resid 117 and name HA   ) 0.0 0.0 3.5
assign (resid 118 and name HN   ) (resid 117 and name HB*  ) 0.0 0.0 5.0
assign (resid 118 and name HN   ) (resid 118 and name HA   ) 0.0 0.0 5.0
assign (resid 118 and name HN   ) (resid 118 and name HG*  ) 0.0 0.0 5.0
assign (resid 118 and name HN   ) (resid 119 and name HN   ) 0.0 0.0 5.0
assign (resid 119 and name HB1  ) (resid   8 and name HD*  ) 0.0 0.0 3.5
assign (resid 119 and name HB1  ) (resid   8 and name HE*  ) 0.0 0.0 3.5
assign (resid 119 and name HB2  ) (resid   8 and name HD*  ) 0.0 0.0 3.5
assign (resid 119 and name HB2  ) (resid   8 and name HE*  ) 0.0 0.0 3.5
assign (resid 119 and name HD2  ) (resid   8 and name HB1  ) 0.0 0.0 5.0
assign (resid 119 and name HD2  ) (resid   8 and name HB2  ) 0.0 0.0 5.0
assign (resid 119 and name HD2  ) (resid   8 and name HD*  ) 0.0 0.0 3.5
assign (resid 119 and name HD2  ) (resid 116 and name HA   ) 0.0 0.0 5.0
assign (resid 119 and name HD2  ) (resid 116 and name HB1  ) 0.0 0.0 3.5
assign (resid 119 and name HD2  ) (resid 116 and name HB2  ) 0.0 0.0 3.5
assign (resid 119 and name HD2  ) (resid 118 and name HG*  ) 0.0 0.0 5.0
assign (resid 119 and name HD2  ) (resid 119 and name HA   ) 0.0 0.0 5.0
assign (resid 119 and name HD2  ) (resid 119 and name HB1  ) 0.0 0.0 5.0
assign (resid 119 and name HD2  ) (resid 119 and name HB2  ) 0.0 0.0 5.0
assign (resid 119 and name HN   ) (resid   8 and name HD*  ) 0.0 0.0 5.0
assign (resid 119 and name HN   ) (resid   8 and name HE*  ) 0.0 0.0 5.0
assign (resid 119 and name HN   ) (resid 117 and name HA   ) 0.0 0.0 3.5
assign (resid 119 and name HN   ) (resid 118 and name HA   ) 0.0 0.0 3.5
assign (resid 119 and name HN   ) (resid 118 and name HD2  ) 0.0 0.0 5.0
assign (resid 119 and name HN   ) (resid 118 and name HG*  ) 0.0 0.0 5.0
assign (resid 119 and name HN   ) (resid 118 and name HN   ) 0.0 0.0 3.5
assign (resid 119 and name HN   ) (resid 119 and name HA   ) 0.0 0.0 5.0
assign (resid 119 and name HN   ) (resid 119 and name HB1  ) 0.0 0.0 5.0
assign (resid 119 and name HN   ) (resid 119 and name HB2  ) 0.0 0.0 5.0
assign (resid 119 and name HN   ) (resid 119 and name HD2  ) 0.0 0.0 3.5
assign (resid 119 and name HN   ) (resid 120 and name HN   ) 0.0 0.0 2.7
assign (resid 120 and name HN   ) (resid 117 and name HA   ) 0.0 0.0 3.5
assign (resid 120 and name HN   ) (resid 118 and name HA   ) 0.0 0.0 5.0
assign (resid 120 and name HN   ) (resid 119 and name HA   ) 0.0 0.0 5.0
assign (resid 120 and name HN   ) (resid 119 and name HB1  ) 0.0 0.0 5.0
assign (resid 120 and name HN   ) (resid 119 and name HB2  ) 0.0 0.0 5.0
assign (resid 120 and name HN   ) (resid 119 and name HN   ) 0.0 0.0 3.5
assign (resid 120 and name HN   ) (resid 120 and name HA   ) 0.0 0.0 5.0
assign (resid 120 and name HN   ) (resid 120 and name HB*  ) 0.0 0.0 5.0
assign (resid 120 and name HN   ) (resid 121 and name HN   ) 0.0 0.0 5.0
assign (resid 120 and name HN   ) (resid 123 and name HB2  ) 0.0 0.0 5.0
assign (resid 121 and name HA   ) (resid 124 and name HB*  ) 0.0 0.0 3.5
assign (resid 121 and name HN   ) (resid 120 and name HA   ) 0.0 0.0 2.7
assign (resid 121 and name HN   ) (resid 120 and name HB*  ) 0.0 0.0 5.0
assign (resid 121 and name HN   ) (resid 121 and name HA   ) 0.0 0.0 5.0
assign (resid 121 and name HN   ) (resid 121 and name HB*  ) 0.0 0.0 5.0
assign (resid 121 and name HN   ) (resid 122 and name HN   ) 0.0 0.0 3.5
assign (resid 122 and name HA   ) (resid 122 and name HB1  ) 0.0 0.0 5.0
assign (resid 122 and name HA   ) (resid 122 and name HB2  ) 0.0 0.0 5.0
assign (resid 122 and name HD*  ) (resid 122 and name HA   ) 0.0 0.0 5.0
assign (resid 122 and name HD*  ) (resid 122 and name HB1  ) 0.0 0.0 5.0
assign (resid 122 and name HD*  ) (resid 122 and name HB2  ) 0.0 0.0 5.0
assign (resid 122 and name HD*  ) (resid 123 and name HA   ) 0.0 0.0 5.0
assign (resid 122 and name HD*  ) (resid 123 and name HD2* ) 0.0 0.0 5.0
assign (resid 122 and name HD*  ) (resid 123 and name HG   ) 0.0 0.0 5.0
assign (resid 122 and name HN   ) (resid 120 and name HA   ) 0.0 0.0 5.0
assign (resid 122 and name HN   ) (resid 120 and name HB*  ) 0.0 0.0 5.0
assign (resid 122 and name HN   ) (resid 121 and name HA   ) 0.0 0.0 5.0
assign (resid 122 and name HN   ) (resid 122 and name HA   ) 0.0 0.0 5.0
assign (resid 122 and name HN   ) (resid 122 and name HB1  ) 0.0 0.0 5.0
assign (resid 122 and name HN   ) (resid 122 and name HB2  ) 0.0 0.0 5.0
assign (resid 122 and name HN   ) (resid 122 and name HD*  ) 0.0 0.0 5.0
assign (resid 123 and name HA   ) (resid 123 and name HB1  ) 0.0 0.0 5.0
assign (resid 123 and name HA   ) (resid 123 and name HB2  ) 0.0 0.0 5.0
assign (resid 123 and name HA   ) (resid 123 and name HD1* ) 0.0 0.0 5.0
assign (resid 123 and name HA   ) (resid 123 and name HD2* ) 0.0 0.0 5.0
assign (resid 123 and name HA   ) (resid 123 and name HG   ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 120 and name HB*  ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 122 and name HA   ) 0.0 0.0 3.5
assign (resid 123 and name HN   ) (resid 122 and name HB1  ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 122 and name HD*  ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 122 and name HN   ) 0.0 0.0 2.7
assign (resid 123 and name HN   ) (resid 123 and name HA   ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 123 and name HB1  ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 123 and name HB2  ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 123 and name HD1* ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 123 and name HD2* ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 123 and name HG   ) 0.0 0.0 5.0
assign (resid 123 and name HN   ) (resid 124 and name HN   ) 0.0 0.0 2.7
assign (resid 124 and name HE22 ) (resid 119 and name HA   ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 120 and name HB*  ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 121 and name HA   ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 122 and name HA   ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 122 and name HN   ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 123 and name HA   ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 123 and name HB1  ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 123 and name HB2  ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 123 and name HN   ) 0.0 0.0 2.7
assign (resid 124 and name HN   ) (resid 124 and name HA   ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 124 and name HB*  ) 0.0 0.0 5.0
assign (resid 124 and name HN   ) (resid 125 and name HN   ) 0.0 0.0 3.5
assign (resid 125 and name HA   ) (resid 125 and name HB1  ) 0.0 0.0 5.0
assign (resid 125 and name HA   ) (resid 125 and name HB2  ) 0.0 0.0 5.0
assign (resid 125 and name HN   ) (resid 124 and name HA   ) 0.0 0.0 3.5
assign (resid 125 and name HN   ) (resid 124 and name HB*  ) 0.0 0.0 5.0
assign (resid 125 and name HN   ) (resid 125 and name HA   ) 0.0 0.0 5.0
assign (resid 125 and name HN   ) (resid 125 and name HB1  ) 0.0 0.0 5.0
assign (resid 125 and name HN   ) (resid 125 and name HB2  ) 0.0 0.0 5.0
assign (resid 125 and name HN   ) (resid 126 and name HN   ) 0.0 0.0 3.5
assign (resid 126 and name HN   ) (resid 123 and name HA   ) 0.0 0.0 5.0
assign (resid 126 and name HN   ) (resid 124 and name HA   ) 0.0 0.0 5.0
assign (resid 126 and name HN   ) (resid 125 and name HA   ) 0.0 0.0 5.0
assign (resid 126 and name HN   ) (resid 126 and name HA   ) 0.0 0.0 5.0
assign (resid 127 and name HN   ) (resid 124 and name HA   ) 0.0 0.0 5.0
assign (resid 127 and name HN   ) (resid 125 and name HA   ) 0.0 0.0 5.0
assign (resid 127 and name HN   ) (resid 126 and name HA   ) 0.0 0.0 5.0
assign (resid 127 and name HN   ) (resid 126 and name HN   ) 0.0 0.0 3.5



! Hydrogen bond restraints deduced from slow amide proton exchange in D2O

assign (resid 3 and name hn ) (resid 40 and name o) 0.0 0.0 2.3
assign (resid 3 and name n) (resid 40 and name o)   0.0 0.0 3.3

assign (resid 4 and name hn ) (resid 111 and name o) 0.0 0.0 2.3
assign (resid 4 and name n) (resid 111 and name o)   0.0 0.0 3.3

assign (resid 5 and name hn ) (resid 38 and name o) 0.0 0.0 2.3
assign (resid 5 and name n) (resid 38 and name o)   0.0 0.0 3.3

assign (resid 6 and name hn ) (resid 113 and name o) 0.0 0.0 2.3
assign (resid 6 and name n) (resid 113 and name o)   0.0 0.0 3.3

assign (resid 7 and name hn ) (resid 36 and name o) 0.0 0.0 2.3
assign (resid 7 and name n) (resid 36 and name o)   0.0 0.0 3.3

assign (resid 8 and name hn ) (resid 115 and name o) 0.0 0.0 2.3
assign (resid 8 and name n) (resid 115 and name o)   0.0 0.0 3.3

assign (resid 10 and name hn ) (resid 7 and name o) 0.0 0.0 2.3
assign (resid 10 and name n) (resid 7 and name o)   0.0 0.0 3.3

assign (resid 14 and name hn ) (resid 10 and name o) 0.0 0.0 2.3
assign (resid 14 and name n) (resid 10 and name o)   0.0 0.0 3.3

assign (resid 26 and name hn ) (resid 22 and name o) 0.0 0.0 2.3
assign (resid 26 and name n) (resid 22 and name o)   0.0 0.0 3.3

assign (resid 27 and name hn ) (resid 23 and name o) 0.0 0.0 2.3
assign (resid 27 and name n) (resid 23 and name o)   0.0 0.0 3.3

assign (resid 37 and name hn ) (resid 33 and name o) 0.0 0.0 2.3
assign (resid 37 and name n) (resid 33 and name o)   0.0 0.0 3.3

assign (resid 38 and name hn ) (resid 5 and name o) 0.0 0.0 2.3
assign (resid 38 and name n) (resid 5 and name o)   0.0 0.0 3.3

assign (resid 40 and name hn ) (resid 3 and name o) 0.0 0.0 2.3
assign (resid 40 and name n) (resid 3 and name o)   0.0 0.0 3.3

assign (resid 42 and name hn ) (resid 1 and name o) 0.0 0.0 2.3
assign (resid 42 and name n) (resid 1 and name o)   0.0 0.0 3.3

assign (resid 46 and name hn ) (resid 43 and name o) 0.0 0.0 2.3
assign (resid 46 and name n) (resid 43 and name o)   0.0 0.0 3.3

assign (resid 48 and name hn ) (resid 104 and name o) 0.0 0.0 2.3
assign (resid 48 and name n) (resid 104 and name o)   0.0 0.0 3.3

assign (resid 49 and name hn ) (resid 101 and name o) 0.0 0.0 2.3
assign (resid 49 and name n) (resid 101 and name o)   0.0 0.0 3.3

assign (resid 50 and name hn ) (resid 47 and name o) 0.0 0.0 2.3
assign (resid 50 and name n) (resid 47 and name o)   0.0 0.0 3.3

assign (resid 51 and name hn ) (resid 47 and name o) 0.0 0.0 2.3
assign (resid 51 and name n) (resid 47 and name o)   0.0 0.0 3.3

assign (resid 52 and name hn ) (resid 48 and name o) 0.0 0.0 2.3
assign (resid 52 and name n) (resid 48 and name o)   0.0 0.0 3.3

assign (resid 53 and name hn ) (resid 49 and name o) 0.0 0.0 2.3
assign (resid 53 and name n) (resid 49 and name o)   0.0 0.0 3.3 

assign (resid 54 and name hn ) (resid 50 and name o) 0.0 0.0 2.3                
assign (resid 54 and name n) (resid 50 and name o)   0.0 0.0 3.3 


assign (resid 55 and name hn ) (resid 52 and name o) 0.0 0.0 2.3                
assign (resid 55 and name n) (resid 52 and name o)   0.0 0.0 3.3 

assign (resid 57 and name hn ) (resid 52 and name o) 0.0 0.0 2.3                
assign (resid 57 and name n) (resid 52 and name o)   0.0 0.0 3.3 

assign (resid 74 and name hn ) (resid 114 and name o) 0.0 0.0 2.3              
assign (resid 74 and name n) (resid 114 and name o)   0.0 0.0 3.3 

assign (resid 75 and name hn ) (resid 97 and name o) 0.0 0.0 2.3                
assign (resid 75 and name n) (resid 97 and name o)   0.0 0.0 3.3

assign (resid 76 and name hn ) (resid 112 and name o) 0.0 0.0 2.3 
assign (resid 76 and name n) (resid 112 and name o)   0.0 0.0 3.3  

assign (resid 77 and name hn ) (resid 112 and name o) 0.0 0.0 2.3
assign (resid 77 and name n) (resid 112 and name o)   0.0 0.0 3.3 

assign (resid 81 and name hn ) (resid 105 and name o) 0.0 0.0 2.3
assign (resid 81 and name n) (resid 105 and name o)   0.0 0.0 3.3 

assign (resid 92 and name hn ) (resid 89 and name o) 0.0 0.0 2.3
assign (resid 92 and name n) (resid 89 and name o)   0.0 0.0 3.3 

assign (resid 93 and name hn ) (resid 90 and name o) 0.0 0.0 2.3     
assign (resid 93 and name n) (resid 90 and name o)   0.0 0.0 3.3  

assign (resid 94 and name hn ) (resid 90 and name o) 0.0 0.0 2.3 
assign (resid 94 and name n) (resid 90 and name o)   0.0 0.0 3.3  

assign (resid 95 and name hn ) (resid 91 and name o) 0.0 0.0 2.3
assign (resid 95 and name n) (resid 91 and name o)   0.0 0.0 3.3  

assign (resid 96 and name hn ) (resid 92 and name o) 0.0 0.0 2.3
assign (resid 96 and name n) (resid 92 and name o)   0.0 0.0 3.3  

assign (resid 97 and name hn ) (resid 92 and name o) 0.0 0.0 2.3
assign (resid 97 and name n) (resid 92 and name o)   0.0 0.0 3.3  

assign (resid 105 and name hn ) (resid 81 and name o) 0.0 0.0 2.3
assign (resid 105 and name n) (resid 81 and name o)   0.0 0.0 3.3  

assign (resid 107 and name hn ) (resid 79 and name o) 0.0 0.0 2.3
assign (resid 107 and name n) (resid 79 and name o)   0.0 0.0 3.3  

assign (resid 111 and name hn ) (resid 2 and name o) 0.0 0.0 2.3
assign (resid 111 and name n) (resid 2 and name o)   0.0 0.0 3.3  

assign (resid 112 and name hn ) (resid 77 and name o) 0.0 0.0 2.3
assign (resid 112 and name n) (resid 77 and name o)   0.0 0.0 3.3  

assign (resid 113 and name hn ) (resid 4 and name o) 0.0 0.0 2.3
assign (resid 113 and name n) (resid 4 and name o)   0.0 0.0 3.3  

assign (resid 115 and name hn ) (resid 6 and name o) 0.0 0.0 2.3
assign (resid 115 and name n) (resid 6 and name o)   0.0 0.0 3.3  

assign (resid 117 and name hn ) (resid 72 and name o) 0.0 0.0 2.3
assign (resid 117 and name n) (resid 72 and name o)   0.0 0.0 3.3  

assign (resid 120 and name hn ) (resid 117 and name o) 0.0 0.0 2.3
assign (resid 120 and name n) (resid 117 and name o)   0.0 0.0 3.3  

assign (resid 124 and name hn ) (resid 120 and name o) 0.0 0.0 2.3
assign (resid 124 and name n) (resid 120 and name o)   0.0 0.0 3.3  
   
assign (resid 126 and name hn ) (resid 123 and name o) 0.0 0.0 2.3
assign (resid 126 and name n) (resid 123 and name o)   0.0 0.0 3.3 

assign (resid 127 and name hn ) (resid 124 and name o) 0.0 0.0 2.3
assign (resid 127 and name n) (resid 124 and name o)   0.0 0.0 3.3



! Phi-angle restraints deduced from HNHA-experiments

assign (resid 8 and name c ) (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c) 10 -60 20 2

assign (resid 10 and name c ) (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c) 10 -60 20 2

assign (resid 11 and name c ) (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c) 10 -60 20 2

assign (resid 17 and name c ) (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c) 10 -60 20 2

assign (resid 19 and name c ) (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 10 -60 20 2

assign (resid 20 and name c ) (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c) 10 -60 20 2

assign (resid 23 and name c ) (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 10 -60 20 2

assign (resid 25 and name c ) (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c) 10 -60 20 2

assign (resid 26 and name c ) (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c) 10 -60 20 2

assign (resid 32 and name c ) (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c) 10 -60 20 2

assign (resid 34 and name c ) (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c) 10 -60 20 2

assign (resid 42 and name c ) (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c) 10 -60 20 2

assign (resid 43 and name c ) (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c) 10 -60 20 2

assign (resid 46 and name c ) (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c) 10 -60 20 2

assign (resid 49 and name c ) (resid 50 and name n)
       (resid 50 and name ca) (resid 50 and name c) 10 -60 20 2

assign (resid 50 and name c ) (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 10 -60 20 2

assign (resid 51 and name c ) (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c) 10 -60 20 2

assign (resid 52 and name c ) (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c) 10 -60 20 2

assign (resid 53 and name c ) (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c) 10 -60 20 2

assign (resid 83 and name c ) (resid 84 and name n)
       (resid 84 and name ca) (resid 84 and name c) 10 -60 20 2

assign (resid 84 and name c ) (resid 85 and name n)
       (resid 85 and name ca) (resid 85 and name c) 10 -170 20 2

assign (resid 89 and name c ) (resid 90 and name n)
       (resid 90 and name ca) (resid 90 and name c) 10 -60 20 2

assign (resid 90 and name c ) (resid 91 and name n)
       (resid 91 and name ca) (resid 91 and name c) 10 -60 20 2

assign (resid 91 and name c ) (resid 92 and name n)
       (resid 92 and name ca) (resid 92 and name c) 10 -60 20 2

assign (resid 92 and name c ) (resid 93 and name n)
       (resid 93 and name ca) (resid 93 and name c) 10 -60 20 2

assign (resid 121 and name c ) (resid 122 and name n)
       (resid 122 and name ca) (resid 122 and name c) 10 -60 20 2

assign (resid 124 and name c ) (resid 125 and name n)
       (resid 125 and name ca) (resid 125 and name c) 10 -60 20 2

assign (resid 126 and name c ) (resid 127 and name n)
       (resid 127 and name ca) (resid 127 and name c) 10 -60 20 2

assign (resid 31 and name c ) (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c) 10 -90 90 2

assign (resid 1 and name c ) (resid 2 and name n)
       (resid 2 and name ca) (resid 2 and name c) 10 -120 40 2

assign (resid 2 and name c ) (resid 3 and name n)
       (resid 3 and name ca) (resid 3 and name c) 10 -120 40 2

assign (resid 3 and name c ) (resid 4 and name n)
       (resid 4 and name ca) (resid 4 and name c) 10 -120 40 2

assign (resid 4 and name c ) (resid 5 and name n)
       (resid 5 and name ca) (resid 5 and name c) 10 -120 40 2

assign (resid 5 and name c ) (resid 6 and name n)
       (resid 6 and name ca) (resid 6 and name c) 10 -120 40 2

assign (resid 15 and name c ) (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c) 10 -120 40 2

assign (resid 18 and name c ) (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 10 -120 40 2

assign (resid 35 and name c ) (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c) 10 -120 40 2

assign (resid 38 and name c ) (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c) 10 -120 40 2

assign (resid 39 and name c ) (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c) 10 -120 40 2

assign (resid 45 and name c ) (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c) 10 -120 40 2

assign (resid 54 and name c ) (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c) 10 -120 40 2

assign (resid 57 and name c ) (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 10 -120 40 2

assign (resid 73 and name c ) (resid 74 and name n)
       (resid 74 and name ca) (resid 74 and name c) 10 -120 40 2

assign (resid 75 and name c ) (resid 76 and name n)
       (resid 76 and name ca) (resid 76 and name c) 10 -120 40 2

assign (resid 80 and name c ) (resid 81 and name n)
       (resid 81 and name ca) (resid 81 and name c) 10 -120 40 2

assign (resid 94 and name c ) (resid 95 and name n)
       (resid 95 and name ca) (resid 95 and name c) 10 -120 40 2

assign (resid 95 and name c ) (resid 96 and name n)
       (resid 96 and name ca) (resid 96 and name c) 10 -120 40 2

assign (resid 104 and name c ) (resid 105 and name n)
       (resid 105 and name ca) (resid 105 and name c) 10 -120 40 2

assign (resid 106 and name c ) (resid 107 and name n)
       (resid 107 and name ca) (resid 107 and name c) 10 -120 40 2

assign (resid 109 and name c ) (resid 110 and name n)
       (resid 110 and name ca) (resid 110 and name c) 10 -120 40 2

assign (resid 110 and name c ) (resid 111 and name n)
       (resid 111 and name ca) (resid 111 and name c) 10 -120 40 2

assign (resid 111 and name c ) (resid 112 and name n)
       (resid 112 and name ca) (resid 112 and name c) 10 -120 40 2

assign (resid 112 and name c ) (resid 113 and name n)
       (resid 113 and name ca) (resid 113 and name c) 10 -120 40 2

assign (resid 113 and name c ) (resid 114 and name n)
       (resid 114 and name ca) (resid 114 and name c) 10 -120 40 2

assign (resid 114 and name c ) (resid 115 and name n)
       (resid 115 and name ca) (resid 115 and name c) 10 -120 40 2

assign (resid 122 and name c ) (resid 123 and name n)
       (resid 123 and name ca) (resid 123 and name c) 10 -120 40 2



! Dihedral angle restraints to maintain the geometry of the
! cluster vicinity

assign (resid 63 and name N) (resid 63 and name CA)
       (resid 63 and name CB) (resid 63 and name SG) 20 80 30 2

assign (resid 68 and name N) (resid 68 and name CA)
       (resid 68 and name CB) (resid 68 and name SG) 20 85 30 2

assign (resid 71 and name N) (resid 71 and name CA)
       (resid 71 and name CB) (resid 71 and name SG) 20 70 30 2

assign (resid 102 and name N) (resid 102 and name CA)
       (resid 102 and name CB) (resid 102 and name SG) 20 70 30 2



assign (resid 63 and name CA) (resid 63 and name CB)
       (resid 63 and name SG) (resid 1 and name FE1 and segid "FE_S") 20 -60 30 2

assign (resid 68 and name CA) (resid 68 and name CB)
       (resid 68 and name SG) (resid 1 and name FE1 and segid "FE_S") 20 -60 30 2

assign (resid 71 and name CA) (resid 71 and name CB)
       (resid 71 and name SG) (resid 1 and name FE2 and segid "FE_S") 20 -130 30 2

assign (resid 102 and name CA) (resid 102 and name CB)
       (resid 102 and name SG) (resid 1 and name FE2 and segid "FE_S") 20 -120 30 2


assign (resid 63 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE1)
       (resid 1 and segid "FE_S" and name S1) (resid 1 and segid "FE_S" and name FE2) 20 110 30 2

assign (resid 68 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE1)
       (resid 1 and segid "FE_S" and name S1) (resid 1 and segid "FE_S" and name FE2) 20 -120 30 2

assign (resid 71 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE2)
       (resid 1 and segid "FE_S" and name S2) (resid 1 and segid "FE_S" and name FE1) 20 -130 30 2

assign (resid 102 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE2)
       (resid 1 and segid "FE_S" and name S2) (resid 1 and segid "FE_S" and name FE1) 20 120 30 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           H2       PRO   1   3.218   7.803  32.230
    2    H3   PRO   1           H3       PRO   1   4.525   7.077  31.419
    3    HA   PRO   1           HA       PRO   1   3.529   7.587  29.510
    4   1HB   PRO   1          1HB       PRO   1   1.264   6.059  29.417
    5   2HB   PRO   1          2HB       PRO   1   2.895   5.377  29.279
    6   1HG   PRO   1          1HG       PRO   1   1.053   5.447  31.614
    7   2HG   PRO   1          2HG       PRO   1   2.166   4.175  31.093
    8   1HD   PRO   1          1HD       PRO   1   2.674   5.927  33.142
    9   2HD   PRO   1          2HD       PRO   1   3.932   5.103  32.201
   10    H    THR   2           H        THR   2   2.934   9.808  29.846
   11    HA   THR   2           HA       THR   2   0.070  10.240  30.636
   12    HB   THR   2           HB       THR   2   2.538  11.978  30.956
   13    HG1  THR   2           HG1      THR   2   1.927  11.638  33.205
   14   1HG2  THR   2          1HG2      THR   2   0.352  13.191  30.465
   15   2HG2  THR   2          2HG2      THR   2  -0.254  12.525  31.982
   16   3HG2  THR   2          3HG2      THR   2   1.134  13.614  31.988
   17    H    VAL   3           H        VAL   3  -1.163  11.577  29.289
   18    HA   VAL   3           HA       VAL   3   0.182  12.694  26.854
   19    HB   VAL   3           HB       VAL   3  -2.397  11.107  27.086
   20   1HG1  VAL   3          1HG1      VAL   3  -1.860  13.137  25.290
   21   2HG1  VAL   3          2HG1      VAL   3  -1.330  11.701  24.414
   22   3HG1  VAL   3          3HG1      VAL   3  -2.986  11.808  25.011
   23   1HG2  VAL   3          1HG2      VAL   3   0.384  10.437  26.480
   24   2HG2  VAL   3          2HG2      VAL   3  -0.971   9.368  26.841
   25   3HG2  VAL   3          3HG2      VAL   3  -0.719   9.947  25.194
   26    H    GLU   4           H        GLU   4  -0.271  14.866  26.711
   27    HA   GLU   4           HA       GLU   4  -2.339  16.055  28.426
   28   1HB   GLU   4          1HB       GLU   4   0.122  16.784  27.344
   29   2HB   GLU   4          2HB       GLU   4  -1.035  17.772  26.453
   30   1HG   GLU   4          1HG       GLU   4  -1.905  18.733  28.452
   31   2HG   GLU   4          2HG       GLU   4  -1.121  17.521  29.465
   32    H    TYR   5           H        TYR   5  -4.426  16.310  27.753
   33    HA   TYR   5           HA       TYR   5  -5.009  16.232  24.823
   34   1HB   TYR   5          2HB       TYR   5  -7.267  15.661  25.579
   35   2HB   TYR   5          1HB       TYR   5  -6.098  14.642  26.420
   36    HD1  TYR   5           HD1      TYR   5  -8.358  17.556  26.746
   37    HD2  TYR   5           HD2      TYR   5  -5.687  14.884  28.788
   38    HE1  TYR   5           HE1      TYR   5  -9.188  18.393  28.929
   39    HE2  TYR   5           HE2      TYR   5  -6.516  15.720  30.970
   40    HH   TYR   5           HH       TYR   5  -8.842  16.860  31.735
   41    H    LEU   6           H        LEU   6  -5.826  18.038  23.794
   42    HA   LEU   6           HA       LEU   6  -6.643  20.375  25.490
   43   1HB   LEU   6          1HB       LEU   6  -4.336  20.058  23.920
   44   2HB   LEU   6          2HB       LEU   6  -5.405  21.073  22.951
   45    HG   LEU   6           HG       LEU   6  -4.522  21.577  25.809
   46   1HD1  LEU   6          1HD1      LEU   6  -3.108  22.101  23.599
   47   2HD1  LEU   6          2HD1      LEU   6  -4.171  23.508  23.557
   48   3HD1  LEU   6          3HD1      LEU   6  -3.142  23.222  24.961
   49   1HD2  LEU   6          1HD2      LEU   6  -6.458  23.101  24.039
   50   2HD2  LEU   6          2HD2      LEU   6  -6.861  22.241  25.525
   51   3HD2  LEU   6          3HD2      LEU   6  -5.840  23.679  25.587
   52    H    ASN   7           H        ASN   7  -8.704  20.994  24.959
   53    HA   ASN   7           HA       ASN   7 -10.251  19.865  22.858
   54   1HB   ASN   7          1HB       ASN   7 -10.985  21.047  24.980
   55   2HB   ASN   7          2HB       ASN   7 -10.609  22.571  24.176
   56   2HD2  ASN   7          2HD2      ASN   7 -12.852  23.263  24.063
   57   1HD2  ASN   7          1HD2      ASN   7 -13.977  22.495  23.050
   58    H    TYR   8           H        TYR   8  -9.940  20.172  20.692
   59    HA   TYR   8           HA       TYR   8  -8.296  22.156  19.503
   60   1HB   TYR   8          1HB       TYR   8  -8.919  20.129  18.354
   61   2HB   TYR   8          2HB       TYR   8 -10.635  20.505  18.506
   62    HD1  TYR   8           HD1      TYR   8  -7.711  22.622  17.492
   63    HD2  TYR   8           HD2      TYR   8 -11.477  20.895  16.362
   64    HE1  TYR   8           HE1      TYR   8  -7.634  23.861  15.345
   65    HE2  TYR   8           HE2      TYR   8 -11.401  22.135  14.214
   66    HH   TYR   8           HH       TYR   8 -10.160  23.420  12.878
   67    H    GLU   9           H        GLU   9 -11.668  22.240  20.501
   68    HA   GLU   9           HA       GLU   9 -12.486  24.561  19.007
   69   1HB   GLU   9          1HB       GLU   9 -13.764  22.726  20.419
   70   2HB   GLU   9          2HB       GLU   9 -13.524  23.867  21.742
   71   1HG   GLU   9          1HG       GLU   9 -14.437  25.208  19.322
   72   2HG   GLU   9          2HG       GLU   9 -15.567  23.955  19.835
   73    H    THR  10           H        THR  10 -11.009  24.115  22.214
   74    HA   THR  10           HA       THR  10 -11.155  26.828  23.105
   75    HB   THR  10           HB       THR  10  -9.127  24.627  23.634
   76    HG1  THR  10           HG1      THR  10 -11.403  25.385  25.134
   77   1HG2  THR  10          1HG2      THR  10  -8.945  27.272  24.375
   78   2HG2  THR  10          2HG2      THR  10  -9.762  26.551  25.762
   79   3HG2  THR  10          3HG2      THR  10  -8.197  25.928  25.238
   80    H    LEU  11           H        LEU  11  -9.054  25.202  20.825
   81    HA   LEU  11           HA       LEU  11  -6.861  27.059  20.819
   82   1HB   LEU  11          1HB       LEU  11  -6.763  24.813  19.856
   83   2HB   LEU  11          2HB       LEU  11  -8.033  25.223  18.703
   84    HG   LEU  11           HG       LEU  11  -6.618  26.801  17.576
   85   1HD1  LEU  11          1HD1      LEU  11  -4.829  26.414  19.980
   86   2HD1  LEU  11          2HD1      LEU  11  -4.220  27.098  18.473
   87   3HD1  LEU  11          3HD1      LEU  11  -5.509  27.917  19.355
   88   1HD2  LEU  11          1HD2      LEU  11  -5.071  24.297  18.304
   89   2HD2  LEU  11          2HD2      LEU  11  -6.175  24.494  16.943
   90   3HD2  LEU  11          3HD2      LEU  11  -4.647  25.374  16.974
   91    H    ASP  12           H        ASP  12  -9.868  26.876  18.904
   92    HA   ASP  12           HA       ASP  12  -9.255  29.272  17.352
   93   1HB   ASP  12          1HB       ASP  12 -11.551  27.372  17.744
   94   2HB   ASP  12          2HB       ASP  12 -11.829  28.889  16.889
   95    H    ASP  13           H        ASP  13 -11.673  28.515  19.893
   96    HA   ASP  13           HA       ASP  13 -12.775  31.070  20.252
   97   1HB   ASP  13          1HB       ASP  13 -13.306  28.778  21.318
   98   2HB   ASP  13          2HB       ASP  13 -12.070  29.185  22.509
   99    H    GLN  14           H        GLN  14 -10.051  29.685  22.138
  100    HA   GLN  14           HA       GLN  14  -9.366  32.126  23.470
  101   1HB   GLN  14          1HB       GLN  14  -8.745  29.691  23.983
  102   2HB   GLN  14          2HB       GLN  14  -7.508  29.852  22.737
  103   1HG   GLN  14          2HG       GLN  14  -6.155  30.796  24.271
  104   2HG   GLN  14          1HG       GLN  14  -7.282  32.148  24.374
  105   2HE2  GLN  14          2HE2      GLN  14  -5.903  29.594  26.169
  106   1HE2  GLN  14          1HE2      GLN  14  -6.980  29.616  27.480
  107    H    GLY  15           H        GLY  15  -8.788  31.011  20.242
  108   1HA   GLY  15          2HA       GLY  15  -7.654  33.508  19.407
  109   2HA   GLY  15          1HA       GLY  15  -7.683  32.033  18.440
  110    H    TRP  16           H        TRP  16  -6.222  30.405  20.330
  111    HA   TRP  16           HA       TRP  16  -3.568  31.771  20.483
  112   1HB   TRP  16          1HB       TRP  16  -5.108  29.964  22.111
  113   2HB   TRP  16          2HB       TRP  16  -3.579  29.196  21.689
  114    HD1  TRP  16           HD1      TRP  16  -2.106  29.541  23.750
  115    HE1  TRP  16           HE1      TRP  16  -1.350  31.579  25.135
  116    HE3  TRP  16           HE3      TRP  16  -5.016  33.169  21.640
  117    HZ2  TRP  16           HZ2      TRP  16  -1.906  34.379  25.323
  118    HZ3  TRP  16           HZ3      TRP  16  -4.882  35.510  22.441
  119    HH2  TRP  16           HH2      TRP  16  -3.333  36.119  24.278
  120    H    ASP  17           H        ASP  17  -1.800  29.777  20.328
  121    HA   ASP  17           HA       ASP  17  -2.279  28.543  17.636
  122   1HB   ASP  17          1HB       ASP  17   0.247  29.436  19.065
  123   2HB   ASP  17          2HB       ASP  17   0.213  28.682  17.471
  124    H    MET  18           H        MET  18  -1.037  26.439  17.341
  125    HA   MET  18           HA       MET  18  -1.590  24.648  19.586
  126   1HB   MET  18          1HB       MET  18  -1.964  24.167  17.147
  127   2HB   MET  18          2HB       MET  18  -0.213  24.142  16.931
  128   1HG   MET  18          1HG       MET  18   0.007  22.110  17.947
  129   2HG   MET  18          2HG       MET  18  -1.231  22.469  19.150
  130   1HE   MET  18          1HE       MET  18  -2.996  21.650  19.407
  131   2HE   MET  18          2HE       MET  18  -4.248  21.108  18.292
  132   3HE   MET  18          3HE       MET  18  -2.982  19.991  18.796
  133    H    ASP  19           H        ASP  19   1.332  25.941  17.999
  134    HA   ASP  19           HA       ASP  19   2.943  24.748  20.237
  135   1HB   ASP  19          1HB       ASP  19   4.740  24.535  18.508
  136   2HB   ASP  19          2HB       ASP  19   3.302  23.593  18.115
  137    H    ASP  20           H        ASP  20   2.000  27.608  18.619
  138    HA   ASP  20           HA       ASP  20   4.412  29.170  18.974
  139   1HB   ASP  20          1HB       ASP  20   2.028  29.421  17.656
  140   2HB   ASP  20          2HB       ASP  20   1.774  30.513  19.017
  141    H    ASP  21           H        ASP  21   1.290  29.730  20.627
  142    HA   ASP  21           HA       ASP  21   2.653  30.889  22.940
  143   1HB   ASP  21          1HB       ASP  21  -0.038  30.637  21.799
  144   2HB   ASP  21          2HB       ASP  21  -0.022  30.561  23.561
  145    H    ASP  22           H        ASP  22   2.574  27.781  22.128
  146    HA   ASP  22           HA       ASP  22   2.477  25.735  23.320
  147   1HB   ASP  22          1HB       ASP  22   3.373  27.776  25.381
  148   2HB   ASP  22          2HB       ASP  22   3.488  26.032  25.617
  149    H    LEU  23           H        LEU  23  -0.065  26.643  23.021
  150    HA   LEU  23           HA       LEU  23  -1.739  27.400  25.052
  151   1HB   LEU  23          1HB       LEU  23  -1.864  25.834  22.659
  152   2HB   LEU  23          2HB       LEU  23  -2.865  25.047  23.879
  153    HG   LEU  23           HG       LEU  23  -3.045  27.923  22.944
  154   1HD1  LEU  23          1HD1      LEU  23  -4.212  25.593  21.970
  155   2HD1  LEU  23          2HD1      LEU  23  -5.458  26.272  23.016
  156   3HD1  LEU  23          3HD1      LEU  23  -4.799  27.232  21.692
  157   1HD2  LEU  23          1HD2      LEU  23  -4.070  26.535  25.384
  158   2HD2  LEU  23          2HD2      LEU  23  -3.565  28.213  25.177
  159   3HD2  LEU  23          3HD2      LEU  23  -5.141  27.686  24.585
  160    H    PHE  24           H        PHE  24  -0.384  24.106  24.695
  161    HA   PHE  24           HA       PHE  24  -1.680  22.830  26.848
  162   1HB   PHE  24          1HB       PHE  24   0.992  22.607  25.486
  163   2HB   PHE  24          2HB       PHE  24   0.646  21.586  26.882
  164    HD1  PHE  24           HD1      PHE  24  -1.400  20.097  26.845
  165    HD2  PHE  24           HD2      PHE  24   0.036  22.149  23.356
  166    HE1  PHE  24           HE1      PHE  24  -2.719  18.570  25.405
  167    HE2  PHE  24           HE2      PHE  24  -1.284  20.622  21.916
  168    HZ   PHE  24           HZ       PHE  24  -2.661  18.832  22.940
  169    H    GLU  25           H        GLU  25   0.935  25.167  26.854
  170    HA   GLU  25           HA       GLU  25   1.420  24.760  29.763
  171   1HB   GLU  25          1HB       GLU  25   2.735  26.585  27.725
  172   2HB   GLU  25          2HB       GLU  25   3.352  26.198  29.331
  173   1HG   GLU  25          1HG       GLU  25   3.101  23.702  28.426
  174   2HG   GLU  25          2HG       GLU  25   3.277  24.507  26.867
  175    H    LYS  26           H        LYS  26   0.275  27.233  27.471
  176    HA   LYS  26           HA       LYS  26  -0.076  29.293  29.484
  177   1HB   LYS  26          1HB       LYS  26  -0.650  28.812  26.610
  178   2HB   LYS  26          2HB       LYS  26  -1.658  30.022  27.405
  179   1HG   LYS  26          1HG       LYS  26   1.329  30.062  27.776
  180   2HG   LYS  26          2HG       LYS  26   0.606  30.776  26.335
  181   1HD   LYS  26          1HD       LYS  26  -1.005  31.819  28.267
  182   2HD   LYS  26          2HD       LYS  26   0.519  31.699  29.148
  183   1HE   LYS  26          1HE       LYS  26   1.626  33.169  27.683
  184   2HE   LYS  26          2HE       LYS  26   0.464  32.886  26.373
  185   1HZ   LYS  26          1HZ       LYS  26  -0.400  34.006  28.970
  186   2HZ   LYS  26          2HZ       LYS  26   0.222  35.022  27.759
  187   3HZ   LYS  26          3HZ       LYS  26  -1.176  34.103  27.462
  188    H    ALA  27           H        ALA  27  -2.139  26.776  28.100
  189    HA   ALA  27           HA       ALA  27  -4.667  27.693  29.042
  190   1HB   ALA  27          1HB       ALA  27  -4.372  25.881  27.429
  191   2HB   ALA  27          3HB       ALA  27  -3.526  24.909  28.633
  192   3HB   ALA  27          2HB       ALA  27  -5.243  25.259  28.831
  193    H    ALA  28           H        ALA  28  -1.998  26.103  30.689
  194    HA   ALA  28           HA       ALA  28  -3.516  25.338  33.054
  195   1HB   ALA  28          1HB       ALA  28  -0.549  25.826  32.978
  196   2HB   ALA  28          3HB       ALA  28  -1.233  24.508  32.026
  197   3HB   ALA  28          2HB       ALA  28  -1.438  24.531  33.778
  198    H    ASP  29           H        ASP  29  -2.139  28.277  31.883
  199    HA   ASP  29           HA       ASP  29  -1.828  29.507  34.544
  200   1HB   ASP  29          1HB       ASP  29  -1.253  30.105  31.697
  201   2HB   ASP  29          2HB       ASP  29  -1.609  31.509  32.703
  202    H    ALA  30           H        ALA  30  -4.350  29.029  32.267
  203    HA   ALA  30           HA       ALA  30  -5.899  31.357  33.325
  204   1HB   ALA  30          1HB       ALA  30  -7.076  29.785  31.163
  205   2HB   ALA  30          3HB       ALA  30  -5.443  30.326  30.773
  206   3HB   ALA  30          2HB       ALA  30  -6.682  31.504  31.204
  207    H    GLY  31           H        GLY  31  -6.880  28.160  32.111
  208   1HA   GLY  31          2HA       GLY  31  -8.492  27.821  34.610
  209   2HA   GLY  31          1HA       GLY  31  -7.678  26.468  33.825
  210    H    LEU  32           H        LEU  32  -8.336  26.157  31.447
  211    HA   LEU  32           HA       LEU  32 -11.026  27.130  30.731
  212   1HB   LEU  32          2HB       LEU  32  -9.111  25.191  29.388
  213   2HB   LEU  32          1HB       LEU  32 -10.521  25.934  28.634
  214    HG   LEU  32           HG       LEU  32  -8.671  27.851  29.900
  215   1HD1  LEU  32          1HD1      LEU  32  -7.052  26.202  29.012
  216   2HD1  LEU  32          2HD1      LEU  32  -7.832  26.295  27.433
  217   3HD1  LEU  32          3HD1      LEU  32  -7.002  27.706  28.091
  218   1HD2  LEU  32          1HD2      LEU  32 -10.504  27.616  27.613
  219   2HD2  LEU  32          2HD2      LEU  32 -10.081  29.034  28.572
  220   3HD2  LEU  32          3HD2      LEU  32  -9.035  28.521  27.248
  221    H    ASP  33           H        ASP  33 -12.357  25.140  29.614
  222    HA   ASP  33           HA       ASP  33 -13.521  23.610  31.662
  223   1HB   ASP  33          1HB       ASP  33 -13.234  23.210  28.674
  224   2HB   ASP  33          2HB       ASP  33 -14.265  22.180  29.666
  225    H    GLY  34           H        GLY  34 -12.410  22.178  32.963
  226   1HA   GLY  34          2HA       GLY  34 -11.195  20.238  33.521
  227   2HA   GLY  34          1HA       GLY  34  -9.965  20.929  32.463
  228    H    GLU  35           H        GLU  35 -13.178  19.964  31.392
  229    HA   GLU  35           HA       GLU  35 -12.391  17.362  30.375
  230   1HB   GLU  35          1HB       GLU  35 -14.712  18.516  30.998
  231   2HB   GLU  35          2HB       GLU  35 -14.690  18.948  29.289
  232   1HG   GLU  35          1HG       GLU  35 -14.024  16.377  29.025
  233   2HG   GLU  35          2HG       GLU  35 -14.874  16.251  30.565
  234    H    ASP  36           H        ASP  36 -11.798  20.539  29.314
  235    HA   ASP  36           HA       ASP  36 -11.603  19.750  26.443
  236   1HB   ASP  36          1HB       ASP  36 -11.646  22.323  28.020
  237   2HB   ASP  36          2HB       ASP  36 -11.134  22.310  26.333
  238    H    TYR  37           H        TYR  37  -9.640  21.120  29.095
  239    HA   TYR  37           HA       TYR  37  -7.189  20.262  27.590
  240   1HB   TYR  37          1HB       TYR  37  -7.222  22.605  27.377
  241   2HB   TYR  37          2HB       TYR  37  -7.930  22.834  28.974
  242    HD1  TYR  37           HD1      TYR  37  -4.902  21.063  27.618
  243    HD2  TYR  37           HD2      TYR  37  -6.483  23.849  30.480
  244    HE1  TYR  37           HE1      TYR  37  -2.637  21.354  28.587
  245    HE2  TYR  37           HE2      TYR  37  -4.219  24.139  31.449
  246    HH   TYR  37           HH       TYR  37  -1.502  23.453  30.009
  247    H    GLY  38           H        GLY  38  -5.496  19.438  28.921
  248   1HA   GLY  38          2HA       GLY  38  -6.376  18.398  31.519
  249   2HA   GLY  38          1HA       GLY  38  -5.054  19.562  31.613
  250    H    THR  39           H        THR  39  -3.779  17.714  32.458
  251    HA   THR  39           HA       THR  39  -2.373  16.332  30.264
  252    HB   THR  39           HB       THR  39  -1.745  15.856  33.136
  253    HG1  THR  39           HG1      THR  39  -0.958  17.942  33.374
  254   1HG2  THR  39          1HG2      THR  39  -0.417  15.319  30.901
  255   2HG2  THR  39          2HG2      THR  39   0.124  16.986  31.093
  256   3HG2  THR  39          3HG2      THR  39   0.436  15.806  32.366
  257    H    MET  40           H        MET  40  -3.169  14.372  29.585
  258    HA   MET  40           HA       MET  40  -4.911  12.768  31.327
  259   1HB   MET  40          1HB       MET  40  -4.816  13.244  28.675
  260   2HB   MET  40          2HB       MET  40  -3.866  11.760  28.726
  261   1HG   MET  40          1HG       MET  40  -6.478  11.916  30.208
  262   2HG   MET  40          2HG       MET  40  -6.472  11.601  28.473
  263   1HE   MET  40          1HE       MET  40  -6.409   9.946  27.495
  264   2HE   MET  40          2HE       MET  40  -5.235   8.629  27.620
  265   3HE   MET  40          3HE       MET  40  -6.855   8.436  28.286
  266    H    GLU  41           H        GLU  41  -4.369  10.673  32.121
  267    HA   GLU  41           HA       GLU  41  -1.518   9.818  31.793
  268   1HB   GLU  41          1HB       GLU  41  -2.848  10.900  34.101
  269   2HB   GLU  41          2HB       GLU  41  -2.421   9.221  34.428
  270   1HG   GLU  41          1HG       GLU  41  -0.100   9.801  33.485
  271   2HG   GLU  41          2HG       GLU  41  -0.591  11.489  33.623
  272    H    VAL  42           H        VAL  42  -1.707   7.831  30.808
  273    HA   VAL  42           HA       VAL  42  -3.661   5.886  31.980
  274    HB   VAL  42           HB       VAL  42  -4.707   6.694  29.998
  275   1HG1  VAL  42          1HG1      VAL  42  -2.639   7.869  29.172
  276   2HG1  VAL  42          2HG1      VAL  42  -2.067   6.320  28.553
  277   3HG1  VAL  42          3HG1      VAL  42  -3.539   7.042  27.901
  278   1HG2  VAL  42          1HG2      VAL  42  -4.528   4.193  30.181
  279   2HG2  VAL  42          2HG2      VAL  42  -4.694   4.765  28.521
  280   3HG2  VAL  42          3HG2      VAL  42  -3.116   4.263  29.127
  281    H    ALA  43           H        ALA  43  -2.887   3.748  32.054
  282    HA   ALA  43           HA       ALA  43  -0.098   3.260  32.151
  283   1HB   ALA  43          1HB       ALA  43  -2.559   1.904  32.553
  284   2HB   ALA  43          3HB       ALA  43  -0.951   1.367  33.041
  285   3HB   ALA  43          2HB       ALA  43  -1.601   0.893  31.472
  286    H    GLU  44           H        GLU  44   1.340   2.308  30.638
  287    HA   GLU  44           HA       GLU  44   0.938   2.919  27.862
  288   1HB   GLU  44          1HB       GLU  44   3.026   2.345  29.521
  289   2HB   GLU  44          2HB       GLU  44   2.895   0.829  28.630
  290   1HG   GLU  44          1HG       GLU  44   2.751   3.352  27.048
  291   2HG   GLU  44          2HG       GLU  44   4.326   2.902  27.702
  292    H    GLY  45           H        GLY  45  -0.282   1.781  26.416
  293   1HA   GLY  45          2HA       GLY  45  -0.565  -1.167  26.831
  294   2HA   GLY  45          1HA       GLY  45  -0.641  -0.378  25.255
  295    H    GLU  46           H        GLU  46  -2.182   1.322  27.802
  296    HA   GLU  46           HA       GLU  46  -4.819   0.053  27.420
  297   1HB   GLU  46          1HB       GLU  46  -3.452   1.571  29.381
  298   2HB   GLU  46          2HB       GLU  46  -4.813   2.562  28.855
  299   1HG   GLU  46          1HG       GLU  46  -6.320   0.598  29.202
  300   2HG   GLU  46          2HG       GLU  46  -4.945  -0.303  29.841
  301    H    TYR  47           H        TYR  47  -6.294   0.774  25.928
  302    HA   TYR  47           HA       TYR  47  -5.776   2.624  23.892
  303   1HB   TYR  47          1HB       TYR  47  -8.465   2.040  25.170
  304   2HB   TYR  47          2HB       TYR  47  -8.166   2.490  23.491
  305    HD1  TYR  47           HD1      TYR  47  -5.715   0.843  22.956
  306    HD2  TYR  47           HD2      TYR  47  -9.391  -0.138  24.950
  307    HE1  TYR  47           HE1      TYR  47  -5.393  -1.547  22.375
  308    HE2  TYR  47           HE2      TYR  47  -9.070  -2.527  24.369
  309    HH   TYR  47           HH       TYR  47  -6.979  -3.589  22.054
  310    H    ILE  48           H        ILE  48  -5.319   4.779  24.099
  311    HA   ILE  48           HA       ILE  48  -5.621   6.415  26.346
  312    HB   ILE  48           HB       ILE  48  -5.716   7.005  23.376
  313   1HG1  ILE  48          1HG1      ILE  48  -3.510   7.262  25.443
  314   2HG1  ILE  48          2HG1      ILE  48  -3.649   5.956  24.265
  315   1HG2  ILE  48          1HG2      ILE  48  -5.402   8.907  25.719
  316   2HG2  ILE  48          2HG2      ILE  48  -5.110   9.338  24.033
  317   3HG2  ILE  48          3HG2      ILE  48  -6.731   8.885  24.560
  318   1HD1  ILE  48          1HD1      ILE  48  -3.716   8.773  23.261
  319   2HD1  ILE  48          2HD1      ILE  48  -2.162   8.108  23.762
  320   3HD1  ILE  48          3HD1      ILE  48  -3.086   7.322  22.482
  321    H    LEU  49           H        LEU  49  -7.791   6.576  23.496
  322    HA   LEU  49           HA       LEU  49  -9.806   8.204  24.418
  323   1HB   LEU  49          1HB       LEU  49  -9.809   7.213  22.213
  324   2HB   LEU  49          2HB       LEU  49  -9.958   5.591  22.888
  325    HG   LEU  49           HG       LEU  49 -12.094   7.106  23.968
  326   1HD1  LEU  49          1HD1      LEU  49 -11.568   8.662  22.021
  327   2HD1  LEU  49          2HD1      LEU  49 -12.015   7.334  20.950
  328   3HD1  LEU  49          3HD1      LEU  49 -13.210   8.020  22.051
  329   1HD2  LEU  49          1HD2      LEU  49 -11.693   4.617  22.966
  330   2HD2  LEU  49          2HD2      LEU  49 -13.296   5.292  23.261
  331   3HD2  LEU  49          3HD2      LEU  49 -12.604   5.339  21.639
  332    H    GLU  50           H        GLU  50  -9.334   4.785  25.287
  333    HA   GLU  50           HA       GLU  50 -11.766   4.590  26.868
  334   1HB   GLU  50          1HB       GLU  50 -10.331   2.771  25.717
  335   2HB   GLU  50          2HB       GLU  50  -9.266   2.910  27.116
  336   1HG   GLU  50          1HG       GLU  50 -10.711   1.227  27.826
  337   2HG   GLU  50          2HG       GLU  50 -11.518   2.657  28.470
  338    H    ALA  51           H        ALA  51  -8.293   4.758  27.763
  339    HA   ALA  51           HA       ALA  51  -8.575   4.921  30.551
  340   1HB   ALA  51          1HB       ALA  51  -6.565   6.676  29.248
  341   2HB   ALA  51          3HB       ALA  51  -6.552   4.984  28.750
  342   3HB   ALA  51          2HB       ALA  51  -6.331   5.405  30.448
  343    H    ALA  52           H        ALA  52  -8.762   7.520  28.145
  344    HA   ALA  52           HA       ALA  52  -9.188   9.598  30.161
  345   1HB   ALA  52          1HB       ALA  52  -8.507   9.371  27.416
  346   2HB   ALA  52          3HB       ALA  52  -9.998  10.311  27.488
  347   3HB   ALA  52          2HB       ALA  52  -8.575  10.846  28.382
  348    H    GLU  53           H        GLU  53 -11.185   7.591  28.063
  349    HA   GLU  53           HA       GLU  53 -13.653   8.992  28.248
  350   1HB   GLU  53          1HB       GLU  53 -13.385   7.190  26.701
  351   2HB   GLU  53          2HB       GLU  53 -12.866   6.082  27.971
  352   1HG   GLU  53          1HG       GLU  53 -15.033   5.815  28.804
  353   2HG   GLU  53          2HG       GLU  53 -15.586   7.349  28.133
  354    H    ALA  54           H        ALA  54 -11.965   6.955  30.550
  355    HA   ALA  54           HA       ALA  54 -14.233   6.488  32.308
  356   1HB   ALA  54          1HB       ALA  54 -11.417   6.478  33.292
  357   2HB   ALA  54          3HB       ALA  54 -11.800   5.388  31.959
  358   3HB   ALA  54          2HB       ALA  54 -12.675   5.258  33.485
  359    H    GLN  55           H        GLN  55 -11.846   9.037  31.934
  360    HA   GLN  55           HA       GLN  55 -12.406  10.254  34.551
  361   1HB   GLN  55          2HB       GLN  55 -10.895  11.206  32.094
  362   2HB   GLN  55          1HB       GLN  55 -10.819  11.950  33.691
  363   1HG   GLN  55          1HG       GLN  55 -10.322   9.062  33.760
  364   2HG   GLN  55          2HG       GLN  55  -9.148   9.934  32.774
  365   2HE2  GLN  55          2HE2      GLN  55  -7.438  10.831  33.935
  366   1HE2  GLN  55          1HE2      GLN  55  -7.473  11.206  35.590
  367    H    GLY  56           H        GLY  56 -13.850  10.296  31.441
  368   1HA   GLY  56          2HA       GLY  56 -15.333  12.792  32.166
  369   2HA   GLY  56          1HA       GLY  56 -16.083  11.426  31.341
  370    H    TYR  57           H        TYR  57 -12.950  11.813  30.209
  371    HA   TYR  57           HA       TYR  57 -13.196  13.985  28.360
  372   1HB   TYR  57          1HB       TYR  57 -11.564  11.428  28.376
  373   2HB   TYR  57          2HB       TYR  57 -11.274  12.769  27.268
  374    HD1  TYR  57           HD1      TYR  57 -11.737  15.124  28.946
  375    HD2  TYR  57           HD2      TYR  57  -9.771  11.425  29.895
  376    HE1  TYR  57           HE1      TYR  57 -10.412  16.278  30.695
  377    HE2  TYR  57           HE2      TYR  57  -8.445  12.578  31.643
  378    HH   TYR  57           HH       TYR  57  -8.347  14.492  32.911
  379    H    ASP  58           H        ASP  58 -14.510  14.101  26.587
  380    HA   ASP  58           HA       ASP  58 -15.648  11.576  25.474
  381   1HB   ASP  58          1HB       ASP  58 -16.959  13.668  26.325
  382   2HB   ASP  58          2HB       ASP  58 -16.466  14.398  24.796
  383    H    TRP  59           H        TRP  59 -15.536  11.186  23.194
  384    HA   TRP  59           HA       TRP  59 -13.695  12.962  21.637
  385   1HB   TRP  59          1HB       TRP  59 -13.641   9.930  21.787
  386   2HB   TRP  59          2HB       TRP  59 -12.534  10.942  20.861
  387    HD1  TRP  59           HD1      TRP  59 -13.548  10.217  24.505
  388    HE1  TRP  59           HE1      TRP  59 -11.550  10.787  26.031
  389    HE3  TRP  59           HE3      TRP  59 -10.338  12.194  21.059
  390    HZ2  TRP  59           HZ2      TRP  59  -8.937  11.929  25.819
  391    HZ3  TRP  59           HZ3      TRP  59  -8.103  13.013  21.748
  392    HH2  TRP  59           HH2      TRP  59  -7.399  12.884  24.122
  393    HA   PRO  60           HA       PRO  60 -16.872  12.502  18.614
  394   1HB   PRO  60          1HB       PRO  60 -15.456  13.312  16.415
  395   2HB   PRO  60          2HB       PRO  60 -16.047  14.436  17.653
  396   1HG   PRO  60          2HG       PRO  60 -13.319  13.301  17.261
  397   2HG   PRO  60          1HG       PRO  60 -13.801  14.931  17.751
  398   1HD   PRO  60          1HD       PRO  60 -12.910  13.020  19.493
  399   2HD   PRO  60          2HD       PRO  60 -14.006  14.339  19.955
  400    H    PHE  61           H        PHE  61 -16.657  10.070  18.949
  401    HA   PHE  61           HA       PHE  61 -14.928   8.322  17.637
  402   1HB   PHE  61          1HB       PHE  61 -17.670   8.339  18.686
  403   2HB   PHE  61          2HB       PHE  61 -17.424   7.135  17.421
  404    HD1  PHE  61           HD1      PHE  61 -14.963   5.946  17.645
  405    HD2  PHE  61           HD2      PHE  61 -17.292   7.594  20.857
  406    HE1  PHE  61           HE1      PHE  61 -13.767   4.492  19.259
  407    HE2  PHE  61           HE2      PHE  61 -16.094   6.140  22.470
  408    HZ   PHE  61           HZ       PHE  61 -14.332   4.589  21.671
  409    H    SER  62           H        SER  62 -14.325   9.141  15.545
  410    HA   SER  62           HA       SER  62 -16.393   9.614  13.503
  411   1HB   SER  62          1HB       SER  62 -14.224  10.891  13.790
  412   2HB   SER  62          2HB       SER  62 -13.375   9.440  13.257
  413    HG   SER  62           HG       SER  62 -15.089   9.665  11.445
  414    H    CYS  63           H        CYS  63 -16.511   6.955  14.515
  415    HA   CYS  63           HA       CYS  63 -15.066   5.170  12.681
  416   1HB   CYS  63          1HB       CYS  63 -16.581   5.070  15.149
  417   2HB   CYS  63          2HB       CYS  63 -17.151   3.827  14.036
  418    H    ARG  64           H        ARG  64 -15.806   4.830  10.620
  419    HA   ARG  64           HA       ARG  64 -18.603   5.499   9.922
  420   1HB   ARG  64          1HB       ARG  64 -16.014   5.428   8.677
  421   2HB   ARG  64          2HB       ARG  64 -17.117   4.413   7.747
  422   1HG   ARG  64          1HG       ARG  64 -18.443   6.183   7.135
  423   2HG   ARG  64          2HG       ARG  64 -18.187   7.034   8.658
  424   1HD   ARG  64          1HD       ARG  64 -15.667   7.135   7.627
  425   2HD   ARG  64          2HD       ARG  64 -16.629   7.176   6.137
  426    HE   ARG  64           HE       ARG  64 -17.822   8.916   8.078
  427   1HH1  ARG  64          1HH1      ARG  64 -17.286   9.677   5.230
  428   2HH1  ARG  64          2HH1      ARG  64 -16.076  10.904   5.405
  429   1HH2  ARG  64          1HH2      ARG  64 -15.291  10.039   8.670
  430   2HH2  ARG  64          2HH2      ARG  64 -14.945  11.108   7.351
  431    H    ALA  65           H        ALA  65 -19.683   3.853   8.356
  432    HA   ALA  65           HA       ALA  65 -19.911   1.292   9.726
  433   1HB   ALA  65          1HB       ALA  65 -21.823   2.426   8.720
  434   2HB   ALA  65          3HB       ALA  65 -21.037   2.418   7.141
  435   3HB   ALA  65          2HB       ALA  65 -21.562   0.902   7.872
  436    H    GLY  66           H        GLY  66 -18.442  -0.333   9.397
  437   1HA   GLY  66          2HA       GLY  66 -17.525  -0.851   6.614
  438   2HA   GLY  66          1HA       GLY  66 -17.487  -2.021   7.934
  439    H    ALA  67           H        ALA  67 -15.739  -1.957   9.409
  440    HA   ALA  67           HA       ALA  67 -13.550  -1.447  10.149
  441   1HB   ALA  67          1HB       ALA  67 -12.907  -0.479   7.404
  442   2HB   ALA  67          2HB       ALA  67 -13.560  -2.112   7.535
  443   3HB   ALA  67          3HB       ALA  67 -12.078  -1.684   8.389
  444    H    CYS  68           H        CYS  68 -11.789   0.452   9.899
  445    HA   CYS  68           HA       CYS  68 -12.740   3.098   9.237
  446   1HB   CYS  68          1HB       CYS  68 -14.212   2.787  11.107
  447   2HB   CYS  68          2HB       CYS  68 -12.918   2.105  12.093
  448    H    ALA  69           H        ALA  69 -11.130   4.743   9.800
  449    HA   ALA  69           HA       ALA  69  -8.691   4.072  11.223
  450   1HB   ALA  69          1HB       ALA  69  -7.242   3.762   9.339
  451   2HB   ALA  69          2HB       ALA  69  -8.643   2.734   9.037
  452   3HB   ALA  69          3HB       ALA  69  -8.492   4.284   8.209
  453    H    ASN  70           H        ASN  70 -10.672   6.256  11.020
  454    HA   ASN  70           HA       ASN  70  -8.760   8.496  10.644
  455   1HB   ASN  70          1HB       ASN  70 -10.871   7.706   8.809
  456   2HB   ASN  70          2HB       ASN  70 -11.147   9.339   9.415
  457   2HD2  ASN  70          2HD2      ASN  70 -10.143   8.365   6.687
  458   1HD2  ASN  70          1HD2      ASN  70  -8.687   9.205   6.449
  459    H    CYS  71           H        CYS  71  -9.273   8.130  13.098
  460    HA   CYS  71           HA       CYS  71 -11.824   8.746  14.211
  461   1HB   CYS  71          1HB       CYS  71  -9.069   9.329  15.342
  462   2HB   CYS  71          2HB       CYS  71 -10.543   9.014  16.258
  463    H    ALA  72           H        ALA  72  -9.981  11.032  15.725
  464    HA   ALA  72           HA       ALA  72 -10.148  13.266  13.898
  465   1HB   ALA  72          1HB       ALA  72 -12.486  12.444  15.513
  466   2HB   ALA  72          3HB       ALA  72 -12.099  14.162  15.596
  467   3HB   ALA  72          2HB       ALA  72 -12.426  13.407  14.036
  468    H    SER  73           H        SER  73  -7.980  13.233  15.042
  469    HA   SER  73           HA       SER  73  -8.115  14.958  17.466
  470   1HB   SER  73          2HB       SER  73  -6.514  12.389  17.210
  471   2HB   SER  73          1HB       SER  73  -6.513  13.466  18.606
  472    HG   SER  73           HG       SER  73  -8.539  12.892  19.086
  473    H    ILE  74           H        ILE  74  -5.682  15.613  17.990
  474    HA   ILE  74           HA       ILE  74  -4.046  15.794  15.505
  475    HB   ILE  74           HB       ILE  74  -4.886  18.168  17.199
  476   1HG1  ILE  74          1HG1      ILE  74  -6.783  17.177  15.909
  477   2HG1  ILE  74          2HG1      ILE  74  -6.344  18.786  15.340
  478   1HG2  ILE  74          1HG2      ILE  74  -3.003  17.728  14.961
  479   2HG2  ILE  74          2HG2      ILE  74  -4.053  19.134  14.791
  480   3HG2  ILE  74          3HG2      ILE  74  -3.004  18.982  16.201
  481   1HD1  ILE  74          1HD1      ILE  74  -5.075  16.367  14.080
  482   2HD1  ILE  74          2HD1      ILE  74  -6.697  16.858  13.593
  483   3HD1  ILE  74          3HD1      ILE  74  -5.342  17.969  13.392
  484    H    VAL  75           H        VAL  75  -2.533  14.422  16.674
  485    HA   VAL  75           HA       VAL  75  -1.536  14.810  19.279
  486    HB   VAL  75           HB       VAL  75  -1.049  12.879  17.849
  487   1HG1  VAL  75          1HG1      VAL  75  -0.448  14.905  15.950
  488   2HG1  VAL  75          2HG1      VAL  75   1.039  13.995  16.213
  489   3HG1  VAL  75          3HG1      VAL  75  -0.428  13.159  15.703
  490   1HG2  VAL  75          1HG2      VAL  75   0.594  13.670  19.652
  491   2HG2  VAL  75          2HG2      VAL  75   1.249  12.588  18.423
  492   3HG2  VAL  75          3HG2      VAL  75   1.566  14.320  18.332
  493    H    LYS  76           H        LYS  76  -0.621  16.646  20.124
  494    HA   LYS  76           HA       LYS  76   0.535  18.700  18.364
  495   1HB   LYS  76          1HB       LYS  76  -0.875  18.789  20.631
  496   2HB   LYS  76          2HB       LYS  76   0.735  18.736  21.349
  497   1HG   LYS  76          1HG       LYS  76   0.760  20.588  19.154
  498   2HG   LYS  76          2HG       LYS  76  -0.591  20.983  20.216
  499   1HD   LYS  76          1HD       LYS  76   0.939  22.032  21.515
  500   2HD   LYS  76          2HD       LYS  76   1.462  20.417  21.994
  501   1HE   LYS  76          1HE       LYS  76   3.272  20.421  20.485
  502   2HE   LYS  76          2HE       LYS  76   2.546  21.687  19.476
  503   1HZ   LYS  76          1HZ       LYS  76   2.664  23.118  21.551
  504   2HZ   LYS  76          2HZ       LYS  76   3.708  21.943  22.193
  505   3HZ   LYS  76          3HZ       LYS  76   4.144  22.787  20.786
  506    H    GLU  77           H        GLU  77   1.682  15.946  20.063
  507    HA   GLU  77           HA       GLU  77   4.356  16.141  19.149
  508   1HB   GLU  77          1HB       GLU  77   3.669  17.925  21.284
  509   2HB   GLU  77          2HB       GLU  77   4.806  16.730  21.907
  510   1HG   GLU  77          1HG       GLU  77   5.255  18.204  19.303
  511   2HG   GLU  77          2HG       GLU  77   5.854  18.804  20.850
  512    H    GLY  78           H        GLY  78   4.999  14.032  19.285
  513   1HA   GLY  78          2HA       GLY  78   3.989  12.409  21.586
  514   2HA   GLY  78          1HA       GLY  78   5.652  12.266  21.016
  515    H    GLU  79           H        GLU  79   4.402   9.936  20.962
  516    HA   GLU  79           HA       GLU  79   3.336   9.589  18.180
  517   1HB   GLU  79          1HB       GLU  79   5.703   9.000  18.257
  518   2HB   GLU  79          2HB       GLU  79   5.436   7.988  19.677
  519   1HG   GLU  79          1HG       GLU  79   4.413   6.310  18.459
  520   2HG   GLU  79          2HG       GLU  79   3.811   7.424  17.232
  521    H    ILE  80           H        ILE  80   1.762   7.932  17.972
  522    HA   ILE  80           HA       ILE  80   0.828   6.709  20.551
  523    HB   ILE  80           HB       ILE  80  -0.696   7.714  18.125
  524   1HG1  ILE  80          1HG1      ILE  80  -0.491   8.691  20.990
  525   2HG1  ILE  80          2HG1      ILE  80   0.102   9.521  19.552
  526   1HG2  ILE  80          1HG2      ILE  80  -1.524   5.611  19.508
  527   2HG2  ILE  80          2HG2      ILE  80  -1.994   6.839  20.683
  528   3HG2  ILE  80          3HG2      ILE  80  -2.660   6.880  19.050
  529   1HD1  ILE  80          1HD1      ILE  80  -2.803   8.853  20.125
  530   2HD1  ILE  80          2HD1      ILE  80  -2.070  10.449  20.285
  531   3HD1  ILE  80          3HD1      ILE  80  -2.205   9.696  18.696
  532    H    ASP  81           H        ASP  81   0.161   4.515  20.441
  533    HA   ASP  81           HA       ASP  81   1.087   3.042  18.018
  534   1HB   ASP  81          1HB       ASP  81   1.358   2.733  20.801
  535   2HB   ASP  81          2HB       ASP  81   0.254   1.451  20.303
  536    H    MET  82           H        MET  82  -0.303   1.281  17.197
  537    HA   MET  82           HA       MET  82  -3.084   1.069  18.066
  538   1HB   MET  82          1HB       MET  82  -3.964   2.046  15.915
  539   2HB   MET  82          2HB       MET  82  -3.160   3.229  16.948
  540   1HG   MET  82          1HG       MET  82  -1.153   3.135  15.623
  541   2HG   MET  82          2HG       MET  82  -1.751   1.746  14.714
  542   1HE   MET  82          1HE       MET  82  -2.677   1.730  12.784
  543   2HE   MET  82          2HE       MET  82  -4.334   2.086  13.265
  544   3HE   MET  82          3HE       MET  82  -3.596   2.953  11.911
  545    H    ASP  83           H        ASP  83  -4.335  -0.222  16.238
  546    HA   ASP  83           HA       ASP  83  -3.033  -2.699  15.779
  547   1HB   ASP  83          1HB       ASP  83  -5.547  -1.480  15.391
  548   2HB   ASP  83          2HB       ASP  83  -5.069  -2.085  13.805
  549    H    MET  84           H        MET  84  -3.190  -3.438  13.183
  550    HA   MET  84           HA       MET  84  -0.842  -2.578  11.935
  551   1HB   MET  84          1HB       MET  84  -1.852  -3.579   9.914
  552   2HB   MET  84          2HB       MET  84  -2.213  -4.554  11.339
  553   1HG   MET  84          1HG       MET  84  -4.294  -2.712  11.272
  554   2HG   MET  84          2HG       MET  84  -4.035  -3.099   9.571
  555   1HE   MET  84          1HE       MET  84  -6.406  -3.960   9.491
  556   2HE   MET  84          2HE       MET  84  -7.068  -5.306  10.428
  557   3HE   MET  84          3HE       MET  84  -6.721  -3.768  11.214
  558    H    GLN  85           H        GLN  85  -1.006  -1.477   9.568
  559    HA   GLN  85           HA       GLN  85  -2.886   0.794   9.478
  560   1HB   GLN  85          1HB       GLN  85  -0.986   1.335  11.088
  561   2HB   GLN  85          2HB       GLN  85   0.098   1.268   9.699
  562   1HG   GLN  85          1HG       GLN  85  -2.167   2.883   9.006
  563   2HG   GLN  85          2HG       GLN  85  -1.528   3.450  10.549
  564   2HE2  GLN  85          2HE2      GLN  85   1.148   3.286  10.411
  565   1HE2  GLN  85          1HE2      GLN  85   1.780   4.080   9.050
  566    H    GLN  86           H        GLN  86  -2.701   1.971   7.427
  567    HA   GLN  86           HA       GLN  86  -0.781   1.325   5.389
  568   1HB   GLN  86          1HB       GLN  86  -2.400  -0.776   5.914
  569   2HB   GLN  86          2HB       GLN  86  -3.394   0.063   4.723
  570   1HG   GLN  86          1HG       GLN  86  -1.381   0.148   3.213
  571   2HG   GLN  86          2HG       GLN  86  -0.530  -0.868   4.376
  572   2HE2  GLN  86          2HE2      GLN  86  -0.572  -2.277   2.222
  573   1HE2  GLN  86          1HE2      GLN  86  -1.880  -3.350   2.082
  574    H    ILE  87           H        ILE  87  -4.309   1.898   5.700
  575    HA   ILE  87           HA       ILE  87  -4.574   3.571   3.404
  576    HB   ILE  87           HB       ILE  87  -6.081   3.357   6.027
  577   1HG1  ILE  87          1HG1      ILE  87  -6.121   1.311   4.727
  578   2HG1  ILE  87          2HG1      ILE  87  -7.690   2.100   4.558
  579   1HG2  ILE  87          1HG2      ILE  87  -6.378   5.217   3.779
  580   2HG2  ILE  87          2HG2      ILE  87  -7.847   4.300   4.114
  581   3HG2  ILE  87          3HG2      ILE  87  -7.106   5.272   5.384
  582   1HD1  ILE  87          1HD1      ILE  87  -6.574   3.231   2.461
  583   2HD1  ILE  87          2HD1      ILE  87  -5.461   1.866   2.556
  584   3HD1  ILE  87          3HD1      ILE  87  -7.188   1.583   2.337
  585    H    LEU  88           H        LEU  88  -4.176   4.461   6.858
  586    HA   LEU  88           HA       LEU  88  -4.155   7.258   6.616
  587   1HB   LEU  88          1HB       LEU  88  -3.997   5.662   8.654
  588   2HB   LEU  88          2HB       LEU  88  -2.256   5.706   8.381
  589    HG   LEU  88           HG       LEU  88  -3.362   8.382   8.281
  590   1HD1  LEU  88          1HD1      LEU  88  -4.990   7.086   9.862
  591   2HD1  LEU  88          2HD1      LEU  88  -3.633   7.093  10.988
  592   3HD1  LEU  88          3HD1      LEU  88  -4.311   8.617  10.416
  593   1HD2  LEU  88          1HD2      LEU  88  -1.122   6.886   9.400
  594   2HD2  LEU  88          2HD2      LEU  88  -1.198   8.576   8.900
  595   3HD2  LEU  88          3HD2      LEU  88  -1.716   8.111  10.520
  596    H    SER  89           H        SER  89  -2.146   8.689   6.780
  597    HA   SER  89           HA       SER  89   0.181   7.605   5.249
  598   1HB   SER  89          1HB       SER  89  -0.571   8.736   3.440
  599   2HB   SER  89          2HB       SER  89  -1.879   9.454   4.379
  600    HG   SER  89           HG       SER  89  -0.749  11.202   4.026
  601    H    ASP  90           H        ASP  90   2.138   8.441   5.978
  602    HA   ASP  90           HA       ASP  90   2.419   9.650   8.491
  603   1HB   ASP  90          2HB       ASP  90   4.712   9.975   7.810
  604   2HB   ASP  90          1HB       ASP  90   4.138   8.512   7.010
  605    H    GLU  91           H        GLU  91   2.183  11.206   5.305
  606    HA   GLU  91           HA       GLU  91   2.741  13.880   6.036
  607   1HB   GLU  91          1HB       GLU  91   2.180  12.641   3.764
  608   2HB   GLU  91          2HB       GLU  91   0.538  13.181   4.115
  609   1HG   GLU  91          1HG       GLU  91   1.265  15.052   2.991
  610   2HG   GLU  91          2HG       GLU  91   1.850  15.482   4.598
  611    H    GLU  92           H        GLU  92  -0.110  11.909   6.590
  612    HA   GLU  92           HA       GLU  92  -1.900  14.089   7.282
  613   1HB   GLU  92          1HB       GLU  92  -1.976  11.306   6.850
  614   2HB   GLU  92          2HB       GLU  92  -2.479  11.528   8.526
  615   1HG   GLU  92          1HG       GLU  92  -4.445  11.661   7.098
  616   2HG   GLU  92          2HG       GLU  92  -4.110  13.266   7.748
  617    H    VAL  93           H        VAL  93   0.261  11.933   9.102
  618    HA   VAL  93           HA       VAL  93  -0.557  12.950  11.714
  619    HB   VAL  93           HB       VAL  93   1.938  11.432  10.894
  620   1HG1  VAL  93          1HG1      VAL  93   0.604  12.136  13.436
  621   2HG1  VAL  93          2HG1      VAL  93   1.089  10.446  13.298
  622   3HG1  VAL  93          3HG1      VAL  93   2.290  11.724  13.126
  623   1HG2  VAL  93          1HG2      VAL  93  -0.901  10.658  10.877
  624   2HG2  VAL  93          2HG2      VAL  93   0.482   9.876  10.111
  625   3HG2  VAL  93          3HG2      VAL  93   0.125   9.570  11.811
  626    H    GLU  94           H        GLU  94   1.662  13.947   9.245
  627    HA   GLU  94           HA       GLU  94   3.253  15.611  11.126
  628   1HB   GLU  94          1HB       GLU  94   4.471  14.356   9.469
  629   2HB   GLU  94          2HB       GLU  94   3.414  14.927   8.178
  630   1HG   GLU  94          1HG       GLU  94   5.425  16.233   8.044
  631   2HG   GLU  94          2HG       GLU  94   4.190  17.282   8.741
  632    H    GLU  95           H        GLU  95   1.070  15.956   8.320
  633    HA   GLU  95           HA       GLU  95   1.140  18.908   8.567
  634   1HB   GLU  95          1HB       GLU  95   1.191  17.550   6.400
  635   2HB   GLU  95          2HB       GLU  95  -0.501  17.164   6.713
  636   1HG   GLU  95          1HG       GLU  95  -0.615  19.829   7.055
  637   2HG   GLU  95          2HG       GLU  95   0.741  19.757   5.929
  638    H    LYS  96           H        LYS  96  -0.897  16.202   9.449
  639    HA   LYS  96           HA       LYS  96  -3.024  18.131  10.328
  640   1HB   LYS  96          1HB       LYS  96  -3.063  15.814   8.672
  641   2HB   LYS  96          2HB       LYS  96  -3.922  15.407  10.158
  642   1HG   LYS  96          1HG       LYS  96  -5.696  16.459   9.216
  643   2HG   LYS  96          2HG       LYS  96  -4.845  17.954   9.606
  644   1HD   LYS  96          1HD       LYS  96  -4.296  18.348   7.433
  645   2HD   LYS  96          2HD       LYS  96  -3.936  16.650   7.119
  646   1HE   LYS  96          1HE       LYS  96  -6.797  17.524   7.512
  647   2HE   LYS  96          2HE       LYS  96  -6.014  17.711   5.931
  648   1HZ   LYS  96          1HZ       LYS  96  -5.208  15.311   6.388
  649   2HZ   LYS  96          2HZ       LYS  96  -6.503  15.249   7.486
  650   3HZ   LYS  96          3HZ       LYS  96  -6.798  15.547   5.840
  651    H    ASP  97           H        ASP  97  -0.740  15.738  11.314
  652    HA   ASP  97           HA       ASP  97  -0.264  14.812  13.436
  653   1HB   ASP  97          1HB       ASP  97  -1.489  17.469  13.767
  654   2HB   ASP  97          2HB       ASP  97  -1.602  16.452  15.204
  655    H    VAL  98           H        VAL  98  -2.937  14.205  11.955
  656    HA   VAL  98           HA       VAL  98  -4.786  13.561  14.142
  657    HB   VAL  98           HB       VAL  98  -5.373  14.271  11.775
  658   1HG1  VAL  98          1HG1      VAL  98  -4.422  11.448  11.205
  659   2HG1  VAL  98          2HG1      VAL  98  -5.335  12.445  10.072
  660   3HG1  VAL  98          3HG1      VAL  98  -3.719  12.938  10.577
  661   1HG2  VAL  98          1HG2      VAL  98  -6.737  12.704  13.504
  662   2HG2  VAL  98          2HG2      VAL  98  -7.379  13.173  11.929
  663   3HG2  VAL  98          3HG2      VAL  98  -6.617  11.596  12.137
  664    H    ARG  99           H        ARG  99  -5.575  11.199  14.319
  665    HA   ARG  99           HA       ARG  99  -3.898   9.027  13.427
  666   1HB   ARG  99          1HB       ARG  99  -3.051  10.622  15.706
  667   2HB   ARG  99          2HB       ARG  99  -3.276   8.933  16.162
  668   1HG   ARG  99          1HG       ARG  99  -1.902   9.323  13.580
  669   2HG   ARG  99          2HG       ARG  99  -1.010   9.924  14.979
  670   1HD   ARG  99          1HD       ARG  99  -1.189   7.741  16.078
  671   2HD   ARG  99          2HD       ARG  99  -2.185   7.128  14.743
  672    HE   ARG  99           HE       ARG  99   0.417   8.273  13.954
  673   1HH1  ARG  99          1HH1      ARG  99  -0.722   6.420  12.096
  674   2HH1  ARG  99          2HH1      ARG  99   0.009   4.900  12.485
  675   1HH2  ARG  99          1HH2      ARG  99   1.060   5.911  15.632
  676   2HH2  ARG  99          2HH2      ARG  99   1.019   4.611  14.488
  677    H    LEU 100           H        LEU 100  -4.185   7.168  15.380
  678    HA   LEU 100           HA       LEU 100  -7.142   6.916  15.641
  679   1HB   LEU 100          1HB       LEU 100  -4.812   5.187  15.220
  680   2HB   LEU 100          2HB       LEU 100  -5.913   4.552  16.442
  681    HG   LEU 100           HG       LEU 100  -7.780   5.115  14.712
  682   1HD1  LEU 100          1HD1      LEU 100  -5.552   6.064  13.315
  683   2HD1  LEU 100          2HD1      LEU 100  -5.934   4.529  12.535
  684   3HD1  LEU 100          3HD1      LEU 100  -7.162   5.791  12.648
  685   1HD2  LEU 100          1HD2      LEU 100  -5.903   2.845  14.904
  686   2HD2  LEU 100          2HD2      LEU 100  -7.667   2.851  14.931
  687   3HD2  LEU 100          3HD2      LEU 100  -6.808   2.916  13.392
  688    H    THR 101           H        THR 101  -8.005   7.436  17.620
  689    HA   THR 101           HA       THR 101  -6.257   7.142  20.041
  690    HB   THR 101           HB       THR 101  -8.666   8.928  19.571
  691    HG1  THR 101           HG1      THR 101  -6.601  10.410  19.723
  692   1HG2  THR 101          1HG2      THR 101  -7.602   8.155  21.948
  693   2HG2  THR 101          2HG2      THR 101  -6.600   9.562  21.595
  694   3HG2  THR 101          3HG2      THR 101  -8.353   9.728  21.684
  695    H    CYS 102           H        CYS 102  -9.229   6.177  18.508
  696    HA   CYS 102           HA       CYS 102 -10.853   5.447  20.700
  697   1HB   CYS 102          1HB       CYS 102 -10.397   4.031  18.051
  698   2HB   CYS 102          2HB       CYS 102 -11.814   3.834  19.081
  699    H    ILE 103           H        ILE 103  -9.125   2.945  18.847
  700    HA   ILE 103           HA       ILE 103  -8.613   1.493  21.409
  701    HB   ILE 103           HB       ILE 103  -8.491  -0.463  19.935
  702   1HG1  ILE 103          1HG1      ILE 103  -8.865   1.512  17.664
  703   2HG1  ILE 103          2HG1      ILE 103  -7.340   0.722  18.061
  704   1HG2  ILE 103          1HG2      ILE 103 -10.732   0.346  20.612
  705   2HG2  ILE 103          2HG2      ILE 103 -10.793   1.361  19.172
  706   3HG2  ILE 103          3HG2      ILE 103 -10.774  -0.395  19.012
  707   1HD1  ILE 103          1HD1      ILE 103  -8.403  -1.487  17.709
  708   2HD1  ILE 103          2HD1      ILE 103  -9.914  -0.683  17.283
  709   3HD1  ILE 103          3HD1      ILE 103  -8.493  -0.491  16.256
  710    H    GLY 104           H        GLY 104  -6.924   3.745  20.419
  711   1HA   GLY 104          2HA       GLY 104  -4.690   3.964  19.393
  712   2HA   GLY 104          1HA       GLY 104  -4.413   2.263  19.768
  713    H    SER 105           H        SER 105  -2.576   2.599  21.064
  714    HA   SER 105           HA       SER 105  -3.114   3.945  23.689
  715   1HB   SER 105          1HB       SER 105  -1.100   2.353  24.278
  716   2HB   SER 105          2HB       SER 105  -2.715   1.670  24.089
  717    HG   SER 105           HG       SER 105  -2.174   0.834  22.193
  718    HA   PRO 106           HA       PRO 106   0.200   6.727  22.967
  719   1HB   PRO 106          1HB       PRO 106   1.402   6.868  25.420
  720   2HB   PRO 106          2HB       PRO 106  -0.176   7.597  25.072
  721   1HG   PRO 106          2HG       PRO 106   0.476   5.049  26.467
  722   2HG   PRO 106          1HG       PRO 106  -0.795   6.229  26.812
  723   1HD   PRO 106          1HD       PRO 106  -1.215   3.854  25.507
  724   2HD   PRO 106          2HD       PRO 106  -2.241   5.290  25.311
  725    H    ALA 107           H        ALA 107   2.186   6.461  22.004
  726    HA   ALA 107           HA       ALA 107   3.686   3.951  22.499
  727   1HB   ALA 107          1HB       ALA 107   3.339   5.968  20.375
  728   2HB   ALA 107          3HB       ALA 107   3.669   4.242  20.237
  729   3HB   ALA 107          2HB       ALA 107   4.991   5.371  20.534
  730    H    ALA 108           H        ALA 108   3.851   7.350  23.230
  731    HA   ALA 108           HA       ALA 108   6.671   7.015  24.201
  732   1HB   ALA 108          1HB       ALA 108   7.056   9.163  23.457
  733   2HB   ALA 108          3HB       ALA 108   5.418   9.695  23.839
  734   3HB   ALA 108          2HB       ALA 108   5.723   8.763  22.374
  735    H    ASP 109           H        ASP 109   6.919   8.975  26.009
  736    HA   ASP 109           HA       ASP 109   5.145   8.129  28.203
  737   1HB   ASP 109          1HB       ASP 109   7.657   8.453  28.315
  738   2HB   ASP 109          2HB       ASP 109   7.374  10.186  28.154
  739    H    GLU 110           H        GLU 110   6.258  11.412  27.310
  740    HA   GLU 110           HA       GLU 110   3.589  12.471  28.094
  741   1HB   GLU 110          1HB       GLU 110   6.376  13.539  27.704
  742   2HB   GLU 110          2HB       GLU 110   5.011  14.655  27.707
  743   1HG   GLU 110          1HG       GLU 110   4.398  13.187  29.895
  744   2HG   GLU 110          2HG       GLU 110   6.156  13.057  29.936
  745    H    VAL 111           H        VAL 111   2.190  12.327  26.335
  746    HA   VAL 111           HA       VAL 111   3.206  13.367  23.708
  747    HB   VAL 111           HB       VAL 111   1.031  11.325  24.260
  748   1HG1  VAL 111          1HG1      VAL 111   1.665  12.838  21.966
  749   2HG1  VAL 111          2HG1      VAL 111   2.309  11.224  21.665
  750   3HG1  VAL 111          3HG1      VAL 111   0.601  11.435  22.051
  751   1HG2  VAL 111          1HG2      VAL 111   3.400  10.657  24.929
  752   2HG2  VAL 111          2HG2      VAL 111   2.627   9.620  23.731
  753   3HG2  VAL 111          3HG2      VAL 111   3.828  10.809  23.225
  754    H    LYS 112           H        LYS 112   2.156  15.183  23.008
  755    HA   LYS 112           HA       LYS 112  -0.319  16.035  24.422
  756   1HB   LYS 112          1HB       LYS 112   1.759  17.334  22.653
  757   2HB   LYS 112          2HB       LYS 112   0.252  18.160  23.051
  758   1HG   LYS 112          1HG       LYS 112   0.736  18.084  25.404
  759   2HG   LYS 112          2HG       LYS 112   2.096  16.991  25.149
  760   1HD   LYS 112          1HD       LYS 112   3.113  18.855  23.702
  761   2HD   LYS 112          2HD       LYS 112   1.884  19.911  24.398
  762   1HE   LYS 112          1HE       LYS 112   2.719  19.503  26.645
  763   2HE   LYS 112          2HE       LYS 112   3.840  18.266  26.047
  764   1HZ   LYS 112          1HZ       LYS 112   3.876  20.933  24.814
  765   2HZ   LYS 112          2HZ       LYS 112   4.617  20.741  26.330
  766   3HZ   LYS 112          3HZ       LYS 112   5.143  19.818  25.006
  767    H    ILE 113           H        ILE 113  -2.265  16.398  23.282
  768    HA   ILE 113           HA       ILE 113  -2.387  16.078  20.361
  769    HB   ILE 113           HB       ILE 113  -2.226  13.766  21.203
  770   1HG1  ILE 113          1HG1      ILE 113  -5.103  13.786  20.621
  771   2HG1  ILE 113          2HG1      ILE 113  -4.162  14.764  19.494
  772   1HG2  ILE 113          1HG2      ILE 113  -4.009  14.850  23.226
  773   2HG2  ILE 113          2HG2      ILE 113  -4.678  13.382  22.515
  774   3HG2  ILE 113          3HG2      ILE 113  -3.077  13.353  23.252
  775   1HD1  ILE 113          1HD1      ILE 113  -2.649  12.842  19.106
  776   2HD1  ILE 113          2HD1      ILE 113  -3.614  11.867  20.215
  777   3HD1  ILE 113          3HD1      ILE 113  -4.317  12.437  18.701
  778    H    VAL 114           H        VAL 114  -4.381  16.862  19.535
  779    HA   VAL 114           HA       VAL 114  -6.033  18.364  21.487
  780    HB   VAL 114           HB       VAL 114  -4.975  18.874  18.979
  781   1HG1  VAL 114          1HG1      VAL 114  -7.930  18.268  18.683
  782   2HG1  VAL 114          2HG1      VAL 114  -7.003  19.226  17.529
  783   3HG1  VAL 114          3HG1      VAL 114  -6.600  17.529  17.792
  784   1HG2  VAL 114          1HG2      VAL 114  -5.760  20.462  20.769
  785   2HG2  VAL 114          2HG2      VAL 114  -6.172  20.963  19.129
  786   3HG2  VAL 114          3HG2      VAL 114  -7.403  20.240  20.165
  787    H    TYR 115           H        TYR 115  -8.140  17.765  21.988
  788    HA   TYR 115           HA       TYR 115  -9.165  15.280  20.686
  789   1HB   TYR 115          2HB       TYR 115  -9.786  14.693  22.794
  790   2HB   TYR 115          1HB       TYR 115  -8.785  16.037  23.331
  791    HD1  TYR 115           HD1      TYR 115  -9.832  18.288  23.731
  792    HD2  TYR 115           HD2      TYR 115 -12.170  14.766  22.976
  793    HE1  TYR 115           HE1      TYR 115 -11.839  19.428  24.632
  794    HE2  TYR 115           HE2      TYR 115 -14.179  15.906  23.881
  795    HH   TYR 115           HH       TYR 115 -14.480  19.096  24.227
  796    H    ASN 116           H        ASN 116 -11.571  15.211  20.337
  797    HA   ASN 116           HA       ASN 116 -13.576  16.120  19.473
  798   1HB   ASN 116          1HB       ASN 116 -12.497  18.013  21.394
  799   2HB   ASN 116          2HB       ASN 116 -13.359  18.849  20.109
  800   2HD2  ASN 116          2HD2      ASN 116 -14.061  15.580  21.411
  801   1HD2  ASN 116          1HD2      ASN 116 -15.619  15.967  21.965
  802    H    ALA 117           H        ALA 117 -11.269  15.956  17.759
  803    HA   ALA 117           HA       ALA 117 -10.726  18.377  16.328
  804   1HB   ALA 117          1HB       ALA 117  -9.484  16.170  16.293
  805   2HB   ALA 117          3HB       ALA 117  -9.784  16.853  14.695
  806   3HB   ALA 117          2HB       ALA 117 -10.785  15.528  15.290
  807    H    LYS 118           H        LYS 118 -13.473  16.254  16.346
  808    HA   LYS 118           HA       LYS 118 -14.641  16.414  13.856
  809   1HB   LYS 118          1HB       LYS 118 -16.776  16.394  15.091
  810   2HB   LYS 118          2HB       LYS 118 -15.587  15.377  15.905
  811   1HG   LYS 118          1HG       LYS 118 -15.148  17.060  17.555
  812   2HG   LYS 118          2HG       LYS 118 -16.044  18.277  16.645
  813   1HD   LYS 118          1HD       LYS 118 -17.839  16.136  17.019
  814   2HD   LYS 118          2HD       LYS 118 -17.031  16.353  18.571
  815   1HE   LYS 118          1HE       LYS 118 -17.520  18.962  17.842
  816   2HE   LYS 118          2HE       LYS 118 -18.947  18.127  17.198
  817    H    HIS 119           H        HIS 119 -14.158  19.072  16.116
  818    HA   HIS 119           HA       HIS 119 -15.949  20.982  14.968
  819   1HB   HIS 119          1HB       HIS 119 -13.295  21.217  16.415
  820   2HB   HIS 119          2HB       HIS 119 -14.338  22.595  16.074
  821    HD1  HIS 119           HD1      HIS 119 -16.991  22.058  16.918
  822    HD2  HIS 119           HD2      HIS 119 -13.848  20.160  18.895
  823    HE1  HIS 119           HE1      HIS 119 -17.903  21.310  19.159
  824    H    LEU 120           H        LEU 120 -12.864  19.746  13.904
  825    HA   LEU 120           HA       LEU 120 -11.710  21.698  12.343
  826   1HB   LEU 120          1HB       LEU 120 -11.953  18.812  12.368
  827   2HB   LEU 120          2HB       LEU 120 -11.841  19.400  10.709
  828    HG   LEU 120           HG       LEU 120  -9.909  20.908  11.749
  829   1HD1  LEU 120          1HD1      LEU 120 -10.299  20.090  14.056
  830   2HD1  LEU 120          2HD1      LEU 120  -9.942  18.447  13.524
  831   3HD1  LEU 120          3HD1      LEU 120  -8.680  19.678  13.492
  832   1HD2  LEU 120          1HD2      LEU 120  -9.873  18.055  10.808
  833   2HD2  LEU 120          2HD2      LEU 120  -9.298  19.505   9.985
  834   3HD2  LEU 120          3HD2      LEU 120  -8.367  18.818  11.316
  835    H    ASP 121           H        ASP 121 -12.030  22.482  10.175
  836    HA   ASP 121           HA       ASP 121 -14.843  22.740   9.384
  837   1HB   ASP 121          1HB       ASP 121 -12.573  24.279   9.245
  838   2HB   ASP 121          2HB       ASP 121 -12.691  23.678   7.591
  839    H    TYR 122           H        TYR 122 -12.154  20.715   8.560
  840    HA   TYR 122           HA       TYR 122 -12.882  20.035   5.857
  841   1HB   TYR 122          1HB       TYR 122 -10.873  19.483   7.745
  842   2HB   TYR 122          2HB       TYR 122 -11.593  17.916   7.375
  843    HD1  TYR 122           HD1      TYR 122 -12.095  17.523   4.783
  844    HD2  TYR 122           HD2      TYR 122  -9.191  20.278   6.341
  845    HE1  TYR 122           HE1      TYR 122 -10.892  17.482   2.614
  846    HE2  TYR 122           HE2      TYR 122  -7.989  20.237   4.173
  847    HH   TYR 122           HH       TYR 122  -9.347  18.871   1.344
  848    H    LEU 123           H        LEU 123 -14.438  19.397   8.800
  849    HA   LEU 123           HA       LEU 123 -15.921  17.099   7.564
  850   1HB   LEU 123          1HB       LEU 123 -15.039  17.531  10.437
  851   2HB   LEU 123          2HB       LEU 123 -16.038  16.186   9.886
  852    HG   LEU 123           HG       LEU 123 -13.685  16.442   8.217
  853   1HD1  LEU 123          1HD1      LEU 123 -13.194  17.193  10.867
  854   2HD1  LEU 123          2HD1      LEU 123 -12.718  15.496  10.799
  855   3HD1  LEU 123          3HD1      LEU 123 -11.989  16.661   9.693
  856   1HD2  LEU 123          1HD2      LEU 123 -15.379  14.471   9.074
  857   2HD2  LEU 123          2HD2      LEU 123 -13.817  14.169   8.313
  858   3HD2  LEU 123          3HD2      LEU 123 -13.958  14.156  10.071
  859    H    GLN 124           H        GLN 124 -16.014  19.988   9.590
  860    HA   GLN 124           HA       GLN 124 -18.530  20.020  10.705
  861   1HB   GLN 124          1HB       GLN 124 -16.664  21.810  10.515
  862   2HB   GLN 124          2HB       GLN 124 -17.506  22.330   9.055
  863   1HG   GLN 124          1HG       GLN 124 -19.082  23.386  10.272
  864   2HG   GLN 124          2HG       GLN 124 -19.388  21.932  11.222
  865   2HE2  GLN 124          2HE2      GLN 124 -19.424  22.963  13.307
  866   1HE2  GLN 124          1HE2      GLN 124 -18.058  23.710  13.983
  867    H    ASN 125           H        ASN 125 -17.795  20.667   7.280
  868    HA   ASN 125           HA       ASN 125 -20.486  21.252   6.467
  869   1HB   ASN 125          1HB       ASN 125 -18.101  20.122   4.966
  870   2HB   ASN 125          2HB       ASN 125 -19.527  20.828   4.208
  871   2HD2  ASN 125          2HD2      ASN 125 -17.042  22.030   3.705
  872   1HD2  ASN 125          1HD2      ASN 125 -16.955  23.523   4.508
  873    H    ARG 126           H        ARG 126 -18.642  18.214   6.653
  874    HA   ARG 126           HA       ARG 126 -20.888  16.671   5.505
  875   1HB   ARG 126          1HB       ARG 126 -18.027  16.372   6.064
  876   2HB   ARG 126          2HB       ARG 126 -18.951  14.927   6.473
  877   1HG   ARG 126          1HG       ARG 126 -18.808  14.427   4.265
  878   2HG   ARG 126          2HG       ARG 126 -20.043  15.667   4.045
  879   1HD   ARG 126          1HD       ARG 126 -18.165  17.367   3.850
  880   2HD   ARG 126          2HD       ARG 126 -17.035  16.000   3.805
  881    HE   ARG 126           HE       ARG 126 -19.273  15.724   1.938
  882   1HH1  ARG 126          1HH1      ARG 126 -17.214  18.231   1.859
  883   2HH1  ARG 126          2HH1      ARG 126 -16.303  17.739   0.471
  884   1HH2  ARG 126          1HH2      ARG 126 -17.629  14.536   0.405
  885   2HH2  ARG 126          2HH2      ARG 126 -16.540  15.648  -0.354
  886    H    VAL 127           H        VAL 127 -21.026  18.107   8.221
  887    HA   VAL 127           HA       VAL 127 -21.059  16.036  10.258
  888    HB   VAL 127           HB       VAL 127 -22.104  18.858   9.976
  889   1HG1  VAL 127          1HG1      VAL 127 -22.831  16.810  11.951
  890   2HG1  VAL 127          2HG1      VAL 127 -22.174  18.276  12.679
  891   3HG1  VAL 127          3HG1      VAL 127 -23.583  18.372  11.623
  892   1HG2  VAL 127          1HG2      VAL 127 -19.601  18.099  10.318
  893   2HG2  VAL 127          2HG2      VAL 127 -20.243  19.457  11.243
  894   3HG2  VAL 127          3HG2      VAL 127 -20.112  17.865  11.990
  895    H    ILE 128           H        ILE 128 -23.598  17.684   8.353
  896    HA   ILE 128           HA       ILE 128 -25.776  16.150   9.506
  897    HB   ILE 128           HB       ILE 128 -25.619  17.661   6.880
  898   1HG1  ILE 128          2HG1      ILE 128 -24.773  19.132   8.589
  899   2HG1  ILE 128          1HG1      ILE 128 -26.450  19.594   8.295
  900   1HG2  ILE 128          1HG2      ILE 128 -27.680  16.183   8.014
  901   2HG2  ILE 128          2HG2      ILE 128 -28.045  17.836   8.508
  902   3HG2  ILE 128          3HG2      ILE 128 -27.870  17.445   6.798
  903   1HD1  ILE 128          1HD1      ILE 128 -26.813  17.727  10.228
  904   2HD1  ILE 128          2HD1      ILE 128 -25.223  18.337  10.689
  905   3HD1  ILE 128          3HD1      ILE 128 -26.593  19.442  10.575

  No H/Q in entry =         905
  Start of MODEL    2
    1    H2   PRO   1           H2       PRO   1   3.341   7.872  30.658
    2    H3   PRO   1           H3       PRO   1   3.952   6.783  29.502
    3    HA   PRO   1           HA       PRO   1   2.235   7.279  28.199
    4   1HB   PRO   1          1HB       PRO   1  -0.005   6.410  29.507
    5   2HB   PRO   1          2HB       PRO   1   1.191   5.306  28.800
    6   1HG   PRO   1          2HG       PRO   1   0.835   6.166  31.632
    7   2HG   PRO   1          1HG       PRO   1   1.238   4.570  30.982
    8   1HD   PRO   1          1HD       PRO   1   3.080   6.256  32.067
    9   2HD   PRO   1          2HD       PRO   1   3.470   5.067  30.808
   10    H    THR   2           H        THR   2   2.723   9.665  28.788
   11    HA   THR   2           HA       THR   2   0.427  10.881  30.287
   12    HB   THR   2           HB       THR   2   3.064  12.188  29.598
   13    HG1  THR   2           HG1      THR   2   3.927  11.310  31.400
   14   1HG2  THR   2          1HG2      THR   2   0.945  12.580  31.722
   15   2HG2  THR   2          2HG2      THR   2   2.518  13.376  31.771
   16   3HG2  THR   2          3HG2      THR   2   1.406  13.704  30.443
   17    H    VAL   3           H        VAL   3  -1.075  11.247  28.630
   18    HA   VAL   3           HA       VAL   3  -0.109  12.690  26.188
   19    HB   VAL   3           HB       VAL   3  -2.640  11.109  26.755
   20   1HG1  VAL   3          1HG1      VAL   3  -1.683  12.748  24.462
   21   2HG1  VAL   3          2HG1      VAL   3  -2.438  11.204  24.067
   22   3HG1  VAL   3          3HG1      VAL   3  -3.331  12.410  24.993
   23   1HG2  VAL   3          1HG2      VAL   3   0.038  10.298  26.098
   24   2HG2  VAL   3          2HG2      VAL   3  -1.390   9.289  26.330
   25   3HG2  VAL   3          3HG2      VAL   3  -1.022   9.941  24.733
   26    H    GLU   4           H        GLU   4  -0.403  14.881  26.444
   27    HA   GLU   4           HA       GLU   4  -2.458  15.963  28.235
   28   1HB   GLU   4          1HB       GLU   4  -0.038  16.779  27.672
   29   2HB   GLU   4          2HB       GLU   4  -0.795  17.511  26.258
   30   1HG   GLU   4          1HG       GLU   4  -2.110  18.956  27.549
   31   2HG   GLU   4          2HG       GLU   4  -1.989  17.938  28.985
   32    H    TYR   5           H        TYR   5  -4.549  16.216  27.553
   33    HA   TYR   5           HA       TYR   5  -5.123  16.394  24.639
   34   1HB   TYR   5          1HB       TYR   5  -7.434  15.947  25.408
   35   2HB   TYR   5          2HB       TYR   5  -6.308  14.764  26.072
   36    HD1  TYR   5           HD1      TYR   5  -8.206  17.869  26.837
   37    HD2  TYR   5           HD2      TYR   5  -5.924  14.595  28.424
   38    HE1  TYR   5           HE1      TYR   5  -8.896  18.501  29.134
   39    HE2  TYR   5           HE2      TYR   5  -6.612  15.227  30.721
   40    HH   TYR   5           HH       TYR   5  -8.683  18.074  31.299
   41    H    LEU   6           H        LEU   6  -5.934  18.264  23.709
   42    HA   LEU   6           HA       LEU   6  -6.523  20.580  25.528
   43   1HB   LEU   6          1HB       LEU   6  -4.311  20.291  23.971
   44   2HB   LEU   6          2HB       LEU   6  -5.400  21.064  22.820
   45    HG   LEU   6           HG       LEU   6  -4.531  22.099  25.527
   46   1HD1  LEU   6          1HD1      LEU   6  -3.787  22.573  22.769
   47   2HD1  LEU   6          2HD1      LEU   6  -4.402  24.054  23.502
   48   3HD1  LEU   6          3HD1      LEU   6  -3.044  23.202  24.240
   49   1HD2  LEU   6          1HD2      LEU   6  -6.941  22.707  23.880
   50   2HD2  LEU   6          2HD2      LEU   6  -6.725  22.794  25.628
   51   3HD2  LEU   6          3HD2      LEU   6  -6.090  24.076  24.597
   52    H    ASN   7           H        ASN   7  -8.499  21.525  25.103
   53    HA   ASN   7           HA       ASN   7 -10.331  20.427  23.194
   54   1HB   ASN   7          1HB       ASN   7 -10.826  21.661  25.335
   55   2HB   ASN   7          2HB       ASN   7 -10.355  23.154  24.525
   56   2HD2  ASN   7          2HD2      ASN   7 -12.561  24.019  24.643
   57   1HD2  ASN   7          1HD2      ASN   7 -13.803  23.397  23.668
   58    H    TYR   8           H        TYR   8 -10.100  20.657  21.005
   59    HA   TYR   8           HA       TYR   8  -8.456  22.546  19.670
   60   1HB   TYR   8          1HB       TYR   8  -9.217  20.500  18.633
   61   2HB   TYR   8          2HB       TYR   8 -10.905  20.962  18.843
   62    HD1  TYR   8           HD1      TYR   8 -11.754  23.048  17.634
   63    HD2  TYR   8           HD2      TYR   8  -8.004  21.167  16.714
   64    HE1  TYR   8           HE1      TYR   8 -11.713  24.205  15.440
   65    HE2  TYR   8           HE2      TYR   8  -7.963  22.324  14.520
   66    HH   TYR   8           HH       TYR   8  -8.895  24.101  13.363
   67    H    GLU   9           H        GLU   9 -11.589  22.918  21.092
   68    HA   GLU   9           HA       GLU   9 -12.501  25.140  19.457
   69   1HB   GLU   9          1HB       GLU   9 -13.361  23.516  21.689
   70   2HB   GLU   9          2HB       GLU   9 -13.663  25.219  22.036
   71   1HG   GLU   9          1HG       GLU   9 -14.575  25.243  19.556
   72   2HG   GLU   9          2HG       GLU   9 -14.760  23.511  19.826
   73    H    THR  10           H        THR  10 -10.828  24.855  22.600
   74    HA   THR  10           HA       THR  10 -10.788  27.602  23.317
   75    HB   THR  10           HB       THR  10  -8.689  25.441  23.724
   76    HG1  THR  10           HG1      THR  10 -11.201  25.605  24.544
   77   1HG2  THR  10          1HG2      THR  10  -9.302  27.971  25.274
   78   2HG2  THR  10          2HG2      THR  10  -8.138  26.739  25.762
   79   3HG2  THR  10          3HG2      THR  10  -7.867  27.676  24.293
   80    H    LEU  11           H        LEU  11  -8.796  25.754  21.055
   81    HA   LEU  11           HA       LEU  11  -6.813  27.834  20.626
   82   1HB   LEU  11          1HB       LEU  11  -6.290  25.528  20.174
   83   2HB   LEU  11          2HB       LEU  11  -7.706  25.349  19.138
   84    HG   LEU  11           HG       LEU  11  -6.760  26.781  17.459
   85   1HD1  LEU  11          1HD1      LEU  11  -5.781  28.404  19.118
   86   2HD1  LEU  11          2HD1      LEU  11  -4.443  27.278  19.349
   87   3HD1  LEU  11          3HD1      LEU  11  -4.705  28.025  17.773
   88   1HD2  LEU  11          1HD2      LEU  11  -5.069  24.613  18.590
   89   2HD2  LEU  11          2HD2      LEU  11  -5.763  24.773  16.977
   90   3HD2  LEU  11          3HD2      LEU  11  -4.301  25.664  17.399
   91    H    ASP  12           H        ASP  12  -9.804  26.820  18.979
   92    HA   ASP  12           HA       ASP  12  -9.555  28.834  16.869
   93   1HB   ASP  12          1HB       ASP  12 -10.660  26.739  16.415
   94   2HB   ASP  12          2HB       ASP  12 -11.718  26.932  17.813
   95    H    ASP  13           H        ASP  13 -11.513  28.418  19.825
   96    HA   ASP  13           HA       ASP  13 -13.069  30.813  19.544
   97   1HB   ASP  13          1HB       ASP  13 -13.254  28.691  21.079
   98   2HB   ASP  13          2HB       ASP  13 -12.226  29.613  22.175
   99    H    GLN  14           H        GLN  14  -9.965  30.139  21.162
  100    HA   GLN  14           HA       GLN  14  -9.694  32.894  22.141
  101   1HB   GLN  14          1HB       GLN  14  -8.839  30.612  23.103
  102   2HB   GLN  14          2HB       GLN  14  -7.511  30.824  21.961
  103   1HG   GLN  14          1HG       GLN  14  -6.802  31.806  24.039
  104   2HG   GLN  14          2HG       GLN  14  -7.177  33.140  22.947
  105   2HE2  GLN  14          2HE2      GLN  14  -8.377  31.335  25.774
  106   1HE2  GLN  14          1HE2      GLN  14  -9.521  32.498  26.241
  107    H    GLY  15           H        GLY  15  -8.497  30.956  19.430
  108   1HA   GLY  15          2HA       GLY  15  -7.772  33.366  17.964
  109   2HA   GLY  15          1HA       GLY  15  -7.570  31.709  17.393
  110    H    TRP  16           H        TRP  16  -5.950  30.631  19.366
  111    HA   TRP  16           HA       TRP  16  -3.540  32.410  19.415
  112   1HB   TRP  16          1HB       TRP  16  -4.874  30.659  21.287
  113   2HB   TRP  16          2HB       TRP  16  -3.208  30.129  21.055
  114    HD1  TRP  16           HD1      TRP  16  -4.609  31.807  23.594
  115    HE1  TRP  16           HE1      TRP  16  -3.335  33.891  24.418
  116    HE3  TRP  16           HE3      TRP  16  -1.664  32.703  19.522
  117    HZ2  TRP  16           HZ2      TRP  16  -1.329  35.699  23.473
  118    HZ3  TRP  16           HZ3      TRP  16  -0.082  34.611  19.511
  119    HH2  TRP  16           HH2      TRP  16   0.090  36.109  21.479
  120    H    ASP  17           H        ASP  17  -1.599  30.499  19.805
  121    HA   ASP  17           HA       ASP  17  -1.716  28.876  17.280
  122   1HB   ASP  17          1HB       ASP  17   0.031  30.961  18.198
  123   2HB   ASP  17          2HB       ASP  17   0.960  29.469  18.068
  124    H    MET  18           H        MET  18  -0.809  26.771  17.389
  125    HA   MET  18           HA       MET  18  -0.768  25.530  20.036
  126   1HB   MET  18          1HB       MET  18  -0.258  24.603  17.196
  127   2HB   MET  18          2HB       MET  18  -0.209  23.511  18.580
  128   1HG   MET  18          1HG       MET  18  -2.575  24.745  19.047
  129   2HG   MET  18          2HG       MET  18  -2.536  24.825  17.286
  130   1HE   MET  18          1HE       MET  18  -1.690  23.110  15.924
  131   2HE   MET  18          2HE       MET  18  -1.926  21.373  16.099
  132   3HE   MET  18          3HE       MET  18  -3.307  22.429  15.771
  133    H    ASP  19           H        ASP  19   1.627  26.504  17.613
  134    HA   ASP  19           HA       ASP  19   3.849  25.283  19.133
  135   1HB   ASP  19          1HB       ASP  19   5.157  26.174  17.216
  136   2HB   ASP  19          2HB       ASP  19   3.762  25.243  16.670
  137    H    ASP  20           H        ASP  20   2.634  28.534  18.307
  138    HA   ASP  20           HA       ASP  20   4.764  29.903  19.768
  139   1HB   ASP  20          1HB       ASP  20   2.567  30.474  17.972
  140   2HB   ASP  20          2HB       ASP  20   2.548  31.600  19.330
  141    H    ASP  21           H        ASP  21   1.313  30.532  20.274
  142    HA   ASP  21           HA       ASP  21   1.493  31.202  23.001
  143   1HB   ASP  21          1HB       ASP  21  -0.415  31.401  21.252
  144   2HB   ASP  21          2HB       ASP  21  -0.868  29.778  21.774
  145    H    ASP  22           H        ASP  22   1.629  28.065  21.524
  146    HA   ASP  22           HA       ASP  22   1.589  25.883  22.463
  147   1HB   ASP  22          1HB       ASP  22   3.492  27.617  23.593
  148   2HB   ASP  22          2HB       ASP  22   2.798  26.750  24.962
  149    H    LEU  23           H        LEU  23  -0.915  26.793  22.791
  150    HA   LEU  23           HA       LEU  23  -2.118  27.407  25.176
  151   1HB   LEU  23          1HB       LEU  23  -2.779  25.388  23.033
  152   2HB   LEU  23          2HB       LEU  23  -3.885  25.665  24.378
  153    HG   LEU  23           HG       LEU  23  -2.955  28.182  23.264
  154   1HD1  LEU  23          1HD1      LEU  23  -3.528  26.064  21.373
  155   2HD1  LEU  23          2HD1      LEU  23  -4.731  27.348  21.239
  156   3HD1  LEU  23          3HD1      LEU  23  -3.017  27.722  21.058
  157   1HD2  LEU  23          1HD2      LEU  23  -4.961  27.794  24.712
  158   2HD2  LEU  23          2HD2      LEU  23  -5.351  28.636  23.212
  159   3HD2  LEU  23          3HD2      LEU  23  -5.712  26.918  23.378
  160    H    PHE  24           H        PHE  24  -0.599  24.307  24.381
  161    HA   PHE  24           HA       PHE  24  -1.542  22.700  26.505
  162   1HB   PHE  24          1HB       PHE  24   1.011  22.908  24.916
  163   2HB   PHE  24          2HB       PHE  24   0.873  21.712  26.205
  164    HD1  PHE  24           HD1      PHE  24  -1.316  20.245  26.173
  165    HD2  PHE  24           HD2      PHE  24   0.226  22.376  22.777
  166    HE1  PHE  24           HE1      PHE  24  -2.597  18.757  24.657
  167    HE2  PHE  24           HE2      PHE  24  -1.056  20.889  21.262
  168    HZ   PHE  24           HZ       PHE  24  -2.467  19.080  22.202
  169    H    GLU  25           H        GLU  25   0.722  25.370  26.513
  170    HA   GLU  25           HA       GLU  25   1.437  24.802  29.366
  171   1HB   GLU  25          1HB       GLU  25   2.819  25.733  27.013
  172   2HB   GLU  25          2HB       GLU  25   2.919  26.963  28.272
  173   1HG   GLU  25          1HG       GLU  25   3.823  25.363  29.848
  174   2HG   GLU  25          2HG       GLU  25   3.549  24.032  28.723
  175    H    LYS  26           H        LYS  26   0.332  27.413  27.186
  176    HA   LYS  26           HA       LYS  26  -0.028  29.386  29.255
  177   1HB   LYS  26          1HB       LYS  26  -0.507  28.999  26.400
  178   2HB   LYS  26          2HB       LYS  26  -1.790  29.942  27.157
  179   1HG   LYS  26          1HG       LYS  26  -0.179  31.563  26.553
  180   2HG   LYS  26          2HG       LYS  26   0.128  31.283  28.266
  181   1HD   LYS  26          1HD       LYS  26   2.142  30.282  27.874
  182   2HD   LYS  26          2HD       LYS  26   1.569  29.478  26.412
  183   1HE   LYS  26          1HE       LYS  26   1.524  32.010  25.507
  184   2HE   LYS  26          2HE       LYS  26   2.799  32.182  26.727
  185   1HZ   LYS  26          1HZ       LYS  26   2.864  29.769  25.091
  186   2HZ   LYS  26          2HZ       LYS  26   3.257  31.215  24.293
  187   3HZ   LYS  26          3HZ       LYS  26   4.147  30.728  25.657
  188    H    ALA  27           H        ALA  27  -1.945  26.677  28.179
  189    HA   ALA  27           HA       ALA  27  -4.519  27.587  29.123
  190   1HB   ALA  27          1HB       ALA  27  -4.057  25.744  27.488
  191   2HB   ALA  27          3HB       ALA  27  -3.401  24.781  28.811
  192   3HB   ALA  27          2HB       ALA  27  -5.106  25.232  28.809
  193    H    ALA  28           H        ALA  28  -1.725  26.153  30.682
  194    HA   ALA  28           HA       ALA  28  -3.033  25.180  33.057
  195   1HB   ALA  28          1HB       ALA  28  -0.329  25.677  32.005
  196   2HB   ALA  28          3HB       ALA  28  -0.443  25.831  33.758
  197   3HB   ALA  28          2HB       ALA  28  -0.923  24.327  32.973
  198    H    ASP  29           H        ASP  29  -1.886  28.344  32.049
  199    HA   ASP  29           HA       ASP  29  -2.282  29.465  34.773
  200   1HB   ASP  29          1HB       ASP  29  -1.202  30.499  32.138
  201   2HB   ASP  29          2HB       ASP  29  -1.381  31.525  33.563
  202    H    ALA  30           H        ALA  30  -4.337  28.627  32.429
  203    HA   ALA  30           HA       ALA  30  -5.934  31.159  32.504
  204   1HB   ALA  30          1HB       ALA  30  -6.384  28.745  30.744
  205   2HB   ALA  30          3HB       ALA  30  -5.158  29.949  30.344
  206   3HB   ALA  30          2HB       ALA  30  -6.855  30.419  30.446
  207    H    GLY  31           H        GLY  31  -5.866  27.811  33.490
  208   1HA   GLY  31          2HA       GLY  31  -8.257  28.204  35.127
  209   2HA   GLY  31          1HA       GLY  31  -7.273  26.743  35.065
  210    H    LEU  32           H        LEU  32  -7.466  26.703  32.069
  211    HA   LEU  32           HA       LEU  32 -10.116  26.589  31.109
  212   1HB   LEU  32          1HB       LEU  32  -7.459  25.722  30.381
  213   2HB   LEU  32          2HB       LEU  32  -8.630  24.476  29.947
  214    HG   LEU  32           HG       LEU  32  -9.816  26.942  29.240
  215   1HD1  LEU  32          1HD1      LEU  32  -7.083  27.358  29.353
  216   2HD1  LEU  32          2HD1      LEU  32  -7.342  26.929  27.661
  217   3HD1  LEU  32          3HD1      LEU  32  -8.214  28.288  28.370
  218   1HD2  LEU  32          1HD2      LEU  32  -9.525  24.452  28.180
  219   2HD2  LEU  32          2HD2      LEU  32 -10.146  25.830  27.271
  220   3HD2  LEU  32          3HD2      LEU  32  -8.448  25.374  27.131
  221    H    ASP  33           H        ASP  33 -11.756  25.057  31.283
  222    HA   ASP  33           HA       ASP  33 -12.001  23.326  33.463
  223   1HB   ASP  33          1HB       ASP  33 -13.596  24.142  31.492
  224   2HB   ASP  33          2HB       ASP  33 -13.183  22.567  30.815
  225    H    GLY  34           H        GLY  34 -11.819  20.977  33.620
  226   1HA   GLY  34          2HA       GLY  34 -10.492  19.038  33.459
  227   2HA   GLY  34          1HA       GLY  34  -9.398  19.936  32.408
  228    H    GLU  35           H        GLU  35 -12.818  19.732  31.692
  229    HA   GLU  35           HA       GLU  35 -12.741  17.413  29.987
  230   1HB   GLU  35          1HB       GLU  35 -14.716  18.630  31.079
  231   2HB   GLU  35          2HB       GLU  35 -14.577  19.810  29.776
  232   1HG   GLU  35          2HG       GLU  35 -16.163  18.265  28.955
  233   2HG   GLU  35          1HG       GLU  35 -14.656  17.755  28.193
  234    H    ASP  36           H        ASP  36 -11.332  20.463  29.606
  235    HA   ASP  36           HA       ASP  36 -11.369  20.209  26.614
  236   1HB   ASP  36          1HB       ASP  36 -11.339  22.521  28.549
  237   2HB   ASP  36          2HB       ASP  36 -10.762  22.740  26.896
  238    H    TYR  37           H        TYR  37  -9.337  21.311  29.357
  239    HA   TYR  37           HA       TYR  37  -6.940  20.411  27.789
  240   1HB   TYR  37          1HB       TYR  37  -6.938  22.786  27.758
  241   2HB   TYR  37          2HB       TYR  37  -7.494  22.889  29.428
  242    HD1  TYR  37           HD1      TYR  37  -4.718  21.040  27.697
  243    HD2  TYR  37           HD2      TYR  37  -5.850  23.751  30.830
  244    HE1  TYR  37           HE1      TYR  37  -2.365  21.122  28.475
  245    HE2  TYR  37           HE2      TYR  37  -3.497  23.833  31.609
  246    HH   TYR  37           HH       TYR  37  -1.093  23.366  30.246
  247    H    GLY  38           H        GLY  38  -5.441  19.204  28.961
  248   1HA   GLY  38          2HA       GLY  38  -6.287  18.138  31.539
  249   2HA   GLY  38          1HA       GLY  38  -4.870  19.181  31.662
  250    H    THR  39           H        THR  39  -3.933  17.002  32.397
  251    HA   THR  39           HA       THR  39  -2.562  15.769  30.084
  252    HB   THR  39           HB       THR  39  -2.240  15.228  33.048
  253    HG1  THR  39           HG1      THR  39  -0.608  17.036  31.710
  254   1HG2  THR  39          1HG2      THR  39  -0.874  14.426  30.602
  255   2HG2  THR  39          2HG2      THR  39   0.223  15.214  31.738
  256   3HG2  THR  39          3HG2      THR  39  -0.698  13.796  32.240
  257    H    MET  40           H        MET  40  -3.281  13.866  29.220
  258    HA   MET  40           HA       MET  40  -5.379  12.319  30.607
  259   1HB   MET  40          1HB       MET  40  -4.967  13.019  28.040
  260   2HB   MET  40          2HB       MET  40  -4.137  11.463  28.034
  261   1HG   MET  40          1HG       MET  40  -6.912  11.767  29.188
  262   2HG   MET  40          2HG       MET  40  -6.656  11.456  27.469
  263   1HE   MET  40          1HE       MET  40  -6.496   9.771  26.474
  264   2HE   MET  40          2HE       MET  40  -5.088   8.751  26.758
  265   3HE   MET  40          3HE       MET  40  -6.703   8.112  27.050
  266    H    GLU  41           H        GLU  41  -5.028  10.309  31.551
  267    HA   GLU  41           HA       GLU  41  -2.203   9.323  31.598
  268   1HB   GLU  41          1HB       GLU  41  -4.167   9.856  33.555
  269   2HB   GLU  41          2HB       GLU  41  -4.026   8.100  33.489
  270   1HG   GLU  41          1HG       GLU  41  -1.387   9.114  33.342
  271   2HG   GLU  41          2HG       GLU  41  -2.193  10.015  34.625
  272    H    VAL  42           H        VAL  42  -1.857   7.610  30.238
  273    HA   VAL  42           HA       VAL  42  -4.141   5.758  29.664
  274    HB   VAL  42           HB       VAL  42  -1.549   6.305  28.181
  275   1HG1  VAL  42          1HG1      VAL  42  -3.768   4.365  27.843
  276   2HG1  VAL  42          2HG1      VAL  42  -3.242   5.191  26.377
  277   3HG1  VAL  42          3HG1      VAL  42  -2.087   4.253  27.324
  278   1HG2  VAL  42          1HG2      VAL  42  -3.299   8.173  28.308
  279   2HG2  VAL  42          2HG2      VAL  42  -2.835   7.652  26.688
  280   3HG2  VAL  42          3HG2      VAL  42  -4.357   7.102  27.388
  281    H    ALA  43           H        ALA  43  -4.012   3.865  30.802
  282    HA   ALA  43           HA       ALA  43  -1.577   2.998  32.136
  283   1HB   ALA  43          1HB       ALA  43  -4.255   2.649  32.469
  284   2HB   ALA  43          3HB       ALA  43  -3.047   1.595  33.202
  285   3HB   ALA  43          2HB       ALA  43  -3.835   1.121  31.696
  286    H    GLU  44           H        GLU  44   0.018   1.737  31.249
  287    HA   GLU  44           HA       GLU  44   0.285   1.007  28.583
  288   1HB   GLU  44          1HB       GLU  44   2.070   0.856  30.235
  289   2HB   GLU  44          2HB       GLU  44   1.208  -0.416  31.099
  290   1HG   GLU  44          1HG       GLU  44   1.520  -1.973  29.323
  291   2HG   GLU  44          2HG       GLU  44   2.013  -0.707  28.200
  292    H    GLY  45           H        GLY  45  -1.091  -0.200  27.343
  293   1HA   GLY  45          2HA       GLY  45  -2.183  -2.716  28.523
  294   2HA   GLY  45          1HA       GLY  45  -1.916  -2.452  26.798
  295    H    GLU  46           H        GLU  46  -3.107   0.404  27.923
  296    HA   GLU  46           HA       GLU  46  -5.955  -0.429  27.485
  297   1HB   GLU  46          1HB       GLU  46  -4.735   1.876  29.040
  298   2HB   GLU  46          2HB       GLU  46  -6.464   1.569  28.885
  299   1HG   GLU  46          1HG       GLU  46  -4.453  -0.362  30.083
  300   2HG   GLU  46          2HG       GLU  46  -5.553   0.659  31.009
  301    H    TYR  47           H        TYR  47  -7.001   0.520  25.766
  302    HA   TYR  47           HA       TYR  47  -5.592   2.015  23.777
  303   1HB   TYR  47          1HB       TYR  47  -8.557   1.706  24.357
  304   2HB   TYR  47          2HB       TYR  47  -7.875   2.249  22.822
  305    HD1  TYR  47           HD1      TYR  47  -5.712   0.587  22.170
  306    HD2  TYR  47           HD2      TYR  47  -9.294  -0.499  24.277
  307    HE1  TYR  47           HE1      TYR  47  -5.406  -1.774  21.474
  308    HE2  TYR  47           HE2      TYR  47  -8.988  -2.860  23.581
  309    HH   TYR  47           HH       TYR  47  -7.867  -4.206  22.088
  310    H    ILE  48           H        ILE  48  -5.263   4.207  23.577
  311    HA   ILE  48           HA       ILE  48  -5.482   6.074  25.616
  312    HB   ILE  48           HB       ILE  48  -5.592   6.243  22.608
  313   1HG1  ILE  48          1HG1      ILE  48  -3.475   7.466  24.319
  314   2HG1  ILE  48          2HG1      ILE  48  -3.541   5.705  24.251
  315   1HG2  ILE  48          1HG2      ILE  48  -5.773   8.497  24.612
  316   2HG2  ILE  48          2HG2      ILE  48  -5.106   8.744  22.998
  317   3HG2  ILE  48          3HG2      ILE  48  -6.778   8.218  23.190
  318   1HD1  ILE  48          1HD1      ILE  48  -3.496   5.834  21.762
  319   2HD1  ILE  48          2HD1      ILE  48  -3.334   7.587  21.879
  320   3HD1  ILE  48          3HD1      ILE  48  -2.055   6.539  22.494
  321    H    LEU  49           H        LEU  49  -7.808   6.017  22.878
  322    HA   LEU  49           HA       LEU  49  -9.753   7.723  23.888
  323   1HB   LEU  49          1HB       LEU  49  -9.949   6.826  21.690
  324   2HB   LEU  49          2HB       LEU  49  -9.905   5.165  22.282
  325    HG   LEU  49           HG       LEU  49 -12.074   6.689  23.496
  326   1HD1  LEU  49          1HD1      LEU  49 -11.663   7.573  20.982
  327   2HD1  LEU  49          2HD1      LEU  49 -12.613   6.132  20.622
  328   3HD1  LEU  49          3HD1      LEU  49 -13.276   7.388  21.668
  329   1HD2  LEU  49          1HD2      LEU  49 -11.446   4.044  22.602
  330   2HD2  LEU  49          2HD2      LEU  49 -12.812   4.565  23.588
  331   3HD2  LEU  49          3HD2      LEU  49 -12.951   4.541  21.830
  332    H    GLU  50           H        GLU  50  -9.101   4.390  24.859
  333    HA   GLU  50           HA       GLU  50 -11.532   4.133  26.469
  334   1HB   GLU  50          1HB       GLU  50 -10.364   2.243  25.370
  335   2HB   GLU  50          2HB       GLU  50  -8.944   2.543  26.371
  336   1HG   GLU  50          1HG       GLU  50  -9.861   1.499  28.160
  337   2HG   GLU  50          2HG       GLU  50 -11.412   2.309  27.936
  338    H    ALA  51           H        ALA  51  -8.046   4.588  27.177
  339    HA   ALA  51           HA       ALA  51  -8.220   4.674  30.001
  340   1HB   ALA  51          1HB       ALA  51  -6.373   6.501  28.522
  341   2HB   ALA  51          2HB       ALA  51  -6.253   4.773  28.196
  342   3HB   ALA  51          3HB       ALA  51  -6.017   5.380  29.835
  343    H    ALA  52           H        ALA  52  -8.584   7.276  27.616
  344    HA   ALA  52           HA       ALA  52  -9.059   9.337  29.631
  345   1HB   ALA  52          1HB       ALA  52  -8.450   9.131  26.882
  346   2HB   ALA  52          3HB       ALA  52 -10.015   9.939  26.965
  347   3HB   ALA  52          2HB       ALA  52  -8.628  10.616  27.818
  348    H    GLU  53           H        GLU  53 -11.020   7.106  27.767
  349    HA   GLU  53           HA       GLU  53 -13.553   8.409  27.983
  350   1HB   GLU  53          1HB       GLU  53 -12.450   5.706  27.450
  351   2HB   GLU  53          2HB       GLU  53 -14.133   5.749  27.977
  352   1HG   GLU  53          1HG       GLU  53 -13.294   7.708  25.885
  353   2HG   GLU  53          2HG       GLU  53 -13.457   6.021  25.399
  354    H    ALA  54           H        ALA  54 -11.792   6.259  30.166
  355    HA   ALA  54           HA       ALA  54 -13.966   6.020  32.095
  356   1HB   ALA  54          1HB       ALA  54 -11.220   5.576  33.032
  357   2HB   ALA  54          3HB       ALA  54 -11.562   4.757  31.508
  358   3HB   ALA  54          2HB       ALA  54 -12.562   4.435  32.924
  359    H    GLN  55           H        GLN  55 -11.914   8.557  31.277
  360    HA   GLN  55           HA       GLN  55 -11.779   9.639  34.055
  361   1HB   GLN  55          1HB       GLN  55 -10.495  10.400  31.413
  362   2HB   GLN  55          2HB       GLN  55 -10.233  11.278  32.920
  363   1HG   GLN  55          1HG       GLN  55  -9.798   8.630  33.638
  364   2HG   GLN  55          2HG       GLN  55  -9.092   8.734  32.026
  365   2HE2  GLN  55          2HE2      GLN  55  -8.610   9.554  35.349
  366   1HE2  GLN  55          1HE2      GLN  55  -7.216  10.499  35.140
  367    H    GLY  56           H        GLY  56 -13.376  10.076  30.976
  368   1HA   GLY  56          2HA       GLY  56 -14.704  12.527  32.069
  369   2HA   GLY  56          1HA       GLY  56 -15.567  11.306  31.133
  370    H    TYR  57           H        TYR  57 -13.118  11.022  29.357
  371    HA   TYR  57           HA       TYR  57 -13.190  13.640  27.927
  372   1HB   TYR  57          1HB       TYR  57 -11.417  11.182  27.772
  373   2HB   TYR  57          2HB       TYR  57 -11.225  12.596  26.734
  374    HD1  TYR  57           HD1      TYR  57 -11.750  14.843  28.508
  375    HD2  TYR  57           HD2      TYR  57  -9.639  11.185  29.295
  376    HE1  TYR  57           HE1      TYR  57 -10.456  15.975  30.296
  377    HE2  TYR  57           HE2      TYR  57  -8.345  12.317  31.082
  378    HH   TYR  57           HH       TYR  57  -9.179  15.477  32.233
  379    H    ASP  58           H        ASP  58 -15.060  13.576  26.649
  380    HA   ASP  58           HA       ASP  58 -15.770  11.121  25.168
  381   1HB   ASP  58          1HB       ASP  58 -17.760  12.404  24.615
  382   2HB   ASP  58          2HB       ASP  58 -17.397  12.661  26.321
  383    H    TRP  59           H        TRP  59 -14.648  10.741  23.292
  384    HA   TRP  59           HA       TRP  59 -13.727  13.063  21.657
  385   1HB   TRP  59          2HB       TRP  59 -13.082  10.099  21.503
  386   2HB   TRP  59          1HB       TRP  59 -12.235  11.396  20.659
  387    HD1  TRP  59           HD1      TRP  59 -13.001  10.261  24.270
  388    HE1  TRP  59           HE1      TRP  59 -11.049  11.009  25.777
  389    HE3  TRP  59           HE3      TRP  59 -10.202  12.846  20.871
  390    HZ2  TRP  59           HZ2      TRP  59  -8.617  12.504  25.570
  391    HZ3  TRP  59           HZ3      TRP  59  -8.074  13.920  21.550
  392    HH2  TRP  59           HH2      TRP  59  -7.278  13.752  23.893
  393    HA   PRO  60           HA       PRO  60 -16.984  12.217  18.795
  394   1HB   PRO  60          1HB       PRO  60 -15.992  13.632  16.671
  395   2HB   PRO  60          2HB       PRO  60 -16.737  14.402  18.084
  396   1HG   PRO  60          1HG       PRO  60 -13.859  14.061  17.402
  397   2HG   PRO  60          2HG       PRO  60 -14.682  15.435  18.154
  398   1HD   PRO  60          1HD       PRO  60 -13.205  13.592  19.539
  399   2HD   PRO  60          2HD       PRO  60 -14.536  14.527  20.250
  400    H    PHE  61           H        PHE  61 -16.049   9.895  18.823
  401    HA   PHE  61           HA       PHE  61 -14.430   9.268  16.398
  402   1HB   PHE  61          1HB       PHE  61 -14.308   7.021  17.568
  403   2HB   PHE  61          2HB       PHE  61 -13.634   8.363  18.493
  404    HD1  PHE  61           HD1      PHE  61 -16.884   6.561  17.962
  405    HD2  PHE  61           HD2      PHE  61 -14.339   8.684  20.695
  406    HE1  PHE  61           HE1      PHE  61 -18.472   6.089  19.807
  407    HE2  PHE  61           HE2      PHE  61 -15.927   8.211  22.541
  408    HZ   PHE  61           HZ       PHE  61 -17.994   6.914  22.097
  409    H    SER  62           H        SER  62 -15.173   7.551  14.966
  410    HA   SER  62           HA       SER  62 -17.846   6.421  15.194
  411   1HB   SER  62          1HB       SER  62 -17.790   9.034  14.435
  412   2HB   SER  62          2HB       SER  62 -17.647   8.250  12.861
  413    HG   SER  62           HG       SER  62 -19.635   7.743  14.819
  414    H    CYS  63           H        CYS  63 -16.358   4.575  14.758
  415    HA   CYS  63           HA       CYS  63 -15.016   4.434  12.151
  416   1HB   CYS  63          2HB       CYS  63 -15.552   2.135  14.030
  417   2HB   CYS  63          1HB       CYS  63 -14.150   2.405  12.998
  418    H    ARG  64           H        ARG  64 -18.176   4.423  12.795
  419    HA   ARG  64           HA       ARG  64 -19.321   2.038  11.831
  420   1HB   ARG  64          2HB       ARG  64 -21.237   3.456  11.349
  421   2HB   ARG  64          1HB       ARG  64 -20.443   4.083  12.794
  422   1HG   ARG  64          1HG       ARG  64 -19.280   5.773  11.449
  423   2HG   ARG  64          2HG       ARG  64 -20.001   5.122   9.977
  424   1HD   ARG  64          1HD       ARG  64 -21.252   7.117  10.790
  425   2HD   ARG  64          2HD       ARG  64 -22.264   5.662  10.869
  426    HE   ARG  64           HE       ARG  64 -20.677   6.264  13.288
  427   1HH1  ARG  64          1HH1      ARG  64 -23.388   7.553  11.772
  428   2HH1  ARG  64          2HH1      ARG  64 -24.465   7.306  13.105
  429   1HH2  ARG  64          1HH2      ARG  64 -22.183   5.461  14.951
  430   2HH2  ARG  64          2HH2      ARG  64 -23.782   6.124  14.907
  431    H    ALA  65           H        ALA  65 -17.617   4.562  10.088
  432    HA   ALA  65           HA       ALA  65 -18.555   3.857   7.435
  433   1HB   ALA  65          1HB       ALA  65 -16.407   5.512   8.705
  434   2HB   ALA  65          3HB       ALA  65 -17.677   6.002   7.583
  435   3HB   ALA  65          2HB       ALA  65 -16.257   5.142   6.987
  436    H    GLY  66           H        GLY  66 -17.722   2.312   6.041
  437   1HA   GLY  66          2HA       GLY  66 -16.254   0.661   5.205
  438   2HA   GLY  66          1HA       GLY  66 -16.343   0.059   6.861
  439    H    ALA  67           H        ALA  67 -14.338  -0.248   7.684
  440    HA   ALA  67           HA       ALA  67 -12.081   0.175   8.247
  441   1HB   ALA  67          1HB       ALA  67 -12.465   0.118   5.488
  442   2HB   ALA  67          2HB       ALA  67 -10.909   0.024   6.311
  443   3HB   ALA  67          3HB       ALA  67 -11.513   1.581   5.742
  444    H    CYS  68           H        CYS  68 -12.384   1.788   9.881
  445    HA   CYS  68           HA       CYS  68 -13.052   4.502   9.519
  446   1HB   CYS  68          1HB       CYS  68 -12.555   2.931  11.610
  447   2HB   CYS  68          2HB       CYS  68 -10.965   3.690  11.512
  448    H    ALA  69           H        ALA  69 -11.941   6.239   8.685
  449    HA   ALA  69           HA       ALA  69  -9.199   5.774   7.642
  450   1HB   ALA  69          1HB       ALA  69 -10.914   6.678   6.159
  451   2HB   ALA  69          3HB       ALA  69 -11.256   7.979   7.299
  452   3HB   ALA  69          2HB       ALA  69  -9.707   7.928   6.459
  453    H    ASN  70           H        ASN  70 -10.816   8.562   9.224
  454    HA   ASN  70           HA       ASN  70  -8.326   8.940  10.858
  455   1HB   ASN  70          1HB       ASN  70  -8.479  11.293  10.408
  456   2HB   ASN  70          2HB       ASN  70  -8.698  10.486   8.856
  457   2HD2  ASN  70          2HD2      ASN  70  -9.737  13.079   9.157
  458   1HD2  ASN  70          1HD2      ASN  70 -11.432  13.011   9.220
  459    H    CYS  71           H        CYS  71  -8.747  10.164  12.898
  460    HA   CYS  71           HA       CYS  71 -11.457   9.517  13.978
  461   1HB   CYS  71          1HB       CYS  71  -8.816  10.123  15.348
  462   2HB   CYS  71          2HB       CYS  71 -10.283   9.549  16.142
  463    H    ALA  72           H        ALA  72  -9.546  11.762  15.773
  464    HA   ALA  72           HA       ALA  72 -10.367  14.232  14.572
  465   1HB   ALA  72          1HB       ALA  72 -12.429  12.733  15.736
  466   2HB   ALA  72          3HB       ALA  72 -12.058  13.978  16.929
  467   3HB   ALA  72          2HB       ALA  72 -12.505  14.437  15.286
  468    H    SER  73           H        SER  73  -7.965  13.822  15.588
  469    HA   SER  73           HA       SER  73  -7.916  15.478  18.049
  470   1HB   SER  73          2HB       SER  73  -6.065  13.290  18.351
  471   2HB   SER  73          1HB       SER  73  -7.413  13.737  19.395
  472    HG   SER  73           HG       SER  73  -7.411  12.032  17.145
  473    H    ILE  74           H        ILE  74  -6.392  17.030  17.667
  474    HA   ILE  74           HA       ILE  74  -4.407  16.668  15.521
  475    HB   ILE  74           HB       ILE  74  -4.915  18.968  17.434
  476   1HG1  ILE  74          2HG1      ILE  74  -6.986  18.514  16.308
  477   2HG1  ILE  74          1HG1      ILE  74  -6.243  19.870  15.459
  478   1HG2  ILE  74          1HG2      ILE  74  -2.751  18.868  16.055
  479   2HG2  ILE  74          2HG2      ILE  74  -3.779  19.052  14.634
  480   3HG2  ILE  74          3HG2      ILE  74  -3.738  20.316  15.862
  481   1HD1  ILE  74          1HD1      ILE  74  -5.300  18.271  13.798
  482   2HD1  ILE  74          2HD1      ILE  74  -6.140  16.956  14.620
  483   3HD1  ILE  74          3HD1      ILE  74  -7.063  18.236  13.833
  484    H    VAL  75           H        VAL  75  -3.207  14.915  16.734
  485    HA   VAL  75           HA       VAL  75  -1.962  15.178  19.241
  486    HB   VAL  75           HB       VAL  75  -1.948  13.168  17.819
  487   1HG1  VAL  75          1HG1      VAL  75  -1.258  14.895  15.801
  488   2HG1  VAL  75          2HG1      VAL  75   0.281  14.102  16.131
  489   3HG1  VAL  75          3HG1      VAL  75  -1.131  13.139  15.697
  490   1HG2  VAL  75          1HG2      VAL  75   0.468  14.333  19.026
  491   2HG2  VAL  75          2HG2      VAL  75  -0.226  12.724  19.229
  492   3HG2  VAL  75          3HG2      VAL  75   0.806  13.070  17.842
  493    H    LYS  76           H        LYS  76  -0.832  16.992  19.904
  494    HA   LYS  76           HA       LYS  76   0.654  18.641  17.981
  495   1HB   LYS  76          1HB       LYS  76  -0.672  19.065  20.327
  496   2HB   LYS  76          2HB       LYS  76   0.995  19.015  20.900
  497   1HG   LYS  76          1HG       LYS  76  -0.168  20.834  18.776
  498   2HG   LYS  76          2HG       LYS  76   0.529  21.305  20.326
  499   1HD   LYS  76          1HD       LYS  76   2.710  20.270  19.530
  500   2HD   LYS  76          2HD       LYS  76   1.971  20.129  17.935
  501   1HE   LYS  76          1HE       LYS  76   2.019  22.413  17.567
  502   2HE   LYS  76          2HE       LYS  76   1.823  22.796  19.288
  503   1HZ   LYS  76          1HZ       LYS  76   4.234  21.413  18.266
  504   2HZ   LYS  76          2HZ       LYS  76   4.136  23.108  18.274
  505   3HZ   LYS  76          3HZ       LYS  76   4.038  22.244  19.734
  506    H    GLU  77           H        GLU  77   1.378  15.876  19.882
  507    HA   GLU  77           HA       GLU  77   4.112  15.764  19.001
  508   1HB   GLU  77          1HB       GLU  77   3.837  17.690  20.822
  509   2HB   GLU  77          2HB       GLU  77   3.960  16.330  21.939
  510   1HG   GLU  77          1HG       GLU  77   5.973  15.882  20.036
  511   2HG   GLU  77          2HG       GLU  77   6.046  17.612  20.374
  512    H    GLY  78           H        GLY  78   5.250  13.882  19.975
  513   1HA   GLY  78          2HA       GLY  78   3.727  12.147  21.788
  514   2HA   GLY  78          1HA       GLY  78   5.328  11.807  21.128
  515    H    GLU  79           H        GLU  79   4.473   9.627  20.658
  516    HA   GLU  79           HA       GLU  79   2.628   9.564  18.295
  517   1HB   GLU  79          1HB       GLU  79   4.892   9.380  17.482
  518   2HB   GLU  79          2HB       GLU  79   5.307   8.216  18.739
  519   1HG   GLU  79          1HG       GLU  79   4.103   6.490  17.721
  520   2HG   GLU  79          2HG       GLU  79   3.064   7.605  16.834
  521    H    ILE  80           H        ILE  80   1.610   7.400  18.013
  522    HA   ILE  80           HA       ILE  80   1.428   5.899  20.606
  523    HB   ILE  80           HB       ILE  80  -0.662   6.499  18.487
  524   1HG1  ILE  80          1HG1      ILE  80  -1.680   7.639  20.619
  525   2HG1  ILE  80          2HG1      ILE  80  -0.015   7.622  21.200
  526   1HG2  ILE  80          1HG2      ILE  80  -0.876   4.259  19.640
  527   2HG2  ILE  80          2HG2      ILE  80  -1.010   5.128  21.167
  528   3HG2  ILE  80          3HG2      ILE  80  -2.233   5.349  19.916
  529   1HD1  ILE  80          1HD1      ILE  80  -0.101   8.523  18.454
  530   2HD1  ILE  80          2HD1      ILE  80  -1.186   9.498  19.446
  531   3HD1  ILE  80          3HD1      ILE  80   0.520   9.363  19.874
  532    H    ASP  81           H        ASP  81   0.865   3.570  20.314
  533    HA   ASP  81           HA       ASP  81   1.882   2.501  17.699
  534   1HB   ASP  81          1HB       ASP  81   3.065   2.330  20.136
  535   2HB   ASP  81          2HB       ASP  81   2.056   0.885  20.187
  536    H    MET  82           H        MET  82   0.367   1.315  16.614
  537    HA   MET  82           HA       MET  82  -1.813  -0.003  18.204
  538   1HB   MET  82          1HB       MET  82  -3.188   0.491  16.112
  539   2HB   MET  82          2HB       MET  82  -2.704   1.908  17.042
  540   1HG   MET  82          1HG       MET  82  -0.703   1.111  15.052
  541   2HG   MET  82          2HG       MET  82  -2.256   1.536  14.331
  542   1HE   MET  82          1HE       MET  82  -1.500   3.123  13.091
  543   2HE   MET  82          2HE       MET  82  -2.618   4.334  13.713
  544   3HE   MET  82          3HE       MET  82  -0.917   4.741  13.501
  545    H    ASP  83           H        ASP  83  -2.930  -1.688  16.543
  546    HA   ASP  83           HA       ASP  83  -1.190  -3.846  16.126
  547   1HB   ASP  83          1HB       ASP  83  -3.872  -2.968  15.280
  548   2HB   ASP  83          2HB       ASP  83  -3.130  -4.134  14.184
  549    H    MET  84           H        MET  84  -0.145  -4.667  14.203
  550    HA   MET  84           HA       MET  84   1.230  -2.741  12.601
  551   1HB   MET  84          1HB       MET  84   0.680  -5.696  12.169
  552   2HB   MET  84          2HB       MET  84   1.949  -4.772  11.365
  553   1HG   MET  84          1HG       MET  84   3.083  -4.367  13.443
  554   2HG   MET  84          2HG       MET  84   1.722  -4.987  14.378
  555   1HE   MET  84          1HE       MET  84   0.983  -6.876  14.687
  556   2HE   MET  84          2HE       MET  84   1.164  -8.296  13.661
  557   3HE   MET  84          3HE       MET  84   2.127  -8.137  15.136
  558    H    GLN  85           H        GLN  85  -0.360  -1.371  11.586
  559    HA   GLN  85           HA       GLN  85  -1.501  -2.506   9.108
  560   1HB   GLN  85          1HB       GLN  85  -3.033  -1.711  11.547
  561   2HB   GLN  85          2HB       GLN  85  -3.732  -1.297   9.982
  562   1HG   GLN  85          1HG       GLN  85  -3.332  -3.725   9.308
  563   2HG   GLN  85          2HG       GLN  85  -2.977  -4.044  11.006
  564   2HE2  GLN  85          2HE2      GLN  85  -5.539  -2.390   9.055
  565   1HE2  GLN  85          1HE2      GLN  85  -6.826  -2.947  10.012
  566    H    GLN  86           H        GLN  86  -2.950  -0.482   8.150
  567    HA   GLN  86           HA       GLN  86  -1.444   2.053   8.647
  568   1HB   GLN  86          1HB       GLN  86  -1.806   0.481   6.096
  569   2HB   GLN  86          2HB       GLN  86  -1.484   2.214   6.051
  570   1HG   GLN  86          1HG       GLN  86   0.605   1.942   7.201
  571   2HG   GLN  86          2HG       GLN  86   0.240   0.261   7.594
  572   2HE2  GLN  86          2HE2      GLN  86   1.946   2.180   5.410
  573   1HE2  GLN  86          1HE2      GLN  86   2.089   1.064   4.140
  574    H    ILE  87           H        ILE  87  -3.476   2.738   9.696
  575    HA   ILE  87           HA       ILE  87  -5.866   2.958   7.941
  576    HB   ILE  87           HB       ILE  87  -5.424   3.742  10.839
  577   1HG1  ILE  87          1HG1      ILE  87  -4.925   1.317  10.302
  578   2HG1  ILE  87          2HG1      ILE  87  -6.246   1.559  11.445
  579   1HG2  ILE  87          1HG2      ILE  87  -7.812   3.453   9.036
  580   2HG2  ILE  87          2HG2      ILE  87  -7.987   3.166  10.767
  581   3HG2  ILE  87          3HG2      ILE  87  -7.437   4.737  10.185
  582   1HD1  ILE  87          1HD1      ILE  87  -7.862   1.379   9.545
  583   2HD1  ILE  87          2HD1      ILE  87  -6.511   1.011   8.473
  584   3HD1  ILE  87          3HD1      ILE  87  -6.923  -0.094   9.784
  585    H    LEU  88           H        LEU  88  -3.116   4.760   8.645
  586    HA   LEU  88           HA       LEU  88  -4.368   7.220   7.563
  587   1HB   LEU  88          1HB       LEU  88  -3.351   8.503   9.506
  588   2HB   LEU  88          2HB       LEU  88  -4.701   7.456   9.943
  589    HG   LEU  88           HG       LEU  88  -2.342   5.872  10.073
  590   1HD1  LEU  88          1HD1      LEU  88  -2.006   8.683  10.991
  591   2HD1  LEU  88          2HD1      LEU  88  -1.431   7.423  12.084
  592   3HD1  LEU  88          3HD1      LEU  88  -0.793   7.526  10.444
  593   1HD2  LEU  88          1HD2      LEU  88  -4.660   6.285  11.508
  594   2HD2  LEU  88          2HD2      LEU  88  -3.333   5.241  12.016
  595   3HD2  LEU  88          3HD2      LEU  88  -3.427   6.899  12.608
  596    H    SER  89           H        SER  89  -2.653   8.838   6.987
  597    HA   SER  89           HA       SER  89  -0.118   7.444   6.232
  598   1HB   SER  89          1HB       SER  89  -1.681   9.817   5.202
  599   2HB   SER  89          2HB       SER  89  -0.027   9.508   4.675
  600    HG   SER  89           HG       SER  89  -2.068   7.555   4.578
  601    H    ASP  90           H        ASP  90   1.910   8.649   6.494
  602    HA   ASP  90           HA       ASP  90   2.248   9.898   9.032
  603   1HB   ASP  90          1HB       ASP  90   3.830   9.651   6.486
  604   2HB   ASP  90          2HB       ASP  90   4.455  10.636   7.810
  605    H    GLU  91           H        GLU  91   2.089  11.329   5.768
  606    HA   GLU  91           HA       GLU  91   2.456  14.044   6.444
  607   1HB   GLU  91          1HB       GLU  91   1.203  12.438   4.293
  608   2HB   GLU  91          2HB       GLU  91   0.643  14.107   4.398
  609   1HG   GLU  91          1HG       GLU  91   3.585  13.600   4.571
  610   2HG   GLU  91          2HG       GLU  91   2.813  13.466   2.991
  611    H    GLU  92           H        GLU  92  -0.206  11.925   7.106
  612    HA   GLU  92           HA       GLU  92  -2.253  13.961   7.450
  613   1HB   GLU  92          1HB       GLU  92  -2.122  11.223   7.245
  614   2HB   GLU  92          2HB       GLU  92  -2.438  11.433   8.967
  615   1HG   GLU  92          1HG       GLU  92  -4.124  13.269   7.638
  616   2HG   GLU  92          2HG       GLU  92  -4.252  11.755   6.741
  617    H    VAL  93           H        VAL  93  -0.090  12.184   9.673
  618    HA   VAL  93           HA       VAL  93  -1.062  13.628  12.028
  619    HB   VAL  93           HB       VAL  93   1.455  11.976  11.684
  620   1HG1  VAL  93          1HG1      VAL  93   1.097  13.213  13.833
  621   2HG1  VAL  93          2HG1      VAL  93  -0.423  12.341  14.039
  622   3HG1  VAL  93          3HG1      VAL  93   1.106  11.462  14.041
  623   1HG2  VAL  93          1HG2      VAL  93  -1.435  11.135  11.928
  624   2HG2  VAL  93          2HG2      VAL  93  -0.228  10.580  10.768
  625   3HG2  VAL  93          3HG2      VAL  93  -0.122  10.082  12.456
  626    H    GLU  94           H        GLU  94   1.181  14.260   9.520
  627    HA   GLU  94           HA       GLU  94   2.768  16.159  11.186
  628   1HB   GLU  94          1HB       GLU  94   3.577  14.342   9.416
  629   2HB   GLU  94          2HB       GLU  94   3.220  15.633   8.269
  630   1HG   GLU  94          1HG       GLU  94   4.903  16.994   9.065
  631   2HG   GLU  94          2HG       GLU  94   4.790  16.351  10.704
  632    H    GLU  95           H        GLU  95   0.447  16.008   8.539
  633    HA   GLU  95           HA       GLU  95   0.662  18.915   8.012
  634   1HB   GLU  95          1HB       GLU  95   0.386  17.058   6.276
  635   2HB   GLU  95          2HB       GLU  95  -1.264  16.874   6.871
  636   1HG   GLU  95          2HG       GLU  95  -1.907  18.595   5.572
  637   2HG   GLU  95          1HG       GLU  95  -0.815  19.656   6.460
  638    H    LYS  96           H        LYS  96  -1.711  16.562   9.272
  639    HA   LYS  96           HA       LYS  96  -3.341  18.869  10.281
  640   1HB   LYS  96          1HB       LYS  96  -4.119  17.007   8.544
  641   2HB   LYS  96          2HB       LYS  96  -4.381  16.071  10.015
  642   1HG   LYS  96          1HG       LYS  96  -6.001  17.558  10.826
  643   2HG   LYS  96          2HG       LYS  96  -5.422  18.887   9.821
  644   1HD   LYS  96          1HD       LYS  96  -6.584  18.174   7.973
  645   2HD   LYS  96          2HD       LYS  96  -6.401  16.470   8.389
  646   1HE   LYS  96          1HE       LYS  96  -7.996  17.165  10.421
  647   2HE   LYS  96          2HE       LYS  96  -8.494  18.421   9.271
  648   1HZ   LYS  96          1HZ       LYS  96  -8.238  15.548   8.554
  649   2HZ   LYS  96          2HZ       LYS  96  -9.704  16.249   9.046
  650   3HZ   LYS  96          3HZ       LYS  96  -8.942  16.784   7.626
  651    H    ASP  97           H        ASP  97  -1.394  16.184  11.187
  652    HA   ASP  97           HA       ASP  97  -0.846  15.315  13.320
  653   1HB   ASP  97          2HB       ASP  97  -2.458  17.533  14.552
  654   2HB   ASP  97          1HB       ASP  97  -0.885  16.901  15.036
  655    H    VAL  98           H        VAL  98  -3.505  14.732  11.937
  656    HA   VAL  98           HA       VAL  98  -5.483  14.414  14.042
  657    HB   VAL  98           HB       VAL  98  -5.161  13.240  11.260
  658   1HG1  VAL  98          1HG1      VAL  98  -7.067  12.684  13.371
  659   2HG1  VAL  98          2HG1      VAL  98  -7.879  13.398  11.977
  660   3HG1  VAL  98          3HG1      VAL  98  -6.919  11.931  11.783
  661   1HG2  VAL  98          1HG2      VAL  98  -5.374  15.803  11.671
  662   2HG2  VAL  98          2HG2      VAL  98  -6.449  15.054  10.490
  663   3HG2  VAL  98          3HG2      VAL  98  -7.044  15.437  12.105
  664    H    ARG  99           H        ARG  99  -5.678  12.723  15.451
  665    HA   ARG  99           HA       ARG  99  -5.053   9.996  14.915
  666   1HB   ARG  99          1HB       ARG  99  -2.787  11.555  15.087
  667   2HB   ARG  99          2HB       ARG  99  -2.937  10.947  16.737
  668   1HG   ARG  99          1HG       ARG  99  -2.361   8.849  16.117
  669   2HG   ARG  99          2HG       ARG  99  -3.448   8.879  14.729
  670   1HD   ARG  99          2HD       ARG  99  -1.624   9.091  13.396
  671   2HD   ARG  99          1HD       ARG  99  -1.331  10.680  14.131
  672    HE   ARG  99           HE       ARG  99  -0.114   9.384  15.973
  673   1HH1  ARG  99          1HH1      ARG  99  -1.090   6.947  14.064
  674   2HH1  ARG  99          2HH1      ARG  99   0.477   6.379  13.594
  675   1HH2  ARG  99          1HH2      ARG  99   2.145   9.156  14.831
  676   2HH2  ARG  99          2HH2      ARG  99   2.309   7.631  14.029
  677    H    LEU 100           H        LEU 100  -6.938   9.655  16.188
  678    HA   LEU 100           HA       LEU 100  -6.969  10.649  18.987
  679   1HB   LEU 100          1HB       LEU 100  -8.882  10.595  17.167
  680   2HB   LEU 100          2HB       LEU 100  -9.068   8.924  17.700
  681    HG   LEU 100           HG       LEU 100  -8.960  11.190  19.690
  682   1HD1  LEU 100          1HD1      LEU 100 -10.927  10.922  17.700
  683   2HD1  LEU 100          2HD1      LEU 100 -11.639  10.212  19.149
  684   3HD1  LEU 100          3HD1      LEU 100 -11.048  11.873  19.180
  685   1HD2  LEU 100          1HD2      LEU 100  -9.502   8.290  19.681
  686   2HD2  LEU 100          2HD2      LEU 100  -8.944   9.326  20.995
  687   3HD2  LEU 100          3HD2      LEU 100 -10.663   9.241  20.607
  688    H    THR 101           H        THR 101  -5.930   7.900  17.292
  689    HA   THR 101           HA       THR 101  -5.485   5.666  17.960
  690    HB   THR 101           HB       THR 101  -4.250   5.661  20.063
  691    HG1  THR 101           HG1      THR 101  -5.098   8.274  20.599
  692   1HG2  THR 101          1HG2      THR 101  -3.983   7.842  18.107
  693   2HG2  THR 101          2HG2      THR 101  -3.199   8.165  19.652
  694   3HG2  THR 101          3HG2      THR 101  -2.763   6.728  18.726
  695    H    CYS 102           H        CYS 102  -7.892   5.177  17.797
  696    HA   CYS 102           HA       CYS 102  -9.405   5.100  20.326
  697   1HB   CYS 102          1HB       CYS 102 -10.008   4.022  17.551
  698   2HB   CYS 102          2HB       CYS 102 -11.179   4.263  18.848
  699    H    ILE 103           H        ILE 103  -7.230   3.066  18.622
  700    HA   ILE 103           HA       ILE 103  -7.852   0.826  20.484
  701    HB   ILE 103           HB       ILE 103  -7.589   0.557  17.472
  702   1HG1  ILE 103          1HG1      ILE 103 -10.020   0.540  19.282
  703   2HG1  ILE 103          2HG1      ILE 103  -9.679   1.672  17.974
  704   1HG2  ILE 103          1HG2      ILE 103  -7.063  -1.326  19.353
  705   2HG2  ILE 103          2HG2      ILE 103  -8.802  -1.555  19.168
  706   3HG2  ILE 103          3HG2      ILE 103  -7.739  -1.708  17.770
  707   1HD1  ILE 103          1HD1      ILE 103  -9.630  -0.374  16.427
  708   2HD1  ILE 103          2HD1      ILE 103 -10.350  -1.268  17.765
  709   3HD1  ILE 103          3HD1      ILE 103 -11.210   0.097  17.052
  710    H    GLY 104           H        GLY 104  -5.674   2.367  20.899
  711   1HA   GLY 104          2HA       GLY 104  -3.304   2.101  19.535
  712   2HA   GLY 104          1HA       GLY 104  -3.462   0.540  20.341
  713    H    SER 105           H        SER 105  -1.470   1.267  21.512
  714    HA   SER 105           HA       SER 105  -2.231   2.845  23.934
  715   1HB   SER 105          1HB       SER 105  -1.158   1.173  25.011
  716   2HB   SER 105          2HB       SER 105  -0.950   0.370  23.456
  717    HG   SER 105           HG       SER 105   0.860   1.715  24.993
  718    HA   PRO 106           HA       PRO 106   0.562   6.029  22.744
  719   1HB   PRO 106          1HB       PRO 106   1.140   7.074  25.205
  720   2HB   PRO 106          2HB       PRO 106  -0.422   7.311  24.398
  721   1HG   PRO 106          2HG       PRO 106   0.319   5.464  26.605
  722   2HG   PRO 106          1HG       PRO 106  -1.192   6.338  26.324
  723   1HD   PRO 106          1HD       PRO 106  -0.792   3.660  25.779
  724   2HD   PRO 106          2HD       PRO 106  -2.046   4.669  25.030
  725    H    ALA 107           H        ALA 107   2.739   5.955  22.259
  726    HA   ALA 107           HA       ALA 107   4.462   4.086  23.802
  727   1HB   ALA 107          1HB       ALA 107   4.590   5.468  21.119
  728   2HB   ALA 107          3HB       ALA 107   4.483   3.739  21.449
  729   3HB   ALA 107          2HB       ALA 107   5.981   4.609  21.781
  730    H    ALA 108           H        ALA 108   4.409   7.468  22.688
  731    HA   ALA 108           HA       ALA 108   6.905   8.204  23.956
  732   1HB   ALA 108          1HB       ALA 108   6.112   9.494  22.119
  733   2HB   ALA 108          3HB       ALA 108   5.880  10.533  23.525
  734   3HB   ALA 108          2HB       ALA 108   4.509   9.665  22.835
  735    H    ASP 109           H        ASP 109   7.250   8.943  26.041
  736    HA   ASP 109           HA       ASP 109   5.381   8.439  28.131
  737   1HB   ASP 109          1HB       ASP 109   7.033   9.896  29.418
  738   2HB   ASP 109          2HB       ASP 109   7.752   8.551  28.532
  739    H    GLU 110           H        GLU 110   6.078  11.378  26.268
  740    HA   GLU 110           HA       GLU 110   3.726  12.683  27.602
  741   1HB   GLU 110          1HB       GLU 110   6.450  13.711  26.786
  742   2HB   GLU 110          2HB       GLU 110   5.099  14.810  27.068
  743   1HG   GLU 110          1HG       GLU 110   4.983  14.295  29.342
  744   2HG   GLU 110          2HG       GLU 110   5.750  12.722  29.127
  745    H    VAL 111           H        VAL 111   2.144  12.541  26.021
  746    HA   VAL 111           HA       VAL 111   2.918  13.287  23.219
  747    HB   VAL 111           HB       VAL 111   0.684  11.536  24.296
  748   1HG1  VAL 111          1HG1      VAL 111   0.213  12.782  22.140
  749   2HG1  VAL 111          2HG1      VAL 111   1.585  11.929  21.430
  750   3HG1  VAL 111          3HG1      VAL 111   0.181  11.024  21.995
  751   1HG2  VAL 111          1HG2      VAL 111   3.294  10.875  24.214
  752   2HG2  VAL 111          2HG2      VAL 111   2.013   9.710  23.878
  753   3HG2  VAL 111          3HG2      VAL 111   2.859  10.500  22.547
  754    H    LYS 112           H        LYS 112   2.116  15.250  22.606
  755    HA   LYS 112           HA       LYS 112  -0.099  16.487  24.143
  756   1HB   LYS 112          1HB       LYS 112   1.606  17.532  21.858
  757   2HB   LYS 112          2HB       LYS 112   0.615  18.497  22.951
  758   1HG   LYS 112          1HG       LYS 112   2.005  17.799  24.854
  759   2HG   LYS 112          2HG       LYS 112   2.977  16.785  23.788
  760   1HD   LYS 112          1HD       LYS 112   4.124  18.562  22.936
  761   2HD   LYS 112          2HD       LYS 112   2.697  19.599  22.922
  762   1HE   LYS 112          1HE       LYS 112   2.935  20.113  25.256
  763   2HE   LYS 112          2HE       LYS 112   4.133  18.826  25.484
  764   1HZ   LYS 112          1HZ       LYS 112   5.113  20.289  23.399
  765   2HZ   LYS 112          2HZ       LYS 112   4.483  21.479  24.433
  766   3HZ   LYS 112          3HZ       LYS 112   5.648  20.386  25.007
  767    H    ILE 113           H        ILE 113  -2.144  16.835  23.239
  768    HA   ILE 113           HA       ILE 113  -2.609  16.498  20.359
  769    HB   ILE 113           HB       ILE 113  -2.422  14.194  21.282
  770   1HG1  ILE 113          1HG1      ILE 113  -4.088  14.959  19.423
  771   2HG1  ILE 113          2HG1      ILE 113  -4.271  13.351  20.116
  772   1HG2  ILE 113          1HG2      ILE 113  -4.225  15.370  23.280
  773   2HG2  ILE 113          2HG2      ILE 113  -4.759  13.794  22.691
  774   3HG2  ILE 113          3HG2      ILE 113  -3.158  13.972  23.412
  775   1HD1  ILE 113          1HD1      ILE 113  -5.727  15.352  21.661
  776   2HD1  ILE 113          2HD1      ILE 113  -6.246  15.323  19.976
  777   3HD1  ILE 113          3HD1      ILE 113  -6.310  13.851  20.942
  778    H    VAL 114           H        VAL 114  -4.721  17.230  19.749
  779    HA   VAL 114           HA       VAL 114  -6.161  18.738  21.900
  780    HB   VAL 114           HB       VAL 114  -6.216  19.038  18.879
  781   1HG1  VAL 114          1HG1      VAL 114  -8.126  19.941  20.384
  782   2HG1  VAL 114          2HG1      VAL 114  -6.931  21.106  20.956
  783   3HG1  VAL 114          3HG1      VAL 114  -7.376  21.065  19.249
  784   1HG2  VAL 114          1HG2      VAL 114  -4.201  19.766  20.823
  785   2HG2  VAL 114          2HG2      VAL 114  -4.173  19.967  19.071
  786   3HG2  VAL 114          3HG2      VAL 114  -4.892  21.213  20.090
  787    H    TYR 115           H        TYR 115  -8.120  17.875  22.505
  788    HA   TYR 115           HA       TYR 115  -9.317  15.722  20.880
  789   1HB   TYR 115          1HB       TYR 115 -10.152  15.055  22.899
  790   2HB   TYR 115          2HB       TYR 115  -8.980  16.191  23.558
  791    HD1  TYR 115           HD1      TYR 115  -9.800  18.686  23.795
  792    HD2  TYR 115           HD2      TYR 115 -12.412  15.294  23.416
  793    HE1  TYR 115           HE1      TYR 115 -11.652  20.004  24.778
  794    HE2  TYR 115           HE2      TYR 115 -14.267  16.616  24.400
  795    HH   TYR 115           HH       TYR 115 -14.932  18.836  24.798
  796    H    ASN 116           H        ASN 116 -11.735  15.788  20.505
  797    HA   ASN 116           HA       ASN 116 -13.693  16.857  19.710
  798   1HB   ASN 116          1HB       ASN 116 -12.646  18.436  21.768
  799   2HB   ASN 116          2HB       ASN 116 -12.913  19.569  20.447
  800   2HD2  ASN 116          2HD2      ASN 116 -14.553  19.798  22.705
  801   1HD2  ASN 116          1HD2      ASN 116 -16.123  19.268  22.335
  802    H    ALA 117           H        ALA 117 -11.519  16.466  17.920
  803    HA   ALA 117           HA       ALA 117 -10.770  18.846  16.484
  804   1HB   ALA 117          1HB       ALA 117  -9.599  16.674  16.380
  805   2HB   ALA 117          2HB       ALA 117 -11.016  15.943  15.627
  806   3HB   ALA 117          3HB       ALA 117 -10.101  17.182  14.768
  807    H    LYS 118           H        LYS 118 -13.765  17.266  16.756
  808    HA   LYS 118           HA       LYS 118 -14.858  17.472  14.133
  809   1HB   LYS 118          2HB       LYS 118 -16.944  17.190  15.280
  810   2HB   LYS 118          1HB       LYS 118 -15.746  16.340  16.256
  811   1HG   LYS 118          1HG       LYS 118 -15.555  18.279  17.750
  812   2HG   LYS 118          2HG       LYS 118 -16.698  19.178  16.754
  813   1HD   LYS 118          1HD       LYS 118 -17.236  16.704  18.414
  814   2HD   LYS 118          2HD       LYS 118 -17.964  18.300  18.589
  815   1HE   LYS 118          1HE       LYS 118 -18.592  17.721  15.981
  816   2HE   LYS 118          2HE       LYS 118 -18.667  16.114  16.727
  817    H    HIS 119           H        HIS 119 -14.036  19.914  16.451
  818    HA   HIS 119           HA       HIS 119 -15.883  21.965  15.566
  819   1HB   HIS 119          1HB       HIS 119 -13.216  22.016  17.015
  820   2HB   HIS 119          2HB       HIS 119 -14.291  23.406  16.867
  821    HD1  HIS 119           HD1      HIS 119 -17.000  22.338  17.466
  822    HD2  HIS 119           HD2      HIS 119 -13.643  21.005  19.549
  823    HE1  HIS 119           HE1      HIS 119 -17.846  21.378  19.652
  824    H    LEU 120           H        LEU 120 -12.821  20.759  14.384
  825    HA   LEU 120           HA       LEU 120 -11.631  22.854  13.037
  826   1HB   LEU 120          1HB       LEU 120 -11.676  20.043  12.936
  827   2HB   LEU 120          2HB       LEU 120 -11.959  20.566  11.277
  828    HG   LEU 120           HG       LEU 120  -9.804  21.923  12.858
  829   1HD1  LEU 120          1HD1      LEU 120  -9.734  19.114  11.772
  830   2HD1  LEU 120          2HD1      LEU 120  -8.268  20.093  11.806
  831   3HD1  LEU 120          3HD1      LEU 120  -9.115  19.721  13.308
  832   1HD2  LEU 120          1HD2      LEU 120 -10.773  21.981  10.216
  833   2HD2  LEU 120          2HD2      LEU 120  -9.308  22.754  10.822
  834   3HD2  LEU 120          3HD2      LEU 120  -9.229  21.135  10.126
  835    H    ASP 121           H        ASP 121 -12.330  24.326  11.545
  836    HA   ASP 121           HA       ASP 121 -14.976  24.517  10.575
  837   1HB   ASP 121          1HB       ASP 121 -13.310  26.335  10.649
  838   2HB   ASP 121          2HB       ASP 121 -12.365  25.527   9.399
  839    H    TYR 122           H        TYR 122 -12.223  22.725   9.305
  840    HA   TYR 122           HA       TYR 122 -13.397  22.235   6.678
  841   1HB   TYR 122          1HB       TYR 122 -10.997  22.244   7.000
  842   2HB   TYR 122          2HB       TYR 122 -11.116  21.027   8.271
  843    HD1  TYR 122           HD1      TYR 122 -11.395  21.644   4.637
  844    HD2  TYR 122           HD2      TYR 122 -11.462  18.685   7.751
  845    HE1  TYR 122           HE1      TYR 122 -11.232  19.847   2.934
  846    HE2  TYR 122           HE2      TYR 122 -11.299  16.889   6.047
  847    HH   TYR 122           HH       TYR 122 -11.812  17.432   2.750
  848    H    LEU 123           H        LEU 123 -13.443  20.639   9.812
  849    HA   LEU 123           HA       LEU 123 -14.609  18.156   8.727
  850   1HB   LEU 123          1HB       LEU 123 -13.057  18.833  10.886
  851   2HB   LEU 123          2HB       LEU 123 -14.650  18.701  11.630
  852    HG   LEU 123           HG       LEU 123 -13.955  16.546   9.717
  853   1HD1  LEU 123          1HD1      LEU 123 -11.891  17.225  11.292
  854   2HD1  LEU 123          2HD1      LEU 123 -12.797  16.251  12.450
  855   3HD1  LEU 123          3HD1      LEU 123 -12.269  15.542  10.925
  856   1HD2  LEU 123          1HD2      LEU 123 -15.964  16.936  11.454
  857   2HD2  LEU 123          2HD2      LEU 123 -15.382  15.321  11.048
  858   3HD2  LEU 123          3HD2      LEU 123 -14.840  16.106  12.532
  859    H    GLN 124           H        GLN 124 -15.666  21.032  10.522
  860    HA   GLN 124           HA       GLN 124 -18.192  20.358  11.424
  861   1HB   GLN 124          1HB       GLN 124 -17.121  22.807  10.013
  862   2HB   GLN 124          2HB       GLN 124 -18.741  22.775  10.708
  863   1HG   GLN 124          1HG       GLN 124 -17.183  21.738  12.746
  864   2HG   GLN 124          2HG       GLN 124 -16.137  22.974  12.048
  865   2HE2  GLN 124          2HE2      GLN 124 -19.303  22.449  13.592
  866   1HE2  GLN 124          1HE2      GLN 124 -19.576  24.081  13.973
  867    H    ASN 125           H        ASN 125 -17.157  20.653   8.082
  868    HA   ASN 125           HA       ASN 125 -19.609  20.981   6.732
  869   1HB   ASN 125          1HB       ASN 125 -16.907  19.991   6.232
  870   2HB   ASN 125          2HB       ASN 125 -18.105  19.160   5.239
  871   2HD2  ASN 125          2HD2      ASN 125 -17.878  20.221   3.228
  872   1HD2  ASN 125          1HD2      ASN 125 -18.024  21.898   3.018
  873    H    ARG 126           H        ARG 126 -18.067  17.931   7.809
  874    HA   ARG 126           HA       ARG 126 -19.898  16.054   6.847
  875   1HB   ARG 126          1HB       ARG 126 -18.620  16.112   9.598
  876   2HB   ARG 126          2HB       ARG 126 -19.089  14.678   8.686
  877   1HG   ARG 126          1HG       ARG 126 -17.497  15.654   6.846
  878   2HG   ARG 126          2HG       ARG 126 -16.814  16.581   8.182
  879   1HD   ARG 126          1HD       ARG 126 -15.779  14.743   9.047
  880   2HD   ARG 126          2HD       ARG 126 -17.219  13.732   8.822
  881    HE   ARG 126           HE       ARG 126 -15.373  14.449   6.567
  882   1HH1  ARG 126          1HH1      ARG 126 -16.426  11.982   8.598
  883   2HH1  ARG 126          2HH1      ARG 126 -16.719  10.832   7.335
  884   1HH2  ARG 126          1HH2      ARG 126 -16.196  13.112   4.776
  885   2HH2  ARG 126          2HH2      ARG 126 -16.587  11.471   5.171
  886    H    VAL 127           H        VAL 127 -20.193  18.115   9.736
  887    HA   VAL 127           HA       VAL 127 -22.603  16.930  10.761
  888    HB   VAL 127           HB       VAL 127 -21.396  19.707  10.983
  889   1HG1  VAL 127          1HG1      VAL 127 -23.750  18.393  12.287
  890   2HG1  VAL 127          2HG1      VAL 127 -22.750  19.476  13.254
  891   3HG1  VAL 127          3HG1      VAL 127 -23.538  20.072  11.794
  892   1HG2  VAL 127          1HG2      VAL 127 -20.257  17.407  11.777
  893   2HG2  VAL 127          2HG2      VAL 127 -20.111  18.895  12.712
  894   3HG2  VAL 127          3HG2      VAL 127 -21.306  17.680  13.167
  895    H    ILE 128           H        ILE 128 -24.697  17.177  10.062
  896    HA   ILE 128           HA       ILE 128 -25.395  18.384   7.593
  897    HB   ILE 128           HB       ILE 128 -27.732  18.146   8.557
  898   1HG1  ILE 128          1HG1      ILE 128 -26.486  16.846  10.946
  899   2HG1  ILE 128          2HG1      ILE 128 -26.640  18.603  10.946
  900   1HG2  ILE 128          1HG2      ILE 128 -25.682  15.939   8.649
  901   2HG2  ILE 128          2HG2      ILE 128 -27.370  15.613   9.045
  902   3HG2  ILE 128          3HG2      ILE 128 -26.942  16.226   7.448
  903   1HD1  ILE 128          1HD1      ILE 128 -29.108  17.873  10.039
  904   2HD1  ILE 128          2HD1      ILE 128 -28.739  16.523  11.112
  905   3HD1  ILE 128          3HD1      ILE 128 -28.736  18.173  11.737

  No H/Q in entry =         905
  Start of MODEL    3
    1    H2   PRO   1           H2       PRO   1   2.164   6.476  31.081
    2    H3   PRO   1           H3       PRO   1   3.737   6.011  30.631
    3    HA   PRO   1           HA       PRO   1   3.779   7.691  29.196
    4   1HB   PRO   1          1HB       PRO   1   1.838   7.174  27.336
    5   2HB   PRO   1          2HB       PRO   1   3.345   6.244  27.447
    6   1HG   PRO   1          2HG       PRO   1   0.620   5.580  28.459
    7   2HG   PRO   1          1HG       PRO   1   1.822   4.534  27.688
    8   1HD   PRO   1          1HD       PRO   1   1.391   4.587  30.374
    9   2HD   PRO   1          2HD       PRO   1   2.963   4.188  29.649
   10    H    THR   2           H        THR   2   3.019   9.798  29.131
   11    HA   THR   2           HA       THR   2   0.251  10.285  30.183
   12    HB   THR   2           HB       THR   2   2.369  12.382  30.222
   13    HG1  THR   2           HG1      THR   2   2.406  10.026  31.794
   14   1HG2  THR   2          1HG2      THR   2  -0.074  12.330  31.233
   15   2HG2  THR   2          2HG2      THR   2   0.722  11.473  32.553
   16   3HG2  THR   2          3HG2      THR   2   1.242  13.102  32.118
   17    H    VAL   3           H        VAL   3  -1.132  11.242  28.740
   18    HA   VAL   3           HA       VAL   3   0.056  12.711  26.406
   19    HB   VAL   3           HB       VAL   3  -2.425  10.980  26.660
   20   1HG1  VAL   3          1HG1      VAL   3  -2.696  12.980  25.148
   21   2HG1  VAL   3          2HG1      VAL   3  -1.340  12.375  24.196
   22   3HG1  VAL   3          3HG1      VAL   3  -2.826  11.431  24.315
   23   1HG2  VAL   3          1HG2      VAL   3   0.078  10.092  26.400
   24   2HG2  VAL   3          2HG2      VAL   3  -1.255   9.342  25.522
   25   3HG2  VAL   3          3HG2      VAL   3  -0.209  10.506  24.710
   26    H    GLU   4           H        GLU   4  -0.349  14.879  26.680
   27    HA   GLU   4           HA       GLU   4  -2.533  15.826  28.390
   28   1HB   GLU   4          1HB       GLU   4  -0.121  16.747  27.975
   29   2HB   GLU   4          2HB       GLU   4  -0.835  17.498  26.549
   30   1HG   GLU   4          1HG       GLU   4  -2.214  18.888  27.805
   31   2HG   GLU   4          2HG       GLU   4  -2.222  17.798  29.191
   32    H    TYR   5           H        TYR   5  -4.603  15.904  27.583
   33    HA   TYR   5           HA       TYR   5  -5.045  16.170  24.664
   34   1HB   TYR   5          1HB       TYR   5  -7.373  15.665  25.312
   35   2HB   TYR   5          2HB       TYR   5  -6.261  14.512  26.048
   36    HD1  TYR   5           HD1      TYR   5  -8.211  17.621  26.690
   37    HD2  TYR   5           HD2      TYR   5  -6.065  14.324  28.410
   38    HE1  TYR   5           HE1      TYR   5  -9.045  18.250  28.940
   39    HE2  TYR   5           HE2      TYR   5  -6.897  14.953  30.658
   40    HH   TYR   5           HH       TYR   5  -9.203  17.622  31.080
   41    H    LEU   6           H        LEU   6  -5.922  18.012  23.707
   42    HA   LEU   6           HA       LEU   6  -6.577  20.321  25.514
   43   1HB   LEU   6          1HB       LEU   6  -4.371  20.003  23.852
   44   2HB   LEU   6          2HB       LEU   6  -5.472  20.971  22.876
   45    HG   LEU   6           HG       LEU   6  -4.495  21.605  25.676
   46   1HD1  LEU   6          1HD1      LEU   6  -3.157  22.034  23.406
   47   2HD1  LEU   6          2HD1      LEU   6  -4.237  23.426  23.320
   48   3HD1  LEU   6          3HD1      LEU   6  -3.164  23.227  24.705
   49   1HD2  LEU   6          1HD2      LEU   6  -6.985  22.212  24.662
   50   2HD2  LEU   6          2HD2      LEU   6  -6.145  23.149  25.898
   51   3HD2  LEU   6          3HD2      LEU   6  -6.041  23.629  24.204
   52    H    ASN   7           H        ASN   7  -8.735  20.773  25.200
   53    HA   ASN   7           HA       ASN   7 -10.397  19.849  23.128
   54   1HB   ASN   7          1HB       ASN   7 -11.885  21.683  23.897
   55   2HB   ASN   7          2HB       ASN   7 -11.130  20.857  25.259
   56   2HD2  ASN   7          2HD2      ASN   7 -12.050  23.492  25.629
   57   1HD2  ASN   7          1HD2      ASN   7 -10.723  24.538  25.781
   58    H    TYR   8           H        TYR   8 -10.389  20.328  20.968
   59    HA   TYR   8           HA       TYR   8  -8.667  22.214  19.726
   60   1HB   TYR   8          1HB       TYR   8  -9.493  20.466  18.396
   61   2HB   TYR   8          2HB       TYR   8 -11.144  20.675  18.977
   62    HD1  TYR   8           HD1      TYR   8  -8.543  22.000  16.706
   63    HD2  TYR   8           HD2      TYR   8 -12.622  22.334  18.011
   64    HE1  TYR   8           HE1      TYR   8  -9.048  23.450  14.759
   65    HE2  TYR   8           HE2      TYR   8 -13.126  23.785  16.064
   66    HH   TYR   8           HH       TYR   8 -11.025  24.106  13.421
   67    H    GLU   9           H        GLU   9 -11.656  22.693  21.377
   68    HA   GLU   9           HA       GLU   9 -12.605  25.032  19.979
   69   1HB   GLU   9          1HB       GLU   9 -13.224  23.404  22.290
   70   2HB   GLU   9          2HB       GLU   9 -13.391  25.113  22.691
   71   1HG   GLU   9          1HG       GLU   9 -14.488  24.445  20.055
   72   2HG   GLU   9          2HG       GLU   9 -15.286  23.581  21.370
   73    H    THR  10           H        THR  10 -10.338  24.556  22.672
   74    HA   THR  10           HA       THR  10 -10.151  27.343  23.414
   75    HB   THR  10           HB       THR  10  -8.459  24.867  23.794
   76    HG1  THR  10           HG1      THR  10 -10.015  26.508  25.505
   77   1HG2  THR  10          1HG2      THR  10  -7.007  26.912  23.711
   78   2HG2  THR  10          2HG2      THR  10  -7.961  27.587  25.031
   79   3HG2  THR  10          3HG2      THR  10  -7.017  26.120  25.287
   80    H    LEU  11           H        LEU  11  -8.494  25.319  21.032
   81    HA   LEU  11           HA       LEU  11  -6.371  27.202  20.441
   82   1HB   LEU  11          1HB       LEU  11  -6.201  24.823  19.949
   83   2HB   LEU  11          2HB       LEU  11  -7.629  24.898  18.917
   84    HG   LEU  11           HG       LEU  11  -6.418  26.515  17.441
   85   1HD1  LEU  11          1HD1      LEU  11  -4.852  27.287  19.261
   86   2HD1  LEU  11          2HD1      LEU  11  -3.997  25.752  19.097
   87   3HD1  LEU  11          3HD1      LEU  11  -4.046  26.884  17.744
   88   1HD2  LEU  11          1HD2      LEU  11  -5.061  23.846  17.932
   89   2HD2  LEU  11          2HD2      LEU  11  -6.430  24.142  16.859
   90   3HD2  LEU  11          3HD2      LEU  11  -4.849  24.827  16.481
   91    H    ASP  12           H        ASP  12  -9.576  26.540  19.022
   92    HA   ASP  12           HA       ASP  12  -9.269  28.525  16.901
   93   1HB   ASP  12          1HB       ASP  12 -10.706  26.388  16.985
   94   2HB   ASP  12          2HB       ASP  12 -11.821  27.316  17.990
   95    H    ASP  13           H        ASP  13 -11.321  28.352  19.843
   96    HA   ASP  13           HA       ASP  13 -12.463  30.906  19.777
   97   1HB   ASP  13          1HB       ASP  13 -12.782  28.961  21.406
   98   2HB   ASP  13          2HB       ASP  13 -11.347  29.550  22.247
   99    H    GLN  14           H        GLN  14  -9.334  29.989  21.266
  100    HA   GLN  14           HA       GLN  14  -8.631  32.790  21.796
  101   1HB   GLN  14          1HB       GLN  14  -7.124  30.160  21.974
  102   2HB   GLN  14          2HB       GLN  14  -6.526  31.698  22.598
  103   1HG   GLN  14          1HG       GLN  14  -9.189  31.333  23.569
  104   2HG   GLN  14          2HG       GLN  14  -8.293  29.844  23.870
  105   2HE2  GLN  14          2HE2      GLN  14  -7.819  30.085  26.104
  106   1HE2  GLN  14          1HE2      GLN  14  -6.938  31.391  26.741
  107    H    GLY  15           H        GLY  15  -8.235  30.518  19.202
  108   1HA   GLY  15          2HA       GLY  15  -7.151  32.452  17.408
  109   2HA   GLY  15          1HA       GLY  15  -7.159  30.711  17.127
  110    H    TRP  16           H        TRP  16  -5.607  29.970  19.421
  111    HA   TRP  16           HA       TRP  16  -3.075  31.446  19.362
  112   1HB   TRP  16          1HB       TRP  16  -4.448  29.543  20.982
  113   2HB   TRP  16          2HB       TRP  16  -2.900  28.829  20.530
  114    HD1  TRP  16           HD1      TRP  16  -3.780  30.093  23.454
  115    HE1  TRP  16           HE1      TRP  16  -2.188  31.830  24.501
  116    HE3  TRP  16           HE3      TRP  16  -1.204  31.544  19.293
  117    HZ2  TRP  16           HZ2      TRP  16  -0.097  33.601  23.679
  118    HZ3  TRP  16           HZ3      TRP  16   0.581  33.255  19.453
  119    HH2  TRP  16           HH2      TRP  16   1.138  34.285  21.638
  120    H    ASP  17           H        ASP  17  -1.104  29.623  19.252
  121    HA   ASP  17           HA       ASP  17  -1.194  28.695  16.434
  122   1HB   ASP  17          1HB       ASP  17   0.954  29.072  18.534
  123   2HB   ASP  17          2HB       ASP  17   1.290  28.364  16.955
  124    H    MET  18           H        MET  18   0.044  26.515  16.093
  125    HA   MET  18           HA       MET  18  -1.372  24.454  17.608
  126   1HB   MET  18          1HB       MET  18   0.690  24.441  15.387
  127   2HB   MET  18          2HB       MET  18  -0.112  22.988  15.986
  128   1HG   MET  18          1HG       MET  18  -1.945  23.432  14.754
  129   2HG   MET  18          2HG       MET  18  -2.067  25.048  15.448
  130   1HE   MET  18          1HE       MET  18  -0.022  22.818  13.222
  131   2HE   MET  18          2HE       MET  18  -1.429  23.074  12.193
  132   3HE   MET  18          3HE       MET  18   0.144  23.690  11.691
  133    H    ASP  19           H        ASP  19   2.076  25.351  17.174
  134    HA   ASP  19           HA       ASP  19   2.639  24.007  19.787
  135   1HB   ASP  19          1HB       ASP  19   4.647  22.998  18.684
  136   2HB   ASP  19          2HB       ASP  19   3.131  22.440  17.976
  137    H    ASP  20           H        ASP  20   2.774  26.828  18.103
  138    HA   ASP  20           HA       ASP  20   5.503  27.682  18.706
  139   1HB   ASP  20          1HB       ASP  20   2.965  28.863  17.631
  140   2HB   ASP  20          2HB       ASP  20   4.246  29.954  18.157
  141    H    ASP  21           H        ASP  21   2.326  28.850  19.910
  142    HA   ASP  21           HA       ASP  21   3.575  30.078  22.257
  143   1HB   ASP  21          1HB       ASP  21   1.348  30.868  22.666
  144   2HB   ASP  21          2HB       ASP  21   1.548  30.875  20.914
  145    H    ASP  22           H        ASP  22   3.130  26.928  21.604
  146    HA   ASP  22           HA       ASP  22   2.711  24.998  22.916
  147   1HB   ASP  22          1HB       ASP  22   3.871  27.057  24.812
  148   2HB   ASP  22          2HB       ASP  22   3.639  25.370  25.273
  149    H    LEU  23           H        LEU  23   0.334  26.222  22.454
  150    HA   LEU  23           HA       LEU  23  -1.293  27.341  24.345
  151   1HB   LEU  23          1HB       LEU  23  -1.899  26.488  22.067
  152   2HB   LEU  23          2HB       LEU  23  -1.961  24.856  22.736
  153    HG   LEU  23           HG       LEU  23  -3.781  25.431  24.190
  154   1HD1  LEU  23          1HD1      LEU  23  -2.883  28.203  23.562
  155   2HD1  LEU  23          2HD1      LEU  23  -4.610  27.965  23.827
  156   3HD1  LEU  23          3HD1      LEU  23  -3.456  27.525  25.086
  157   1HD2  LEU  23          1HD2      LEU  23  -4.009  25.454  21.464
  158   2HD2  LEU  23          2HD2      LEU  23  -5.382  25.522  22.571
  159   3HD2  LEU  23          3HD2      LEU  23  -4.732  27.008  21.879
  160    H    PHE  24           H        PHE  24  -0.382  23.878  24.305
  161    HA   PHE  24           HA       PHE  24  -1.900  22.907  26.442
  162   1HB   PHE  24          1HB       PHE  24   0.940  22.392  25.526
  163   2HB   PHE  24          2HB       PHE  24   0.174  21.422  26.783
  164    HD1  PHE  24           HD1      PHE  24   0.127  22.334  23.210
  165    HD2  PHE  24           HD2      PHE  24  -1.666  19.910  26.269
  166    HE1  PHE  24           HE1      PHE  24  -1.006  20.977  21.471
  167    HE2  PHE  24           HE2      PHE  24  -2.800  18.555  24.529
  168    HZ   PHE  24           HZ       PHE  24  -2.470  19.087  22.130
  169    H    GLU  25           H        GLU  25   0.884  25.033  26.481
  170    HA   GLU  25           HA       GLU  25   1.202  24.858  29.416
  171   1HB   GLU  25          1HB       GLU  25   2.697  25.701  27.086
  172   2HB   GLU  25          2HB       GLU  25   2.702  26.981  28.299
  173   1HG   GLU  25          2HG       GLU  25   4.467  25.750  29.112
  174   2HG   GLU  25          1HG       GLU  25   3.161  24.875  29.910
  175    H    LYS  26           H        LYS  26   0.098  27.214  26.976
  176    HA   LYS  26           HA       LYS  26  -0.439  29.345  28.849
  177   1HB   LYS  26          1HB       LYS  26  -1.360  28.648  26.049
  178   2HB   LYS  26          2HB       LYS  26  -1.820  30.151  26.850
  179   1HG   LYS  26          1HG       LYS  26   1.016  29.747  27.143
  180   2HG   LYS  26          2HG       LYS  26   0.581  29.610  25.439
  181   1HD   LYS  26          1HD       LYS  26  -0.876  31.764  25.995
  182   2HD   LYS  26          2HD       LYS  26   0.310  31.951  27.286
  183   1HE   LYS  26          2HE       LYS  26   0.908  31.717  24.312
  184   2HE   LYS  26          1HE       LYS  26   1.132  33.152  25.330
  185   1HZ   LYS  26          1HZ       LYS  26   2.470  31.493  26.796
  186   2HZ   LYS  26          2HZ       LYS  26   2.605  30.600  25.357
  187   3HZ   LYS  26          3HZ       LYS  26   3.209  32.186  25.432
  188    H    ALA  27           H        ALA  27  -2.128  26.441  27.990
  189    HA   ALA  27           HA       ALA  27  -4.807  27.302  28.688
  190   1HB   ALA  27          1HB       ALA  27  -3.585  25.136  27.489
  191   2HB   ALA  27          3HB       ALA  27  -4.093  24.466  29.039
  192   3HB   ALA  27          2HB       ALA  27  -5.283  25.195  27.959
  193    H    ALA  28           H        ALA  28  -2.074  25.952  30.470
  194    HA   ALA  28           HA       ALA  28  -3.429  25.211  32.872
  195   1HB   ALA  28          1HB       ALA  28  -0.684  25.809  31.926
  196   2HB   ALA  28          3HB       ALA  28  -0.929  25.954  33.666
  197   3HB   ALA  28          2HB       ALA  28  -1.275  24.429  32.852
  198    H    ASP  29           H        ASP  29  -2.346  28.319  31.639
  199    HA   ASP  29           HA       ASP  29  -2.675  29.707  34.204
  200   1HB   ASP  29          1HB       ASP  29  -2.003  30.384  31.354
  201   2HB   ASP  29          2HB       ASP  29  -2.432  31.683  32.467
  202    H    ALA  30           H        ALA  30  -4.774  28.630  31.746
  203    HA   ALA  30           HA       ALA  30  -6.759  30.800  32.182
  204   1HB   ALA  30          1HB       ALA  30  -6.686  28.363  30.374
  205   2HB   ALA  30          3HB       ALA  30  -7.922  29.621  30.326
  206   3HB   ALA  30          2HB       ALA  30  -6.253  30.007  29.907
  207    H    GLY  31           H        GLY  31  -5.987  27.673  33.368
  208   1HA   GLY  31          2HA       GLY  31  -8.114  27.629  35.259
  209   2HA   GLY  31          1HA       GLY  31  -7.123  26.234  34.832
  210    H    LEU  32           H        LEU  32  -7.842  26.280  32.007
  211    HA   LEU  32           HA       LEU  32 -10.575  26.283  31.396
  212   1HB   LEU  32          1HB       LEU  32  -8.134  24.820  30.497
  213   2HB   LEU  32          2HB       LEU  32  -9.689  24.220  29.918
  214    HG   LEU  32           HG       LEU  32  -9.094  27.162  29.786
  215   1HD1  LEU  32          1HD1      LEU  32  -7.871  24.979  28.162
  216   2HD1  LEU  32          2HD1      LEU  32  -8.426  26.412  27.297
  217   3HD1  LEU  32          3HD1      LEU  32  -7.224  26.565  28.579
  218   1HD2  LEU  32          1HD2      LEU  32 -11.309  25.722  29.208
  219   2HD2  LEU  32          2HD2      LEU  32 -10.886  27.206  28.356
  220   3HD2  LEU  32          3HD2      LEU  32 -10.490  25.639  27.649
  221    H    ASP  33           H        ASP  33 -11.949  24.240  31.042
  222    HA   ASP  33           HA       ASP  33 -12.304  22.861  33.570
  223   1HB   ASP  33          1HB       ASP  33 -13.573  23.083  30.907
  224   2HB   ASP  33          2HB       ASP  33 -13.845  21.546  31.727
  225    H    GLY  34           H        GLY  34 -12.359  20.420  33.681
  226   1HA   GLY  34          2HA       GLY  34 -11.032  18.466  33.654
  227   2HA   GLY  34          1HA       GLY  34  -9.862  19.323  32.652
  228    H    GLU  35           H        GLU  35 -13.186  19.323  31.649
  229    HA   GLU  35           HA       GLU  35 -12.986  16.939  29.963
  230   1HB   GLU  35          1HB       GLU  35 -15.007  18.262  31.122
  231   2HB   GLU  35          2HB       GLU  35 -15.036  19.075  29.558
  232   1HG   GLU  35          1HG       GLU  35 -14.722  16.248  29.139
  233   2HG   GLU  35          2HG       GLU  35 -16.101  16.521  30.204
  234    H    ASP  36           H        ASP  36 -11.404  19.761  29.665
  235    HA   ASP  36           HA       ASP  36 -11.596  19.725  26.671
  236   1HB   ASP  36          1HB       ASP  36 -11.883  21.916  28.675
  237   2HB   ASP  36          2HB       ASP  36 -11.013  22.307  27.192
  238    H    TYR  37           H        TYR  37  -9.628  20.733  29.486
  239    HA   TYR  37           HA       TYR  37  -7.188  20.021  27.897
  240   1HB   TYR  37          1HB       TYR  37  -7.342  22.405  27.862
  241   2HB   TYR  37          2HB       TYR  37  -7.823  22.470  29.557
  242    HD1  TYR  37           HD1      TYR  37  -5.037  20.884  27.590
  243    HD2  TYR  37           HD2      TYR  37  -6.166  23.268  30.980
  244    HE1  TYR  37           HE1      TYR  37  -2.656  21.059  28.260
  245    HE2  TYR  37           HE2      TYR  37  -3.784  23.442  31.650
  246    HH   TYR  37           HH       TYR  37  -1.232  21.770  29.810
  247    H    GLY  38           H        GLY  38  -5.745  18.761  29.041
  248   1HA   GLY  38          2HA       GLY  38  -6.495  17.665  31.593
  249   2HA   GLY  38          1HA       GLY  38  -5.207  18.852  31.801
  250    H    THR  39           H        THR  39  -4.008  16.833  32.530
  251    HA   THR  39           HA       THR  39  -2.477  15.759  30.236
  252    HB   THR  39           HB       THR  39  -2.192  15.621  33.252
  253    HG1  THR  39           HG1      THR  39  -0.885  17.057  31.191
  254   1HG2  THR  39          1HG2      THR  39  -1.046  13.943  31.258
  255   2HG2  THR  39          2HG2      THR  39   0.225  15.014  31.847
  256   3HG2  THR  39          3HG2      THR  39  -0.666  13.997  32.980
  257    H    MET  40           H        MET  40  -3.250  13.893  29.310
  258    HA   MET  40           HA       MET  40  -4.984  12.060  30.823
  259   1HB   MET  40          1HB       MET  40  -4.945  12.856  28.277
  260   2HB   MET  40          2HB       MET  40  -3.875  11.465  28.110
  261   1HG   MET  40          1HG       MET  40  -5.759  10.222  27.954
  262   2HG   MET  40          2HG       MET  40  -5.939  10.491  29.688
  263   1HE   MET  40          1HE       MET  40  -8.371  10.362  29.932
  264   2HE   MET  40          2HE       MET  40  -7.709  11.754  30.784
  265   3HE   MET  40          3HE       MET  40  -9.245  11.892  29.917
  266    H    GLU  41           H        GLU  41  -3.657  11.021  32.385
  267    HA   GLU  41           HA       GLU  41  -1.150   9.711  31.478
  268   1HB   GLU  41          1HB       GLU  41  -1.239  11.016  33.579
  269   2HB   GLU  41          2HB       GLU  41  -2.511   9.953  34.183
  270   1HG   GLU  41          1HG       GLU  41  -0.867   8.024  33.812
  271   2HG   GLU  41          2HG       GLU  41   0.374   9.258  33.598
  272    H    VAL  42           H        VAL  42  -1.622   7.789  30.408
  273    HA   VAL  42           HA       VAL  42  -3.570   5.931  31.741
  274    HB   VAL  42           HB       VAL  42  -4.094   5.149  29.511
  275   1HG1  VAL  42          1HG1      VAL  42  -4.743   7.607  30.399
  276   2HG1  VAL  42          2HG1      VAL  42  -3.863   8.064  28.940
  277   3HG1  VAL  42          3HG1      VAL  42  -5.269   7.003  28.828
  278   1HG2  VAL  42          1HG2      VAL  42  -1.484   6.348  28.933
  279   2HG2  VAL  42          2HG2      VAL  42  -2.348   5.073  28.072
  280   3HG2  VAL  42          3HG2      VAL  42  -2.708   6.767  27.734
  281    H    ALA  43           H        ALA  43  -2.977   3.663  31.721
  282    HA   ALA  43           HA       ALA  43  -0.183   3.136  32.192
  283   1HB   ALA  43          1HB       ALA  43  -2.682   1.947  32.636
  284   2HB   ALA  43          3HB       ALA  43  -1.118   1.293  33.119
  285   3HB   ALA  43          2HB       ALA  43  -1.837   0.814  31.581
  286    H    GLU  44           H        GLU  44   1.372   2.363  30.781
  287    HA   GLU  44           HA       GLU  44   1.160   2.614  27.983
  288   1HB   GLU  44          1HB       GLU  44   3.083   2.005  29.861
  289   2HB   GLU  44          2HB       GLU  44   2.956   0.491  28.967
  290   1HG   GLU  44          1HG       GLU  44   2.931   2.741  27.144
  291   2HG   GLU  44          2HG       GLU  44   4.354   2.812  28.183
  292    H    GLY  45           H        GLY  45  -0.238   1.503  26.684
  293   1HA   GLY  45          2HA       GLY  45  -0.568  -1.427  27.186
  294   2HA   GLY  45          1HA       GLY  45  -0.614  -0.698  25.579
  295    H    GLU  46           H        GLU  46  -2.136   1.562  27.265
  296    HA   GLU  46           HA       GLU  46  -4.808   0.195  27.158
  297   1HB   GLU  46          1HB       GLU  46  -3.612   2.377  28.871
  298   2HB   GLU  46          2HB       GLU  46  -5.358   2.151  28.770
  299   1HG   GLU  46          1HG       GLU  46  -4.756  -0.371  29.259
  300   2HG   GLU  46          2HG       GLU  46  -3.273   0.321  29.916
  301    H    TYR  47           H        TYR  47  -6.521   1.339  26.126
  302    HA   TYR  47           HA       TYR  47  -5.704   3.194  24.017
  303   1HB   TYR  47          2HB       TYR  47  -8.485   2.379  24.908
  304   2HB   TYR  47          1HB       TYR  47  -7.986   2.908  23.301
  305    HD1  TYR  47           HD1      TYR  47  -5.259   1.293  23.554
  306    HD2  TYR  47           HD2      TYR  47  -9.409   0.273  23.989
  307    HE1  TYR  47           HE1      TYR  47  -4.745  -1.056  22.943
  308    HE2  TYR  47           HE2      TYR  47  -8.896  -2.075  23.379
  309    HH   TYR  47           HH       TYR  47  -7.309  -3.536  22.874
  310    H    ILE  48           H        ILE  48  -5.638   5.390  24.260
  311    HA   ILE  48           HA       ILE  48  -6.077   6.841  26.598
  312    HB   ILE  48           HB       ILE  48  -6.443   7.606  23.687
  313   1HG1  ILE  48          1HG1      ILE  48  -4.119   8.195  25.526
  314   2HG1  ILE  48          2HG1      ILE  48  -4.206   6.702  24.592
  315   1HG2  ILE  48          1HG2      ILE  48  -7.287   9.096  25.857
  316   2HG2  ILE  48          2HG2      ILE  48  -5.652   9.700  25.587
  317   3HG2  ILE  48          3HG2      ILE  48  -6.839   9.757  24.285
  318   1HD1  ILE  48          1HD1      ILE  48  -4.831   8.653  22.721
  319   2HD1  ILE  48          2HD1      ILE  48  -3.583   9.423  23.702
  320   3HD1  ILE  48          3HD1      ILE  48  -3.257   7.882  22.908
  321    H    LEU  49           H        LEU  49  -8.442   6.585  23.902
  322    HA   LEU  49           HA       LEU  49 -10.597   7.956  24.991
  323   1HB   LEU  49          1HB       LEU  49 -10.714   7.054  22.788
  324   2HB   LEU  49          2HB       LEU  49 -10.405   5.414  23.363
  325    HG   LEU  49           HG       LEU  49 -12.711   6.450  24.724
  326   1HD1  LEU  49          1HD1      LEU  49 -12.534   6.999  21.788
  327   2HD1  LEU  49          2HD1      LEU  49 -14.069   6.413  22.429
  328   3HD1  LEU  49          3HD1      LEU  49 -13.368   7.907  23.050
  329   1HD2  LEU  49          1HD2      LEU  49 -12.153   4.069  24.319
  330   2HD2  LEU  49          2HD2      LEU  49 -13.762   4.467  23.716
  331   3HD2  LEU  49          3HD2      LEU  49 -12.412   4.311  22.592
  332    H    GLU  50           H        GLU  50  -9.510   4.673  25.807
  333    HA   GLU  50           HA       GLU  50 -11.782   4.013  27.475
  334   1HB   GLU  50          1HB       GLU  50  -9.335   2.865  26.517
  335   2HB   GLU  50          2HB       GLU  50  -9.407   2.634  28.264
  336   1HG   GLU  50          1HG       GLU  50 -11.898   2.107  26.705
  337   2HG   GLU  50          2HG       GLU  50 -10.591   0.932  26.567
  338    H    ALA  51           H        ALA  51  -8.450   5.102  28.247
  339    HA   ALA  51           HA       ALA  51  -8.662   5.216  31.050
  340   1HB   ALA  51          1HB       ALA  51  -7.246   7.456  29.752
  341   2HB   ALA  51          2HB       ALA  51  -6.832   5.867  29.108
  342   3HB   ALA  51          3HB       ALA  51  -6.618   6.206  30.826
  343    H    ALA  52           H        ALA  52  -9.549   7.683  28.655
  344    HA   ALA  52           HA       ALA  52 -10.522   9.554  30.683
  345   1HB   ALA  52          1HB       ALA  52  -9.600   9.717  28.115
  346   2HB   ALA  52          3HB       ALA  52 -10.533  10.992  28.900
  347   3HB   ALA  52          2HB       ALA  52 -11.341   9.826  27.851
  348    H    GLU  53           H        GLU  53 -11.905   7.126  28.538
  349    HA   GLU  53           HA       GLU  53 -14.640   7.803  28.630
  350   1HB   GLU  53          1HB       GLU  53 -13.898   6.063  27.196
  351   2HB   GLU  53          2HB       GLU  53 -13.092   5.213  28.514
  352   1HG   GLU  53          1HG       GLU  53 -15.999   5.635  28.882
  353   2HG   GLU  53          2HG       GLU  53 -15.560   4.543  27.568
  354    H    ALA  54           H        ALA  54 -12.625   6.197  31.039
  355    HA   ALA  54           HA       ALA  54 -14.838   5.429  32.772
  356   1HB   ALA  54          1HB       ALA  54 -11.876   5.759  33.343
  357   2HB   ALA  54          3HB       ALA  54 -13.018   4.778  34.262
  358   3HB   ALA  54          2HB       ALA  54 -12.592   4.323  32.613
  359    H    GLN  55           H        GLN  55 -13.299   8.395  32.118
  360    HA   GLN  55           HA       GLN  55 -13.904   9.487  34.832
  361   1HB   GLN  55          1HB       GLN  55 -12.243  10.368  32.464
  362   2HB   GLN  55          2HB       GLN  55 -12.574  11.445  33.821
  363   1HG   GLN  55          1HG       GLN  55 -11.785   9.057  35.030
  364   2HG   GLN  55          2HG       GLN  55 -10.702   9.213  33.646
  365   2HE2  GLN  55          2HE2      GLN  55  -8.796  10.070  34.541
  366   1HE2  GLN  55          1HE2      GLN  55  -8.735  11.462  35.511
  367    H    GLY  56           H        GLY  56 -14.848   9.676  31.450
  368   1HA   GLY  56          2HA       GLY  56 -16.898  11.720  32.210
  369   2HA   GLY  56          1HA       GLY  56 -17.238  10.391  31.101
  370    H    TYR  57           H        TYR  57 -14.543  10.658  29.834
  371    HA   TYR  57           HA       TYR  57 -14.566  13.351  28.624
  372   1HB   TYR  57          1HB       TYR  57 -12.863  10.864  28.474
  373   2HB   TYR  57          2HB       TYR  57 -12.618  12.193  27.342
  374    HD1  TYR  57           HD1      TYR  57 -12.127  14.507  28.237
  375    HD2  TYR  57           HD2      TYR  57 -12.091  11.006  30.721
  376    HE1  TYR  57           HE1      TYR  57 -10.828  15.737  29.951
  377    HE2  TYR  57           HE2      TYR  57 -10.791  12.235  32.438
  378    HH   TYR  57           HH       TYR  57 -10.069  15.690  32.067
  379    H    ASP  58           H        ASP  58 -15.440  13.802  26.618
  380    HA   ASP  58           HA       ASP  58 -16.803  11.579  25.177
  381   1HB   ASP  58          1HB       ASP  58 -17.995  13.667  25.910
  382   2HB   ASP  58          2HB       ASP  58 -16.953  14.590  24.827
  383    H    TRP  59           H        TRP  59 -16.424  11.254  22.913
  384    HA   TRP  59           HA       TRP  59 -14.180  12.782  21.676
  385   1HB   TRP  59          2HB       TRP  59 -14.376   9.761  21.911
  386   2HB   TRP  59          1HB       TRP  59 -13.092  10.646  21.085
  387    HD1  TRP  59           HD1      TRP  59 -14.560  10.101  24.594
  388    HE1  TRP  59           HE1      TRP  59 -12.732  10.629  26.333
  389    HE3  TRP  59           HE3      TRP  59 -10.884  11.849  21.511
  390    HZ2  TRP  59           HZ2      TRP  59 -10.064  11.654  26.409
  391    HZ3  TRP  59           HZ3      TRP  59  -8.711  12.594  22.441
  392    HH2  TRP  59           HH2      TRP  59  -8.296  12.498  24.884
  393    HA   PRO  60           HA       PRO  60 -16.637  12.421  18.057
  394   1HB   PRO  60          1HB       PRO  60 -14.709  12.387  16.113
  395   2HB   PRO  60          2HB       PRO  60 -15.135  13.845  17.027
  396   1HG   PRO  60          2HG       PRO  60 -12.836  11.982  17.383
  397   2HG   PRO  60          1HG       PRO  60 -12.890  13.744  17.526
  398   1HD   PRO  60          1HD       PRO  60 -12.894  12.042  19.666
  399   2HD   PRO  60          2HD       PRO  60 -13.610  13.668  19.697
  400    H    PHE  61           H        PHE  61 -17.102  10.092  18.876
  401    HA   PHE  61           HA       PHE  61 -15.663   7.838  17.823
  402   1HB   PHE  61          1HB       PHE  61 -17.214   7.860  19.773
  403   2HB   PHE  61          2HB       PHE  61 -18.561   8.144  18.673
  404    HD1  PHE  61           HD1      PHE  61 -15.684   5.987  17.811
  405    HD2  PHE  61           HD2      PHE  61 -19.748   6.095  19.202
  406    HE1  PHE  61           HE1      PHE  61 -15.883   3.548  17.423
  407    HE2  PHE  61           HE2      PHE  61 -19.944   3.654  18.813
  408    HZ   PHE  61           HZ       PHE  61 -18.012   2.381  17.924
  409    H    SER  62           H        SER  62 -15.397   7.834  15.570
  410    HA   SER  62           HA       SER  62 -17.908   7.656  13.958
  411   1HB   SER  62          1HB       SER  62 -17.164   9.926  13.716
  412   2HB   SER  62          2HB       SER  62 -15.485   9.421  13.527
  413    HG   SER  62           HG       SER  62 -17.614   8.819  11.752
  414    H    CYS  63           H        CYS  63 -15.862   5.662  14.934
  415    HA   CYS  63           HA       CYS  63 -14.201   4.899  12.682
  416   1HB   CYS  63          1HB       CYS  63 -14.629   4.205  15.403
  417   2HB   CYS  63          2HB       CYS  63 -14.858   2.729  14.465
  418    H    ARG  64           H        ARG  64 -14.674   2.227  12.257
  419    HA   ARG  64           HA       ARG  64 -17.499   1.701  11.682
  420   1HB   ARG  64          1HB       ARG  64 -16.639   3.380   9.957
  421   2HB   ARG  64          2HB       ARG  64 -15.586   2.094   9.367
  422   1HG   ARG  64          2HG       ARG  64 -17.344   1.519   8.051
  423   2HG   ARG  64          1HG       ARG  64 -18.026   0.821   9.521
  424   1HD   ARG  64          1HD       ARG  64 -19.665   2.340   8.466
  425   2HD   ARG  64          2HD       ARG  64 -19.118   3.030  10.008
  426    HE   ARG  64           HE       ARG  64 -17.649   3.785   7.528
  427   1HH1  ARG  64          1HH1      ARG  64 -20.531   4.719   8.845
  428   2HH1  ARG  64          2HH1      ARG  64 -20.071   6.350   9.202
  429   1HH2  ARG  64          1HH2      ARG  64 -16.708   5.826   8.542
  430   2HH2  ARG  64          2HH2      ARG  64 -17.906   6.977   9.031
  431    H    ALA  65           H        ALA  65 -15.408   0.282  13.098
  432    HA   ALA  65           HA       ALA  65 -14.328  -1.833  13.152
  433   1HB   ALA  65          1HB       ALA  65 -17.057  -1.927  12.327
  434   2HB   ALA  65          3HB       ALA  65 -16.143  -3.175  13.176
  435   3HB   ALA  65          2HB       ALA  65 -16.189  -3.161  11.413
  436    H    GLY  66           H        GLY  66 -12.434  -1.302  11.878
  437   1HA   GLY  66          2HA       GLY  66 -12.609  -2.143   9.011
  438   2HA   GLY  66          1HA       GLY  66 -11.268  -2.639  10.044
  439    H    ALA  67           H        ALA  67 -12.532  -0.108   8.067
  440    HA   ALA  67           HA       ALA  67  -9.988   1.375   8.316
  441   1HB   ALA  67          1HB       ALA  67 -11.164   0.763   6.152
  442   2HB   ALA  67          3HB       ALA  67 -12.428   1.912   6.595
  443   3HB   ALA  67          2HB       ALA  67 -10.781   2.478   6.313
  444    H    CYS  68           H        CYS  68 -10.187   3.847   8.438
  445    HA   CYS  68           HA       CYS  68 -12.573   4.870   9.850
  446   1HB   CYS  68          1HB       CYS  68 -11.347   3.838  11.655
  447   2HB   CYS  68          2HB       CYS  68  -9.830   4.547  11.100
  448    H    ALA  69           H        ALA  69  -9.235   6.068  10.028
  449    HA   ALA  69           HA       ALA  69  -8.366   8.168   9.351
  450   1HB   ALA  69          1HB       ALA  69  -9.031   6.535   7.242
  451   2HB   ALA  69          3HB       ALA  69  -9.876   8.024   6.820
  452   3HB   ALA  69          2HB       ALA  69  -8.133   8.044   7.085
  453    H    ASN  70           H        ASN  70 -11.153   8.101  10.619
  454    HA   ASN  70           HA       ASN  70 -12.074  10.763   9.587
  455   1HB   ASN  70          1HB       ASN  70 -13.393   8.185   9.818
  456   2HB   ASN  70          2HB       ASN  70 -14.246   9.408  10.761
  457   2HD2  ASN  70          2HD2      ASN  70 -13.604   8.277   7.541
  458   1HD2  ASN  70          1HD2      ASN  70 -14.420   9.515   6.717
  459    H    CYS  71           H        CYS  71 -10.671   9.209  12.154
  460    HA   CYS  71           HA       CYS  71 -12.121  10.022  14.454
  461   1HB   CYS  71          1HB       CYS  71  -9.877   8.624  13.944
  462   2HB   CYS  71          2HB       CYS  71  -9.140  10.147  14.444
  463    H    ALA  72           H        ALA  72 -10.302  11.673  15.890
  464    HA   ALA  72           HA       ALA  72  -9.874  14.156  14.374
  465   1HB   ALA  72          1HB       ALA  72 -12.355  13.549  15.731
  466   2HB   ALA  72          3HB       ALA  72 -11.588  14.950  16.477
  467   3HB   ALA  72          2HB       ALA  72 -11.950  14.958  14.750
  468    H    SER  73           H        SER  73  -7.716  13.777  15.286
  469    HA   SER  73           HA       SER  73  -7.458  14.892  18.028
  470   1HB   SER  73          1HB       SER  73  -6.706  12.139  17.085
  471   2HB   SER  73          2HB       SER  73  -5.717  12.917  18.320
  472    HG   SER  73           HG       SER  73  -7.925  11.635  18.712
  473    H    ILE  74           H        ILE  74  -6.145  16.638  17.556
  474    HA   ILE  74           HA       ILE  74  -4.139  16.451  15.398
  475    HB   ILE  74           HB       ILE  74  -4.756  18.717  17.315
  476   1HG1  ILE  74          1HG1      ILE  74  -6.825  17.890  16.217
  477   2HG1  ILE  74          2HG1      ILE  74  -6.373  19.493  15.635
  478   1HG2  ILE  74          1HG2      ILE  74  -3.598  18.607  14.512
  479   2HG2  ILE  74          2HG2      ILE  74  -3.971  20.091  15.390
  480   3HG2  ILE  74          3HG2      ILE  74  -2.717  19.003  15.988
  481   1HD1  ILE  74          1HD1      ILE  74  -5.673  16.894  14.237
  482   2HD1  ILE  74          2HD1      ILE  74  -7.011  17.948  13.781
  483   3HD1  ILE  74          3HD1      ILE  74  -5.349  18.522  13.642
  484    H    VAL  75           H        VAL  75  -2.813  14.791  16.592
  485    HA   VAL  75           HA       VAL  75  -1.590  15.091  19.094
  486    HB   VAL  75           HB       VAL  75  -1.424  13.148  17.553
  487   1HG1  VAL  75          1HG1      VAL  75  -0.714  15.050  15.682
  488   2HG1  VAL  75          2HG1      VAL  75   0.827  14.268  16.035
  489   3HG1  VAL  75          3HG1      VAL  75  -0.541  13.307  15.472
  490   1HG2  VAL  75          1HG2      VAL  75   0.976  14.436  18.777
  491   2HG2  VAL  75          2HG2      VAL  75   0.202  12.901  19.173
  492   3HG2  VAL  75          3HG2      VAL  75   1.240  13.026  17.752
  493    H    LYS  76           H        LYS  76  -0.646  17.002  19.798
  494    HA   LYS  76           HA       LYS  76   0.732  18.788  17.912
  495   1HB   LYS  76          1HB       LYS  76  -0.700  19.103  20.207
  496   2HB   LYS  76          2HB       LYS  76   0.943  19.183  20.843
  497   1HG   LYS  76          2HG       LYS  76   0.399  21.426  20.262
  498   2HG   LYS  76          1HG       LYS  76   1.421  20.848  18.946
  499   1HD   LYS  76          2HD       LYS  76  -0.303  21.714  17.688
  500   2HD   LYS  76          1HD       LYS  76  -0.960  20.100  17.962
  501   1HE   LYS  76          1HE       LYS  76  -2.216  20.951  19.927
  502   2HE   LYS  76          2HE       LYS  76  -1.574  22.576  19.621
  503   1HZ   LYS  76          1HZ       LYS  76  -2.478  22.405  17.344
  504   2HZ   LYS  76          2HZ       LYS  76  -3.196  20.921  17.753
  505   3HZ   LYS  76          3HZ       LYS  76  -3.695  22.348  18.526
  506    H    GLU  77           H        GLU  77   1.629  16.066  19.757
  507    HA   GLU  77           HA       GLU  77   4.392  16.210  19.003
  508   1HB   GLU  77          1HB       GLU  77   3.648  17.915  21.100
  509   2HB   GLU  77          2HB       GLU  77   4.425  16.547  21.897
  510   1HG   GLU  77          1HG       GLU  77   5.970  17.175  19.587
  511   2HG   GLU  77          2HG       GLU  77   5.654  18.689  20.434
  512    H    GLY  78           H        GLY  78   5.689  14.485  20.207
  513   1HA   GLY  78          2HA       GLY  78   4.201  12.556  21.818
  514   2HA   GLY  78          1HA       GLY  78   5.869  12.379  21.269
  515    H    GLU  79           H        GLU  79   4.214  10.180  21.101
  516    HA   GLU  79           HA       GLU  79   3.116  10.043  18.353
  517   1HB   GLU  79          1HB       GLU  79   5.413   9.654  17.891
  518   2HB   GLU  79          2HB       GLU  79   5.623   8.680  19.345
  519   1HG   GLU  79          1HG       GLU  79   4.411   6.854  18.426
  520   2HG   GLU  79          2HG       GLU  79   3.738   7.849  17.134
  521    H    ILE  80           H        ILE  80   1.476   8.527  18.267
  522    HA   ILE  80           HA       ILE  80   0.972   6.912  20.722
  523    HB   ILE  80           HB       ILE  80  -0.795   7.422  18.311
  524   1HG1  ILE  80          1HG1      ILE  80  -0.748   8.994  20.899
  525   2HG1  ILE  80          2HG1      ILE  80   0.063   9.534  19.429
  526   1HG2  ILE  80          1HG2      ILE  80  -1.169   6.327  21.081
  527   2HG2  ILE  80          2HG2      ILE  80  -2.507   7.170  20.302
  528   3HG2  ILE  80          3HG2      ILE  80  -1.815   5.732  19.551
  529   1HD1  ILE  80          1HD1      ILE  80  -2.837   8.737  19.341
  530   2HD1  ILE  80          2HD1      ILE  80  -2.381  10.348  19.898
  531   3HD1  ILE  80          3HD1      ILE  80  -1.953   9.824  18.270
  532    H    ASP  81           H        ASP  81  -0.157   4.701  20.126
  533    HA   ASP  81           HA       ASP  81   1.397   3.411  17.904
  534   1HB   ASP  81          1HB       ASP  81   1.856   3.014  20.491
  535   2HB   ASP  81          2HB       ASP  81   0.471   1.935  20.343
  536    H    MET  82           H        MET  82   0.292   1.570  16.891
  537    HA   MET  82           HA       MET  82  -2.593   1.215  17.470
  538   1HB   MET  82          1HB       MET  82  -1.550   3.000  15.494
  539   2HB   MET  82          2HB       MET  82  -2.308   1.649  14.652
  540   1HG   MET  82          1HG       MET  82  -3.825   2.708  16.964
  541   2HG   MET  82          2HG       MET  82  -3.686   3.803  15.589
  542   1HE   MET  82          1HE       MET  82  -5.505   1.526  17.322
  543   2HE   MET  82          2HE       MET  82  -6.691   2.509  16.468
  544   3HE   MET  82          3HE       MET  82  -6.669   0.755  16.248
  545    H    ASP  83           H        ASP  83  -3.219  -0.878  16.959
  546    HA   ASP  83           HA       ASP  83  -1.326  -2.902  16.346
  547   1HB   ASP  83          1HB       ASP  83  -3.957  -2.704  17.138
  548   2HB   ASP  83          2HB       ASP  83  -4.115  -3.383  15.518
  549    H    MET  84           H        MET  84  -1.344  -4.293  14.343
  550    HA   MET  84           HA       MET  84  -0.696  -2.935  11.987
  551   1HB   MET  84          1HB       MET  84  -1.310  -5.199  10.930
  552   2HB   MET  84          2HB       MET  84  -0.159  -5.247  12.266
  553   1HG   MET  84          1HG       MET  84  -1.588  -6.406  13.588
  554   2HG   MET  84          2HG       MET  84  -2.952  -5.374  13.154
  555   1HE   MET  84          1HE       MET  84  -1.474  -8.603  13.171
  556   2HE   MET  84          2HE       MET  84  -3.183  -8.594  13.599
  557   3HE   MET  84          3HE       MET  84  -2.628  -9.568  12.238
  558    H    GLN  85           H        GLN  85  -1.956  -1.628  10.729
  559    HA   GLN  85           HA       GLN  85  -4.547  -2.468   9.733
  560   1HB   GLN  85          1HB       GLN  85  -5.826  -0.684  10.945
  561   2HB   GLN  85          2HB       GLN  85  -5.166  -1.906  12.031
  562   1HG   GLN  85          2HG       GLN  85  -4.206  -0.209  13.171
  563   2HG   GLN  85          1HG       GLN  85  -3.116  -0.026  11.798
  564   2HE2  GLN  85          2HE2      GLN  85  -3.025   2.308  11.900
  565   1HE2  GLN  85          1HE2      GLN  85  -4.372   3.281  11.553
  566    H    GLN  86           H        GLN  86  -5.563   0.214   9.329
  567    HA   GLN  86           HA       GLN  86  -3.693   1.091   7.205
  568   1HB   GLN  86          1HB       GLN  86  -6.539   1.772   7.996
  569   2HB   GLN  86          2HB       GLN  86  -5.711   2.521   6.630
  570   1HG   GLN  86          2HG       GLN  86  -6.217  -0.448   6.997
  571   2HG   GLN  86          1HG       GLN  86  -7.049   0.611   5.859
  572   2HE2  GLN  86          2HE2      GLN  86  -5.855   1.339   3.962
  573   1HE2  GLN  86          1HE2      GLN  86  -4.374   0.636   3.518
  574    H    ILE  87           H        ILE  87  -2.049   2.223   8.358
  575    HA   ILE  87           HA       ILE  87  -2.642   4.200  10.402
  576    HB   ILE  87           HB       ILE  87  -0.225   4.629  10.202
  577   1HG1  ILE  87          1HG1      ILE  87   0.171   2.647   8.052
  578   2HG1  ILE  87          2HG1      ILE  87  -0.600   4.144   7.529
  579   1HG2  ILE  87          1HG2      ILE  87  -1.216   1.787  10.103
  580   2HG2  ILE  87          2HG2      ILE  87   0.509   2.120  10.252
  581   3HG2  ILE  87          3HG2      ILE  87  -0.610   2.701  11.485
  582   1HD1  ILE  87          1HD1      ILE  87   1.360   5.153   9.111
  583   2HD1  ILE  87          2HD1      ILE  87   2.153   3.685   8.537
  584   3HD1  ILE  87          3HD1      ILE  87   1.563   4.877   7.380
  585    H    LEU  88           H        LEU  88  -1.888   6.542  10.066
  586    HA   LEU  88           HA       LEU  88  -3.199   7.630   7.667
  587   1HB   LEU  88          1HB       LEU  88  -1.947   8.719  10.191
  588   2HB   LEU  88          2HB       LEU  88  -2.501   9.793   8.907
  589    HG   LEU  88           HG       LEU  88  -4.294   7.647  10.047
  590   1HD1  LEU  88          1HD1      LEU  88  -3.437   9.175  11.866
  591   2HD1  LEU  88          2HD1      LEU  88  -4.147  10.526  10.981
  592   3HD1  LEU  88          3HD1      LEU  88  -5.182   9.250  11.621
  593   1HD2  LEU  88          1HD2      LEU  88  -4.475   9.611   7.977
  594   2HD2  LEU  88          2HD2      LEU  88  -5.716   8.478   8.512
  595   3HD2  LEU  88          3HD2      LEU  88  -5.595  10.069   9.260
  596    H    SER  89           H        SER  89  -1.788   9.826   6.984
  597    HA   SER  89           HA       SER  89   0.820   8.718   6.009
  598   1HB   SER  89          2HB       SER  89  -0.792  11.024   4.890
  599   2HB   SER  89          1HB       SER  89   0.458  10.085   4.074
  600    HG   SER  89           HG       SER  89  -2.199   9.546   4.427
  601    H    ASP  90           H        ASP  90   2.696   9.969   6.289
  602    HA   ASP  90           HA       ASP  90   3.051  11.614   8.500
  603   1HB   ASP  90          1HB       ASP  90   4.398  11.203   5.873
  604   2HB   ASP  90          2HB       ASP  90   4.932  12.577   6.841
  605    H    GLU  91           H        GLU  91   2.355  12.697   5.172
  606    HA   GLU  91           HA       GLU  91   2.377  15.484   5.588
  607   1HB   GLU  91          1HB       GLU  91   0.804  15.473   3.628
  608   2HB   GLU  91          2HB       GLU  91   2.190  14.407   3.401
  609   1HG   GLU  91          1HG       GLU  91   0.858  12.467   4.032
  610   2HG   GLU  91          2HG       GLU  91  -0.519  13.500   4.418
  611    H    GLU  92           H        GLU  92  -0.030  13.084   6.473
  612    HA   GLU  92           HA       GLU  92  -2.109  15.047   7.112
  613   1HB   GLU  92          1HB       GLU  92  -1.697  12.089   7.639
  614   2HB   GLU  92          2HB       GLU  92  -3.166  12.956   8.088
  615   1HG   GLU  92          1HG       GLU  92  -2.903  13.748   5.499
  616   2HG   GLU  92          2HG       GLU  92  -2.198  12.134   5.410
  617    H    VAL  93           H        VAL  93   0.318  13.157   8.902
  618    HA   VAL  93           HA       VAL  93  -0.580  14.139  11.509
  619    HB   VAL  93           HB       VAL  93   0.603  11.916  10.791
  620   1HG1  VAL  93          1HG1      VAL  93   2.584  13.665  10.010
  621   2HG1  VAL  93          2HG1      VAL  93   3.160  13.131  11.587
  622   3HG1  VAL  93          3HG1      VAL  93   2.823  11.946  10.325
  623   1HG2  VAL  93          1HG2      VAL  93   1.038  13.583  13.236
  624   2HG2  VAL  93          2HG2      VAL  93   0.184  12.049  13.063
  625   3HG2  VAL  93          3HG2      VAL  93   1.948  12.081  13.077
  626    H    GLU  94           H        GLU  94   1.531  15.260   9.004
  627    HA   GLU  94           HA       GLU  94   3.069  17.030  10.817
  628   1HB   GLU  94          1HB       GLU  94   3.129  16.132   7.966
  629   2HB   GLU  94          2HB       GLU  94   3.886  17.678   8.347
  630   1HG   GLU  94          1HG       GLU  94   4.480  15.091   9.814
  631   2HG   GLU  94          2HG       GLU  94   5.462  15.725   8.493
  632    H    GLU  95           H        GLU  95   0.748  17.307   8.110
  633    HA   GLU  95           HA       GLU  95   0.521  20.231   8.568
  634   1HB   GLU  95          1HB       GLU  95   0.731  19.164   6.299
  635   2HB   GLU  95          2HB       GLU  95  -0.837  18.402   6.564
  636   1HG   GLU  95          1HG       GLU  95  -1.945  20.309   6.073
  637   2HG   GLU  95          2HG       GLU  95  -0.906  21.263   7.133
  638    H    LYS  96           H        LYS  96  -1.164  17.270   9.290
  639    HA   LYS  96           HA       LYS  96  -3.522  18.864  10.246
  640   1HB   LYS  96          1HB       LYS  96  -3.320  16.742   8.419
  641   2HB   LYS  96          2HB       LYS  96  -3.954  16.009   9.893
  642   1HG   LYS  96          1HG       LYS  96  -5.779  17.590   9.976
  643   2HG   LYS  96          2HG       LYS  96  -5.087  18.533   8.655
  644   1HD   LYS  96          1HD       LYS  96  -5.965  17.157   7.089
  645   2HD   LYS  96          2HD       LYS  96  -5.440  15.713   7.955
  646   1HE   LYS  96          1HE       LYS  96  -7.481  16.712   9.565
  647   2HE   LYS  96          2HE       LYS  96  -8.077  16.985   7.917
  648   1HZ   LYS  96          1HZ       LYS  96  -6.733  14.453   8.612
  649   2HZ   LYS  96          2HZ       LYS  96  -8.375  14.660   8.995
  650   3HZ   LYS  96          3HZ       LYS  96  -7.861  14.760   7.379
  651    H    ASP  97           H        ASP  97  -0.935  16.766  11.139
  652    HA   ASP  97           HA       ASP  97  -0.401  15.706  13.192
  653   1HB   ASP  97          1HB       ASP  97  -1.612  18.327  13.598
  654   2HB   ASP  97          2HB       ASP  97  -1.870  17.277  14.993
  655    H    VAL  98           H        VAL  98  -3.058  15.034  11.740
  656    HA   VAL  98           HA       VAL  98  -4.951  14.343  13.834
  657    HB   VAL  98           HB       VAL  98  -4.592  13.569  10.925
  658   1HG1  VAL  98          1HG1      VAL  98  -6.899  13.017  12.817
  659   2HG1  VAL  98          2HG1      VAL  98  -6.950  12.771  11.071
  660   3HG1  VAL  98          3HG1      VAL  98  -5.855  11.811  12.065
  661   1HG2  VAL  98          1HG2      VAL  98  -5.189  15.985  11.794
  662   2HG2  VAL  98          2HG2      VAL  98  -6.082  15.295  10.439
  663   3HG2  VAL  98          3HG2      VAL  98  -6.783  15.280  12.058
  664    H    ARG  99           H        ARG  99  -5.311  12.292  14.750
  665    HA   ARG  99           HA       ARG  99  -3.691   9.974  13.925
  666   1HB   ARG  99          1HB       ARG  99  -2.494  11.708  15.589
  667   2HB   ARG  99          2HB       ARG  99  -3.409  10.790  16.785
  668   1HG   ARG  99          1HG       ARG  99  -2.115   8.940  16.523
  669   2HG   ARG  99          2HG       ARG  99  -2.056   9.120  14.769
  670   1HD   ARG  99          1HD       ARG  99  -0.414  11.031  15.122
  671   2HD   ARG  99          2HD       ARG  99  -0.348  10.554  16.829
  672    HE   ARG  99           HE       ARG  99   0.448   8.320  16.074
  673   1HH1  ARG  99          1HH1      ARG  99  -0.524   9.621  13.227
  674   2HH1  ARG  99          2HH1      ARG  99   0.979   9.443  12.384
  675   1HH2  ARG  99          1HH2      ARG  99   2.782   8.623  15.231
  676   2HH2  ARG  99          2HH2      ARG  99   2.850   8.877  13.518
  677    H    LEU 100           H        LEU 100  -4.273   8.046  15.367
  678    HA   LEU 100           HA       LEU 100  -7.178   8.099  15.904
  679   1HB   LEU 100          2HB       LEU 100  -5.127   5.869  16.085
  680   2HB   LEU 100          1HB       LEU 100  -6.878   5.677  16.000
  681    HG   LEU 100           HG       LEU 100  -5.087   6.852  13.852
  682   1HD1  LEU 100          1HD1      LEU 100  -6.016   4.188  14.443
  683   2HD1  LEU 100          2HD1      LEU 100  -6.720   4.731  12.921
  684   3HD1  LEU 100          3HD1      LEU 100  -4.969   4.724  13.129
  685   1HD2  LEU 100          1HD2      LEU 100  -7.954   7.109  14.388
  686   2HD2  LEU 100          2HD2      LEU 100  -6.942   8.003  13.253
  687   3HD2  LEU 100          3HD2      LEU 100  -7.620   6.442  12.790
  688    H    THR 101           H        THR 101  -8.011   8.288  17.947
  689    HA   THR 101           HA       THR 101  -6.146   7.906  20.268
  690    HB   THR 101           HB       THR 101  -8.497   9.763  19.798
  691    HG1  THR 101           HG1      THR 101  -6.079  10.037  19.141
  692   1HG2  THR 101          1HG2      THR 101  -8.478   8.891  22.122
  693   2HG2  THR 101          2HG2      THR 101  -6.806   9.427  22.290
  694   3HG2  THR 101          3HG2      THR 101  -8.092  10.611  22.059
  695    H    CYS 102           H        CYS 102  -8.899   6.701  18.699
  696    HA   CYS 102           HA       CYS 102 -10.518   5.901  20.946
  697   1HB   CYS 102          1HB       CYS 102 -10.174   4.833  18.125
  698   2HB   CYS 102          2HB       CYS 102 -11.486   4.364  19.206
  699    H    ILE 103           H        ILE 103  -9.222   3.400  18.842
  700    HA   ILE 103           HA       ILE 103  -8.426   1.827  21.226
  701    HB   ILE 103           HB       ILE 103  -8.296   1.015  18.317
  702   1HG1  ILE 103          2HG1      ILE 103 -10.505   2.044  18.694
  703   2HG1  ILE 103          1HG1      ILE 103 -10.654   0.295  18.514
  704   1HG2  ILE 103          1HG2      ILE 103  -8.464  -0.341  20.985
  705   2HG2  ILE 103          2HG2      ILE 103  -9.161  -1.145  19.579
  706   3HG2  ILE 103          3HG2      ILE 103  -7.448  -0.729  19.596
  707   1HD1  ILE 103          1HD1      ILE 103 -10.442   0.243  21.109
  708   2HD1  ILE 103          2HD1      ILE 103 -10.851   1.956  21.021
  709   3HD1  ILE 103          3HD1      ILE 103 -11.978   0.747  20.406
  710    H    GLY 104           H        GLY 104  -6.716   4.018  20.843
  711   1HA   GLY 104          2HA       GLY 104  -4.562   4.463  19.619
  712   2HA   GLY 104          1HA       GLY 104  -4.278   2.724  19.686
  713    H    SER 105           H        SER 105  -2.332   2.950  20.868
  714    HA   SER 105           HA       SER 105  -2.691   3.817  23.719
  715   1HB   SER 105          1HB       SER 105  -2.319   1.523  23.805
  716   2HB   SER 105          2HB       SER 105  -1.342   1.526  22.337
  717    HG   SER 105           HG       SER 105  -0.067   1.223  24.201
  718    HA   PRO 106           HA       PRO 106   0.492   6.750  22.838
  719   1HB   PRO 106          1HB       PRO 106   1.193   7.346  25.415
  720   2HB   PRO 106          2HB       PRO 106  -0.299   7.934  24.658
  721   1HG   PRO 106          2HG       PRO 106   0.107   5.675  26.557
  722   2HG   PRO 106          1HG       PRO 106  -1.219   6.842  26.460
  723   1HD   PRO 106          1HD       PRO 106  -1.363   4.273  25.513
  724   2HD   PRO 106          2HD       PRO 106  -2.342   5.617  24.888
  725    H    ALA 107           H        ALA 107   2.792   6.767  22.738
  726    HA   ALA 107           HA       ALA 107   4.139   4.358  23.915
  727   1HB   ALA 107          1HB       ALA 107   4.031   5.590  21.249
  728   2HB   ALA 107          3HB       ALA 107   5.671   5.222  21.782
  729   3HB   ALA 107          2HB       ALA 107   4.461   3.942  21.704
  730    H    ALA 108           H        ALA 108   4.407   7.818  23.228
  731    HA   ALA 108           HA       ALA 108   7.085   8.021  24.432
  732   1HB   ALA 108          1HB       ALA 108   7.066   9.921  23.206
  733   2HB   ALA 108          3HB       ALA 108   5.457   9.465  22.644
  734   3HB   ALA 108          2HB       ALA 108   5.634  10.508  24.056
  735    H    ASP 109           H        ASP 109   7.493   9.320  26.366
  736    HA   ASP 109           HA       ASP 109   5.761   8.771  28.576
  737   1HB   ASP 109          1HB       ASP 109   8.034  10.713  28.086
  738   2HB   ASP 109          2HB       ASP 109   7.296  10.497  29.673
  739    H    GLU 110           H        GLU 110   6.427  11.878  26.911
  740    HA   GLU 110           HA       GLU 110   3.783  12.873  27.928
  741   1HB   GLU 110          1HB       GLU 110   6.406  13.816  28.285
  742   2HB   GLU 110          2HB       GLU 110   5.695  14.900  27.088
  743   1HG   GLU 110          1HG       GLU 110   3.645  14.617  28.911
  744   2HG   GLU 110          2HG       GLU 110   5.073  14.597  29.947
  745    H    VAL 111           H        VAL 111   2.378  12.752  26.196
  746    HA   VAL 111           HA       VAL 111   3.401  13.611  23.509
  747    HB   VAL 111           HB       VAL 111   1.117  11.757  24.262
  748   1HG1  VAL 111          1HG1      VAL 111   1.308  13.140  21.968
  749   2HG1  VAL 111          2HG1      VAL 111   2.384  11.802  21.562
  750   3HG1  VAL 111          3HG1      VAL 111   0.709  11.483  22.013
  751   1HG2  VAL 111          1HG2      VAL 111   3.382  10.875  24.833
  752   2HG2  VAL 111          2HG2      VAL 111   2.604   9.952  23.549
  753   3HG2  VAL 111          3HG2      VAL 111   3.870  11.116  23.156
  754    H    LYS 112           H        LYS 112   2.313  15.291  22.504
  755    HA   LYS 112           HA       LYS 112   0.068  16.552  24.014
  756   1HB   LYS 112          1HB       LYS 112   1.800  17.581  21.744
  757   2HB   LYS 112          2HB       LYS 112   0.714  18.542  22.747
  758   1HG   LYS 112          1HG       LYS 112   2.272  17.274  24.632
  759   2HG   LYS 112          2HG       LYS 112   3.425  17.559  23.330
  760   1HD   LYS 112          1HD       LYS 112   1.590  19.696  24.449
  761   2HD   LYS 112          2HD       LYS 112   3.254  19.456  24.984
  762   1HE   LYS 112          1HE       LYS 112   4.141  20.079  22.872
  763   2HE   LYS 112          2HE       LYS 112   2.583  19.845  22.057
  764   1HZ   LYS 112          1HZ       LYS 112   1.893  21.575  23.952
  765   2HZ   LYS 112          2HZ       LYS 112   3.503  22.060  23.717
  766   3HZ   LYS 112          3HZ       LYS 112   2.415  22.064  22.413
  767    H    ILE 113           H        ILE 113  -1.966  16.715  23.088
  768    HA   ILE 113           HA       ILE 113  -2.375  16.326  20.205
  769    HB   ILE 113           HB       ILE 113  -2.043  14.050  21.275
  770   1HG1  ILE 113          1HG1      ILE 113  -3.366  14.445  19.169
  771   2HG1  ILE 113          2HG1      ILE 113  -3.873  13.022  20.077
  772   1HG2  ILE 113          1HG2      ILE 113  -3.649  15.094  23.258
  773   2HG2  ILE 113          2HG2      ILE 113  -4.770  14.057  22.376
  774   3HG2  ILE 113          3HG2      ILE 113  -3.287  13.381  23.047
  775   1HD1  ILE 113          1HD1      ILE 113  -5.425  15.026  21.184
  776   2HD1  ILE 113          2HD1      ILE 113  -5.357  15.485  19.482
  777   3HD1  ILE 113          3HD1      ILE 113  -5.960  13.894  19.943
  778    H    VAL 114           H        VAL 114  -4.386  17.164  19.562
  779    HA   VAL 114           HA       VAL 114  -5.946  18.550  21.684
  780    HB   VAL 114           HB       VAL 114  -6.060  18.693  18.653
  781   1HG1  VAL 114          1HG1      VAL 114  -8.049  19.509  20.065
  782   2HG1  VAL 114          2HG1      VAL 114  -6.962  20.759  20.666
  783   3HG1  VAL 114          3HG1      VAL 114  -7.343  20.676  18.946
  784   1HG2  VAL 114          1HG2      VAL 114  -4.449  20.202  20.714
  785   2HG2  VAL 114          2HG2      VAL 114  -3.874  19.396  19.254
  786   3HG2  VAL 114          3HG2      VAL 114  -4.801  20.892  19.130
  787    H    TYR 115           H        TYR 115  -7.814  17.600  22.396
  788    HA   TYR 115           HA       TYR 115  -8.946  15.313  20.912
  789   1HB   TYR 115          2HB       TYR 115  -9.470  14.654  23.014
  790   2HB   TYR 115          1HB       TYR 115  -8.570  16.054  23.582
  791    HD1  TYR 115           HD1      TYR 115  -9.802  18.242  23.977
  792    HD2  TYR 115           HD2      TYR 115 -11.833  14.527  23.242
  793    HE1  TYR 115           HE1      TYR 115 -11.889  19.201  24.901
  794    HE2  TYR 115           HE2      TYR 115 -13.922  15.489  24.169
  795    HH   TYR 115           HH       TYR 115 -13.982  18.405  25.922
  796    H    ASN 116           H        ASN 116 -11.260  15.224  20.402
  797    HA   ASN 116           HA       ASN 116 -13.304  16.121  19.614
  798   1HB   ASN 116          1HB       ASN 116 -12.551  17.628  21.817
  799   2HB   ASN 116          2HB       ASN 116 -12.791  18.850  20.567
  800   2HD2  ASN 116          2HD2      ASN 116 -14.682  19.143  22.390
  801   1HD2  ASN 116          1HD2      ASN 116 -16.149  18.396  21.974
  802    H    ALA 117           H        ALA 117 -10.758  16.263  18.083
  803    HA   ALA 117           HA       ALA 117 -10.486  18.773  16.728
  804   1HB   ALA 117          1HB       ALA 117  -9.136  16.438  16.836
  805   2HB   ALA 117          3HB       ALA 117  -8.912  17.597  15.525
  806   3HB   ALA 117          2HB       ALA 117  -9.976  16.207  15.303
  807    H    LYS 118           H        LYS 118 -12.890  16.293  16.520
  808    HA   LYS 118           HA       LYS 118 -13.761  16.459  13.840
  809   1HB   LYS 118          2HB       LYS 118 -15.930  15.750  14.811
  810   2HB   LYS 118          1HB       LYS 118 -14.588  14.892  15.567
  811   1HG   LYS 118          1HG       LYS 118 -14.831  16.000  17.574
  812   2HG   LYS 118          2HG       LYS 118 -15.441  17.468  16.809
  813   1HD   LYS 118          1HD       LYS 118 -17.066  14.931  16.767
  814   2HD   LYS 118          2HD       LYS 118 -17.107  15.999  18.170
  815   1HE   LYS 118          1HE       LYS 118 -17.579  17.896  16.453
  816   2HE   LYS 118          2HE       LYS 118 -17.989  16.579  15.338
  817    H    HIS 119           H        HIS 119 -13.847  18.856  16.333
  818    HA   HIS 119           HA       HIS 119 -16.073  20.418  15.308
  819   1HB   HIS 119          1HB       HIS 119 -13.725  21.012  17.138
  820   2HB   HIS 119          2HB       HIS 119 -15.078  22.115  16.884
  821    HD1  HIS 119           HD1      HIS 119 -17.502  20.436  17.038
  822    HD2  HIS 119           HD2      HIS 119 -14.227  19.689  19.508
  823    HE1  HIS 119           HE1      HIS 119 -18.382  19.124  19.018
  824    H    LEU 120           H        LEU 120 -12.768  20.021  14.373
  825    HA   LEU 120           HA       LEU 120 -11.914  22.455  13.371
  826   1HB   LEU 120          1HB       LEU 120 -11.420  19.695  12.966
  827   2HB   LEU 120          2HB       LEU 120 -11.585  20.405  11.363
  828    HG   LEU 120           HG       LEU 120  -9.970  21.950  13.321
  829   1HD1  LEU 120          1HD1      LEU 120  -9.297  19.564  13.711
  830   2HD1  LEU 120          2HD1      LEU 120  -8.891  19.443  11.999
  831   3HD1  LEU 120          3HD1      LEU 120  -8.001  20.554  13.040
  832   1HD2  LEU 120          1HD2      LEU 120  -9.717  21.194  10.395
  833   2HD2  LEU 120          2HD2      LEU 120 -10.235  22.750  11.043
  834   3HD2  LEU 120          3HD2      LEU 120  -8.566  22.220  11.252
  835    H    ASP 121           H        ASP 121 -12.517  23.817  11.689
  836    HA   ASP 121           HA       ASP 121 -15.142  23.424  10.459
  837   1HB   ASP 121          1HB       ASP 121 -14.465  25.625  11.152
  838   2HB   ASP 121          2HB       ASP 121 -12.942  25.498  10.272
  839    H    TYR 122           H        TYR 122 -11.771  23.070   9.497
  840    HA   TYR 122           HA       TYR 122 -12.308  22.870   6.638
  841   1HB   TYR 122          1HB       TYR 122 -10.158  23.610   7.491
  842   2HB   TYR 122          2HB       TYR 122  -9.977  22.131   8.435
  843    HD1  TYR 122           HD1      TYR 122 -10.856  22.988   4.879
  844    HD2  TYR 122           HD2      TYR 122  -8.458  20.618   7.542
  845    HE1  TYR 122           HE1      TYR 122  -9.792  21.877   2.934
  846    HE2  TYR 122           HE2      TYR 122  -7.396  19.507   5.597
  847    HH   TYR 122           HH       TYR 122  -8.465  19.238   2.823
  848    H    LEU 123           H        LEU 123 -12.695  20.749   9.301
  849    HA   LEU 123           HA       LEU 123 -12.504  18.318   7.571
  850   1HB   LEU 123          1HB       LEU 123 -11.535  18.879  10.054
  851   2HB   LEU 123          2HB       LEU 123 -13.078  18.135  10.476
  852    HG   LEU 123           HG       LEU 123 -11.451  16.776   8.381
  853   1HD1  LEU 123          1HD1      LEU 123  -9.993  17.560  10.453
  854   2HD1  LEU 123          2HD1      LEU 123 -10.800  16.210  11.251
  855   3HD1  LEU 123          3HD1      LEU 123  -9.827  15.927   9.808
  856   1HD2  LEU 123          1HD2      LEU 123 -13.660  15.938   9.139
  857   2HD2  LEU 123          2HD2      LEU 123 -12.371  14.791   9.502
  858   3HD2  LEU 123          3HD2      LEU 123 -13.033  15.806  10.782
  859    H    GLN 124           H        GLN 124 -14.734  20.180   9.605
  860    HA   GLN 124           HA       GLN 124 -16.930  18.306   9.477
  861   1HB   GLN 124          1HB       GLN 124 -16.642  20.070  11.184
  862   2HB   GLN 124          2HB       GLN 124 -16.827  21.305   9.938
  863   1HG   GLN 124          1HG       GLN 124 -19.099  20.821   9.615
  864   2HG   GLN 124          2HG       GLN 124 -18.952  19.208  10.312
  865   2HE2  GLN 124          2HE2      GLN 124 -17.376  21.857  11.979
  866   1HE2  GLN 124          1HE2      GLN 124 -18.482  21.964  13.263
  867    H    ASN 125           H        ASN 125 -15.738  20.808   7.331
  868    HA   ASN 125           HA       ASN 125 -18.111  21.296   5.807
  869   1HB   ASN 125          1HB       ASN 125 -15.205  21.727   5.656
  870   2HB   ASN 125          2HB       ASN 125 -15.973  21.580   4.076
  871   2HD2  ASN 125          2HD2      ASN 125 -15.702  23.904   3.659
  872   1HD2  ASN 125          1HD2      ASN 125 -16.659  25.053   4.461
  873    H    ARG 126           H        ARG 126 -16.209  18.479   6.088
  874    HA   ARG 126           HA       ARG 126 -16.277  17.393   3.458
  875   1HB   ARG 126          1HB       ARG 126 -14.976  16.507   5.351
  876   2HB   ARG 126          2HB       ARG 126 -16.467  16.074   6.186
  877   1HG   ARG 126          2HG       ARG 126 -15.834  14.051   5.169
  878   2HG   ARG 126          1HG       ARG 126 -17.000  14.715   4.024
  879   1HD   ARG 126          1HD       ARG 126 -14.922  15.819   2.892
  880   2HD   ARG 126          2HD       ARG 126 -13.992  14.614   3.803
  881    HE   ARG 126           HE       ARG 126 -16.299  13.803   2.069
  882   1HH1  ARG 126          1HH1      ARG 126 -14.782  11.789   3.728
  883   2HH1  ARG 126          2HH1      ARG 126 -13.670  11.144   2.567
  884   1HH2  ARG 126          1HH2      ARG 126 -14.113  13.737   0.308
  885   2HH2  ARG 126          2HH2      ARG 126 -13.292  12.246   0.630
  886    H    VAL 127           H        VAL 127 -18.752  17.574   5.972
  887    HA   VAL 127           HA       VAL 127 -20.583  15.718   4.651
  888    HB   VAL 127           HB       VAL 127 -22.145  16.689   6.407
  889   1HG1  VAL 127          1HG1      VAL 127 -19.921  14.995   6.661
  890   2HG1  VAL 127          2HG1      VAL 127 -19.828  16.082   8.046
  891   3HG1  VAL 127          3HG1      VAL 127 -21.282  15.122   7.776
  892   1HG2  VAL 127          1HG2      VAL 127 -20.262  18.780   6.335
  893   2HG2  VAL 127          2HG2      VAL 127 -21.615  18.614   7.452
  894   3HG2  VAL 127          3HG2      VAL 127 -20.026  17.991   7.894
  895    H    ILE 128           H        ILE 128 -20.883  16.577   2.512
  896    HA   ILE 128           HA       ILE 128 -21.793  19.353   2.155
  897    HB   ILE 128           HB       ILE 128 -21.684  18.763  -0.188
  898   1HG1  ILE 128          1HG1      ILE 128 -21.453  15.877   0.717
  899   2HG1  ILE 128          2HG1      ILE 128 -22.923  16.602   0.064
  900   1HG2  ILE 128          1HG2      ILE 128 -19.549  18.617   1.485
  901   2HG2  ILE 128          2HG2      ILE 128 -19.489  17.009   0.762
  902   3HG2  ILE 128          3HG2      ILE 128 -19.422  18.442  -0.265
  903   1HD1  ILE 128          1HD1      ILE 128 -20.291  16.644  -1.429
  904   2HD1  ILE 128          2HD1      ILE 128 -21.461  15.336  -1.611
  905   3HD1  ILE 128          3HD1      ILE 128 -21.902  16.983  -2.063

  No H/Q in entry =         905
  Start of MODEL    4
    1    H2   PRO   1           H2       PRO   1   3.260   7.830  31.268
    2    H3   PRO   1           H3       PRO   1   4.268   6.932  30.232
    3    HA   PRO   1           HA       PRO   1   2.838   7.308  28.589
    4   1HB   PRO   1          1HB       PRO   1   0.506   6.059  29.289
    5   2HB   PRO   1          2HB       PRO   1   1.975   5.177  28.825
    6   1HG   PRO   1          2HG       PRO   1   0.874   5.746  31.536
    7   2HG   PRO   1          1HG       PRO   1   1.633   4.273  30.916
    8   1HD   PRO   1          1HD       PRO   1   2.930   6.078  32.488
    9   2HD   PRO   1          2HD       PRO   1   3.754   5.060  31.290
   10    H    THR   2           H        THR   2   2.928   9.641  29.871
   11    HA   THR   2           HA       THR   2   0.187  10.448  30.699
   12    HB   THR   2           HB       THR   2   2.950  11.676  30.797
   13    HG1  THR   2           HG1      THR   2   1.881  10.077  32.360
   14   1HG2  THR   2          1HG2      THR   2   0.274  12.960  31.024
   15   2HG2  THR   2          2HG2      THR   2   1.488  13.427  32.216
   16   3HG2  THR   2          3HG2      THR   2   1.810  13.646  30.496
   17    H    VAL   3           H        VAL   3  -1.038  11.917  29.483
   18    HA   VAL   3           HA       VAL   3   0.185  13.029  26.993
   19    HB   VAL   3           HB       VAL   3  -2.463  11.558  27.171
   20   1HG1  VAL   3          1HG1      VAL   3  -1.085  13.157  25.119
   21   2HG1  VAL   3          2HG1      VAL   3  -1.620  11.577  24.548
   22   3HG1  VAL   3          3HG1      VAL   3  -2.787  12.706  25.238
   23   1HG2  VAL   3          1HG2      VAL   3   0.288  10.666  26.282
   24   2HG2  VAL   3          2HG2      VAL   3  -0.752   9.919  27.494
   25   3HG2  VAL   3          3HG2      VAL   3  -1.184   9.832  25.786
   26    H    GLU   4           H        GLU   4  -0.307  15.184  26.872
   27    HA   GLU   4           HA       GLU   4  -2.368  16.325  28.651
   28   1HB   GLU   4          1HB       GLU   4   0.096  17.110  27.844
   29   2HB   GLU   4          2HB       GLU   4  -0.889  17.961  26.654
   30   1HG   GLU   4          1HG       GLU   4  -0.716  19.477  28.472
   31   2HG   GLU   4          2HG       GLU   4  -2.311  18.745  28.658
   32    H    TYR   5           H        TYR   5  -4.457  16.406  27.910
   33    HA   TYR   5           HA       TYR   5  -4.971  16.421  24.984
   34   1HB   TYR   5          1HB       TYR   5  -7.270  15.897  25.723
   35   2HB   TYR   5          2HB       TYR   5  -6.105  14.817  26.487
   36    HD1  TYR   5           HD1      TYR   5  -8.266  17.781  27.002
   37    HD2  TYR   5           HD2      TYR   5  -5.694  14.887  28.862
   38    HE1  TYR   5           HE1      TYR   5  -9.054  18.516  29.236
   39    HE2  TYR   5           HE2      TYR   5  -6.483  15.622  31.096
   40    HH   TYR   5           HH       TYR   5  -9.106  17.103  31.720
   41    H    LEU   6           H        LEU   6  -5.769  18.200  23.926
   42    HA   LEU   6           HA       LEU   6  -6.633  20.562  25.564
   43   1HB   LEU   6          1HB       LEU   6  -4.321  20.222  23.975
   44   2HB   LEU   6          2HB       LEU   6  -5.398  21.253  23.034
   45    HG   LEU   6           HG       LEU   6  -4.545  21.724  25.909
   46   1HD1  LEU   6          1HD1      LEU   6  -3.100  22.207  23.635
   47   2HD1  LEU   6          2HD1      LEU   6  -3.997  23.717  23.797
   48   3HD1  LEU   6          3HD1      LEU   6  -2.965  23.159  25.114
   49   1HD2  LEU   6          1HD2      LEU   6  -6.926  22.456  24.869
   50   2HD2  LEU   6          2HD2      LEU   6  -6.043  23.459  26.020
   51   3HD2  LEU   6          3HD2      LEU   6  -5.938  23.799  24.293
   52    H    ASN   7           H        ASN   7  -8.718  21.090  25.014
   53    HA   ASN   7           HA       ASN   7 -10.225  19.890  22.940
   54   1HB   ASN   7          1HB       ASN   7 -11.788  21.792  23.422
   55   2HB   ASN   7          2HB       ASN   7 -11.184  21.013  24.884
   56   2HD2  ASN   7          2HD2      ASN   7 -12.086  23.610  25.179
   57   1HD2  ASN   7          1HD2      ASN   7 -10.778  24.674  25.379
   58    H    TYR   8           H        TYR   8 -10.257  20.250  20.758
   59    HA   TYR   8           HA       TYR   8  -8.461  21.964  19.390
   60   1HB   TYR   8          1HB       TYR   8  -9.449  20.115  18.262
   61   2HB   TYR   8          2HB       TYR   8 -11.080  20.618  18.703
   62    HD1  TYR   8           HD1      TYR   8  -8.224  21.228  16.458
   63    HD2  TYR   8           HD2      TYR   8 -12.203  22.441  17.529
   64    HE1  TYR   8           HE1      TYR   8  -8.401  22.517  14.346
   65    HE2  TYR   8           HE2      TYR   8 -12.380  23.727  15.417
   66    HH   TYR   8           HH       TYR   8  -9.899  24.667  13.624
   67    H    GLU   9           H        GLU   9 -11.460  22.667  20.966
   68    HA   GLU   9           HA       GLU   9 -12.308  24.959  19.457
   69   1HB   GLU   9          1HB       GLU   9 -12.831  23.625  22.028
   70   2HB   GLU   9          2HB       GLU   9 -13.111  25.365  22.069
   71   1HG   GLU   9          1HG       GLU   9 -14.827  25.264  20.527
   72   2HG   GLU   9          2HG       GLU   9 -14.157  23.847  19.718
   73    H    THR  10           H        THR  10 -10.235  24.639  22.355
   74    HA   THR  10           HA       THR  10  -9.758  27.414  22.792
   75    HB   THR  10           HB       THR  10  -8.219  24.864  23.325
   76    HG1  THR  10           HG1      THR  10  -8.896  25.410  25.462
   77   1HG2  THR  10          1HG2      THR  10  -7.209  27.553  23.362
   78   2HG2  THR  10          2HG2      THR  10  -7.302  26.947  25.015
   79   3HG2  THR  10          3HG2      THR  10  -6.380  26.059  23.802
   80    H    LEU  11           H        LEU  11  -8.208  25.070  20.632
   81    HA   LEU  11           HA       LEU  11  -5.987  26.715  19.833
   82   1HB   LEU  11          1HB       LEU  11  -6.768  24.139  19.515
   83   2HB   LEU  11          2HB       LEU  11  -7.209  24.778  17.933
   84    HG   LEU  11           HG       LEU  11  -4.955  24.038  17.705
   85   1HD1  LEU  11          1HD1      LEU  11  -5.411  26.324  16.812
   86   2HD1  LEU  11          2HD1      LEU  11  -4.822  27.004  18.329
   87   3HD1  LEU  11          3HD1      LEU  11  -3.724  26.106  17.281
   88   1HD2  LEU  11          1HD2      LEU  11  -4.632  23.942  20.242
   89   2HD2  LEU  11          2HD2      LEU  11  -3.225  24.436  19.301
   90   3HD2  LEU  11          3HD2      LEU  11  -4.189  25.646  20.147
   91    H    ASP  12           H        ASP  12  -9.225  26.179  18.415
   92    HA   ASP  12           HA       ASP  12  -8.767  28.077  16.236
   93   1HB   ASP  12          1HB       ASP  12 -10.594  26.014  16.996
   94   2HB   ASP  12          2HB       ASP  12 -11.532  27.478  16.707
   95    H    ASP  13           H        ASP  13 -11.140  28.035  18.927
   96    HA   ASP  13           HA       ASP  13 -12.172  30.590  18.769
   97   1HB   ASP  13          1HB       ASP  13 -12.702  28.788  20.431
   98   2HB   ASP  13          2HB       ASP  13 -11.223  29.204  21.297
   99    H    GLN  14           H        GLN  14  -9.167  29.736  20.535
  100    HA   GLN  14           HA       GLN  14  -8.487  32.502  21.096
  101   1HB   GLN  14          2HB       GLN  14  -6.762  30.005  21.072
  102   2HB   GLN  14          1HB       GLN  14  -6.450  31.489  21.971
  103   1HG   GLN  14          1HG       GLN  14  -9.095  30.227  22.438
  104   2HG   GLN  14          2HG       GLN  14  -7.700  29.338  23.049
  105   2HE2  GLN  14          2HE2      GLN  14  -7.823  29.832  25.287
  106   1HE2  GLN  14          1HE2      GLN  14  -7.782  31.413  25.904
  107    H    GLY  15           H        GLY  15  -7.588  30.155  18.587
  108   1HA   GLY  15          2HA       GLY  15  -6.727  32.317  16.824
  109   2HA   GLY  15          1HA       GLY  15  -6.711  30.597  16.437
  110    H    TRP  16           H        TRP  16  -5.081  29.481  18.271
  111    HA   TRP  16           HA       TRP  16  -2.535  31.062  18.179
  112   1HB   TRP  16          1HB       TRP  16  -3.926  29.452  20.153
  113   2HB   TRP  16          2HB       TRP  16  -2.293  28.840  19.893
  114    HD1  TRP  16           HD1      TRP  16  -0.516  31.205  19.563
  115    HE1  TRP  16           HE1      TRP  16  -0.248  33.044  21.352
  116    HE3  TRP  16           HE3      TRP  16  -4.854  30.535  22.173
  117    HZ2  TRP  16           HZ2      TRP  16  -1.686  34.091  23.593
  118    HZ3  TRP  16           HZ3      TRP  16  -5.379  31.965  24.128
  119    HH2  TRP  16           HH2      TRP  16  -3.802  33.740  24.841
  120    H    ASP  17           H        ASP  17  -0.685  29.096  18.470
  121    HA   ASP  17           HA       ASP  17  -0.888  27.626  15.891
  122   1HB   ASP  17          1HB       ASP  17   1.035  29.179  16.811
  123   2HB   ASP  17          2HB       ASP  17   1.518  27.730  17.691
  124    H    MET  18           H        MET  18   0.758  25.485  16.317
  125    HA   MET  18           HA       MET  18  -0.932  23.654  17.828
  126   1HB   MET  18          1HB       MET  18   1.743  23.414  16.417
  127   2HB   MET  18          2HB       MET  18   0.855  22.039  17.073
  128   1HG   MET  18          1HG       MET  18  -0.891  22.264  15.524
  129   2HG   MET  18          2HG       MET  18  -0.505  23.953  15.190
  130   1HE   MET  18          1HE       MET  18  -1.064  23.286  12.967
  131   2HE   MET  18          2HE       MET  18   0.090  22.713  11.765
  132   3HE   MET  18          3HE       MET  18  -0.864  21.555  12.703
  133    H    ASP  19           H        ASP  19   2.390  24.919  18.224
  134    HA   ASP  19           HA       ASP  19   2.180  24.366  21.147
  135   1HB   ASP  19          1HB       ASP  19   4.039  23.186  19.124
  136   2HB   ASP  19          2HB       ASP  19   4.697  23.554  20.718
  137    H    ASP  20           H        ASP  20   2.398  26.728  19.109
  138    HA   ASP  20           HA       ASP  20   4.927  28.026  19.569
  139   1HB   ASP  20          1HB       ASP  20   3.239  28.465  17.750
  140   2HB   ASP  20          2HB       ASP  20   2.209  29.227  18.961
  141    H    ASP  21           H        ASP  21   1.721  29.009  20.837
  142    HA   ASP  21           HA       ASP  21   2.955  30.494  23.036
  143   1HB   ASP  21          1HB       ASP  21   0.808  30.967  21.667
  144   2HB   ASP  21          2HB       ASP  21   0.045  29.761  22.701
  145    H    ASP  22           H        ASP  22   2.740  27.279  22.665
  146    HA   ASP  22           HA       ASP  22   2.492  25.442  24.138
  147   1HB   ASP  22          1HB       ASP  22   3.684  27.755  25.623
  148   2HB   ASP  22          2HB       ASP  22   3.281  26.302  26.537
  149    H    LEU  23           H        LEU  23   0.019  26.477  23.623
  150    HA   LEU  23           HA       LEU  23  -1.608  27.581  25.567
  151   1HB   LEU  23          1HB       LEU  23  -2.049  25.239  23.696
  152   2HB   LEU  23          2HB       LEU  23  -3.361  26.012  24.586
  153    HG   LEU  23           HG       LEU  23  -1.483  27.391  22.642
  154   1HD1  LEU  23          1HD1      LEU  23  -3.851  25.870  22.229
  155   2HD1  LEU  23          2HD1      LEU  23  -4.273  27.565  21.986
  156   3HD1  LEU  23          3HD1      LEU  23  -2.970  26.837  21.047
  157   1HD2  LEU  23          1HD2      LEU  23  -3.352  28.357  24.700
  158   2HD2  LEU  23          2HD2      LEU  23  -2.052  29.215  23.871
  159   3HD2  LEU  23          3HD2      LEU  23  -3.632  29.053  23.103
  160    H    PHE  24           H        PHE  24  -0.329  24.269  25.507
  161    HA   PHE  24           HA       PHE  24  -1.868  23.122  27.590
  162   1HB   PHE  24          1HB       PHE  24   0.955  22.768  26.573
  163   2HB   PHE  24          2HB       PHE  24   0.315  21.753  27.865
  164    HD1  PHE  24           HD1      PHE  24  -2.184  20.854  27.353
  165    HD2  PHE  24           HD2      PHE  24   0.729  21.970  24.401
  166    HE1  PHE  24           HE1      PHE  24  -3.351  19.453  25.673
  167    HE2  PHE  24           HE2      PHE  24  -0.438  20.569  22.720
  168    HZ   PHE  24           HZ       PHE  24  -2.479  19.311  23.355
  169    H    GLU  25           H        GLU  25   0.574  25.579  27.704
  170    HA   GLU  25           HA       GLU  25   0.891  25.252  30.659
  171   1HB   GLU  25          1HB       GLU  25   2.429  26.503  28.406
  172   2HB   GLU  25          2HB       GLU  25   2.682  27.106  30.043
  173   1HG   GLU  25          1HG       GLU  25   3.170  24.795  30.802
  174   2HG   GLU  25          2HG       GLU  25   2.960  24.219  29.149
  175    H    LYS  26           H        LYS  26   0.092  27.693  28.169
  176    HA   LYS  26           HA       LYS  26  -0.552  29.772  30.094
  177   1HB   LYS  26          1HB       LYS  26  -0.238  29.417  27.285
  178   2HB   LYS  26          2HB       LYS  26  -1.844  30.100  27.547
  179   1HG   LYS  26          2HG       LYS  26   0.758  31.210  28.646
  180   2HG   LYS  26          1HG       LYS  26  -0.178  31.895  27.317
  181   1HD   LYS  26          1HD       LYS  26  -2.070  31.643  29.317
  182   2HD   LYS  26          2HD       LYS  26  -0.620  32.099  30.214
  183   1HE   LYS  26          1HE       LYS  26  -0.888  33.668  27.766
  184   2HE   LYS  26          2HE       LYS  26  -2.298  33.854  28.826
  185   1HZ   LYS  26          1HZ       LYS  26  -0.732  34.149  30.697
  186   2HZ   LYS  26          2HZ       LYS  26   0.563  34.127  29.599
  187   3HZ   LYS  26          3HZ       LYS  26  -0.587  35.374  29.531
  188    H    ALA  27           H        ALA  27  -2.263  27.053  28.766
  189    HA   ALA  27           HA       ALA  27  -4.961  27.983  29.015
  190   1HB   ALA  27          1HB       ALA  27  -4.687  26.009  27.806
  191   2HB   ALA  27          3HB       ALA  27  -5.221  25.361  29.357
  192   3HB   ALA  27          2HB       ALA  27  -3.506  25.359  28.943
  193    H    ALA  28           H        ALA  28  -2.618  26.840  31.361
  194    HA   ALA  28           HA       ALA  28  -4.494  26.240  33.488
  195   1HB   ALA  28          1HB       ALA  28  -1.619  26.359  32.979
  196   2HB   ALA  28          3HB       ALA  28  -2.023  26.922  34.600
  197   3HB   ALA  28          2HB       ALA  28  -2.512  25.310  34.079
  198    H    ASP  29           H        ASP  29  -3.349  29.171  32.117
  199    HA   ASP  29           HA       ASP  29  -3.566  30.801  34.544
  200   1HB   ASP  29          1HB       ASP  29  -2.584  30.987  31.852
  201   2HB   ASP  29          2HB       ASP  29  -3.680  32.337  32.145
  202    H    ALA  30           H        ALA  30  -5.596  29.990  31.769
  203    HA   ALA  30           HA       ALA  30  -7.695  31.901  32.578
  204   1HB   ALA  30          1HB       ALA  30  -7.117  30.025  30.316
  205   2HB   ALA  30          3HB       ALA  30  -8.784  30.549  30.563
  206   3HB   ALA  30          2HB       ALA  30  -7.519  31.742  30.264
  207    H    GLY  31           H        GLY  31  -7.452  28.368  32.116
  208   1HA   GLY  31          2HA       GLY  31  -9.398  28.028  34.345
  209   2HA   GLY  31          1HA       GLY  31  -8.287  26.784  33.771
  210    H    LEU  32           H        LEU  32  -8.692  26.086  31.423
  211    HA   LEU  32           HA       LEU  32 -11.398  26.488  30.367
  212   1HB   LEU  32          1HB       LEU  32  -9.229  24.532  29.547
  213   2HB   LEU  32          2HB       LEU  32 -10.555  25.123  28.548
  214    HG   LEU  32           HG       LEU  32  -8.582  27.042  29.778
  215   1HD1  LEU  32          1HD1      LEU  32  -7.815  25.003  28.049
  216   2HD1  LEU  32          2HD1      LEU  32  -8.094  26.373  26.973
  217   3HD1  LEU  32          3HD1      LEU  32  -6.947  26.516  28.306
  218   1HD2  LEU  32          1HD2      LEU  32 -10.483  27.058  27.425
  219   2HD2  LEU  32          2HD2      LEU  32 -10.517  28.095  28.851
  220   3HD2  LEU  32          3HD2      LEU  32  -9.243  28.292  27.647
  221    H    ASP  33           H        ASP  33 -12.707  24.460  29.791
  222    HA   ASP  33           HA       ASP  33 -13.520  23.035  32.084
  223   1HB   ASP  33          1HB       ASP  33 -14.180  23.257  29.368
  224   2HB   ASP  33          2HB       ASP  33 -13.847  21.542  29.604
  225    H    GLY  34           H        GLY  34 -12.985  20.963  32.900
  226   1HA   GLY  34          2HA       GLY  34 -11.551  19.166  33.388
  227   2HA   GLY  34          1HA       GLY  34 -10.284  20.074  32.561
  228    H    GLU  35           H        GLU  35 -13.308  19.165  31.018
  229    HA   GLU  35           HA       GLU  35 -12.198  16.802  29.696
  230   1HB   GLU  35          2HB       GLU  35 -14.392  16.696  28.710
  231   2HB   GLU  35          1HB       GLU  35 -14.617  17.265  30.364
  232   1HG   GLU  35          1HG       GLU  35 -14.463  19.642  29.374
  233   2HG   GLU  35          2HG       GLU  35 -14.694  18.869  27.806
  234    H    ASP  36           H        ASP  36 -11.512  19.985  29.297
  235    HA   ASP  36           HA       ASP  36 -11.267  19.766  26.312
  236   1HB   ASP  36          1HB       ASP  36 -12.007  21.905  28.239
  237   2HB   ASP  36          2HB       ASP  36 -11.008  22.410  26.875
  238    H    TYR  37           H        TYR  37  -9.660  21.052  29.245
  239    HA   TYR  37           HA       TYR  37  -7.035  20.583  27.878
  240   1HB   TYR  37          1HB       TYR  37  -7.314  22.902  27.684
  241   2HB   TYR  37          2HB       TYR  37  -8.192  23.020  29.207
  242    HD1  TYR  37           HD1      TYR  37  -4.815  21.937  27.959
  243    HD2  TYR  37           HD2      TYR  37  -7.070  23.917  31.034
  244    HE1  TYR  37           HE1      TYR  37  -2.709  22.503  29.141
  245    HE2  TYR  37           HE2      TYR  37  -4.963  24.481  32.215
  246    HH   TYR  37           HH       TYR  37  -2.011  23.038  31.493
  247    H    GLY  38           H        GLY  38  -5.640  19.431  29.161
  248   1HA   GLY  38          2HA       GLY  38  -6.468  18.585  31.817
  249   2HA   GLY  38          1HA       GLY  38  -5.117  19.715  31.871
  250    H    THR  39           H        THR  39  -4.399  17.395  32.853
  251    HA   THR  39           HA       THR  39  -2.678  16.206  30.746
  252    HB   THR  39           HB       THR  39  -2.633  15.486  33.661
  253    HG1  THR  39           HG1      THR  39  -2.753  17.641  33.860
  254   1HG2  THR  39          1HG2      THR  39  -1.027  14.919  31.488
  255   2HG2  THR  39          2HG2      THR  39  -0.176  16.258  32.259
  256   3HG2  THR  39          3HG2      THR  39  -0.534  14.794  33.177
  257    H    MET  40           H        MET  40  -2.963  14.106  30.023
  258    HA   MET  40           HA       MET  40  -5.320  12.616  31.074
  259   1HB   MET  40          1HB       MET  40  -4.593  13.287  28.571
  260   2HB   MET  40          2HB       MET  40  -3.750  11.743  28.694
  261   1HG   MET  40          1HG       MET  40  -5.866  10.652  29.375
  262   2HG   MET  40          2HG       MET  40  -6.704  12.197  29.220
  263   1HE   MET  40          1HE       MET  40  -5.798   9.161  28.119
  264   2HE   MET  40          2HE       MET  40  -6.496   9.005  26.501
  265   3HE   MET  40          3HE       MET  40  -4.778   9.341  26.695
  266    H    GLU  41           H        GLU  41  -5.098  10.305  31.499
  267    HA   GLU  41           HA       GLU  41  -2.293   9.429  32.109
  268   1HB   GLU  41          1HB       GLU  41  -4.804   9.526  33.735
  269   2HB   GLU  41          2HB       GLU  41  -3.696   8.184  34.016
  270   1HG   GLU  41          1HG       GLU  41  -2.873   9.790  35.501
  271   2HG   GLU  41          2HG       GLU  41  -1.869  10.074  34.080
  272    H    VAL  42           H        VAL  42  -1.991   7.889  30.489
  273    HA   VAL  42           HA       VAL  42  -4.195   5.918  30.014
  274    HB   VAL  42           HB       VAL  42  -1.735   6.473  28.340
  275   1HG1  VAL  42          1HG1      VAL  42  -3.559   4.458  28.168
  276   2HG1  VAL  42          2HG1      VAL  42  -4.328   5.679  27.155
  277   3HG1  VAL  42          3HG1      VAL  42  -2.700   5.119  26.777
  278   1HG2  VAL  42          1HG2      VAL  42  -3.933   8.224  28.891
  279   2HG2  VAL  42          2HG2      VAL  42  -2.601   8.466  27.760
  280   3HG2  VAL  42          3HG2      VAL  42  -4.076   7.660  27.225
  281    H    ALA  43           H        ALA  43  -3.865   3.845  30.724
  282    HA   ALA  43           HA       ALA  43  -1.346   3.105  32.019
  283   1HB   ALA  43          1HB       ALA  43  -4.114   2.274  31.903
  284   2HB   ALA  43          3HB       ALA  43  -3.061   0.877  31.687
  285   3HB   ALA  43          2HB       ALA  43  -2.900   1.887  33.122
  286    H    GLU  44           H        GLU  44   0.350   2.169  30.946
  287    HA   GLU  44           HA       GLU  44   0.646   1.725  28.245
  288   1HB   GLU  44          1HB       GLU  44   2.352   0.006  28.964
  289   2HB   GLU  44          2HB       GLU  44   2.455   1.530  29.847
  290   1HG   GLU  44          1HG       GLU  44   1.954   0.525  31.808
  291   2HG   GLU  44          2HG       GLU  44   0.586  -0.332  31.097
  292    H    GLY  45           H        GLY  45  -0.621   0.558  26.860
  293   1HA   GLY  45          2HA       GLY  45  -1.488  -2.163  27.724
  294   2HA   GLY  45          1HA       GLY  45  -1.271  -1.663  26.046
  295    H    GLU  46           H        GLU  46  -2.681   0.933  27.441
  296    HA   GLU  46           HA       GLU  46  -5.458  -0.104  26.968
  297   1HB   GLU  46          1HB       GLU  46  -4.241   1.891  28.871
  298   2HB   GLU  46          2HB       GLU  46  -5.959   1.968  28.481
  299   1HG   GLU  46          1HG       GLU  46  -5.356  -0.758  28.997
  300   2HG   GLU  46          2HG       GLU  46  -4.609   0.181  30.288
  301    H    TYR  47           H        TYR  47  -6.467   0.789  25.214
  302    HA   TYR  47           HA       TYR  47  -5.294   2.624  23.420
  303   1HB   TYR  47          2HB       TYR  47  -8.254   2.247  23.962
  304   2HB   TYR  47          1HB       TYR  47  -7.496   2.668  22.426
  305    HD1  TYR  47           HD1      TYR  47  -5.370   0.905  21.956
  306    HD2  TYR  47           HD2      TYR  47  -9.050   0.064  24.006
  307    HE1  TYR  47           HE1      TYR  47  -5.115  -1.506  21.425
  308    HE2  TYR  47           HE2      TYR  47  -8.796  -2.346  23.474
  309    HH   TYR  47           HH       TYR  47  -6.352  -3.493  21.273
  310    H    ILE  48           H        ILE  48  -5.256   4.865  23.314
  311    HA   ILE  48           HA       ILE  48  -5.461   6.514  25.558
  312    HB   ILE  48           HB       ILE  48  -5.876   7.040  22.604
  313   1HG1  ILE  48          1HG1      ILE  48  -3.483   7.967  24.089
  314   2HG1  ILE  48          2HG1      ILE  48  -3.644   6.220  23.916
  315   1HG2  ILE  48          1HG2      ILE  48  -6.860   8.805  24.208
  316   2HG2  ILE  48          2HG2      ILE  48  -5.191   9.125  24.679
  317   3HG2  ILE  48          3HG2      ILE  48  -5.698   9.371  23.008
  318   1HD1  ILE  48          1HD1      ILE  48  -4.150   7.898  21.498
  319   2HD1  ILE  48          2HD1      ILE  48  -2.477   7.715  22.027
  320   3HD1  ILE  48          3HD1      ILE  48  -3.433   6.291  21.619
  321    H    LEU  49           H        LEU  49  -7.910   6.533  22.932
  322    HA   LEU  49           HA       LEU  49  -9.927   8.004  24.099
  323   1HB   LEU  49          1HB       LEU  49 -10.217   7.156  21.905
  324   2HB   LEU  49          2HB       LEU  49  -9.940   5.493  22.421
  325    HG   LEU  49           HG       LEU  49 -12.168   6.637  23.873
  326   1HD1  LEU  49          1HD1      LEU  49 -12.114   7.912  21.561
  327   2HD1  LEU  49          2HD1      LEU  49 -12.743   6.388  20.937
  328   3HD1  LEU  49          3HD1      LEU  49 -13.635   7.269  22.178
  329   1HD2  LEU  49          1HD2      LEU  49 -11.325   4.182  22.835
  330   2HD2  LEU  49          2HD2      LEU  49 -12.847   4.491  23.670
  331   3HD2  LEU  49          3HD2      LEU  49 -12.776   4.569  21.910
  332    H    GLU  50           H        GLU  50  -9.029   4.670  24.892
  333    HA   GLU  50           HA       GLU  50 -11.299   4.254  26.692
  334   1HB   GLU  50          1HB       GLU  50  -9.434   2.712  25.335
  335   2HB   GLU  50          2HB       GLU  50  -8.914   2.571  27.015
  336   1HG   GLU  50          1HG       GLU  50 -11.209   1.918  27.664
  337   2HG   GLU  50          2HG       GLU  50 -11.719   2.046  25.981
  338    H    ALA  51           H        ALA  51  -7.782   4.796  27.114
  339    HA   ALA  51           HA       ALA  51  -7.646   4.784  29.920
  340   1HB   ALA  51          1HB       ALA  51  -6.202   6.149  27.680
  341   2HB   ALA  51          3HB       ALA  51  -5.801   6.600  29.337
  342   3HB   ALA  51          2HB       ALA  51  -5.607   4.930  28.807
  343    H    ALA  52           H        ALA  52  -8.082   7.645  27.844
  344    HA   ALA  52           HA       ALA  52  -8.648   9.459  29.999
  345   1HB   ALA  52          1HB       ALA  52  -8.212   9.525  27.244
  346   2HB   ALA  52          3HB       ALA  52  -9.870  10.100  27.425
  347   3HB   ALA  52          2HB       ALA  52  -8.556  10.919  28.268
  348    H    GLU  53           H        GLU  53 -10.677   7.356  28.023
  349    HA   GLU  53           HA       GLU  53 -13.228   8.462  28.720
  350   1HB   GLU  53          1HB       GLU  53 -13.023   6.956  26.874
  351   2HB   GLU  53          2HB       GLU  53 -12.228   5.735  27.869
  352   1HG   GLU  53          1HG       GLU  53 -14.956   6.625  28.696
  353   2HG   GLU  53          2HG       GLU  53 -14.833   5.582  27.279
  354    H    ALA  54           H        ALA  54 -10.977   6.454  30.468
  355    HA   ALA  54           HA       ALA  54 -12.842   5.300  32.355
  356   1HB   ALA  54          1HB       ALA  54  -9.905   5.630  31.982
  357   2HB   ALA  54          3HB       ALA  54 -10.455   5.289  33.623
  358   3HB   ALA  54          2HB       ALA  54 -10.836   4.170  32.315
  359    H    GLN  55           H        GLN  55 -11.025   8.329  32.206
  360    HA   GLN  55           HA       GLN  55 -11.657   9.071  34.977
  361   1HB   GLN  55          1HB       GLN  55 -10.485  10.577  32.616
  362   2HB   GLN  55          2HB       GLN  55 -10.503  11.165  34.279
  363   1HG   GLN  55          1HG       GLN  55  -9.415   8.442  33.975
  364   2HG   GLN  55          2HG       GLN  55  -8.464   9.693  33.172
  365   2HE2  GLN  55          2HE2      GLN  55  -8.228   8.081  35.893
  366   1HE2  GLN  55          1HE2      GLN  55  -7.822   9.300  37.003
  367    H    GLY  56           H        GLY  56 -13.053   9.527  31.798
  368   1HA   GLY  56          2HA       GLY  56 -15.037  11.426  32.984
  369   2HA   GLY  56          1HA       GLY  56 -15.543  10.079  31.967
  370    H    TYR  57           H        TYR  57 -12.756  10.885  30.560
  371    HA   TYR  57           HA       TYR  57 -13.334  13.388  29.237
  372   1HB   TYR  57          1HB       TYR  57 -11.501  11.033  28.761
  373   2HB   TYR  57          2HB       TYR  57 -11.534  12.405  27.653
  374    HD1  TYR  57           HD1      TYR  57 -11.999  14.671  29.477
  375    HD2  TYR  57           HD2      TYR  57  -9.469  11.231  29.940
  376    HE1  TYR  57           HE1      TYR  57 -10.542  15.951  31.021
  377    HE2  TYR  57           HE2      TYR  57  -8.010  12.511  31.482
  378    HH   TYR  57           HH       TYR  57  -8.933  15.502  32.825
  379    H    ASP  58           H        ASP  58 -13.894  13.599  26.917
  380    HA   ASP  58           HA       ASP  58 -15.542  11.301  25.907
  381   1HB   ASP  58          1HB       ASP  58 -16.878  13.154  26.864
  382   2HB   ASP  58          2HB       ASP  58 -16.082  14.285  25.769
  383    H    TRP  59           H        TRP  59 -15.247  10.797  23.751
  384    HA   TRP  59           HA       TRP  59 -13.659  12.685  22.053
  385   1HB   TRP  59          1HB       TRP  59 -13.270   9.681  22.201
  386   2HB   TRP  59          2HB       TRP  59 -12.238  10.853  21.383
  387    HD1  TRP  59           HD1      TRP  59 -13.435  10.019  24.962
  388    HE1  TRP  59           HE1      TRP  59 -11.550  10.648  26.604
  389    HE3  TRP  59           HE3      TRP  59 -10.071  12.062  21.707
  390    HZ2  TRP  59           HZ2      TRP  59  -8.959  11.857  26.545
  391    HZ3  TRP  59           HZ3      TRP  59  -7.905  12.944  22.526
  392    HH2  TRP  59           HH2      TRP  59  -7.346  12.843  24.940
  393    HA   PRO  60           HA       PRO  60 -16.807  11.737  19.120
  394   1HB   PRO  60          1HB       PRO  60 -15.452  12.306  16.807
  395   2HB   PRO  60          2HB       PRO  60 -16.064  13.559  17.903
  396   1HG   PRO  60          1HG       PRO  60 -13.305  12.457  17.626
  397   2HG   PRO  60          2HG       PRO  60 -13.828  14.128  17.885
  398   1HD   PRO  60          1HD       PRO  60 -12.864  12.537  19.875
  399   2HD   PRO  60          2HD       PRO  60 -14.038  13.841  20.156
  400    H    PHE  61           H        PHE  61 -17.219   9.528  18.976
  401    HA   PHE  61           HA       PHE  61 -15.369   7.925  17.256
  402   1HB   PHE  61          1HB       PHE  61 -15.332   6.182  18.897
  403   2HB   PHE  61          2HB       PHE  61 -15.037   7.679  19.782
  404    HD1  PHE  61           HD1      PHE  61 -17.143   8.887  20.758
  405    HD2  PHE  61           HD2      PHE  61 -17.076   4.764  19.556
  406    HE1  PHE  61           HE1      PHE  61 -19.139   8.446  22.162
  407    HE2  PHE  61           HE2      PHE  61 -19.071   4.323  20.961
  408    HZ   PHE  61           HZ       PHE  61 -20.103   6.163  22.264
  409    H    SER  62           H        SER  62 -16.552   7.072  15.611
  410    HA   SER  62           HA       SER  62 -19.329   6.115  16.170
  411   1HB   SER  62          1HB       SER  62 -19.741   7.142  13.775
  412   2HB   SER  62          2HB       SER  62 -19.768   8.197  15.187
  413    HG   SER  62           HG       SER  62 -18.311   8.567  13.146
  414    H    CYS  63           H        CYS  63 -16.998   4.512  15.980
  415    HA   CYS  63           HA       CYS  63 -16.197   3.499  13.515
  416   1HB   CYS  63          1HB       CYS  63 -16.435   2.608  16.292
  417   2HB   CYS  63          2HB       CYS  63 -16.523   1.269  15.148
  418    H    ARG  64           H        ARG  64 -17.896   3.474  11.948
  419    HA   ARG  64           HA       ARG  64 -19.439   1.060  11.766
  420   1HB   ARG  64          1HB       ARG  64 -20.691   2.090  13.595
  421   2HB   ARG  64          2HB       ARG  64 -20.867   3.581  12.670
  422   1HG   ARG  64          1HG       ARG  64 -22.109   2.294  10.920
  423   2HG   ARG  64          2HG       ARG  64 -22.017   0.866  11.952
  424   1HD   ARG  64          1HD       ARG  64 -23.484   1.768  13.548
  425   2HD   ARG  64          2HD       ARG  64 -23.156   3.437  13.045
  426    HE   ARG  64           HE       ARG  64 -24.387   1.660  11.017
  427   1HH1  ARG  64          1HH1      ARG  64 -24.292   4.782  11.352
  428   2HH1  ARG  64          2HH1      ARG  64 -25.972   5.089  11.636
  429   1HH2  ARG  64          1HH2      ARG  64 -26.749   1.768  12.256
  430   2HH2  ARG  64          2HH2      ARG  64 -27.363   3.383  12.148
  431    H    ALA  65           H        ALA  65 -20.838   1.084   9.811
  432    HA   ALA  65           HA       ALA  65 -21.382   1.771   7.609
  433   1HB   ALA  65          1HB       ALA  65 -21.410   4.031   9.196
  434   2HB   ALA  65          3HB       ALA  65 -20.266   4.477   7.931
  435   3HB   ALA  65          2HB       ALA  65 -21.904   3.985   7.502
  436    H    GLY  66           H        GLY  66 -18.488   3.737   8.387
  437   1HA   GLY  66          2HA       GLY  66 -17.197   3.198   5.895
  438   2HA   GLY  66          1HA       GLY  66 -16.574   2.084   7.113
  439    H    ALA  67           H        ALA  67 -14.792   2.830   8.147
  440    HA   ALA  67           HA       ALA  67 -13.169   4.353   8.951
  441   1HB   ALA  67          1HB       ALA  67 -13.737   5.190   6.541
  442   2HB   ALA  67          2HB       ALA  67 -12.887   6.286   7.631
  443   3HB   ALA  67          3HB       ALA  67 -14.622   6.470   7.372
  444    H    CYS  68           H        CYS  68 -13.387   6.996   9.743
  445    HA   CYS  68           HA       CYS  68 -15.870   7.272  11.348
  446   1HB   CYS  68          1HB       CYS  68 -13.066   7.067  12.493
  447   2HB   CYS  68          2HB       CYS  68 -14.516   7.441  13.424
  448    H    ALA  69           H        ALA  69 -15.913   9.134   9.732
  449    HA   ALA  69           HA       ALA  69 -14.058  11.206   9.504
  450   1HB   ALA  69          1HB       ALA  69 -17.038  10.949   9.449
  451   2HB   ALA  69          3HB       ALA  69 -16.356  12.575   9.423
  452   3HB   ALA  69          2HB       ALA  69 -15.933  11.421   8.158
  453    H    ASN  70           H        ASN  70 -16.780  11.186  11.849
  454    HA   ASN  70           HA       ASN  70 -16.075  13.450  13.347
  455   1HB   ASN  70          1HB       ASN  70 -17.837  11.234  13.481
  456   2HB   ASN  70          2HB       ASN  70 -17.030  11.320  15.047
  457   2HD2  ASN  70          2HD2      ASN  70 -17.794  14.071  12.876
  458   1HD2  ASN  70          1HD2      ASN  70 -18.835  14.847  13.968
  459    H    CYS  71           H        CYS  71 -14.859  10.115  13.668
  460    HA   CYS  71           HA       CYS  71 -13.298  10.552  16.044
  461   1HB   CYS  71          1HB       CYS  71 -14.066   8.377  14.975
  462   2HB   CYS  71          2HB       CYS  71 -12.794   8.605  13.775
  463    H    ALA  72           H        ALA  72 -11.993  12.433  15.841
  464    HA   ALA  72           HA       ALA  72  -9.602  12.109  14.122
  465   1HB   ALA  72          1HB       ALA  72 -11.869  13.922  13.639
  466   2HB   ALA  72          3HB       ALA  72 -10.605  13.389  12.532
  467   3HB   ALA  72          2HB       ALA  72 -10.303  14.734  13.630
  468    H    SER  73           H        SER  73  -7.810  13.210  14.970
  469    HA   SER  73           HA       SER  73  -8.244  15.022  17.306
  470   1HB   SER  73          1HB       SER  73  -6.805  12.387  17.147
  471   2HB   SER  73          2HB       SER  73  -6.230  13.614  18.276
  472    HG   SER  73           HG       SER  73  -8.628  12.190  18.240
  473    H    ILE  74           H        ILE  74  -5.785  15.746  17.969
  474    HA   ILE  74           HA       ILE  74  -4.168  16.173  15.502
  475    HB   ILE  74           HB       ILE  74  -5.228  18.326  17.363
  476   1HG1  ILE  74          1HG1      ILE  74  -6.904  17.370  15.775
  477   2HG1  ILE  74          2HG1      ILE  74  -6.530  19.059  15.431
  478   1HG2  ILE  74          1HG2      ILE  74  -2.864  18.522  16.237
  479   2HG2  ILE  74          2HG2      ILE  74  -3.793  18.809  14.766
  480   3HG2  ILE  74          3HG2      ILE  74  -3.978  19.887  16.150
  481   1HD1  ILE  74          1HD1      ILE  74  -5.192  16.715  14.045
  482   2HD1  ILE  74          2HD1      ILE  74  -6.569  17.600  13.384
  483   3HD1  ILE  74          3HD1      ILE  74  -5.032  18.425  13.638
  484    H    VAL  75           H        VAL  75  -2.616  14.765  16.577
  485    HA   VAL  75           HA       VAL  75  -1.611  15.075  19.212
  486    HB   VAL  75           HB       VAL  75  -1.211  13.153  17.731
  487   1HG1  VAL  75          1HG1      VAL  75  -0.630  15.130  15.845
  488   2HG1  VAL  75          2HG1      VAL  75   0.928  14.365  16.161
  489   3HG1  VAL  75          3HG1      VAL  75  -0.441  13.392  15.620
  490   1HG2  VAL  75          1HG2      VAL  75   1.120  14.693  18.829
  491   2HG2  VAL  75          2HG2      VAL  75   0.424  13.174  19.393
  492   3HG2  VAL  75          3HG2      VAL  75   1.417  13.202  17.936
  493    H    LYS  76           H        LYS  76  -0.591  16.851  20.074
  494    HA   LYS  76           HA       LYS  76   0.636  18.867  18.295
  495   1HB   LYS  76          1HB       LYS  76   0.279  18.670  21.304
  496   2HB   LYS  76          2HB       LYS  76   0.811  20.111  20.439
  497   1HG   LYS  76          1HG       LYS  76  -1.757  18.770  19.638
  498   2HG   LYS  76          2HG       LYS  76  -1.733  19.828  21.048
  499   1HD   LYS  76          1HD       LYS  76  -1.792  21.633  19.707
  500   2HD   LYS  76          2HD       LYS  76  -0.292  21.116  18.936
  501   1HE   LYS  76          1HE       LYS  76  -1.388  20.281  17.108
  502   2HE   LYS  76          2HE       LYS  76  -2.708  19.616  18.090
  503   1HZ   LYS  76          1HZ       LYS  76  -2.443  22.517  18.057
  504   2HZ   LYS  76          2HZ       LYS  76  -2.968  21.813  16.604
  505   3HZ   LYS  76          3HZ       LYS  76  -3.844  21.558  18.037
  506    H    GLU  77           H        GLU  77   1.619  16.076  19.973
  507    HA   GLU  77           HA       GLU  77   4.356  16.255  19.214
  508   1HB   GLU  77          1HB       GLU  77   3.632  17.957  21.340
  509   2HB   GLU  77          2HB       GLU  77   4.493  16.612  22.091
  510   1HG   GLU  77          1HG       GLU  77   6.420  16.957  20.706
  511   2HG   GLU  77          2HG       GLU  77   5.546  18.074  19.658
  512    H    GLY  78           H        GLY  78   5.680  14.525  20.372
  513   1HA   GLY  78          2HA       GLY  78   4.150  12.596  21.983
  514   2HA   GLY  78          1HA       GLY  78   5.857  12.466  21.559
  515    H    GLU  79           H        GLU  79   4.355  10.199  21.286
  516    HA   GLU  79           HA       GLU  79   3.507  10.021  18.436
  517   1HB   GLU  79          1HB       GLU  79   5.866   9.592  18.340
  518   2HB   GLU  79          2HB       GLU  79   5.801   8.560  19.769
  519   1HG   GLU  79          1HG       GLU  79   5.281   6.757  18.519
  520   2HG   GLU  79          2HG       GLU  79   3.952   7.618  17.743
  521    H    ILE  80           H        ILE  80   1.976   8.383  18.112
  522    HA   ILE  80           HA       ILE  80   1.185   6.818  20.547
  523    HB   ILE  80           HB       ILE  80  -0.446   7.662  18.130
  524   1HG1  ILE  80          1HG1      ILE  80  -0.068   8.924  20.854
  525   2HG1  ILE  80          2HG1      ILE  80   0.192   9.667  19.275
  526   1HG2  ILE  80          1HG2      ILE  80  -1.254   5.663  19.398
  527   2HG2  ILE  80          2HG2      ILE  80  -1.302   6.651  20.859
  528   3HG2  ILE  80          3HG2      ILE  80  -2.362   7.031  19.502
  529   1HD1  ILE  80          1HD1      ILE  80  -2.282   9.287  18.819
  530   2HD1  ILE  80          2HD1      ILE  80  -2.446   8.853  20.521
  531   3HD1  ILE  80          3HD1      ILE  80  -1.924  10.477  20.069
  532    H    ASP  81           H        ASP  81   0.857   4.579  20.297
  533    HA   ASP  81           HA       ASP  81   1.956   3.388  17.803
  534   1HB   ASP  81          1HB       ASP  81   2.071   2.878  20.600
  535   2HB   ASP  81          2HB       ASP  81   1.245   1.506  19.864
  536    H    MET  82           H        MET  82   0.393   3.015  16.265
  537    HA   MET  82           HA       MET  82  -2.264   1.968  17.188
  538   1HB   MET  82          1HB       MET  82  -1.941   4.255  15.975
  539   2HB   MET  82          2HB       MET  82  -1.682   3.275  14.533
  540   1HG   MET  82          1HG       MET  82  -4.050   2.605  16.215
  541   2HG   MET  82          2HG       MET  82  -4.130   4.099  15.280
  542   1HE   MET  82          1HE       MET  82  -5.776   1.363  15.261
  543   2HE   MET  82          2HE       MET  82  -6.340   2.633  14.178
  544   3HE   MET  82          3HE       MET  82  -6.076   0.996  13.565
  545    H    ASP  83           H        ASP  83  -2.826  -0.058  16.446
  546    HA   ASP  83           HA       ASP  83  -0.912  -1.668  14.980
  547   1HB   ASP  83          1HB       ASP  83  -3.450  -1.918  16.407
  548   2HB   ASP  83          2HB       ASP  83  -3.386  -2.958  14.984
  549    H    MET  84           H        MET  84  -0.937  -2.227  12.796
  550    HA   MET  84           HA       MET  84  -1.987  -0.562  10.819
  551   1HB   MET  84          1HB       MET  84  -0.462  -2.829  10.960
  552   2HB   MET  84          2HB       MET  84  -1.916  -3.449  10.178
  553   1HG   MET  84          1HG       MET  84  -1.755  -1.780   8.427
  554   2HG   MET  84          2HG       MET  84  -0.421  -0.978   9.256
  555   1HE   MET  84          1HE       MET  84  -1.224  -2.530   6.431
  556   2HE   MET  84          2HE       MET  84   0.283  -1.613   6.292
  557   3HE   MET  84          3HE       MET  84   0.240  -3.317   5.849
  558    H    GLN  85           H        GLN  85  -4.089  -0.089  10.333
  559    HA   GLN  85           HA       GLN  85  -6.078  -2.221  10.023
  560   1HB   GLN  85          1HB       GLN  85  -5.684  -1.047  12.542
  561   2HB   GLN  85          2HB       GLN  85  -7.117  -0.247  11.896
  562   1HG   GLN  85          1HG       GLN  85  -8.316  -2.249  11.723
  563   2HG   GLN  85          2HG       GLN  85  -6.854  -3.236  11.691
  564   2HE2  GLN  85          2HE2      GLN  85  -7.586  -4.534  13.534
  565   1HE2  GLN  85          1HE2      GLN  85  -7.610  -3.894  15.106
  566    H    GLN  86           H        GLN  86  -5.913   1.311  10.652
  567    HA   GLN  86           HA       GLN  86  -7.768   1.741   8.354
  568   1HB   GLN  86          1HB       GLN  86  -8.060   2.628  10.780
  569   2HB   GLN  86          2HB       GLN  86  -6.804   3.789  10.350
  570   1HG   GLN  86          2HG       GLN  86  -8.453   5.054   9.463
  571   2HG   GLN  86          1HG       GLN  86  -8.548   3.853   8.175
  572   2HE2  GLN  86          2HE2      GLN  86  -9.874   1.747   9.067
  573   1HE2  GLN  86          1HE2      GLN  86 -11.350   2.139   9.810
  574    H    ILE  87           H        ILE  87  -7.232   3.544   6.866
  575    HA   ILE  87           HA       ILE  87  -4.414   3.484   6.077
  576    HB   ILE  87           HB       ILE  87  -6.298   3.416   4.477
  577   1HG1  ILE  87          1HG1      ILE  87  -4.759   6.013   4.220
  578   2HG1  ILE  87          2HG1      ILE  87  -4.079   4.427   3.851
  579   1HG2  ILE  87          1HG2      ILE  87  -6.850   6.211   5.521
  580   2HG2  ILE  87          2HG2      ILE  87  -7.622   5.495   4.108
  581   3HG2  ILE  87          3HG2      ILE  87  -7.898   4.806   5.705
  582   1HD1  ILE  87          1HD1      ILE  87  -5.956   4.073   2.220
  583   2HD1  ILE  87          2HD1      ILE  87  -6.469   5.735   2.517
  584   3HD1  ILE  87          3HD1      ILE  87  -4.896   5.414   1.785
  585    H    LEU  88           H        LEU  88  -2.902   5.008   6.601
  586    HA   LEU  88           HA       LEU  88  -3.816   7.702   7.521
  587   1HB   LEU  88          1HB       LEU  88  -1.905   5.789   8.903
  588   2HB   LEU  88          2HB       LEU  88  -2.144   7.467   9.388
  589    HG   LEU  88           HG       LEU  88  -4.396   5.449   9.197
  590   1HD1  LEU  88          1HD1      LEU  88  -2.785   6.351  11.606
  591   2HD1  LEU  88          2HD1      LEU  88  -4.260   5.387  11.685
  592   3HD1  LEU  88          3HD1      LEU  88  -2.814   4.726  10.921
  593   1HD2  LEU  88          1HD2      LEU  88  -4.190   8.316   9.694
  594   2HD2  LEU  88          2HD2      LEU  88  -5.624   7.335   9.386
  595   3HD2  LEU  88          3HD2      LEU  88  -4.989   7.477  11.025
  596    H    SER  89           H        SER  89  -2.383   9.361   6.902
  597    HA   SER  89           HA       SER  89  -0.017   8.489   5.276
  598   1HB   SER  89          1HB       SER  89  -2.277  10.198   4.802
  599   2HB   SER  89          2HB       SER  89  -0.807  11.169   4.726
  600    HG   SER  89           HG       SER  89  -1.301  10.210   2.716
  601    H    ASP  90           H        ASP  90   1.972   9.244   5.922
  602    HA   ASP  90           HA       ASP  90   2.532  10.358   8.414
  603   1HB   ASP  90          1HB       ASP  90   3.889  10.406   5.726
  604   2HB   ASP  90          2HB       ASP  90   4.640  11.197   7.112
  605    H    GLU  91           H        GLU  91   1.853  12.065   5.374
  606    HA   GLU  91           HA       GLU  91   2.421  14.720   6.197
  607   1HB   GLU  91          1HB       GLU  91   0.865  13.296   4.135
  608   2HB   GLU  91          2HB       GLU  91   0.261  14.913   4.493
  609   1HG   GLU  91          1HG       GLU  91   2.666  15.727   4.254
  610   2HG   GLU  91          2HG       GLU  91   3.045  14.134   3.598
  611    H    GLU  92           H        GLU  92  -0.522  12.758   6.573
  612    HA   GLU  92           HA       GLU  92  -2.282  14.712   7.604
  613   1HB   GLU  92          1HB       GLU  92  -2.096  11.892   7.328
  614   2HB   GLU  92          2HB       GLU  92  -2.521  12.203   9.011
  615   1HG   GLU  92          1HG       GLU  92  -4.411  13.586   8.319
  616   2HG   GLU  92          2HG       GLU  92  -3.956  13.405   6.624
  617    H    VAL  93           H        VAL  93   0.190  12.768   9.281
  618    HA   VAL  93           HA       VAL  93  -0.400  13.951  11.894
  619    HB   VAL  93           HB       VAL  93   2.042  12.404  10.988
  620   1HG1  VAL  93          1HG1      VAL  93   0.557  12.640  13.623
  621   2HG1  VAL  93          2HG1      VAL  93   1.921  11.559  13.335
  622   3HG1  VAL  93          3HG1      VAL  93   2.148  13.307  13.256
  623   1HG2  VAL  93          1HG2      VAL  93  -0.795  11.564  11.275
  624   2HG2  VAL  93          2HG2      VAL  93   0.487  10.878  10.276
  625   3HG2  VAL  93          3HG2      VAL  93   0.410  10.497  11.997
  626    H    GLU  94           H        GLU  94   1.672  14.674   9.180
  627    HA   GLU  94           HA       GLU  94   3.457  16.434  10.732
  628   1HB   GLU  94          1HB       GLU  94   3.149  15.479   7.902
  629   2HB   GLU  94          2HB       GLU  94   4.162  16.885   8.224
  630   1HG   GLU  94          1HG       GLU  94   4.511  14.411   9.890
  631   2HG   GLU  94          2HG       GLU  94   5.220  14.473   8.277
  632    H    GLU  95           H        GLU  95   0.701  16.731   8.516
  633    HA   GLU  95           HA       GLU  95   0.851  19.710   8.781
  634   1HB   GLU  95          1HB       GLU  95   0.167  17.780   6.697
  635   2HB   GLU  95          2HB       GLU  95  -1.073  19.021   6.882
  636   1HG   GLU  95          1HG       GLU  95   0.240  20.478   5.780
  637   2HG   GLU  95          2HG       GLU  95   1.460  20.315   7.043
  638    H    LYS  96           H        LYS  96  -1.275  16.908   9.267
  639    HA   LYS  96           HA       LYS  96  -3.363  18.728  10.400
  640   1HB   LYS  96          1HB       LYS  96  -3.295  16.010   9.130
  641   2HB   LYS  96          2HB       LYS  96  -4.623  16.409  10.218
  642   1HG   LYS  96          1HG       LYS  96  -4.562  18.661   8.710
  643   2HG   LYS  96          2HG       LYS  96  -3.989  17.486   7.526
  644   1HD   LYS  96          1HD       LYS  96  -6.332  16.682   9.176
  645   2HD   LYS  96          2HD       LYS  96  -6.611  17.935   7.967
  646   1HE   LYS  96          1HE       LYS  96  -5.061  16.048   6.611
  647   2HE   LYS  96          2HE       LYS  96  -6.182  15.071   7.579
  648   1HZ   LYS  96          1HZ       LYS  96  -7.898  16.826   6.827
  649   2HZ   LYS  96          2HZ       LYS  96  -6.786  17.172   5.591
  650   3HZ   LYS  96          3HZ       LYS  96  -7.447  15.613   5.726
  651    H    ASP  97           H        ASP  97  -0.940  16.454  11.312
  652    HA   ASP  97           HA       ASP  97  -0.398  15.512  13.417
  653   1HB   ASP  97          2HB       ASP  97  -2.371  17.423  14.645
  654   2HB   ASP  97          1HB       ASP  97  -0.755  16.984  15.200
  655    H    VAL  98           H        VAL  98  -2.995  14.755  11.880
  656    HA   VAL  98           HA       VAL  98  -4.808  13.904  14.030
  657    HB   VAL  98           HB       VAL  98  -4.670  13.612  11.024
  658   1HG1  VAL  98          1HG1      VAL  98  -6.729  12.481  12.943
  659   2HG1  VAL  98          2HG1      VAL  98  -6.947  12.587  11.196
  660   3HG1  VAL  98          3HG1      VAL  98  -5.680  11.559  11.867
  661   1HG2  VAL  98          1HG2      VAL  98  -5.365  15.769  12.317
  662   2HG2  VAL  98          2HG2      VAL  98  -6.400  15.206  11.004
  663   3HG2  VAL  98          3HG2      VAL  98  -6.845  14.880  12.679
  664    H    ARG  99           H        ARG  99  -5.372  11.585  14.312
  665    HA   ARG  99           HA       ARG  99  -3.816   9.443  13.197
  666   1HB   ARG  99          1HB       ARG  99  -2.498  11.056  15.097
  667   2HB   ARG  99          2HB       ARG  99  -2.921   9.572  15.952
  668   1HG   ARG  99          1HG       ARG  99  -2.010   8.396  13.786
  669   2HG   ARG  99          2HG       ARG  99  -1.182   9.931  13.527
  670   1HD   ARG  99          1HD       ARG  99  -0.537   9.576  16.111
  671   2HD   ARG  99          2HD       ARG  99  -0.741   7.876  15.650
  672    HE   ARG  99           HE       ARG  99   0.970   9.728  14.028
  673   1HH1  ARG  99          1HH1      ARG  99   0.068   6.545  14.612
  674   2HH1  ARG  99          2HH1      ARG  99   1.677   5.905  14.612
  675   1HH2  ARG  99          1HH2      ARG  99   3.201   9.018  14.508
  676   2HH2  ARG  99          2HH2      ARG  99   3.451   7.305  14.553
  677    H    LEU 100           H        LEU 100  -5.013   7.612  13.571
  678    HA   LEU 100           HA       LEU 100  -7.416   7.591  15.085
  679   1HB   LEU 100          1HB       LEU 100  -5.643   5.702  13.664
  680   2HB   LEU 100          2HB       LEU 100  -6.652   4.960  14.906
  681    HG   LEU 100           HG       LEU 100  -7.835   4.968  12.755
  682   1HD1  LEU 100          1HD1      LEU 100  -8.969   5.515  15.044
  683   2HD1  LEU 100          2HD1      LEU 100  -9.119   7.146  14.392
  684   3HD1  LEU 100          3HD1      LEU 100  -9.884   5.790  13.563
  685   1HD2  LEU 100          1HD2      LEU 100  -7.431   7.971  12.907
  686   2HD2  LEU 100          2HD2      LEU 100  -6.706   6.881  11.724
  687   3HD2  LEU 100          3HD2      LEU 100  -8.449   7.150  11.723
  688    H    THR 101           H        THR 101  -7.534   7.793  17.289
  689    HA   THR 101           HA       THR 101  -5.398   6.496  18.950
  690    HB   THR 101           HB       THR 101  -6.033   8.228  20.613
  691    HG1  THR 101           HG1      THR 101  -7.877   9.162  20.375
  692   1HG2  THR 101          1HG2      THR 101  -4.571   8.579  18.329
  693   2HG2  THR 101          2HG2      THR 101  -5.740   9.891  18.196
  694   3HG2  THR 101          3HG2      THR 101  -4.702   9.776  19.617
  695    H    CYS 102           H        CYS 102  -8.167   5.535  17.814
  696    HA   CYS 102           HA       CYS 102  -9.799   5.081  20.191
  697   1HB   CYS 102          1HB       CYS 102  -9.804   4.507  17.287
  698   2HB   CYS 102          2HB       CYS 102 -10.656   3.322  18.277
  699    H    ILE 103           H        ILE 103  -7.548   3.124  18.232
  700    HA   ILE 103           HA       ILE 103  -7.506   1.114  20.461
  701    HB   ILE 103           HB       ILE 103  -8.776   0.370  18.463
  702   1HG1  ILE 103          1HG1      ILE 103  -6.388  -1.278  18.088
  703   2HG1  ILE 103          2HG1      ILE 103  -6.751  -0.997  19.790
  704   1HG2  ILE 103          1HG2      ILE 103  -6.537   1.624  17.131
  705   2HG2  ILE 103          2HG2      ILE 103  -6.701  -0.048  16.595
  706   3HG2  ILE 103          3HG2      ILE 103  -8.060   1.063  16.442
  707   1HD1  ILE 103          1HD1      ILE 103  -9.169  -1.630  19.223
  708   2HD1  ILE 103          2HD1      ILE 103  -8.544  -2.216  17.681
  709   3HD1  ILE 103          3HD1      ILE 103  -7.993  -2.944  19.191
  710    H    GLY 104           H        GLY 104  -5.674   3.340  20.158
  711   1HA   GLY 104          2HA       GLY 104  -3.366   3.533  19.074
  712   2HA   GLY 104          1HA       GLY 104  -3.175   1.833  19.499
  713    H    SER 105           H        SER 105  -1.366   2.300  20.876
  714    HA   SER 105           HA       SER 105  -2.156   3.538  23.489
  715   1HB   SER 105          1HB       SER 105  -0.799   1.918  24.489
  716   2HB   SER 105          2HB       SER 105  -1.392   1.042  23.078
  717    HG   SER 105           HG       SER 105   0.776   0.786  23.044
  718    HA   PRO 106           HA       PRO 106   0.891   6.647  22.926
  719   1HB   PRO 106          1HB       PRO 106   1.686   7.069  25.509
  720   2HB   PRO 106          2HB       PRO 106   0.115   7.599  24.882
  721   1HG   PRO 106          2HG       PRO 106   0.798   5.229  26.549
  722   2HG   PRO 106          1HG       PRO 106  -0.623   6.281  26.614
  723   1HD   PRO 106          1HD       PRO 106  -0.596   3.796  25.449
  724   2HD   PRO 106          2HD       PRO 106  -1.723   5.092  25.002
  725    H    ALA 107           H        ALA 107   2.884   6.209  22.042
  726    HA   ALA 107           HA       ALA 107   4.573   4.051  23.113
  727   1HB   ALA 107          1HB       ALA 107   4.372   5.790  20.717
  728   2HB   ALA 107          3HB       ALA 107   4.753   4.072  20.827
  729   3HB   ALA 107          2HB       ALA 107   6.005   5.273  21.141
  730    H    ALA 108           H        ALA 108   4.325   7.508  23.375
  731    HA   ALA 108           HA       ALA 108   7.024   7.633  24.676
  732   1HB   ALA 108          1HB       ALA 108   6.577   9.023  22.634
  733   2HB   ALA 108          3HB       ALA 108   5.284   9.834  23.516
  734   3HB   ALA 108          2HB       ALA 108   6.955   9.997  24.054
  735    H    ASP 109           H        ASP 109   7.118   8.358  26.816
  736    HA   ASP 109           HA       ASP 109   4.935   8.113  28.567
  737   1HB   ASP 109          1HB       ASP 109   7.494   9.729  28.662
  738   2HB   ASP 109          2HB       ASP 109   6.427   9.565  30.056
  739    H    GLU 110           H        GLU 110   6.391  11.262  27.654
  740    HA   GLU 110           HA       GLU 110   3.852  12.629  28.317
  741   1HB   GLU 110          2HB       GLU 110   5.226  14.622  28.112
  742   2HB   GLU 110          1HB       GLU 110   6.158  13.410  28.992
  743   1HG   GLU 110          1HG       GLU 110   7.768  13.903  27.450
  744   2HG   GLU 110          2HG       GLU 110   6.846  12.801  26.429
  745    H    VAL 111           H        VAL 111   2.349  13.043  26.744
  746    HA   VAL 111           HA       VAL 111   3.282  13.452  23.935
  747    HB   VAL 111           HB       VAL 111   0.980  11.672  24.798
  748   1HG1  VAL 111          1HG1      VAL 111   1.999  12.692  22.235
  749   2HG1  VAL 111          2HG1      VAL 111   1.796  10.940  22.267
  750   3HG1  VAL 111          3HG1      VAL 111   0.426  11.993  22.621
  751   1HG2  VAL 111          1HG2      VAL 111   3.838  11.025  24.030
  752   2HG2  VAL 111          2HG2      VAL 111   3.008  10.608  25.530
  753   3HG2  VAL 111          3HG2      VAL 111   2.544   9.827  24.017
  754    H    LYS 112           H        LYS 112   2.030  14.979  22.812
  755    HA   LYS 112           HA       LYS 112  -0.226  16.217  24.356
  756   1HB   LYS 112          1HB       LYS 112   1.860  17.384  22.488
  757   2HB   LYS 112          2HB       LYS 112   0.506  18.305  23.144
  758   1HG   LYS 112          1HG       LYS 112   1.280  17.976  25.403
  759   2HG   LYS 112          2HG       LYS 112   2.496  16.814  24.875
  760   1HD   LYS 112          1HD       LYS 112   3.783  18.505  23.788
  761   2HD   LYS 112          2HD       LYS 112   2.469  19.677  23.900
  762   1HE   LYS 112          1HE       LYS 112   3.221  18.618  26.526
  763   2HE   LYS 112          2HE       LYS 112   4.567  19.442  25.714
  764   1HZ   LYS 112          1HZ       LYS 112   3.063  21.286  25.213
  765   2HZ   LYS 112          2HZ       LYS 112   1.803  20.502  26.040
  766   3HZ   LYS 112          3HZ       LYS 112   3.173  21.037  26.889
  767    H    ILE 113           H        ILE 113  -2.166  16.422  23.275
  768    HA   ILE 113           HA       ILE 113  -2.330  16.346  20.345
  769    HB   ILE 113           HB       ILE 113  -2.122  14.008  20.708
  770   1HG1  ILE 113          1HG1      ILE 113  -5.091  14.632  20.771
  771   2HG1  ILE 113          2HG1      ILE 113  -4.085  14.601  19.323
  772   1HG2  ILE 113          1HG2      ILE 113  -3.930  14.481  23.092
  773   2HG2  ILE 113          2HG2      ILE 113  -3.538  12.871  22.487
  774   3HG2  ILE 113          3HG2      ILE 113  -2.259  13.915  23.106
  775   1HD1  ILE 113          1HD1      ILE 113  -4.217  12.208  21.151
  776   2HD1  ILE 113          2HD1      ILE 113  -5.452  12.466  19.919
  777   3HD1  ILE 113          3HD1      ILE 113  -3.764  12.271  19.448
  778    H    VAL 114           H        VAL 114  -4.360  17.118  19.620
  779    HA   VAL 114           HA       VAL 114  -6.048  18.356  21.719
  780    HB   VAL 114           HB       VAL 114  -5.106  18.995  19.109
  781   1HG1  VAL 114          1HG1      VAL 114  -8.108  18.655  19.250
  782   2HG1  VAL 114          2HG1      VAL 114  -7.339  19.776  18.127
  783   3HG1  VAL 114          3HG1      VAL 114  -7.004  18.047  18.016
  784   1HG2  VAL 114          1HG2      VAL 114  -5.604  20.362  21.293
  785   2HG2  VAL 114          2HG2      VAL 114  -5.727  21.155  19.724
  786   3HG2  VAL 114          3HG2      VAL 114  -7.185  20.608  20.552
  787    H    TYR 115           H        TYR 115  -8.141  17.648  22.149
  788    HA   TYR 115           HA       TYR 115  -9.039  15.215  20.671
  789   1HB   TYR 115          1HB       TYR 115  -9.750  14.480  22.712
  790   2HB   TYR 115          2HB       TYR 115  -8.681  15.730  23.337
  791    HD1  TYR 115           HD1      TYR 115  -9.761  18.147  23.531
  792    HD2  TYR 115           HD2      TYR 115 -11.987  14.477  23.351
  793    HE1  TYR 115           HE1      TYR 115 -11.708  19.275  24.567
  794    HE2  TYR 115           HE2      TYR 115 -13.934  15.607  24.388
  795    HH   TYR 115           HH       TYR 115 -14.652  18.366  24.425
  796    H    ASN 116           H        ASN 116 -11.431  15.051  20.285
  797    HA   ASN 116           HA       ASN 116 -13.482  15.925  19.490
  798   1HB   ASN 116          1HB       ASN 116 -12.526  17.646  21.568
  799   2HB   ASN 116          2HB       ASN 116 -13.210  18.655  20.298
  800   2HD2  ASN 116          2HD2      ASN 116 -15.082  19.140  21.711
  801   1HD2  ASN 116          1HD2      ASN 116 -16.299  17.982  21.952
  802    H    ALA 117           H        ALA 117 -11.273  15.861  17.713
  803    HA   ALA 117           HA       ALA 117 -10.736  18.367  16.417
  804   1HB   ALA 117          1HB       ALA 117  -9.478  16.180  16.247
  805   2HB   ALA 117          3HB       ALA 117  -9.813  16.937  14.689
  806   3HB   ALA 117          2HB       ALA 117 -10.789  15.573  15.235
  807    H    LYS 118           H        LYS 118 -13.495  16.255  16.360
  808    HA   LYS 118           HA       LYS 118 -14.629  16.641  13.836
  809   1HB   LYS 118          1HB       LYS 118 -16.805  16.501  15.136
  810   2HB   LYS 118          2HB       LYS 118 -15.633  15.244  15.532
  811   1HG   LYS 118          1HG       LYS 118 -15.011  16.314  17.561
  812   2HG   LYS 118          2HG       LYS 118 -15.782  17.829  17.089
  813   1HD   LYS 118          1HD       LYS 118 -17.689  15.642  17.034
  814   2HD   LYS 118          2HD       LYS 118 -16.926  15.768  18.619
  815   1HE   LYS 118          1HE       LYS 118 -17.407  18.324  18.403
  816   2HE   LYS 118          2HE       LYS 118 -18.558  17.836  17.144
  817    H    HIS 119           H        HIS 119 -14.117  18.996  16.362
  818    HA   HIS 119           HA       HIS 119 -16.051  20.965  15.588
  819   1HB   HIS 119          1HB       HIS 119 -13.328  21.070  16.919
  820   2HB   HIS 119          2HB       HIS 119 -14.385  22.476  16.789
  821    HD1  HIS 119           HD1      HIS 119 -17.106  21.246  17.386
  822    HD2  HIS 119           HD2      HIS 119 -13.678  20.295  19.560
  823    HE1  HIS 119           HE1      HIS 119 -17.898  20.372  19.626
  824    H    LEU 120           H        LEU 120 -12.943  20.033  14.263
  825    HA   LEU 120           HA       LEU 120 -12.016  22.223  12.863
  826   1HB   LEU 120          1HB       LEU 120 -11.593  19.532  12.867
  827   2HB   LEU 120          2HB       LEU 120 -12.324  19.734  11.276
  828    HG   LEU 120           HG       LEU 120 -10.533  21.861  11.459
  829   1HD1  LEU 120          1HD1      LEU 120  -9.737  19.850  13.321
  830   2HD1  LEU 120          2HD1      LEU 120  -8.614  19.798  11.962
  831   3HD1  LEU 120          3HD1      LEU 120  -8.855  21.303  12.850
  832   1HD2  LEU 120          1HD2      LEU 120 -11.018  19.556   9.861
  833   2HD2  LEU 120          2HD2      LEU 120 -10.085  20.990   9.432
  834   3HD2  LEU 120          3HD2      LEU 120  -9.285  19.610  10.184
  835    H    ASP 121           H        ASP 121 -12.836  23.558  11.281
  836    HA   ASP 121           HA       ASP 121 -15.571  23.444  10.454
  837   1HB   ASP 121          1HB       ASP 121 -13.817  25.366  10.542
  838   2HB   ASP 121          2HB       ASP 121 -13.348  24.808   8.935
  839    H    TYR 122           H        TYR 122 -12.603  22.173   9.005
  840    HA   TYR 122           HA       TYR 122 -13.655  21.598   6.396
  841   1HB   TYR 122          1HB       TYR 122 -11.235  21.630   7.392
  842   2HB   TYR 122          2HB       TYR 122 -11.570  19.952   7.823
  843    HD1  TYR 122           HD1      TYR 122 -11.728  22.320   4.921
  844    HD2  TYR 122           HD2      TYR 122 -11.263  18.256   6.232
  845    HE1  TYR 122           HE1      TYR 122 -11.242  21.623   2.591
  846    HE2  TYR 122           HE2      TYR 122 -10.776  17.560   3.902
  847    HH   TYR 122           HH       TYR 122 -10.408  18.247   1.819
  848    H    LEU 123           H        LEU 123 -14.236  20.163   9.470
  849    HA   LEU 123           HA       LEU 123 -15.270  17.657   8.200
  850   1HB   LEU 123          1HB       LEU 123 -13.914  18.397  10.694
  851   2HB   LEU 123          2HB       LEU 123 -15.327  17.375  10.964
  852    HG   LEU 123           HG       LEU 123 -13.163  16.743   8.938
  853   1HD1  LEU 123          1HD1      LEU 123 -13.532  15.824  11.801
  854   2HD1  LEU 123          2HD1      LEU 123 -12.499  14.989  10.640
  855   3HD1  LEU 123          3HD1      LEU 123 -12.132  16.647  11.115
  856   1HD2  LEU 123          1HD2      LEU 123 -15.748  15.575   9.716
  857   2HD2  LEU 123          2HD2      LEU 123 -14.804  15.337   8.245
  858   3HD2  LEU 123          3HD2      LEU 123 -14.422  14.412   9.697
  859    H    GLN 124           H        GLN 124 -16.168  20.519  10.008
  860    HA   GLN 124           HA       GLN 124 -18.744  19.650  10.948
  861   1HB   GLN 124          1HB       GLN 124 -17.381  21.628  11.701
  862   2HB   GLN 124          2HB       GLN 124 -17.788  22.425  10.181
  863   1HG   GLN 124          2HG       GLN 124 -19.625  23.199  11.250
  864   2HG   GLN 124          1HG       GLN 124 -20.249  21.555  11.126
  865   2HE2  GLN 124          2HE2      GLN 124 -21.105  23.006  13.323
  866   1HE2  GLN 124          1HE2      GLN 124 -20.336  22.462  14.735
  867    H    ASN 125           H        ASN 125 -17.585  20.783   7.842
  868    HA   ASN 125           HA       ASN 125 -19.956  21.726   6.636
  869   1HB   ASN 125          1HB       ASN 125 -17.650  21.774   5.700
  870   2HB   ASN 125          2HB       ASN 125 -17.734  20.030   5.449
  871   2HD2  ASN 125          2HD2      ASN 125 -17.319  21.211   3.115
  872   1HD2  ASN 125          1HD2      ASN 125 -18.736  21.421   2.204
  873    H    ARG 126           H        ARG 126 -19.039  18.465   7.519
  874    HA   ARG 126           HA       ARG 126 -21.061  17.183   5.813
  875   1HB   ARG 126          1HB       ARG 126 -18.697  16.458   7.055
  876   2HB   ARG 126          2HB       ARG 126 -19.916  15.673   8.060
  877   1HG   ARG 126          1HG       ARG 126 -19.297  14.156   6.258
  878   2HG   ARG 126          2HG       ARG 126 -20.941  14.725   5.976
  879   1HD   ARG 126          1HD       ARG 126 -18.890  16.468   4.781
  880   2HD   ARG 126          2HD       ARG 126 -18.914  14.829   4.105
  881    HE   ARG 126           HE       ARG 126 -21.603  15.832   4.436
  882   1HH1  ARG 126          1HH1      ARG 126 -19.604  14.658   2.134
  883   2HH1  ARG 126          2HH1      ARG 126 -20.081  15.729   0.860
  884   1HH2  ARG 126          1HH2      ARG 126 -21.872  17.842   2.947
  885   2HH2  ARG 126          2HH2      ARG 126 -21.364  17.532   1.320
  886    H    VAL 127           H        VAL 127 -20.735  18.168   9.204
  887    HA   VAL 127           HA       VAL 127 -23.029  16.788  10.234
  888    HB   VAL 127           HB       VAL 127 -21.672  19.383  11.039
  889   1HG1  VAL 127          1HG1      VAL 127 -23.758  17.654  12.342
  890   2HG1  VAL 127          2HG1      VAL 127 -22.605  18.536  13.344
  891   3HG1  VAL 127          3HG1      VAL 127 -23.674  19.414  12.250
  892   1HG2  VAL 127          1HG2      VAL 127 -20.963  16.549  11.251
  893   2HG2  VAL 127          2HG2      VAL 127 -19.960  17.977  11.504
  894   3HG2  VAL 127          3HG2      VAL 127 -20.971  17.366  12.814
  895    H    ILE 128           H        ILE 128 -25.033  17.077   9.283
  896    HA   ILE 128           HA       ILE 128 -25.872  19.885   8.639
  897    HB   ILE 128           HB       ILE 128 -27.274  18.854   6.924
  898   1HG1  ILE 128          1HG1      ILE 128 -26.168  16.181   7.814
  899   2HG1  ILE 128          2HG1      ILE 128 -27.736  16.791   8.342
  900   1HG2  ILE 128          1HG2      ILE 128 -24.385  18.492   7.072
  901   2HG2  ILE 128          2HG2      ILE 128 -25.141  17.288   6.028
  902   3HG2  ILE 128          3HG2      ILE 128 -25.378  19.006   5.707
  903   1HD1  ILE 128          1HD1      ILE 128 -26.889  16.382   5.456
  904   2HD1  ILE 128          2HD1      ILE 128 -27.967  15.322   6.364
  905   3HD1  ILE 128          3HD1      ILE 128 -28.462  16.973   5.993

  No H/Q in entry =         905
  Start of MODEL    5
    1    H2   PRO   1           H2       PRO   1   2.490   6.974  31.376
    2    H3   PRO   1           H3       PRO   1   4.052   6.529  30.868
    3    HA   PRO   1           HA       PRO   1   3.944   8.099  29.315
    4   1HB   PRO   1          1HB       PRO   1   1.928   7.374  27.614
    5   2HB   PRO   1          2HB       PRO   1   3.472   6.505  27.707
    6   1HG   PRO   1          1HG       PRO   1   0.834   5.832  28.925
    7   2HG   PRO   1          2HG       PRO   1   2.026   4.769  28.163
    8   1HD   PRO   1          1HD       PRO   1   1.749   5.013  30.859
    9   2HD   PRO   1          2HD       PRO   1   3.290   4.612  30.073
   10    H    THR   2           H        THR   2   3.195  10.181  29.468
   11    HA   THR   2           HA       THR   2   0.398  10.610  30.448
   12    HB   THR   2           HB       THR   2   2.797  12.468  30.463
   13    HG1  THR   2           HG1      THR   2   1.791  10.669  32.406
   14   1HG2  THR   2          1HG2      THR   2   0.041  12.867  30.997
   15   2HG2  THR   2          2HG2      THR   2   0.869  12.879  32.554
   16   3HG2  THR   2          3HG2      THR   2   1.368  13.995  31.283
   17    H    VAL   3           H        VAL   3  -1.023  11.488  28.995
   18    HA   VAL   3           HA       VAL   3   0.107  12.922  26.611
   19    HB   VAL   3           HB       VAL   3  -2.430  11.273  26.834
   20   1HG1  VAL   3          1HG1      VAL   3  -1.334  13.050  24.830
   21   2HG1  VAL   3          2HG1      VAL   3  -1.455  11.410  24.193
   22   3HG1  VAL   3          3HG1      VAL   3  -2.886  12.212  24.839
   23   1HG2  VAL   3          1HG2      VAL   3   0.303  10.433  26.699
   24   2HG2  VAL   3          2HG2      VAL   3  -1.149   9.433  26.635
   25   3HG2  VAL   3          3HG2      VAL   3  -0.457  10.081  25.148
   26    H    GLU   4           H        GLU   4  -0.334  15.080  26.895
   27    HA   GLU   4           HA       GLU   4  -2.616  15.986  28.506
   28   1HB   GLU   4          1HB       GLU   4  -0.144  16.929  28.060
   29   2HB   GLU   4          2HB       GLU   4  -0.987  17.800  26.778
   30   1HG   GLU   4          1HG       GLU   4  -1.859  19.236  28.277
   31   2HG   GLU   4          2HG       GLU   4  -2.549  17.900  29.199
   32    H    TYR   5           H        TYR   5  -4.633  16.166  27.621
   33    HA   TYR   5           HA       TYR   5  -4.925  16.346  24.669
   34   1HB   TYR   5          2HB       TYR   5  -7.266  15.773  25.199
   35   2HB   TYR   5          1HB       TYR   5  -6.162  14.661  26.008
   36    HD1  TYR   5           HD1      TYR   5  -8.335  17.629  26.479
   37    HD2  TYR   5           HD2      TYR   5  -5.976  14.599  28.403
   38    HE1  TYR   5           HE1      TYR   5  -9.295  18.275  28.673
   39    HE2  TYR   5           HE2      TYR   5  -6.936  15.243  30.597
   40    HH   TYR   5           HH       TYR   5  -9.465  16.591  31.171
   41    H    LEU   6           H        LEU   6  -5.770  18.164  23.663
   42    HA   LEU   6           HA       LEU   6  -6.611  20.450  25.415
   43   1HB   LEU   6          1HB       LEU   6  -4.318  20.170  23.810
   44   2HB   LEU   6          2HB       LEU   6  -5.395  21.221  22.891
   45    HG   LEU   6           HG       LEU   6  -4.476  21.625  25.753
   46   1HD1  LEU   6          1HD1      LEU   6  -2.991  22.193  23.683
   47   2HD1  LEU   6          2HD1      LEU   6  -4.129  23.517  23.435
   48   3HD1  LEU   6          3HD1      LEU   6  -3.200  23.420  24.932
   49   1HD2  LEU   6          1HD2      LEU   6  -6.929  22.260  25.081
   50   2HD2  LEU   6          2HD2      LEU   6  -5.939  23.448  25.930
   51   3HD2  LEU   6          3HD2      LEU   6  -6.156  23.567  24.184
   52    H    ASN   7           H        ASN   7  -8.547  21.366  24.800
   53    HA   ASN   7           HA       ASN   7 -10.211  20.189  22.785
   54   1HB   ASN   7          1HB       ASN   7 -10.867  21.443  24.873
   55   2HB   ASN   7          2HB       ASN   7 -10.382  22.933  24.065
   56   2HD2  ASN   7          2HD2      ASN   7 -12.551  23.800  23.938
   57   1HD2  ASN   7          1HD2      ASN   7 -13.737  23.113  22.938
   58    H    TYR   8           H        TYR   8 -10.003  20.464  20.591
   59    HA   TYR   8           HA       TYR   8  -8.239  22.247  19.283
   60   1HB   TYR   8          1HB       TYR   8  -9.155  20.359  18.129
   61   2HB   TYR   8          2HB       TYR   8 -10.808  20.852  18.490
   62    HD1  TYR   8           HD1      TYR   8 -11.685  23.013  17.461
   63    HD2  TYR   8           HD2      TYR   8  -8.050  21.119  16.175
   64    HE1  TYR   8           HE1      TYR   8 -11.772  24.288  15.339
   65    HE2  TYR   8           HE2      TYR   8  -8.136  22.397  14.050
   66    HH   TYR   8           HH       TYR   8  -9.495  24.941  13.492
   67    H    GLU   9           H        GLU   9 -11.508  22.718  20.470
   68    HA   GLU   9           HA       GLU   9 -12.104  25.151  19.043
   69   1HB   GLU   9          1HB       GLU   9 -13.498  23.409  20.526
   70   2HB   GLU   9          2HB       GLU   9 -13.162  24.598  21.785
   71   1HG   GLU   9          1HG       GLU   9 -13.964  25.940  19.357
   72   2HG   GLU   9          2HG       GLU   9 -15.170  24.732  19.798
   73    H    THR  10           H        THR  10 -10.578  24.453  22.179
   74    HA   THR  10           HA       THR  10 -10.418  27.082  23.223
   75    HB   THR  10           HB       THR  10  -8.547  24.696  23.371
   76    HG1  THR  10           HG1      THR  10  -9.647  24.475  25.399
   77   1HG2  THR  10          1HG2      THR  10  -8.648  27.225  25.037
   78   2HG2  THR  10          2HG2      THR  10  -7.735  25.781  25.478
   79   3HG2  THR  10          3HG2      THR  10  -7.311  26.681  24.022
   80    H    LEU  11           H        LEU  11  -8.412  25.407  20.827
   81    HA   LEU  11           HA       LEU  11  -6.370  27.463  20.659
   82   1HB   LEU  11          1HB       LEU  11  -5.865  25.231  19.958
   83   2HB   LEU  11          2HB       LEU  11  -7.292  25.160  18.923
   84    HG   LEU  11           HG       LEU  11  -6.330  26.897  17.463
   85   1HD1  LEU  11          1HD1      LEU  11  -4.994  27.892  19.447
   86   2HD1  LEU  11          2HD1      LEU  11  -3.778  26.673  19.061
   87   3HD1  LEU  11          3HD1      LEU  11  -4.220  27.890  17.862
   88   1HD2  LEU  11          1HD2      LEU  11  -5.765  24.379  17.266
   89   2HD2  LEU  11          2HD2      LEU  11  -4.736  25.514  16.393
   90   3HD2  LEU  11          3HD2      LEU  11  -4.187  24.820  17.919
   91    H    ASP  12           H        ASP  12  -9.417  26.812  18.966
   92    HA   ASP  12           HA       ASP  12  -9.023  28.929  16.984
   93   1HB   ASP  12          1HB       ASP  12 -10.929  26.800  17.674
   94   2HB   ASP  12          2HB       ASP  12 -11.706  28.250  17.039
   95    H    ASP  13           H        ASP  13 -11.455  28.485  19.587
   96    HA   ASP  13           HA       ASP  13 -12.603  31.024  19.608
   97   1HB   ASP  13          1HB       ASP  13 -12.742  28.763  21.109
   98   2HB   ASP  13          2HB       ASP  13 -11.929  29.837  22.247
   99    H    GLN  14           H        GLN  14  -9.707  30.018  21.469
  100    HA   GLN  14           HA       GLN  14  -9.163  32.727  22.398
  101   1HB   GLN  14          1HB       GLN  14  -8.573  30.303  23.314
  102   2HB   GLN  14          2HB       GLN  14  -7.131  30.524  22.323
  103   1HG   GLN  14          1HG       GLN  14  -6.236  31.927  23.842
  104   2HG   GLN  14          2HG       GLN  14  -7.685  32.932  23.826
  105   2HE2  GLN  14          2HE2      GLN  14  -6.551  29.776  25.174
  106   1HE2  GLN  14          1HE2      GLN  14  -7.423  29.918  26.624
  107    H    GLY  15           H        GLY  15  -8.482  30.957  19.514
  108   1HA   GLY  15          2HA       GLY  15  -7.280  33.177  18.193
  109   2HA   GLY  15          1HA       GLY  15  -7.230  31.513  17.610
  110    H    TRP  16           H        TRP  16  -5.863  30.389  19.868
  111    HA   TRP  16           HA       TRP  16  -3.353  31.865  20.251
  112   1HB   TRP  16          1HB       TRP  16  -4.798  29.584  21.345
  113   2HB   TRP  16          2HB       TRP  16  -3.088  29.212  21.126
  114    HD1  TRP  16           HD1      TRP  16  -2.441  29.354  23.662
  115    HE1  TRP  16           HE1      TRP  16  -2.253  31.320  25.321
  116    HE3  TRP  16           HE3      TRP  16  -4.849  32.987  21.001
  117    HZ2  TRP  16           HZ2      TRP  16  -3.023  34.069  25.495
  118    HZ3  TRP  16           HZ3      TRP  16  -5.108  35.267  21.936
  119    HH2  TRP  16           HH2      TRP  16  -4.200  35.812  24.177
  120    H    ASP  17           H        ASP  17  -1.322  30.201  19.993
  121    HA   ASP  17           HA       ASP  17  -1.217  29.605  17.091
  122   1HB   ASP  17          1HB       ASP  17   0.549  30.484  19.197
  123   2HB   ASP  17          2HB       ASP  17   1.226  29.050  18.429
  124    H    MET  18           H        MET  18   0.153  27.530  16.581
  125    HA   MET  18           HA       MET  18  -1.262  25.240  17.709
  126   1HB   MET  18          1HB       MET  18  -0.630  25.451  15.332
  127   2HB   MET  18          2HB       MET  18   1.074  25.494  15.785
  128   1HG   MET  18          1HG       MET  18   0.700  23.231  16.903
  129   2HG   MET  18          2HG       MET  18  -0.867  23.191  16.092
  130   1HE   MET  18          1HE       MET  18  -1.187  23.510  13.552
  131   2HE   MET  18          2HE       MET  18  -0.096  24.891  13.483
  132   3HE   MET  18          3HE       MET  18   0.102  23.546  12.351
  133    H    ASP  19           H        ASP  19   2.172  26.285  17.670
  134    HA   ASP  19           HA       ASP  19   2.576  24.654  20.155
  135   1HB   ASP  19          1HB       ASP  19   3.523  23.447  18.308
  136   2HB   ASP  19          2HB       ASP  19   4.249  24.911  17.645
  137    H    ASP  20           H        ASP  20   2.700  27.711  18.755
  138    HA   ASP  20           HA       ASP  20   5.107  28.746  20.024
  139   1HB   ASP  20          1HB       ASP  20   3.616  29.538  17.981
  140   2HB   ASP  20          2HB       ASP  20   2.746  30.421  19.234
  141    H    ASP  21           H        ASP  21   1.631  29.393  20.668
  142    HA   ASP  21           HA       ASP  21   2.115  30.644  23.218
  143   1HB   ASP  21          1HB       ASP  21  -0.269  29.426  21.813
  144   2HB   ASP  21          2HB       ASP  21  -0.413  30.172  23.405
  145    H    ASP  22           H        ASP  22   2.106  27.363  22.224
  146    HA   ASP  22           HA       ASP  22   2.146  25.336  23.439
  147   1HB   ASP  22          1HB       ASP  22   3.800  27.325  24.587
  148   2HB   ASP  22          2HB       ASP  22   3.019  26.502  25.938
  149    H    LEU  23           H        LEU  23  -0.408  26.307  23.378
  150    HA   LEU  23           HA       LEU  23  -1.840  27.029  25.619
  151   1HB   LEU  23          1HB       LEU  23  -2.376  24.883  23.547
  152   2HB   LEU  23          2HB       LEU  23  -3.607  25.459  24.671
  153    HG   LEU  23           HG       LEU  23  -2.092  27.546  23.187
  154   1HD1  LEU  23          1HD1      LEU  23  -2.815  25.488  21.642
  155   2HD1  LEU  23          2HD1      LEU  23  -4.387  26.281  21.750
  156   3HD1  LEU  23          3HD1      LEU  23  -3.000  27.155  21.099
  157   1HD2  LEU  23          1HD2      LEU  23  -4.959  27.064  24.033
  158   2HD2  LEU  23          2HD2      LEU  23  -3.829  28.252  24.682
  159   3HD2  LEU  23          3HD2      LEU  23  -4.473  28.446  23.051
  160    H    PHE  24           H        PHE  24  -0.345  23.874  25.008
  161    HA   PHE  24           HA       PHE  24  -1.539  22.366  27.098
  162   1HB   PHE  24          1HB       PHE  24   1.122  22.353  25.672
  163   2HB   PHE  24          2HB       PHE  24   0.771  21.170  26.932
  164    HD1  PHE  24           HD1      PHE  24  -1.828  20.244  26.671
  165    HD2  PHE  24           HD2      PHE  24   0.757  21.582  23.512
  166    HE1  PHE  24           HE1      PHE  24  -3.118  18.891  25.042
  167    HE2  PHE  24           HE2      PHE  24  -0.533  20.229  21.883
  168    HZ   PHE  24           HZ       PHE  24  -2.470  18.882  22.647
  169    H    GLU  25           H        GLU  25   0.682  25.011  27.242
  170    HA   GLU  25           HA       GLU  25   1.325  24.368  30.101
  171   1HB   GLU  25          1HB       GLU  25   2.949  24.920  27.920
  172   2HB   GLU  25          2HB       GLU  25   2.867  26.471  28.756
  173   1HG   GLU  25          1HG       GLU  25   4.609  25.508  29.930
  174   2HG   GLU  25          2HG       GLU  25   3.255  24.916  30.894
  175    H    LYS  26           H        LYS  26   0.347  26.976  27.871
  176    HA   LYS  26           HA       LYS  26   0.020  28.956  29.983
  177   1HB   LYS  26          1HB       LYS  26  -0.826  28.714  27.084
  178   2HB   LYS  26          2HB       LYS  26  -1.151  30.153  28.050
  179   1HG   LYS  26          1HG       LYS  26   1.639  29.043  27.951
  180   2HG   LYS  26          2HG       LYS  26   1.049  30.024  26.609
  181   1HD   LYS  26          1HD       LYS  26   1.672  31.810  27.857
  182   2HD   LYS  26          2HD       LYS  26   0.241  31.469  28.829
  183   1HE   LYS  26          1HE       LYS  26   2.100  31.571  30.367
  184   2HE   LYS  26          2HE       LYS  26   1.723  29.848  30.169
  185   1HZ   LYS  26          1HZ       LYS  26   3.505  31.021  28.188
  186   2HZ   LYS  26          2HZ       LYS  26   4.152  30.863  29.749
  187   3HZ   LYS  26          3HZ       LYS  26   3.566  29.495  28.929
  188    H    ALA  27           H        ALA  27  -1.975  26.460  28.572
  189    HA   ALA  27           HA       ALA  27  -4.566  27.487  29.239
  190   1HB   ALA  27          1HB       ALA  27  -4.076  25.620  27.688
  191   2HB   ALA  27          2HB       ALA  27  -3.517  24.644  29.046
  192   3HB   ALA  27          3HB       ALA  27  -5.213  25.119  28.939
  193    H    ALA  28           H        ALA  28  -2.174  25.631  31.094
  194    HA   ALA  28           HA       ALA  28  -3.811  24.915  33.315
  195   1HB   ALA  28          1HB       ALA  28  -0.885  25.675  33.412
  196   2HB   ALA  28          3HB       ALA  28  -1.439  24.192  32.635
  197   3HB   ALA  28          2HB       ALA  28  -1.716  24.440  34.359
  198    H    ASP  29           H        ASP  29  -2.229  27.938  32.463
  199    HA   ASP  29           HA       ASP  29  -2.784  29.125  35.121
  200   1HB   ASP  29          1HB       ASP  29  -0.794  29.404  33.270
  201   2HB   ASP  29          2HB       ASP  29  -1.820  30.780  32.862
  202    H    ALA  30           H        ALA  30  -4.030  29.164  31.831
  203    HA   ALA  30           HA       ALA  30  -5.680  31.521  32.101
  204   1HB   ALA  30          1HB       ALA  30  -5.994  29.099  30.301
  205   2HB   ALA  30          3HB       ALA  30  -4.879  30.429  29.981
  206   3HB   ALA  30          2HB       ALA  30  -6.619  30.721  29.999
  207    H    GLY  31           H        GLY  31  -6.201  28.065  32.679
  208   1HA   GLY  31          2HA       GLY  31  -8.570  28.719  34.308
  209   2HA   GLY  31          1HA       GLY  31  -7.798  27.137  34.193
  210    H    LEU  32           H        LEU  32  -7.952  26.207  31.823
  211    HA   LEU  32           HA       LEU  32 -10.454  26.961  30.431
  212   1HB   LEU  32          1HB       LEU  32  -7.968  25.430  29.925
  213   2HB   LEU  32          2HB       LEU  32  -9.407  24.802  29.122
  214    HG   LEU  32           HG       LEU  32  -8.189  26.490  27.737
  215   1HD1  LEU  32          1HD1      LEU  32 -10.844  26.157  27.997
  216   2HD1  LEU  32          2HD1      LEU  32 -10.733  27.846  28.496
  217   3HD1  LEU  32          3HD1      LEU  32 -10.152  27.356  26.904
  218   1HD2  LEU  32          1HD2      LEU  32  -7.730  27.805  30.041
  219   2HD2  LEU  32          2HD2      LEU  32  -7.741  28.620  28.477
  220   3HD2  LEU  32          3HD2      LEU  32  -9.170  28.673  29.509
  221    H    ASP  33           H        ASP  33 -11.804  24.947  29.674
  222    HA   ASP  33           HA       ASP  33 -12.889  23.646  32.006
  223   1HB   ASP  33          1HB       ASP  33 -13.282  23.710  29.064
  224   2HB   ASP  33          2HB       ASP  33 -13.885  22.270  29.884
  225    H    GLY  34           H        GLY  34 -12.469  21.600  32.824
  226   1HA   GLY  34          2HA       GLY  34 -11.362  19.555  33.135
  227   2HA   GLY  34          1HA       GLY  34 -10.020  20.288  32.263
  228    H    GLU  35           H        GLU  35 -13.317  19.511  31.171
  229    HA   GLU  35           HA       GLU  35 -12.688  17.172  29.679
  230   1HB   GLU  35          1HB       GLU  35 -14.752  19.295  29.028
  231   2HB   GLU  35          2HB       GLU  35 -14.847  17.570  28.668
  232   1HG   GLU  35          1HG       GLU  35 -14.581  17.289  31.263
  233   2HG   GLU  35          2HG       GLU  35 -15.115  18.969  31.318
  234    H    ASP  36           H        ASP  36 -11.890  20.474  29.083
  235    HA   ASP  36           HA       ASP  36 -11.484  20.020  26.168
  236   1HB   ASP  36          1HB       ASP  36 -11.472  22.382  28.050
  237   2HB   ASP  36          2HB       ASP  36 -10.851  22.529  26.406
  238    H    TYR  37           H        TYR  37  -9.597  21.256  28.960
  239    HA   TYR  37           HA       TYR  37  -7.126  20.226  27.599
  240   1HB   TYR  37          1HB       TYR  37  -7.047  22.589  27.523
  241   2HB   TYR  37          2HB       TYR  37  -7.767  22.749  29.124
  242    HD1  TYR  37           HD1      TYR  37  -4.858  20.818  27.734
  243    HD2  TYR  37           HD2      TYR  37  -6.263  23.626  30.664
  244    HE1  TYR  37           HE1      TYR  37  -2.595  20.895  28.747
  245    HE2  TYR  37           HE2      TYR  37  -4.000  23.703  31.677
  246    HH   TYR  37           HH       TYR  37  -1.954  21.986  31.729
  247    H    GLY  38           H        GLY  38  -5.635  19.132  28.939
  248   1HA   GLY  38          2HA       GLY  38  -6.707  18.033  31.421
  249   2HA   GLY  38          1HA       GLY  38  -5.352  19.131  31.684
  250    H    THR  39           H        THR  39  -4.367  17.045  32.529
  251    HA   THR  39           HA       THR  39  -2.727  15.833  30.394
  252    HB   THR  39           HB       THR  39  -2.702  15.273  33.368
  253    HG1  THR  39           HG1      THR  39  -1.780  17.149  33.693
  254   1HG2  THR  39          1HG2      THR  39  -1.013  14.661  31.065
  255   2HG2  THR  39          2HG2      THR  39  -0.117  15.444  32.366
  256   3HG2  THR  39          3HG2      THR  39  -1.005  13.954  32.680
  257    H    MET  40           H        MET  40  -3.438  13.990  29.403
  258    HA   MET  40           HA       MET  40  -5.512  12.314  30.678
  259   1HB   MET  40          1HB       MET  40  -4.855  13.115  28.102
  260   2HB   MET  40          2HB       MET  40  -4.319  11.435  28.144
  261   1HG   MET  40          1HG       MET  40  -6.627  10.946  29.221
  262   2HG   MET  40          2HG       MET  40  -7.086  12.539  28.621
  263   1HE   MET  40          1HE       MET  40  -7.472   9.311  28.335
  264   2HE   MET  40          2HE       MET  40  -7.700   8.835  26.655
  265   3HE   MET  40          3HE       MET  40  -6.095   8.747  27.379
  266    H    GLU  41           H        GLU  41  -4.334  11.266  32.390
  267    HA   GLU  41           HA       GLU  41  -1.790   9.972  32.054
  268   1HB   GLU  41          1HB       GLU  41  -3.980  10.183  34.009
  269   2HB   GLU  41          2HB       GLU  41  -3.119   8.645  34.082
  270   1HG   GLU  41          1HG       GLU  41  -1.732  11.339  34.061
  271   2HG   GLU  41          2HG       GLU  41  -2.135  10.464  35.539
  272    H    VAL  42           H        VAL  42  -1.450   8.256  30.688
  273    HA   VAL  42           HA       VAL  42  -3.666   6.255  30.373
  274    HB   VAL  42           HB       VAL  42  -1.468   7.149  28.480
  275   1HG1  VAL  42          1HG1      VAL  42  -3.670   5.086  28.213
  276   2HG1  VAL  42          2HG1      VAL  42  -2.788   5.743  26.834
  277   3HG1  VAL  42          3HG1      VAL  42  -1.933   4.820  28.071
  278   1HG2  VAL  42          1HG2      VAL  42  -3.561   8.631  29.002
  279   2HG2  VAL  42          2HG2      VAL  42  -3.117   8.348  27.319
  280   3HG2  VAL  42          3HG2      VAL  42  -4.434   7.429  28.050
  281    H    ALA  43           H        ALA  43  -3.156   4.151  30.905
  282    HA   ALA  43           HA       ALA  43  -0.558   3.571  32.116
  283   1HB   ALA  43          1HB       ALA  43  -3.001   2.758  32.659
  284   2HB   ALA  43          3HB       ALA  43  -1.654   1.638  32.863
  285   3HB   ALA  43          2HB       ALA  43  -2.669   1.543  31.424
  286    H    GLU  44           H        GLU  44   0.784   1.725  31.389
  287    HA   GLU  44           HA       GLU  44   1.485   1.841  28.621
  288   1HB   GLU  44          1HB       GLU  44   2.090   0.090  30.987
  289   2HB   GLU  44          2HB       GLU  44   2.693  -0.374  29.396
  290   1HG   GLU  44          1HG       GLU  44   3.565   2.056  29.233
  291   2HG   GLU  44          2HG       GLU  44   3.297   2.126  30.976
  292    H    GLY  45           H        GLY  45   0.359   0.963  26.934
  293   1HA   GLY  45          2HA       GLY  45  -0.749  -1.752  27.175
  294   2HA   GLY  45          1HA       GLY  45  -0.661  -0.796  25.695
  295    H    GLU  46           H        GLU  46  -1.868   1.331  27.834
  296    HA   GLU  46           HA       GLU  46  -4.667   0.381  27.879
  297   1HB   GLU  46          1HB       GLU  46  -3.233   1.723  29.652
  298   2HB   GLU  46          2HB       GLU  46  -3.730   3.117  28.692
  299   1HG   GLU  46          1HG       GLU  46  -5.987   2.828  29.197
  300   2HG   GLU  46          2HG       GLU  46  -5.795   1.108  29.532
  301    H    TYR  47           H        TYR  47  -6.125   0.939  26.304
  302    HA   TYR  47           HA       TYR  47  -5.408   2.398  23.952
  303   1HB   TYR  47          2HB       TYR  47  -8.195   2.002  25.070
  304   2HB   TYR  47          1HB       TYR  47  -7.712   2.072  23.375
  305    HD1  TYR  47           HD1      TYR  47  -5.136   0.376  23.798
  306    HD2  TYR  47           HD2      TYR  47  -9.242  -0.189  24.923
  307    HE1  TYR  47           HE1      TYR  47  -4.798  -2.081  23.799
  308    HE2  TYR  47           HE2      TYR  47  -8.905  -2.646  24.924
  309    HH   TYR  47           HH       TYR  47  -6.671  -4.192  25.274
  310    H    ILE  48           H        ILE  48  -5.478   4.592  23.522
  311    HA   ILE  48           HA       ILE  48  -5.619   6.557  25.533
  312    HB   ILE  48           HB       ILE  48  -6.261   6.688  22.570
  313   1HG1  ILE  48          1HG1      ILE  48  -3.717   7.178  24.149
  314   2HG1  ILE  48          2HG1      ILE  48  -4.019   5.827  23.055
  315   1HG2  ILE  48          1HG2      ILE  48  -7.051   8.645  24.033
  316   2HG2  ILE  48          2HG2      ILE  48  -5.344   8.960  24.341
  317   3HG2  ILE  48          3HG2      ILE  48  -5.975   9.050  22.697
  318   1HD1  ILE  48          1HD1      ILE  48  -4.167   8.716  22.163
  319   2HD1  ILE  48          2HD1      ILE  48  -2.685   7.764  22.068
  320   3HD1  ILE  48          3HD1      ILE  48  -4.108   7.275  21.148
  321    H    LEU  49           H        LEU  49  -8.177   5.993  23.076
  322    HA   LEU  49           HA       LEU  49 -10.201   7.563  24.197
  323   1HB   LEU  49          1HB       LEU  49 -10.482   6.574  22.050
  324   2HB   LEU  49          2HB       LEU  49 -10.199   4.951  22.675
  325    HG   LEU  49           HG       LEU  49 -12.298   5.131  24.003
  326   1HD1  LEU  49          1HD1      LEU  49 -12.608   7.742  22.487
  327   2HD1  LEU  49          2HD1      LEU  49 -13.836   7.006  23.517
  328   3HD1  LEU  49          3HD1      LEU  49 -12.328   7.587  24.222
  329   1HD2  LEU  49          1HD2      LEU  49 -12.276   5.407  21.015
  330   2HD2  LEU  49          2HD2      LEU  49 -12.704   4.009  22.003
  331   3HD2  LEU  49          3HD2      LEU  49 -13.825   5.362  21.856
  332    H    GLU  50           H        GLU  50  -8.982   4.471  25.316
  333    HA   GLU  50           HA       GLU  50 -11.272   3.879  27.036
  334   1HB   GLU  50          1HB       GLU  50  -9.871   2.113  26.118
  335   2HB   GLU  50          2HB       GLU  50  -8.431   2.832  26.837
  336   1HG   GLU  50          1HG       GLU  50  -8.853   1.334  28.511
  337   2HG   GLU  50          2HG       GLU  50  -9.985   2.575  29.048
  338    H    ALA  51           H        ALA  51  -7.903   4.974  27.620
  339    HA   ALA  51           HA       ALA  51  -8.062   5.317  30.419
  340   1HB   ALA  51          1HB       ALA  51  -6.128   6.745  30.089
  341   2HB   ALA  51          2HB       ALA  51  -6.055   5.462  28.883
  342   3HB   ALA  51          3HB       ALA  51  -6.603   7.074  28.423
  343    H    ALA  52           H        ALA  52  -9.070   7.459  27.795
  344    HA   ALA  52           HA       ALA  52  -9.811   9.657  29.582
  345   1HB   ALA  52          1HB       ALA  52  -9.761   9.000  26.690
  346   2HB   ALA  52          3HB       ALA  52 -11.002  10.155  27.177
  347   3HB   ALA  52          2HB       ALA  52  -9.303  10.493  27.509
  348    H    GLU  53           H        GLU  53 -11.369   6.844  28.192
  349    HA   GLU  53           HA       GLU  53 -14.105   7.659  28.435
  350   1HB   GLU  53          1HB       GLU  53 -12.504   5.256  27.967
  351   2HB   GLU  53          2HB       GLU  53 -13.988   4.910  28.853
  352   1HG   GLU  53          1HG       GLU  53 -15.015   6.546  26.997
  353   2HG   GLU  53          2HG       GLU  53 -13.630   5.953  26.080
  354    H    ALA  54           H        ALA  54 -11.864   6.107  30.694
  355    HA   ALA  54           HA       ALA  54 -13.786   5.631  32.792
  356   1HB   ALA  54          1HB       ALA  54 -10.836   6.129  33.176
  357   2HB   ALA  54          3HB       ALA  54 -11.398   4.687  32.330
  358   3HB   ALA  54          2HB       ALA  54 -11.871   4.969  34.006
  359    H    GLN  55           H        GLN  55 -12.233   8.482  31.645
  360    HA   GLN  55           HA       GLN  55 -12.596   9.921  34.226
  361   1HB   GLN  55          1HB       GLN  55 -11.378  10.680  31.550
  362   2HB   GLN  55          2HB       GLN  55 -11.364  11.704  32.984
  363   1HG   GLN  55          1HG       GLN  55 -10.160   9.882  34.210
  364   2HG   GLN  55          2HG       GLN  55 -10.076   8.975  32.699
  365   2HE2  GLN  55          2HE2      GLN  55  -9.593  12.487  33.390
  366   1HE2  GLN  55          1HE2      GLN  55  -8.045  12.559  32.697
  367    H    GLY  56           H        GLY  56 -14.403   9.194  31.496
  368   1HA   GLY  56          2HA       GLY  56 -16.338  11.318  32.109
  369   2HA   GLY  56          1HA       GLY  56 -16.575  10.000  30.960
  370    H    TYR  57           H        TYR  57 -14.164  10.414  29.459
  371    HA   TYR  57           HA       TYR  57 -14.286  13.192  28.442
  372   1HB   TYR  57          1HB       TYR  57 -12.582  10.738  27.993
  373   2HB   TYR  57          2HB       TYR  57 -12.431  12.148  26.946
  374    HD1  TYR  57           HD1      TYR  57 -13.456  12.861  30.344
  375    HD2  TYR  57           HD2      TYR  57 -10.037  12.252  27.814
  376    HE1  TYR  57           HE1      TYR  57 -12.010  13.959  32.032
  377    HE2  TYR  57           HE2      TYR  57  -8.593  13.351  29.502
  378    HH   TYR  57           HH       TYR  57  -8.727  14.834  31.348
  379    H    ASP  58           H        ASP  58 -14.519  13.505  26.038
  380    HA   ASP  58           HA       ASP  58 -16.179  11.380  24.734
  381   1HB   ASP  58          1HB       ASP  58 -17.603  13.340  23.924
  382   2HB   ASP  58          2HB       ASP  58 -17.716  12.986  25.647
  383    H    TRP  59           H        TRP  59 -15.571  11.025  22.617
  384    HA   TRP  59           HA       TRP  59 -13.849  13.097  21.295
  385   1HB   TRP  59          1HB       TRP  59 -13.581  10.086  21.091
  386   2HB   TRP  59          2HB       TRP  59 -12.435  11.301  20.524
  387    HD1  TRP  59           HD1      TRP  59 -13.981  10.032  23.823
  388    HE1  TRP  59           HE1      TRP  59 -12.278  10.428  25.716
  389    HE3  TRP  59           HE3      TRP  59 -10.331  12.482  21.226
  390    HZ2  TRP  59           HZ2      TRP  59  -9.706  11.624  26.081
  391    HZ3  TRP  59           HZ3      TRP  59  -8.266  13.237  22.371
  392    HH2  TRP  59           HH2      TRP  59  -7.950  12.811  24.793
  393    HA   PRO  60           HA       PRO  60 -16.824  12.616  18.058
  394   1HB   PRO  60          1HB       PRO  60 -15.509  14.086  16.165
  395   2HB   PRO  60          2HB       PRO  60 -16.364  14.821  17.534
  396   1HG   PRO  60          2HG       PRO  60 -13.455  14.373  17.129
  397   2HG   PRO  60          1HG       PRO  60 -14.291  15.707  17.935
  398   1HD   PRO  60          1HD       PRO  60 -13.043  13.606  19.228
  399   2HD   PRO  60          2HD       PRO  60 -14.307  14.629  19.940
  400    H    PHE  61           H        PHE  61 -16.583  12.091  15.527
  401    HA   PHE  61           HA       PHE  61 -14.579   9.868  15.284
  402   1HB   PHE  61          1HB       PHE  61 -16.363   9.043  13.601
  403   2HB   PHE  61          2HB       PHE  61 -16.789   8.983  15.312
  404    HD1  PHE  61           HD1      PHE  61 -17.123  11.037  12.217
  405    HD2  PHE  61           HD2      PHE  61 -18.609  10.239  16.168
  406    HE1  PHE  61           HE1      PHE  61 -19.054  12.534  11.793
  407    HE2  PHE  61           HE2      PHE  61 -20.540  11.736  15.744
  408    HZ   PHE  61           HZ       PHE  61 -20.762  12.884  13.557
  409    H    SER  62           H        SER  62 -14.090   9.422  12.851
  410    HA   SER  62           HA       SER  62 -14.356  11.592  10.949
  411   1HB   SER  62          1HB       SER  62 -12.182  11.579  12.918
  412   2HB   SER  62          2HB       SER  62 -11.602  11.697  11.258
  413    HG   SER  62           HG       SER  62 -12.249  13.673  11.259
  414    H    CYS  63           H        CYS  63 -12.490   8.756  12.006
  415    HA   CYS  63           HA       CYS  63 -11.527   8.141   9.323
  416   1HB   CYS  63          1HB       CYS  63 -10.270   6.581  10.457
  417   2HB   CYS  63          2HB       CYS  63 -10.735   7.564  11.841
  418    H    ARG  64           H        ARG  64 -12.058   5.806   8.469
  419    HA   ARG  64           HA       ARG  64 -15.000   5.298   8.771
  420   1HB   ARG  64          2HB       ARG  64 -15.057   4.943   6.350
  421   2HB   ARG  64          1HB       ARG  64 -14.350   6.522   6.688
  422   1HG   ARG  64          1HG       ARG  64 -12.163   5.776   6.210
  423   2HG   ARG  64          2HG       ARG  64 -12.609   4.078   6.382
  424   1HD   ARG  64          2HD       ARG  64 -13.592   5.925   4.171
  425   2HD   ARG  64          1HD       ARG  64 -12.348   4.673   3.988
  426    HE   ARG  64           HE       ARG  64 -15.223   4.153   4.630
  427   1HH1  ARG  64          1HH1      ARG  64 -12.786   3.384   2.523
  428   2HH1  ARG  64          2HH1      ARG  64 -12.944   1.664   2.657
  429   1HH2  ARG  64          1HH2      ARG  64 -15.124   1.808   5.351
  430   2HH2  ARG  64          2HH2      ARG  64 -14.266   0.772   4.259
  431    H    ALA  65           H        ALA  65 -12.353   4.001   9.799
  432    HA   ALA  65           HA       ALA  65 -12.803   1.255   8.683
  433   1HB   ALA  65          1HB       ALA  65 -10.549   2.352   8.484
  434   2HB   ALA  65          3HB       ALA  65 -10.462   2.393  10.246
  435   3HB   ALA  65          2HB       ALA  65 -10.510   0.847   9.401
  436    H    GLY  66           H        GLY  66 -13.626  -0.288  10.058
  437   1HA   GLY  66          2HA       GLY  66 -13.205  -0.180  12.937
  438   2HA   GLY  66          1HA       GLY  66 -14.194  -1.364  12.081
  439    H    ALA  67           H        ALA  67 -15.369  -0.569  14.307
  440    HA   ALA  67           HA       ALA  67 -17.701   0.940  13.391
  441   1HB   ALA  67          1HB       ALA  67 -17.986   0.531  16.091
  442   2HB   ALA  67          2HB       ALA  67 -16.839  -0.739  15.662
  443   3HB   ALA  67          3HB       ALA  67 -18.407  -0.658  14.858
  444    H    CYS  68           H        CYS  68 -16.473   3.004  12.986
  445    HA   CYS  68           HA       CYS  68 -15.114   4.506  14.971
  446   1HB   CYS  68          1HB       CYS  68 -15.559   4.793  12.383
  447   2HB   CYS  68          2HB       CYS  68 -16.923   5.768  12.929
  448    H    ALA  69           H        ALA  69 -15.936   5.149  16.928
  449    HA   ALA  69           HA       ALA  69 -18.833   5.937  17.051
  450   1HB   ALA  69          1HB       ALA  69 -18.969   4.824  19.118
  451   2HB   ALA  69          3HB       ALA  69 -17.900   3.770  18.193
  452   3HB   ALA  69          2HB       ALA  69 -17.226   4.892  19.374
  453    H    ASN  70           H        ASN  70 -15.790   6.336  18.917
  454    HA   ASN  70           HA       ASN  70 -16.050   9.268  18.807
  455   1HB   ASN  70          1HB       ASN  70 -16.073   9.262  21.403
  456   2HB   ASN  70          2HB       ASN  70 -17.584   8.885  20.576
  457   2HD2  ASN  70          2HD2      ASN  70 -18.503   6.826  20.957
  458   1HD2  ASN  70          1HD2      ASN  70 -17.753   5.608  21.870
  459    H    CYS  71           H        CYS  71 -13.916   9.499  18.127
  460    HA   CYS  71           HA       CYS  71 -11.779   9.396  19.995
  461   1HB   CYS  71          1HB       CYS  71 -10.634   7.358  18.724
  462   2HB   CYS  71          2HB       CYS  71 -11.738   7.072  20.064
  463    H    ALA  72           H        ALA  72 -11.414  11.407  18.879
  464    HA   ALA  72           HA       ALA  72  -9.736  11.124  16.462
  465   1HB   ALA  72          1HB       ALA  72 -12.335  11.373  16.004
  466   2HB   ALA  72          3HB       ALA  72 -12.018  13.073  16.356
  467   3HB   ALA  72          2HB       ALA  72 -11.175  12.275  15.028
  468    H    SER  73           H        SER  73  -7.969  12.212  17.310
  469    HA   SER  73           HA       SER  73  -8.470  14.946  18.437
  470   1HB   SER  73          1HB       SER  73  -6.269  13.063  19.298
  471   2HB   SER  73          2HB       SER  73  -6.894  14.473  20.155
  472    HG   SER  73           HG       SER  73  -7.650  12.000  20.449
  473    H    ILE  74           H        ILE  74  -6.073  16.002  18.598
  474    HA   ILE  74           HA       ILE  74  -4.750  15.623  15.938
  475    HB   ILE  74           HB       ILE  74  -5.913  17.965  17.360
  476   1HG1  ILE  74          1HG1      ILE  74  -6.238  18.715  15.012
  477   2HG1  ILE  74          2HG1      ILE  74  -5.334  17.306  14.458
  478   1HG2  ILE  74          1HG2      ILE  74  -3.200  18.031  16.069
  479   2HG2  ILE  74          2HG2      ILE  74  -4.262  19.431  15.942
  480   3HG2  ILE  74          3HG2      ILE  74  -3.754  18.849  17.528
  481   1HD1  ILE  74          1HD1      ILE  74  -7.483  16.626  16.336
  482   2HD1  ILE  74          2HD1      ILE  74  -8.072  17.394  14.863
  483   3HD1  ILE  74          3HD1      ILE  74  -7.104  15.923  14.764
  484    H    VAL  75           H        VAL  75  -3.145  14.262  16.986
  485    HA   VAL  75           HA       VAL  75  -1.735  14.795  19.357
  486    HB   VAL  75           HB       VAL  75  -1.584  12.715  18.089
  487   1HG1  VAL  75          1HG1      VAL  75  -1.143  14.528  15.916
  488   2HG1  VAL  75          2HG1      VAL  75   0.237  13.433  16.014
  489   3HG1  VAL  75          3HG1      VAL  75  -1.394  12.783  15.849
  490   1HG2  VAL  75          1HG2      VAL  75   0.561  14.024  19.264
  491   2HG2  VAL  75          2HG2      VAL  75   0.531  12.323  18.801
  492   3HG2  VAL  75          3HG2      VAL  75   1.206  13.525  17.700
  493    H    LYS  76           H        LYS  76  -0.818  16.786  19.807
  494    HA   LYS  76           HA       LYS  76   0.395  18.417  17.681
  495   1HB   LYS  76          1HB       LYS  76  -0.774  18.775  20.228
  496   2HB   LYS  76          2HB       LYS  76   0.907  19.279  20.397
  497   1HG   LYS  76          2HG       LYS  76   0.159  21.250  19.530
  498   2HG   LYS  76          1HG       LYS  76   0.262  20.400  17.987
  499   1HD   LYS  76          1HD       LYS  76  -2.122  19.638  18.354
  500   2HD   LYS  76          2HD       LYS  76  -2.187  20.722  19.743
  501   1HE   LYS  76          1HE       LYS  76  -1.726  22.652  18.307
  502   2HE   LYS  76          2HE       LYS  76  -1.527  21.589  16.902
  503   1HZ   LYS  76          1HZ       LYS  76  -3.834  20.709  17.632
  504   2HZ   LYS  76          2HZ       LYS  76  -3.966  22.190  18.451
  505   3HZ   LYS  76          3HZ       LYS  76  -3.751  22.167  16.767
  506    H    GLU  77           H        GLU  77   1.434  15.918  19.766
  507    HA   GLU  77           HA       GLU  77   4.145  15.975  18.826
  508   1HB   GLU  77          1HB       GLU  77   3.424  17.747  21.000
  509   2HB   GLU  77          2HB       GLU  77   4.615  16.567  21.548
  510   1HG   GLU  77          1HG       GLU  77   5.044  17.891  18.897
  511   2HG   GLU  77          2HG       GLU  77   5.375  18.821  20.359
  512    H    GLY  78           H        GLY  78   5.545  14.468  20.304
  513   1HA   GLY  78          2HA       GLY  78   3.958  12.610  21.958
  514   2HA   GLY  78          1HA       GLY  78   5.708  12.571  21.750
  515    H    GLU  79           H        GLU  79   3.635  10.410  21.426
  516    HA   GLU  79           HA       GLU  79   3.359   9.800  18.616
  517   1HB   GLU  79          1HB       GLU  79   5.912   9.738  19.256
  518   2HB   GLU  79          2HB       GLU  79   5.500   8.183  19.980
  519   1HG   GLU  79          1HG       GLU  79   4.806   7.275  17.903
  520   2HG   GLU  79          2HG       GLU  79   4.699   8.866  17.150
  521    H    ILE  80           H        ILE  80   2.163   7.859  18.341
  522    HA   ILE  80           HA       ILE  80   1.481   6.383  20.866
  523    HB   ILE  80           HB       ILE  80  -0.269   7.176  18.514
  524   1HG1  ILE  80          1HG1      ILE  80  -0.924   8.076  21.244
  525   2HG1  ILE  80          2HG1      ILE  80   0.571   8.751  20.598
  526   1HG2  ILE  80          1HG2      ILE  80  -0.915   5.006  19.509
  527   2HG2  ILE  80          2HG2      ILE  80  -0.954   5.753  21.105
  528   3HG2  ILE  80          3HG2      ILE  80  -2.111   6.251  19.871
  529   1HD1  ILE  80          1HD1      ILE  80  -1.985   8.720  18.988
  530   2HD1  ILE  80          2HD1      ILE  80  -1.597  10.042  20.089
  531   3HD1  ILE  80          3HD1      ILE  80  -0.539   9.694  18.721
  532    H    ASP  81           H        ASP  81   0.977   4.107  20.550
  533    HA   ASP  81           HA       ASP  81   1.932   2.999  17.928
  534   1HB   ASP  81          1HB       ASP  81   3.123   2.839  20.431
  535   2HB   ASP  81          2HB       ASP  81   2.254   1.310  20.306
  536    H    MET  82           H        MET  82   0.412   1.720  16.948
  537    HA   MET  82           HA       MET  82  -1.607   0.319  18.653
  538   1HB   MET  82          2HB       MET  82  -3.381   1.176  17.277
  539   2HB   MET  82          1HB       MET  82  -2.373   2.560  17.700
  540   1HG   MET  82          1HG       MET  82  -1.117   2.108  15.504
  541   2HG   MET  82          2HG       MET  82  -2.461   1.045  15.085
  542   1HE   MET  82          1HE       MET  82  -0.846   4.023  15.215
  543   2HE   MET  82          2HE       MET  82  -1.650   4.582  13.741
  544   3HE   MET  82          3HE       MET  82  -1.934   5.408  15.272
  545    H    ASP  83           H        ASP  83  -3.064  -0.886  16.677
  546    HA   ASP  83           HA       ASP  83  -1.293  -2.979  15.740
  547   1HB   ASP  83          1HB       ASP  83  -3.851  -2.889  16.409
  548   2HB   ASP  83          2HB       ASP  83  -4.072  -2.515  14.700
  549    H    MET  84           H        MET  84  -1.584  -3.651  13.289
  550    HA   MET  84           HA       MET  84  -0.426  -1.535  11.668
  551   1HB   MET  84          1HB       MET  84  -0.857  -4.398  11.635
  552   2HB   MET  84          2HB       MET  84  -1.261  -3.706  10.064
  553   1HG   MET  84          2HG       MET  84   1.128  -4.307  10.161
  554   2HG   MET  84          1HG       MET  84   0.931  -2.560  10.012
  555   1HE   MET  84          1HE       MET  84   2.223  -5.379  11.404
  556   2HE   MET  84          2HE       MET  84   3.683  -4.475  11.796
  557   3HE   MET  84          3HE       MET  84   2.694  -5.170  13.089
  558    H    GLN  85           H        GLN  85  -1.381  -0.722   9.655
  559    HA   GLN  85           HA       GLN  85  -4.225  -1.158   9.099
  560   1HB   GLN  85          1HB       GLN  85  -3.555   0.628  11.106
  561   2HB   GLN  85          2HB       GLN  85  -3.725   1.677   9.698
  562   1HG   GLN  85          1HG       GLN  85  -5.918   1.569  10.549
  563   2HG   GLN  85          2HG       GLN  85  -5.929   0.359   9.266
  564   2HE2  GLN  85          2HE2      GLN  85  -6.304   0.844  12.689
  565   1HE2  GLN  85          1HE2      GLN  85  -6.497  -0.788  13.111
  566    H    GLN  86           H        GLN  86  -4.919   0.506   7.321
  567    HA   GLN  86           HA       GLN  86  -2.547   1.214   5.625
  568   1HB   GLN  86          1HB       GLN  86  -4.154  -0.888   5.170
  569   2HB   GLN  86          2HB       GLN  86  -5.130   0.360   4.394
  570   1HG   GLN  86          1HG       GLN  86  -3.695   0.532   2.655
  571   2HG   GLN  86          2HG       GLN  86  -2.291   0.583   3.722
  572   2HE2  GLN  86          2HE2      GLN  86  -2.113  -0.934   1.362
  573   1HE2  GLN  86          1HE2      GLN  86  -2.110  -2.587   1.746
  574    H    ILE  87           H        ILE  87  -5.299   2.343   7.204
  575    HA   ILE  87           HA       ILE  87  -5.924   4.437   5.193
  576    HB   ILE  87           HB       ILE  87  -7.669   3.141   6.455
  577   1HG1  ILE  87          1HG1      ILE  87  -9.086   5.032   6.847
  578   2HG1  ILE  87          2HG1      ILE  87  -7.708   6.075   7.195
  579   1HG2  ILE  87          1HG2      ILE  87  -6.020   4.044   8.672
  580   2HG2  ILE  87          2HG2      ILE  87  -7.706   4.512   8.900
  581   3HG2  ILE  87          3HG2      ILE  87  -7.286   2.817   8.654
  582   1HD1  ILE  87          1HD1      ILE  87  -8.139   4.735   4.513
  583   2HD1  ILE  87          2HD1      ILE  87  -8.704   6.365   4.879
  584   3HD1  ILE  87          3HD1      ILE  87  -6.978   6.003   4.902
  585    H    LEU  88           H        LEU  88  -3.424   4.162   7.133
  586    HA   LEU  88           HA       LEU  88  -3.649   6.814   8.482
  587   1HB   LEU  88          1HB       LEU  88  -2.490   4.275   9.062
  588   2HB   LEU  88          2HB       LEU  88  -1.167   5.432   8.921
  589    HG   LEU  88           HG       LEU  88  -2.041   5.338  11.237
  590   1HD1  LEU  88          1HD1      LEU  88  -1.923   7.709   9.547
  591   2HD1  LEU  88          2HD1      LEU  88  -3.003   7.944  10.920
  592   3HD1  LEU  88          3HD1      LEU  88  -1.323   7.479  11.190
  593   1HD2  LEU  88          1HD2      LEU  88  -4.400   4.755  10.461
  594   2HD2  LEU  88          2HD2      LEU  88  -4.299   5.949  11.755
  595   3HD2  LEU  88          3HD2      LEU  88  -4.608   6.468  10.097
  596    H    SER  89           H        SER  89  -2.298   8.531   7.874
  597    HA   SER  89           HA       SER  89  -0.341   8.023   5.665
  598   1HB   SER  89          1HB       SER  89  -2.867   9.417   5.616
  599   2HB   SER  89          2HB       SER  89  -1.561  10.553   5.280
  600    HG   SER  89           HG       SER  89  -1.120   9.552   3.477
  601    H    ASP  90           H        ASP  90   1.626   8.825   6.279
  602    HA   ASP  90           HA       ASP  90   2.271  10.177   8.616
  603   1HB   ASP  90          1HB       ASP  90   3.651   9.200   6.572
  604   2HB   ASP  90          2HB       ASP  90   3.664  10.886   6.055
  605    H    GLU  91           H        GLU  91   1.635  11.702   5.450
  606    HA   GLU  91           HA       GLU  91   1.859  14.409   6.213
  607   1HB   GLU  91          1HB       GLU  91   1.579  13.431   3.913
  608   2HB   GLU  91          2HB       GLU  91  -0.122  13.155   4.284
  609   1HG   GLU  91          1HG       GLU  91  -0.605  15.288   3.753
  610   2HG   GLU  91          2HG       GLU  91   0.544  15.867   4.961
  611    H    GLU  92           H        GLU  92  -0.694  12.082   6.807
  612    HA   GLU  92           HA       GLU  92  -2.833  13.860   7.469
  613   1HB   GLU  92          1HB       GLU  92  -2.607  11.243   7.143
  614   2HB   GLU  92          2HB       GLU  92  -2.341  11.255   8.886
  615   1HG   GLU  92          1HG       GLU  92  -4.491  12.831   8.840
  616   2HG   GLU  92          2HG       GLU  92  -4.799  11.962   7.336
  617    H    VAL  93           H        VAL  93  -0.357  12.306   9.536
  618    HA   VAL  93           HA       VAL  93  -1.211  13.774  11.924
  619    HB   VAL  93           HB       VAL  93   1.215  12.071  11.256
  620   1HG1  VAL  93          1HG1      VAL  93   0.506  13.652  13.598
  621   2HG1  VAL  93          2HG1      VAL  93   0.674  11.942  13.997
  622   3HG1  VAL  93          3HG1      VAL  93   2.011  12.806  13.236
  623   1HG2  VAL  93          1HG2      VAL  93  -1.118  11.030  11.120
  624   2HG2  VAL  93          2HG2      VAL  93   0.012  10.249  12.226
  625   3HG2  VAL  93          3HG2      VAL  93  -1.241  11.319  12.855
  626    H    GLU  94           H        GLU  94   1.361  14.023   9.502
  627    HA   GLU  94           HA       GLU  94   2.851  16.108  10.866
  628   1HB   GLU  94          1HB       GLU  94   3.284  14.347   8.835
  629   2HB   GLU  94          2HB       GLU  94   2.976  15.819   7.915
  630   1HG   GLU  94          1HG       GLU  94   4.722  17.001   9.135
  631   2HG   GLU  94          2HG       GLU  94   4.970  15.610  10.192
  632    H    GLU  95           H        GLU  95   0.089  16.049   8.706
  633    HA   GLU  95           HA       GLU  95   0.256  19.018   8.375
  634   1HB   GLU  95          1HB       GLU  95   0.157  17.495   6.381
  635   2HB   GLU  95          2HB       GLU  95  -1.430  16.953   6.929
  636   1HG   GLU  95          1HG       GLU  95  -2.438  18.816   6.138
  637   2HG   GLU  95          2HG       GLU  95  -1.224  19.865   6.868
  638    H    LYS  96           H        LYS  96  -1.884  16.387   9.462
  639    HA   LYS  96           HA       LYS  96  -3.767  18.469  10.526
  640   1HB   LYS  96          1HB       LYS  96  -4.131  16.242   8.842
  641   2HB   LYS  96          2HB       LYS  96  -4.798  15.758  10.401
  642   1HG   LYS  96          1HG       LYS  96  -6.634  16.974   9.934
  643   2HG   LYS  96          2HG       LYS  96  -5.636  18.426   9.990
  644   1HD   LYS  96          1HD       LYS  96  -5.331  16.937   7.484
  645   2HD   LYS  96          2HD       LYS  96  -6.986  17.484   7.756
  646   1HE   LYS  96          1HE       LYS  96  -5.230  19.624   8.492
  647   2HE   LYS  96          2HE       LYS  96  -4.757  19.046   6.883
  648   1HZ   LYS  96          1HZ       LYS  96  -7.123  19.076   6.262
  649   2HZ   LYS  96          2HZ       LYS  96  -7.512  19.737   7.778
  650   3HZ   LYS  96          3HZ       LYS  96  -6.564  20.624   6.681
  651    H    ASP  97           H        ASP  97  -1.540  16.002  11.395
  652    HA   ASP  97           HA       ASP  97  -0.953  15.108  13.507
  653   1HB   ASP  97          1HB       ASP  97  -2.331  17.697  13.953
  654   2HB   ASP  97          2HB       ASP  97  -2.212  16.646  15.367
  655    H    VAL  98           H        VAL  98  -3.780  14.623  12.120
  656    HA   VAL  98           HA       VAL  98  -5.434  13.794  14.400
  657    HB   VAL  98           HB       VAL  98  -6.365  14.703  12.303
  658   1HG1  VAL  98          1HG1      VAL  98  -4.412  13.144  11.099
  659   2HG1  VAL  98          2HG1      VAL  98  -5.902  12.279  10.722
  660   3HG1  VAL  98          3HG1      VAL  98  -5.723  13.970  10.258
  661   1HG2  VAL  98          1HG2      VAL  98  -7.203  12.386  13.659
  662   2HG2  VAL  98          2HG2      VAL  98  -8.191  13.418  12.624
  663   3HG2  VAL  98          3HG2      VAL  98  -7.378  12.008  11.946
  664    H    ARG  99           H        ARG  99  -5.184  11.853  15.410
  665    HA   ARG  99           HA       ARG  99  -3.773   9.650  13.945
  666   1HB   ARG  99          1HB       ARG  99  -3.108  10.882  16.263
  667   2HB   ARG  99          2HB       ARG  99  -4.152   9.610  16.897
  668   1HG   ARG  99          1HG       ARG  99  -2.135   8.474  16.854
  669   2HG   ARG  99          2HG       ARG  99  -2.719   8.102  15.232
  670   1HD   ARG  99          1HD       ARG  99  -1.299   9.717  14.228
  671   2HD   ARG  99          2HD       ARG  99  -1.014  10.546  15.771
  672    HE   ARG  99           HE       ARG  99   0.113   8.338  16.483
  673   1HH1  ARG  99          1HH1      ARG  99  -0.616   7.231  13.655
  674   2HH1  ARG  99          2HH1      ARG  99   0.946   7.274  12.909
  675   1HH2  ARG  99          1HH2      ARG  99   2.342   9.319  15.340
  676   2HH2  ARG  99          2HH2      ARG  99   2.622   8.458  13.862
  677    H    LEU 100           H        LEU 100  -4.700   7.867  16.217
  678    HA   LEU 100           HA       LEU 100  -7.522   7.466  15.270
  679   1HB   LEU 100          1HB       LEU 100  -5.225   5.834  15.096
  680   2HB   LEU 100          2HB       LEU 100  -6.227   5.110  16.353
  681    HG   LEU 100           HG       LEU 100  -8.176   5.498  14.633
  682   1HD1  LEU 100          1HD1      LEU 100  -6.049   6.547  13.177
  683   2HD1  LEU 100          2HD1      LEU 100  -6.276   4.943  12.482
  684   3HD1  LEU 100          3HD1      LEU 100  -7.619   6.084  12.521
  685   1HD2  LEU 100          1HD2      LEU 100  -6.281   3.354  15.085
  686   2HD2  LEU 100          2HD2      LEU 100  -8.009   3.253  14.752
  687   3HD2  LEU 100          3HD2      LEU 100  -6.857   3.323  13.419
  688    H    THR 101           H        THR 101  -5.327   6.677  17.995
  689    HA   THR 101           HA       THR 101  -5.787   6.477  20.306
  690    HB   THR 101           HB       THR 101  -6.833   8.437  21.157
  691    HG1  THR 101           HG1      THR 101  -8.356   9.575  19.966
  692   1HG2  THR 101          1HG2      THR 101  -4.867   8.690  19.414
  693   2HG2  THR 101          2HG2      THR 101  -6.112   9.472  18.439
  694   3HG2  THR 101          3HG2      THR 101  -5.699  10.119  20.027
  695    H    CYS 102           H        CYS 102  -7.529   4.943  18.303
  696    HA   CYS 102           HA       CYS 102 -10.136   4.782  19.687
  697   1HB   CYS 102          2HB       CYS 102  -9.060   3.005  17.484
  698   2HB   CYS 102          1HB       CYS 102 -10.740   3.412  17.829
  699    H    ILE 103           H        ILE 103  -7.401   2.574  18.978
  700    HA   ILE 103           HA       ILE 103  -7.884   1.206  21.573
  701    HB   ILE 103           HB       ILE 103  -7.880  -0.140  18.850
  702   1HG1  ILE 103          1HG1      ILE 103 -10.060   0.195  20.933
  703   2HG1  ILE 103          2HG1      ILE 103  -9.994   1.011  19.371
  704   1HG2  ILE 103          1HG2      ILE 103  -7.600  -1.131  21.642
  705   2HG2  ILE 103          2HG2      ILE 103  -8.675  -2.049  20.587
  706   3HG2  ILE 103          3HG2      ILE 103  -6.985  -1.816  20.138
  707   1HD1  ILE 103          1HD1      ILE 103  -9.996  -2.003  19.664
  708   2HD1  ILE 103          2HD1      ILE 103 -11.467  -1.057  19.437
  709   3HD1  ILE 103          3HD1      ILE 103 -10.225  -1.069  18.186
  710    H    GLY 104           H        GLY 104  -5.716   2.902  20.675
  711   1HA   GLY 104          2HA       GLY 104  -3.415   2.479  19.735
  712   2HA   GLY 104          1HA       GLY 104  -3.512   0.886  20.487
  713    H    SER 105           H        SER 105  -1.416   1.792  21.467
  714    HA   SER 105           HA       SER 105  -2.092   3.222  24.016
  715   1HB   SER 105          1HB       SER 105   0.383   1.895  24.237
  716   2HB   SER 105          2HB       SER 105  -1.158   1.363  24.908
  717    HG   SER 105           HG       SER 105  -0.212  -0.207  23.537
  718    HA   PRO 106           HA       PRO 106   0.661   6.421  22.792
  719   1HB   PRO 106          1HB       PRO 106   1.496   7.305  25.244
  720   2HB   PRO 106          2HB       PRO 106  -0.127   7.623  24.602
  721   1HG   PRO 106          1HG       PRO 106   0.767   5.588  26.586
  722   2HG   PRO 106          2HG       PRO 106  -0.713   6.557  26.555
  723   1HD   PRO 106          1HD       PRO 106  -0.590   3.931  25.787
  724   2HD   PRO 106          2HD       PRO 106  -1.789   5.086  25.169
  725    H    ALA 107           H        ALA 107   2.954   6.882  22.638
  726    HA   ALA 107           HA       ALA 107   4.693   4.621  23.552
  727   1HB   ALA 107          1HB       ALA 107   4.650   6.477  21.179
  728   2HB   ALA 107          3HB       ALA 107   4.669   4.714  21.195
  729   3HB   ALA 107          2HB       ALA 107   6.126   5.616  21.612
  730    H    ALA 108           H        ALA 108   5.419   7.941  22.501
  731    HA   ALA 108           HA       ALA 108   7.624   8.384  24.186
  732   1HB   ALA 108          1HB       ALA 108   6.934   9.800  22.293
  733   2HB   ALA 108          3HB       ALA 108   7.113  10.779  23.749
  734   3HB   ALA 108          2HB       ALA 108   5.505  10.317  23.189
  735    H    ASP 109           H        ASP 109   7.793   9.587  26.212
  736    HA   ASP 109           HA       ASP 109   5.940   8.794  28.245
  737   1HB   ASP 109          1HB       ASP 109   8.342   9.366  28.549
  738   2HB   ASP 109          2HB       ASP 109   7.972  11.050  28.184
  739    H    GLU 110           H        GLU 110   6.559  12.067  26.910
  740    HA   GLU 110           HA       GLU 110   3.865  12.906  27.896
  741   1HB   GLU 110          1HB       GLU 110   6.177  14.049  28.390
  742   2HB   GLU 110          2HB       GLU 110   6.000  14.702  26.761
  743   1HG   GLU 110          2HG       GLU 110   4.640  16.294  27.592
  744   2HG   GLU 110          1HG       GLU 110   3.490  15.032  28.038
  745    H    VAL 111           H        VAL 111   2.301  12.738  26.330
  746    HA   VAL 111           HA       VAL 111   3.097  13.250  23.485
  747    HB   VAL 111           HB       VAL 111   0.653  11.784  24.497
  748   1HG1  VAL 111          1HG1      VAL 111   2.030  12.223  21.901
  749   2HG1  VAL 111          2HG1      VAL 111   1.399  10.601  22.181
  750   3HG1  VAL 111          3HG1      VAL 111   0.315  11.991  22.239
  751   1HG2  VAL 111          1HG2      VAL 111   3.492  10.961  24.493
  752   2HG2  VAL 111          2HG2      VAL 111   2.134  10.311  25.409
  753   3HG2  VAL 111          3HG2      VAL 111   2.388   9.813  23.737
  754    H    LYS 112           H        LYS 112   2.151  14.982  22.479
  755    HA   LYS 112           HA       LYS 112   0.060  16.502  23.970
  756   1HB   LYS 112          1HB       LYS 112   1.710  17.252  21.536
  757   2HB   LYS 112          2HB       LYS 112   0.791  18.348  22.567
  758   1HG   LYS 112          1HG       LYS 112   2.437  16.986  24.354
  759   2HG   LYS 112          2HG       LYS 112   3.473  17.258  22.952
  760   1HD   LYS 112          1HD       LYS 112   1.833  19.592  23.630
  761   2HD   LYS 112          2HD       LYS 112   2.928  19.121  24.930
  762   1HE   LYS 112          1HE       LYS 112   4.420  18.917  22.520
  763   2HE   LYS 112          2HE       LYS 112   3.566  20.471  22.465
  764   1HZ   LYS 112          1HZ       LYS 112   4.804  19.571  24.982
  765   2HZ   LYS 112          2HZ       LYS 112   5.785  20.272  23.785
  766   3HZ   LYS 112          3HZ       LYS 112   4.493  21.152  24.448
  767    H    ILE 113           H        ILE 113  -2.005  16.677  23.133
  768    HA   ILE 113           HA       ILE 113  -2.548  16.148  20.294
  769    HB   ILE 113           HB       ILE 113  -2.302  13.904  21.407
  770   1HG1  ILE 113          1HG1      ILE 113  -5.113  13.709  20.866
  771   2HG1  ILE 113          2HG1      ILE 113  -4.403  14.868  19.744
  772   1HG2  ILE 113          1HG2      ILE 113  -3.741  15.170  23.450
  773   2HG2  ILE 113          2HG2      ILE 113  -4.883  14.023  22.749
  774   3HG2  ILE 113          3HG2      ILE 113  -3.331  13.456  23.367
  775   1HD1  ILE 113          1HD1      ILE 113  -2.513  12.909  19.696
  776   2HD1  ILE 113          2HD1      ILE 113  -3.966  11.948  19.975
  777   3HD1  ILE 113          3HD1      ILE 113  -3.859  12.994  18.559
  778    H    VAL 114           H        VAL 114  -4.712  16.740  19.723
  779    HA   VAL 114           HA       VAL 114  -6.125  18.317  21.846
  780    HB   VAL 114           HB       VAL 114  -5.258  18.815  19.096
  781   1HG1  VAL 114          1HG1      VAL 114  -7.702  18.352  18.689
  782   2HG1  VAL 114          2HG1      VAL 114  -8.080  19.670  19.799
  783   3HG1  VAL 114          3HG1      VAL 114  -7.210  20.000  18.301
  784   1HG2  VAL 114          1HG2      VAL 114  -4.950  20.111  21.357
  785   2HG2  VAL 114          2HG2      VAL 114  -5.140  21.017  19.857
  786   3HG2  VAL 114          3HG2      VAL 114  -6.512  20.820  20.948
  787    H    TYR 115           H        TYR 115  -8.114  17.527  22.420
  788    HA   TYR 115           HA       TYR 115  -9.298  15.331  20.842
  789   1HB   TYR 115          2HB       TYR 115 -10.200  14.745  22.860
  790   2HB   TYR 115          1HB       TYR 115  -9.015  15.873  23.507
  791    HD1  TYR 115           HD1      TYR 115  -9.844  18.450  23.422
  792    HD2  TYR 115           HD2      TYR 115 -12.397  14.996  23.557
  793    HE1  TYR 115           HE1      TYR 115 -11.681  19.840  24.332
  794    HE2  TYR 115           HE2      TYR 115 -14.234  16.392  24.469
  795    HH   TYR 115           HH       TYR 115 -14.929  18.588  24.701
  796    H    ASN 116           H        ASN 116 -11.737  15.441  20.441
  797    HA   ASN 116           HA       ASN 116 -13.638  16.537  19.546
  798   1HB   ASN 116          1HB       ASN 116 -12.453  18.287  21.476
  799   2HB   ASN 116          2HB       ASN 116 -12.959  19.262  20.100
  800   2HD2  ASN 116          2HD2      ASN 116 -14.547  19.956  22.021
  801   1HD2  ASN 116          1HD2      ASN 116 -16.016  19.108  22.079
  802    H    ALA 117           H        ALA 117 -11.517  15.955  17.801
  803    HA   ALA 117           HA       ALA 117 -10.577  18.227  16.297
  804   1HB   ALA 117          1HB       ALA 117  -9.604  15.925  16.334
  805   2HB   ALA 117          3HB       ALA 117  -9.923  16.492  14.694
  806   3HB   ALA 117          2HB       ALA 117 -11.020  15.343  15.458
  807    H    LYS 118           H        LYS 118 -13.669  16.790  16.528
  808    HA   LYS 118           HA       LYS 118 -14.703  16.995  13.897
  809   1HB   LYS 118          1HB       LYS 118 -16.873  17.228  15.117
  810   2HB   LYS 118          2HB       LYS 118 -15.857  15.958  15.797
  811   1HG   LYS 118          1HG       LYS 118 -15.553  17.081  17.756
  812   2HG   LYS 118          2HG       LYS 118 -15.406  18.640  16.946
  813   1HD   LYS 118          1HD       LYS 118 -18.007  17.151  17.413
  814   2HD   LYS 118          2HD       LYS 118 -17.449  18.540  18.344
  815   1HE   LYS 118          1HE       LYS 118 -17.294  19.757  16.049
  816   2HE   LYS 118          2HE       LYS 118 -18.331  18.445  15.456
  817    H    HIS 119           H        HIS 119 -13.664  19.471  16.066
  818    HA   HIS 119           HA       HIS 119 -15.338  21.629  15.097
  819   1HB   HIS 119          1HB       HIS 119 -12.711  21.405  16.582
  820   2HB   HIS 119          2HB       HIS 119 -13.468  22.961  16.243
  821    HD1  HIS 119           HD1      HIS 119 -16.370  22.478  16.804
  822    HD2  HIS 119           HD2      HIS 119 -13.379  20.839  19.204
  823    HE1  HIS 119           HE1      HIS 119 -17.444  21.970  19.040
  824    H    LEU 120           H        LEU 120 -12.429  20.077  13.954
  825    HA   LEU 120           HA       LEU 120 -11.047  21.944  12.473
  826   1HB   LEU 120          1HB       LEU 120 -11.514  19.133  12.470
  827   2HB   LEU 120          2HB       LEU 120 -11.598  19.675  10.794
  828    HG   LEU 120           HG       LEU 120  -9.424  21.074  11.714
  829   1HD1  LEU 120          1HD1      LEU 120  -9.753  18.569  13.312
  830   2HD1  LEU 120          2HD1      LEU 120  -8.131  18.984  12.758
  831   3HD1  LEU 120          3HD1      LEU 120  -9.029  20.108  13.777
  832   1HD2  LEU 120          1HD2      LEU 120  -9.864  19.472   9.674
  833   2HD2  LEU 120          2HD2      LEU 120  -8.210  19.738  10.227
  834   3HD2  LEU 120          3HD2      LEU 120  -9.070  18.269  10.691
  835    H    ASP 121           H        ASP 121 -11.902  23.600  11.260
  836    HA   ASP 121           HA       ASP 121 -14.500  23.631  10.074
  837   1HB   ASP 121          1HB       ASP 121 -11.946  25.153   9.457
  838   2HB   ASP 121          2HB       ASP 121 -13.548  25.621   8.885
  839    H    TYR 122           H        TYR 122 -11.377  22.508   8.881
  840    HA   TYR 122           HA       TYR 122 -11.885  22.384   6.097
  841   1HB   TYR 122          1HB       TYR 122  -9.767  21.926   7.482
  842   2HB   TYR 122          2HB       TYR 122 -10.414  20.305   7.731
  843    HD1  TYR 122           HD1      TYR 122  -9.764  22.762   4.970
  844    HD2  TYR 122           HD2      TYR 122  -9.908  18.641   6.173
  845    HE1  TYR 122           HE1      TYR 122  -8.909  22.082   2.743
  846    HE2  TYR 122           HE2      TYR 122  -9.054  17.961   3.946
  847    HH   TYR 122           HH       TYR 122  -7.692  20.152   1.755
  848    H    LEU 123           H        LEU 123 -13.209  20.521   8.717
  849    HA   LEU 123           HA       LEU 123 -14.382  18.558   6.779
  850   1HB   LEU 123          1HB       LEU 123 -13.254  18.462   9.484
  851   2HB   LEU 123          2HB       LEU 123 -14.816  17.652   9.372
  852    HG   LEU 123           HG       LEU 123 -14.027  16.271   7.535
  853   1HD1  LEU 123          1HD1      LEU 123 -12.099  18.382   7.284
  854   2HD1  LEU 123          2HD1      LEU 123 -11.240  16.856   7.493
  855   3HD1  LEU 123          3HD1      LEU 123 -12.403  17.040   6.180
  856   1HD2  LEU 123          1HD2      LEU 123 -13.283  15.930  10.080
  857   2HD2  LEU 123          2HD2      LEU 123 -12.720  14.852   8.803
  858   3HD2  LEU 123          3HD2      LEU 123 -11.681  16.154   9.380
  859    H    GLN 124           H        GLN 124 -15.093  21.112   9.028
  860    HA   GLN 124           HA       GLN 124 -17.771  20.535   9.751
  861   1HB   GLN 124          1HB       GLN 124 -16.338  22.341  10.658
  862   2HB   GLN 124          2HB       GLN 124 -16.437  23.186   9.112
  863   1HG   GLN 124          1HG       GLN 124 -18.397  24.110   9.713
  864   2HG   GLN 124          2HG       GLN 124 -19.092  22.512   9.985
  865   2HE2  GLN 124          2HE2      GLN 124 -17.693  21.554  12.170
  866   1HE2  GLN 124          1HE2      GLN 124 -17.895  22.581  13.507
  867    H    ASN 125           H        ASN 125 -16.434  21.886   6.769
  868    HA   ASN 125           HA       ASN 125 -18.915  22.763   5.606
  869   1HB   ASN 125          1HB       ASN 125 -16.240  21.882   4.481
  870   2HB   ASN 125          2HB       ASN 125 -17.511  22.607   3.498
  871   2HD2  ASN 125          2HD2      ASN 125 -16.734  24.709   3.103
  872   1HD2  ASN 125          1HD2      ASN 125 -16.233  25.787   4.315
  873    H    ARG 126           H        ARG 126 -17.525  19.627   6.075
  874    HA   ARG 126           HA       ARG 126 -19.033  18.338   3.900
  875   1HB   ARG 126          2HB       ARG 126 -17.402  17.268   6.227
  876   2HB   ARG 126          1HB       ARG 126 -17.963  16.314   4.854
  877   1HG   ARG 126          1HG       ARG 126 -16.169  18.748   4.627
  878   2HG   ARG 126          2HG       ARG 126 -15.593  17.081   4.605
  879   1HD   ARG 126          1HD       ARG 126 -17.121  16.662   2.631
  880   2HD   ARG 126          2HD       ARG 126 -17.444  18.406   2.595
  881    HE   ARG 126           HE       ARG 126 -14.598  17.573   2.625
  882   1HH1  ARG 126          1HH1      ARG 126 -16.932  17.434   0.287
  883   2HH1  ARG 126          2HH1      ARG 126 -16.218  18.597  -0.779
  884   1HH2  ARG 126          1HH2      ARG 126 -13.840  19.637   1.519
  885   2HH2  ARG 126          2HH2      ARG 126 -14.468  19.845  -0.081
  886    H    VAL 127           H        VAL 127 -19.616  19.258   7.165
  887    HA   VAL 127           HA       VAL 127 -21.306  17.227   8.150
  888    HB   VAL 127           HB       VAL 127 -20.438  19.365   9.249
  889   1HG1  VAL 127          1HG1      VAL 127 -21.840  20.574   7.189
  890   2HG1  VAL 127          2HG1      VAL 127 -22.906  20.800   8.576
  891   3HG1  VAL 127          3HG1      VAL 127 -21.245  21.392   8.635
  892   1HG2  VAL 127          1HG2      VAL 127 -23.002  18.002   9.583
  893   2HG2  VAL 127          2HG2      VAL 127 -21.833  18.501  10.805
  894   3HG2  VAL 127          3HG2      VAL 127 -23.034  19.649  10.213
  895    H    ILE 128           H        ILE 128 -21.856  19.521   5.577
  896    HA   ILE 128           HA       ILE 128 -24.721  19.536   5.542
  897    HB   ILE 128           HB       ILE 128 -24.390  20.427   3.308
  898   1HG1  ILE 128          1HG1      ILE 128 -21.649  19.153   3.540
  899   2HG1  ILE 128          2HG1      ILE 128 -22.918  18.744   2.384
  900   1HG2  ILE 128          1HG2      ILE 128 -22.946  21.313   5.604
  901   2HG2  ILE 128          2HG2      ILE 128 -21.915  21.565   4.196
  902   3HG2  ILE 128          3HG2      ILE 128 -23.527  22.280   4.249
  903   1HD1  ILE 128          1HD1      ILE 128 -21.677  21.501   2.550
  904   2HD1  ILE 128          2HD1      ILE 128 -21.062  20.238   1.484
  905   3HD1  ILE 128          3HD1      ILE 128 -22.699  20.854   1.267

  No H/Q in entry =         905
  Start of MODEL    6
    1    H2   PRO   1           H2       PRO   1   3.621   8.207  30.929
    2    H3   PRO   1           H3       PRO   1   4.677   7.381  29.880
    3    HA   PRO   1           HA       PRO   1   3.194   7.633  28.260
    4   1HB   PRO   1          1HB       PRO   1   0.972   6.223  29.010
    5   2HB   PRO   1          2HB       PRO   1   2.493   5.448  28.527
    6   1HG   PRO   1          2HG       PRO   1   1.403   5.961  31.253
    7   2HG   PRO   1          1HG       PRO   1   2.253   4.540  30.630
    8   1HD   PRO   1          1HD       PRO   1   3.448   6.443  32.164
    9   2HD   PRO   1          2HD       PRO   1   4.321   5.482  30.954
   10    H    THR   2           H        THR   2   3.087  10.000  29.220
   11    HA   THR   2           HA       THR   2   0.341  10.617  30.226
   12    HB   THR   2           HB       THR   2   2.723  12.466  30.013
   13    HG1  THR   2           HG1      THR   2   3.247  11.768  32.107
   14   1HG2  THR   2          1HG2      THR   2   0.153  12.371  31.571
   15   2HG2  THR   2          2HG2      THR   2   1.527  13.296  32.176
   16   3HG2  THR   2          3HG2      THR   2   0.816  13.693  30.611
   17    H    VAL   3           H        VAL   3  -1.070  11.762  28.921
   18    HA   VAL   3           HA       VAL   3   0.016  12.940  26.386
   19    HB   VAL   3           HB       VAL   3  -2.577  11.404  26.753
   20   1HG1  VAL   3          1HG1      VAL   3  -1.147  12.669  24.424
   21   2HG1  VAL   3          2HG1      VAL   3  -2.223  11.297  24.165
   22   3HG1  VAL   3          3HG1      VAL   3  -2.849  12.787  24.873
   23   1HG2  VAL   3          1HG2      VAL   3   0.156  10.484  26.447
   24   2HG2  VAL   3          2HG2      VAL   3  -1.313   9.538  26.686
   25   3HG2  VAL   3          3HG2      VAL   3  -0.819  10.002  25.059
   26    H    GLU   4           H        GLU   4  -0.304  15.123  26.648
   27    HA   GLU   4           HA       GLU   4  -2.463  16.196  28.309
   28   1HB   GLU   4          1HB       GLU   4   0.046  16.977  27.492
   29   2HB   GLU   4          2HB       GLU   4  -0.991  17.973  26.470
   30   1HG   GLU   4          1HG       GLU   4  -1.789  19.184  28.235
   31   2HG   GLU   4          2HG       GLU   4  -1.798  17.791  29.317
   32    H    TYR   5           H        TYR   5  -4.531  16.227  27.486
   33    HA   TYR   5           HA       TYR   5  -4.955  16.451  24.559
   34   1HB   TYR   5          1HB       TYR   5  -7.274  15.906  25.182
   35   2HB   TYR   5          2HB       TYR   5  -6.158  14.788  25.964
   36    HD1  TYR   5           HD1      TYR   5  -8.350  17.725  26.476
   37    HD2  TYR   5           HD2      TYR   5  -5.826  14.804  28.357
   38    HE1  TYR   5           HE1      TYR   5  -9.236  18.389  28.696
   39    HE2  TYR   5           HE2      TYR   5  -6.711  15.466  30.576
   40    HH   TYR   5           HH       TYR   5  -8.116  16.777  31.677
   41    H    LEU   6           H        LEU   6  -5.846  18.274  23.588
   42    HA   LEU   6           HA       LEU   6  -6.596  20.571  25.366
   43   1HB   LEU   6          1HB       LEU   6  -4.269  20.288  23.878
   44   2HB   LEU   6          2HB       LEU   6  -5.300  21.251  22.823
   45    HG   LEU   6           HG       LEU   6  -4.453  21.879  25.659
   46   1HD1  LEU   6          1HD1      LEU   6  -3.232  22.471  23.312
   47   2HD1  LEU   6          2HD1      LEU   6  -4.334  23.843  23.434
   48   3HD1  LEU   6          3HD1      LEU   6  -3.170  23.529  24.721
   49   1HD2  LEU   6          1HD2      LEU   6  -6.918  22.554  24.283
   50   2HD2  LEU   6          2HD2      LEU   6  -6.437  22.913  25.941
   51   3HD2  LEU   6          3HD2      LEU   6  -5.979  24.006  24.635
   52    H    ASN   7           H        ASN   7  -8.575  21.406  24.796
   53    HA   ASN   7           HA       ASN   7 -10.151  20.346  22.650
   54   1HB   ASN   7          1HB       ASN   7 -11.009  21.369  24.735
   55   2HB   ASN   7          2HB       ASN   7 -10.371  22.933  24.230
   56   2HD2  ASN   7          2HD2      ASN   7 -12.845  23.448  24.459
   57   1HD2  ASN   7          1HD2      ASN   7 -13.797  23.207  23.074
   58    H    TYR   8           H        TYR   8  -9.413  20.658  20.541
   59    HA   TYR   8           HA       TYR   8  -7.870  22.828  19.578
   60   1HB   TYR   8          1HB       TYR   8  -8.094  20.849  18.273
   61   2HB   TYR   8          2HB       TYR   8  -9.855  20.916  18.337
   62    HD1  TYR   8           HD1      TYR   8 -11.066  22.772  17.130
   63    HD2  TYR   8           HD2      TYR   8  -6.873  22.016  16.592
   64    HE1  TYR   8           HE1      TYR   8 -11.104  24.079  15.027
   65    HE2  TYR   8           HE2      TYR   8  -6.908  23.330  14.487
   66    HH   TYR   8           HH       TYR   8  -8.893  23.911  12.719
   67    H    GLU   9           H        GLU   9 -11.358  22.501  20.029
   68    HA   GLU   9           HA       GLU   9 -12.176  24.814  18.537
   69   1HB   GLU   9          1HB       GLU   9 -13.293  22.759  20.132
   70   2HB   GLU   9          2HB       GLU   9 -13.807  24.279  20.866
   71   1HG   GLU   9          1HG       GLU   9 -14.790  25.040  18.823
   72   2HG   GLU   9          2HG       GLU   9 -14.016  23.757  17.893
   73    H    THR  10           H        THR  10 -11.256  24.356  21.954
   74    HA   THR  10           HA       THR  10 -11.831  26.989  22.882
   75    HB   THR  10           HB       THR  10  -9.728  24.943  23.666
   76    HG1  THR  10           HG1      THR  10 -12.225  25.554  24.847
   77   1HG2  THR  10          1HG2      THR  10 -10.113  27.641  24.560
   78   2HG2  THR  10          2HG2      THR  10 -10.560  26.541  25.864
   79   3HG2  THR  10          3HG2      THR  10  -8.954  26.446  25.143
   80    H    LEU  11           H        LEU  11  -9.033  25.643  21.180
   81    HA   LEU  11           HA       LEU  11  -7.255  27.872  21.522
   82   1HB   LEU  11          1HB       LEU  11  -6.451  25.717  20.815
   83   2HB   LEU  11          2HB       LEU  11  -7.565  25.683  19.448
   84    HG   LEU  11           HG       LEU  11  -6.388  27.494  18.360
   85   1HD1  LEU  11          1HD1      LEU  11  -4.962  27.669  21.012
   86   2HD1  LEU  11          2HD1      LEU  11  -4.239  28.329  19.546
   87   3HD1  LEU  11          3HD1      LEU  11  -5.786  28.949  20.122
   88   1HD2  LEU  11          1HD2      LEU  11  -5.145  25.009  19.069
   89   2HD2  LEU  11          2HD2      LEU  11  -4.932  25.957  17.598
   90   3HD2  LEU  11          3HD2      LEU  11  -3.901  26.256  18.997
   91    H    ASP  12           H        ASP  12  -9.656  27.066  19.011
   92    HA   ASP  12           HA       ASP  12  -9.067  29.441  17.413
   93   1HB   ASP  12          1HB       ASP  12  -9.926  27.213  16.594
   94   2HB   ASP  12          2HB       ASP  12 -11.460  27.577  17.383
   95    H    ASP  13           H        ASP  13 -11.474  28.523  19.853
   96    HA   ASP  13           HA       ASP  13 -13.160  30.855  19.496
   97   1HB   ASP  13          1HB       ASP  13 -13.422  28.465  20.683
   98   2HB   ASP  13          2HB       ASP  13 -12.942  29.401  22.099
   99    H    GLN  14           H        GLN  14 -10.542  30.014  21.775
  100    HA   GLN  14           HA       GLN  14 -10.680  32.547  23.204
  101   1HB   GLN  14          1HB       GLN  14  -9.630  30.041  23.610
  102   2HB   GLN  14          2HB       GLN  14  -8.181  30.975  23.242
  103   1HG   GLN  14          1HG       GLN  14  -8.793  32.617  24.977
  104   2HG   GLN  14          2HG       GLN  14 -10.256  31.700  25.335
  105   2HE2  GLN  14          2HE2      GLN  14  -8.609  31.979  27.485
  106   1HE2  GLN  14          1HE2      GLN  14  -7.738  30.555  27.797
  107    H    GLY  15           H        GLY  15  -9.320  31.564  20.204
  108   1HA   GLY  15          2HA       GLY  15  -8.177  34.213  19.779
  109   2HA   GLY  15          1HA       GLY  15  -8.167  32.884  18.619
  110    H    TRP  16           H        TRP  16  -7.008  31.130  20.846
  111    HA   TRP  16           HA       TRP  16  -4.333  32.283  21.286
  112   1HB   TRP  16          1HB       TRP  16  -6.050  30.224  22.359
  113   2HB   TRP  16          2HB       TRP  16  -4.462  29.546  22.003
  114    HD1  TRP  16           HD1      TRP  16  -2.618  30.002  23.700
  115    HE1  TRP  16           HE1      TRP  16  -2.326  31.585  25.715
  116    HE3  TRP  16           HE3      TRP  16  -6.867  32.802  23.249
  117    HZ2  TRP  16           HZ2      TRP  16  -3.710  33.751  26.967
  118    HZ3  TRP  16           HZ3      TRP  16  -7.354  34.616  24.864
  119    HH2  TRP  16           HH2      TRP  16  -5.782  35.095  26.722
  120    H    ASP  17           H        ASP  17  -2.615  30.216  20.967
  121    HA   ASP  17           HA       ASP  17  -2.851  29.460  18.071
  122   1HB   ASP  17          1HB       ASP  17  -0.761  30.808  19.694
  123   2HB   ASP  17          2HB       ASP  17  -0.179  29.625  18.522
  124    H    MET  18           H        MET  18  -1.202  27.597  17.601
  125    HA   MET  18           HA       MET  18  -1.806  25.395  19.430
  126   1HB   MET  18          1HB       MET  18  -0.674  25.859  16.734
  127   2HB   MET  18          2HB       MET  18  -0.058  24.430  17.563
  128   1HG   MET  18          1HG       MET  18  -2.614  24.025  18.103
  129   2HG   MET  18          2HG       MET  18  -2.860  25.059  16.696
  130   1HE   MET  18          1HE       MET  18  -4.064  22.429  16.672
  131   2HE   MET  18          2HE       MET  18  -3.186  21.032  16.031
  132   3HE   MET  18          3HE       MET  18  -2.906  21.571  17.685
  133    H    ASP  19           H        ASP  19   1.194  26.996  18.296
  134    HA   ASP  19           HA       ASP  19   2.556  25.927  20.749
  135   1HB   ASP  19          1HB       ASP  19   3.184  24.879  18.548
  136   2HB   ASP  19          2HB       ASP  19   3.734  26.464  18.005
  137    H    ASP  20           H        ASP  20   1.683  28.692  18.914
  138    HA   ASP  20           HA       ASP  20   3.844  30.472  19.540
  139   1HB   ASP  20          1HB       ASP  20   1.474  30.489  18.103
  140   2HB   ASP  20          2HB       ASP  20   1.150  31.635  19.405
  141    H    ASP  21           H        ASP  21   0.569  30.462  21.011
  142    HA   ASP  21           HA       ASP  21   1.539  31.897  23.369
  143   1HB   ASP  21          1HB       ASP  21  -1.023  30.858  22.245
  144   2HB   ASP  21          2HB       ASP  21  -0.971  31.147  23.984
  145    H    ASP  22           H        ASP  22   1.882  28.745  22.458
  146    HA   ASP  22           HA       ASP  22   2.220  26.724  23.636
  147   1HB   ASP  22          1HB       ASP  22   3.335  29.012  25.054
  148   2HB   ASP  22          2HB       ASP  22   2.950  27.694  26.160
  149    H    LEU  23           H        LEU  23  -0.462  27.296  23.554
  150    HA   LEU  23           HA       LEU  23  -1.928  27.678  25.905
  151   1HB   LEU  23          1HB       LEU  23  -2.554  27.175  23.397
  152   2HB   LEU  23          2HB       LEU  23  -2.630  25.502  23.948
  153    HG   LEU  23           HG       LEU  23  -4.294  26.071  25.622
  154   1HD1  LEU  23          1HD1      LEU  23  -3.261  28.747  25.147
  155   2HD1  LEU  23          2HD1      LEU  23  -5.022  28.717  25.047
  156   3HD1  LEU  23          3HD1      LEU  23  -4.211  28.146  26.506
  157   1HD2  LEU  23          1HD2      LEU  23  -4.766  27.094  22.827
  158   2HD2  LEU  23          2HD2      LEU  23  -5.363  25.614  23.577
  159   3HD2  LEU  23          3HD2      LEU  23  -6.046  27.172  24.037
  160    H    PHE  24           H        PHE  24  -0.495  24.629  24.707
  161    HA   PHE  24           HA       PHE  24  -1.410  22.851  26.691
  162   1HB   PHE  24          1HB       PHE  24   1.013  23.128  24.948
  163   2HB   PHE  24          2HB       PHE  24   1.017  21.871  26.184
  164    HD1  PHE  24           HD1      PHE  24  -1.241  20.453  26.317
  165    HD2  PHE  24           HD2      PHE  24   0.116  22.614  22.862
  166    HE1  PHE  24           HE1      PHE  24  -2.656  19.023  24.867
  167    HE2  PHE  24           HE2      PHE  24  -1.297  21.183  21.412
  168    HZ   PHE  24           HZ       PHE  24  -2.684  19.389  22.414
  169    H    GLU  25           H        GLU  25   0.912  25.437  26.907
  170    HA   GLU  25           HA       GLU  25   1.807  24.496  29.601
  171   1HB   GLU  25          1HB       GLU  25   3.004  25.791  27.312
  172   2HB   GLU  25          2HB       GLU  25   3.218  26.795  28.746
  173   1HG   GLU  25          1HG       GLU  25   3.678  24.064  29.478
  174   2HG   GLU  25          2HG       GLU  25   4.636  24.423  28.042
  175    H    LYS  26           H        LYS  26   0.439  27.314  27.895
  176    HA   LYS  26           HA       LYS  26   0.242  28.948  30.297
  177   1HB   LYS  26          1HB       LYS  26  -0.215  29.110  27.438
  178   2HB   LYS  26          2HB       LYS  26  -1.559  29.841  28.317
  179   1HG   LYS  26          1HG       LYS  26  -0.050  31.290  29.539
  180   2HG   LYS  26          2HG       LYS  26   1.357  30.467  28.865
  181   1HD   LYS  26          1HD       LYS  26   1.249  31.641  26.929
  182   2HD   LYS  26          2HD       LYS  26  -0.500  31.452  26.815
  183   1HE   LYS  26          1HE       LYS  26  -0.901  33.465  27.837
  184   2HE   LYS  26          2HE       LYS  26   0.436  33.253  28.983
  185   1HZ   LYS  26          1HZ       LYS  26   1.984  33.607  27.118
  186   2HZ   LYS  26          2HZ       LYS  26   0.668  33.924  26.091
  187   3HZ   LYS  26          3HZ       LYS  26   1.002  34.966  27.391
  188    H    ALA  27           H        ALA  27  -1.841  26.651  28.634
  189    HA   ALA  27           HA       ALA  27  -4.339  27.361  29.842
  190   1HB   ALA  27          1HB       ALA  27  -3.908  25.853  27.866
  191   2HB   ALA  27          2HB       ALA  27  -3.316  24.632  28.991
  192   3HB   ALA  27          3HB       ALA  27  -5.000  25.151  29.060
  193    H    ALA  28           H        ALA  28  -1.515  25.807  31.113
  194    HA   ALA  28           HA       ALA  28  -2.820  24.335  33.256
  195   1HB   ALA  28          1HB       ALA  28   0.018  25.321  33.316
  196   2HB   ALA  28          3HB       ALA  28  -0.458  24.146  32.091
  197   3HB   ALA  28          2HB       ALA  28  -0.620  23.750  33.802
  198    H    ASP  29           H        ASP  29  -1.721  27.623  32.797
  199    HA   ASP  29           HA       ASP  29  -1.813  28.249  35.685
  200   1HB   ASP  29          1HB       ASP  29  -0.868  29.435  33.156
  201   2HB   ASP  29          2HB       ASP  29  -1.532  30.607  34.295
  202    H    ALA  30           H        ALA  30  -4.105  27.848  33.305
  203    HA   ALA  30           HA       ALA  30  -5.838  30.081  34.259
  204   1HB   ALA  30          1HB       ALA  30  -7.080  28.620  32.200
  205   2HB   ALA  30          3HB       ALA  30  -5.367  28.645  31.782
  206   3HB   ALA  30          2HB       ALA  30  -6.236  30.159  32.035
  207    H    GLY  31           H        GLY  31  -6.497  26.739  33.210
  208   1HA   GLY  31          2HA       GLY  31  -8.125  26.391  35.695
  209   2HA   GLY  31          1HA       GLY  31  -7.277  25.066  34.899
  210    H    LEU  32           H        LEU  32  -7.941  25.494  32.239
  211    HA   LEU  32           HA       LEU  32 -10.717  26.041  31.754
  212   1HB   LEU  32          1HB       LEU  32  -8.592  24.425  30.316
  213   2HB   LEU  32          2HB       LEU  32 -10.175  24.773  29.620
  214    HG   LEU  32           HG       LEU  32  -8.232  26.888  30.595
  215   1HD1  LEU  32          1HD1      LEU  32  -8.414  25.397  28.087
  216   2HD1  LEU  32          2HD1      LEU  32  -8.559  27.138  27.842
  217   3HD1  LEU  32          3HD1      LEU  32  -7.142  26.476  28.657
  218   1HD2  LEU  32          1HD2      LEU  32 -10.851  27.005  29.071
  219   2HD2  LEU  32          2HD2      LEU  32 -10.542  27.634  30.690
  220   3HD2  LEU  32          3HD2      LEU  32  -9.773  28.384  29.291
  221    H    ASP  33           H        ASP  33 -12.172  24.196  30.817
  222    HA   ASP  33           HA       ASP  33 -12.829  22.343  32.869
  223   1HB   ASP  33          1HB       ASP  33 -13.809  23.234  30.397
  224   2HB   ASP  33          2HB       ASP  33 -13.594  21.495  30.190
  225    H    GLY  34           H        GLY  34 -12.725  19.930  32.690
  226   1HA   GLY  34          2HA       GLY  34 -11.230  18.085  32.730
  227   2HA   GLY  34          1HA       GLY  34 -10.030  19.074  31.899
  228    H    GLU  35           H        GLU  35 -13.252  18.942  30.612
  229    HA   GLU  35           HA       GLU  35 -12.784  16.707  28.794
  230   1HB   GLU  35          1HB       GLU  35 -14.994  17.455  29.714
  231   2HB   GLU  35          2HB       GLU  35 -14.851  18.930  28.759
  232   1HG   GLU  35          1HG       GLU  35 -14.344  16.906  26.918
  233   2HG   GLU  35          2HG       GLU  35 -15.637  16.244  27.918
  234    H    ASP  36           H        ASP  36 -11.523  19.782  28.869
  235    HA   ASP  36           HA       ASP  36 -11.319  19.916  25.874
  236   1HB   ASP  36          1HB       ASP  36 -11.397  22.096  27.988
  237   2HB   ASP  36          2HB       ASP  36 -11.166  22.387  26.265
  238    H    TYR  37           H        TYR  37  -9.659  20.860  28.915
  239    HA   TYR  37           HA       TYR  37  -7.059  20.232  27.559
  240   1HB   TYR  37          1HB       TYR  37  -7.313  22.625  27.567
  241   2HB   TYR  37          2HB       TYR  37  -7.873  22.617  29.240
  242    HD1  TYR  37           HD1      TYR  37  -4.982  21.045  27.426
  243    HD2  TYR  37           HD2      TYR  37  -6.286  23.513  30.691
  244    HE1  TYR  37           HE1      TYR  37  -2.639  21.241  28.215
  245    HE2  TYR  37           HE2      TYR  37  -3.942  23.708  31.479
  246    HH   TYR  37           HH       TYR  37  -1.716  21.979  31.064
  247    H    GLY  38           H        GLY  38  -5.542  19.202  28.897
  248   1HA   GLY  38          2HA       GLY  38  -6.586  18.059  31.388
  249   2HA   GLY  38          1HA       GLY  38  -5.228  19.161  31.615
  250    H    THR  39           H        THR  39  -4.115  17.172  32.423
  251    HA   THR  39           HA       THR  39  -2.576  15.918  30.252
  252    HB   THR  39           HB       THR  39  -2.488  15.466  33.250
  253    HG1  THR  39           HG1      THR  39  -1.202  17.414  31.639
  254   1HG2  THR  39          1HG2      THR  39  -1.196  14.080  31.345
  255   2HG2  THR  39          2HG2      THR  39  -0.084  15.441  31.495
  256   3HG2  THR  39          3HG2      THR  39  -0.459  14.450  32.904
  257    H    MET  40           H        MET  40  -3.231  14.020  29.325
  258    HA   MET  40           HA       MET  40  -5.331  12.393  30.614
  259   1HB   MET  40          1HB       MET  40  -5.072  13.110  28.128
  260   2HB   MET  40          2HB       MET  40  -3.877  11.819  28.035
  261   1HG   MET  40          1HG       MET  40  -5.824  10.440  29.238
  262   2HG   MET  40          2HG       MET  40  -6.833  11.645  28.437
  263   1HE   MET  40          1HE       MET  40  -7.101  12.154  26.468
  264   2HE   MET  40          2HE       MET  40  -7.548  10.790  25.433
  265   3HE   MET  40          3HE       MET  40  -6.133  11.766  25.047
  266    H    GLU  41           H        GLU  41  -4.637  10.916  32.120
  267    HA   GLU  41           HA       GLU  41  -1.930   9.772  32.019
  268   1HB   GLU  41          1HB       GLU  41  -3.967  10.281  33.919
  269   2HB   GLU  41          2HB       GLU  41  -3.760   8.530  33.883
  270   1HG   GLU  41          1HG       GLU  41  -2.074   9.021  35.364
  271   2HG   GLU  41          2HG       GLU  41  -1.168   9.265  33.872
  272    H    VAL  42           H        VAL  42  -1.685   8.250  30.377
  273    HA   VAL  42           HA       VAL  42  -3.846   6.201  30.048
  274    HB   VAL  42           HB       VAL  42  -1.545   6.842  28.189
  275   1HG1  VAL  42          1HG1      VAL  42  -4.186   5.400  27.977
  276   2HG1  VAL  42          2HG1      VAL  42  -3.387   6.043  26.542
  277   3HG1  VAL  42          3HG1      VAL  42  -2.580   4.826  27.530
  278   1HG2  VAL  42          1HG2      VAL  42  -2.906   8.888  28.733
  279   2HG2  VAL  42          2HG2      VAL  42  -2.995   8.407  27.039
  280   3HG2  VAL  42          3HG2      VAL  42  -4.330   8.040  28.132
  281    H    ALA  43           H        ALA  43  -3.353   4.374  31.205
  282    HA   ALA  43           HA       ALA  43  -0.820   3.628  32.225
  283   1HB   ALA  43          1HB       ALA  43  -3.116   2.771  32.833
  284   2HB   ALA  43          3HB       ALA  43  -1.917   1.496  32.625
  285   3HB   ALA  43          2HB       ALA  43  -3.093   1.816  31.351
  286    H    GLU  44           H        GLU  44   0.590   1.837  31.487
  287    HA   GLU  44           HA       GLU  44   1.298   2.034  28.699
  288   1HB   GLU  44          1HB       GLU  44   2.050   0.032  30.855
  289   2HB   GLU  44          2HB       GLU  44   2.931   0.287  29.349
  290   1HG   GLU  44          1HG       GLU  44   3.484   2.554  29.978
  291   2HG   GLU  44          2HG       GLU  44   2.423   2.475  31.384
  292    H    GLY  45           H        GLY  45   0.149   1.079  27.071
  293   1HA   GLY  45          2HA       GLY  45  -0.768  -1.720  27.441
  294   2HA   GLY  45          1HA       GLY  45  -0.609  -0.888  25.894
  295    H    GLU  46           H        GLU  46  -2.048   1.214  28.048
  296    HA   GLU  46           HA       GLU  46  -4.804   0.221  27.828
  297   1HB   GLU  46          1HB       GLU  46  -3.318   1.946  29.464
  298   2HB   GLU  46          2HB       GLU  46  -4.443   3.003  28.610
  299   1HG   GLU  46          1HG       GLU  46  -6.286   1.381  29.247
  300   2HG   GLU  46          2HG       GLU  46  -5.115   0.572  30.289
  301    H    TYR  47           H        TYR  47  -6.422   1.137  26.492
  302    HA   TYR  47           HA       TYR  47  -5.541   2.301  23.982
  303   1HB   TYR  47          2HB       TYR  47  -8.357   2.183  25.086
  304   2HB   TYR  47          1HB       TYR  47  -7.849   2.081  23.401
  305    HD1  TYR  47           HD1      TYR  47  -5.405   0.239  24.064
  306    HD2  TYR  47           HD2      TYR  47  -9.586   0.067  25.030
  307    HE1  TYR  47           HE1      TYR  47  -5.258  -2.229  24.262
  308    HE2  TYR  47           HE2      TYR  47  -9.439  -2.402  25.227
  309    HH   TYR  47           HH       TYR  47  -6.488  -4.139  24.370
  310    H    ILE  48           H        ILE  48  -5.496   4.461  23.414
  311    HA   ILE  48           HA       ILE  48  -5.409   6.559  25.263
  312    HB   ILE  48           HB       ILE  48  -6.251   6.514  22.349
  313   1HG1  ILE  48          1HG1      ILE  48  -3.993   5.559  22.996
  314   2HG1  ILE  48          2HG1      ILE  48  -3.927   6.924  21.880
  315   1HG2  ILE  48          1HG2      ILE  48  -5.442   8.785  24.179
  316   2HG2  ILE  48          2HG2      ILE  48  -5.380   8.908  22.421
  317   3HG2  ILE  48          3HG2      ILE  48  -6.923   8.640  23.232
  318   1HD1  ILE  48          1HD1      ILE  48  -3.607   8.429  23.886
  319   2HD1  ILE  48          2HD1      ILE  48  -3.444   6.976  24.873
  320   3HD1  ILE  48          3HD1      ILE  48  -2.274   7.312  23.597
  321    H    LEU  49           H        LEU  49  -8.212   5.754  23.157
  322    HA   LEU  49           HA       LEU  49 -10.041   7.628  24.208
  323   1HB   LEU  49          2HB       LEU  49 -11.680   6.259  23.132
  324   2HB   LEU  49          1HB       LEU  49 -10.197   6.022  22.209
  325    HG   LEU  49           HG       LEU  49  -9.803   4.035  23.886
  326   1HD1  LEU  49          1HD1      LEU  49 -12.372   4.994  24.686
  327   2HD1  LEU  49          2HD1      LEU  49 -12.592   3.403  23.959
  328   3HD1  LEU  49          3HD1      LEU  49 -11.486   3.605  25.317
  329   1HD2  LEU  49          1HD2      LEU  49 -11.043   4.297  21.325
  330   2HD2  LEU  49          2HD2      LEU  49 -10.156   2.915  21.968
  331   3HD2  LEU  49          3HD2      LEU  49 -11.898   3.037  22.216
  332    H    GLU  50           H        GLU  50  -8.920   4.585  25.564
  333    HA   GLU  50           HA       GLU  50 -11.040   4.292  27.525
  334   1HB   GLU  50          1HB       GLU  50  -9.522   2.499  26.623
  335   2HB   GLU  50          2HB       GLU  50  -8.195   3.236  27.521
  336   1HG   GLU  50          1HG       GLU  50  -9.827   3.033  29.566
  337   2HG   GLU  50          2HG       GLU  50 -10.636   1.825  28.569
  338    H    ALA  51           H        ALA  51  -7.668   5.493  27.714
  339    HA   ALA  51           HA       ALA  51  -7.695   6.176  30.478
  340   1HB   ALA  51          1HB       ALA  51  -5.755   7.578  29.819
  341   2HB   ALA  51          2HB       ALA  51  -5.692   5.988  29.058
  342   3HB   ALA  51          3HB       ALA  51  -6.214   7.391  28.127
  343    H    ALA  52           H        ALA  52  -8.641   8.029  27.610
  344    HA   ALA  52           HA       ALA  52  -9.209  10.460  29.135
  345   1HB   ALA  52          1HB       ALA  52  -9.173   9.500  26.355
  346   2HB   ALA  52          3HB       ALA  52 -10.442  10.680  26.677
  347   3HB   ALA  52          2HB       ALA  52  -8.757  11.090  26.993
  348    H    GLU  53           H        GLU  53 -11.095   7.840  27.676
  349    HA   GLU  53           HA       GLU  53 -13.702   8.890  28.229
  350   1HB   GLU  53          1HB       GLU  53 -13.400   7.097  26.667
  351   2HB   GLU  53          2HB       GLU  53 -12.541   6.118  27.856
  352   1HG   GLU  53          1HG       GLU  53 -15.294   6.983  28.585
  353   2HG   GLU  53          2HG       GLU  53 -15.162   5.773  27.309
  354    H    ALA  54           H        ALA  54 -11.325   7.283  30.236
  355    HA   ALA  54           HA       ALA  54 -13.193   6.552  32.366
  356   1HB   ALA  54          1HB       ALA  54 -10.272   6.472  31.783
  357   2HB   ALA  54          3HB       ALA  54 -10.733   6.454  33.485
  358   3HB   ALA  54          2HB       ALA  54 -11.327   5.199  32.398
  359    H    GLN  55           H        GLN  55 -11.603   9.434  31.385
  360    HA   GLN  55           HA       GLN  55 -11.711  10.634  34.108
  361   1HB   GLN  55          2HB       GLN  55 -10.721  11.730  31.456
  362   2HB   GLN  55          1HB       GLN  55 -10.399  12.405  33.053
  363   1HG   GLN  55          1HG       GLN  55  -9.659   9.652  33.120
  364   2HG   GLN  55          2HG       GLN  55  -8.950  10.358  31.668
  365   2HE2  GLN  55          2HE2      GLN  55  -8.603  10.103  35.078
  366   1HE2  GLN  55          1HE2      GLN  55  -7.402  11.285  35.274
  367    H    GLY  56           H        GLY  56 -13.456  10.541  31.109
  368   1HA   GLY  56          2HA       GLY  56 -15.264  12.682  32.147
  369   2HA   GLY  56          1HA       GLY  56 -15.794  11.341  31.131
  370    H    TYR  57           H        TYR  57 -13.474  11.539  29.333
  371    HA   TYR  57           HA       TYR  57 -13.751  14.241  28.126
  372   1HB   TYR  57          1HB       TYR  57 -11.996  11.831  27.558
  373   2HB   TYR  57          2HB       TYR  57 -11.877  13.365  26.698
  374    HD1  TYR  57           HD1      TYR  57 -12.871  14.343  29.844
  375    HD2  TYR  57           HD2      TYR  57  -9.448  12.665  27.861
  376    HE1  TYR  57           HE1      TYR  57 -11.401  15.229  31.631
  377    HE2  TYR  57           HE2      TYR  57  -7.979  13.552  29.650
  378    HH   TYR  57           HH       TYR  57  -9.192  14.754  32.597
  379    H    ASP  58           H        ASP  58 -14.655  14.554  26.068
  380    HA   ASP  58           HA       ASP  58 -16.187  12.236  24.957
  381   1HB   ASP  58          1HB       ASP  58 -17.706  13.898  24.145
  382   2HB   ASP  58          2HB       ASP  58 -17.270  14.422  25.771
  383    H    TRP  59           H        TRP  59 -16.066  11.844  22.663
  384    HA   TRP  59           HA       TRP  59 -13.987  13.374  21.164
  385   1HB   TRP  59          2HB       TRP  59 -14.143  10.356  21.452
  386   2HB   TRP  59          1HB       TRP  59 -12.951  11.239  20.498
  387    HD1  TRP  59           HD1      TRP  59 -14.094  10.790  24.142
  388    HE1  TRP  59           HE1      TRP  59 -12.112  11.347  25.693
  389    HE3  TRP  59           HE3      TRP  59 -10.683  12.379  20.689
  390    HZ2  TRP  59           HZ2      TRP  59  -9.436  12.326  25.500
  391    HZ3  TRP  59           HZ3      TRP  59  -8.427  13.115  21.402
  392    HH2  TRP  59           HH2      TRP  59  -7.800  13.090  23.799
  393    HA   PRO  60           HA       PRO  60 -17.271  13.036  18.191
  394   1HB   PRO  60          1HB       PRO  60 -15.961  14.305  16.149
  395   2HB   PRO  60          2HB       PRO  60 -16.692  15.169  17.515
  396   1HG   PRO  60          2HG       PRO  60 -13.842  14.440  17.031
  397   2HG   PRO  60          1HG       PRO  60 -14.524  15.919  17.722
  398   1HD   PRO  60          1HD       PRO  60 -13.412  13.923  19.216
  399   2HD   PRO  60          2HD       PRO  60 -14.673  15.017  19.821
  400    H    PHE  61           H        PHE  61 -17.060  12.511  15.577
  401    HA   PHE  61           HA       PHE  61 -16.475  10.893  13.951
  402   1HB   PHE  61          1HB       PHE  61 -14.172  11.742  14.861
  403   2HB   PHE  61          2HB       PHE  61 -14.122  10.188  15.694
  404    HD1  PHE  61           HD1      PHE  61 -14.576   8.069  14.258
  405    HD2  PHE  61           HD2      PHE  61 -13.514  11.890  12.610
  406    HE1  PHE  61           HE1      PHE  61 -13.858   6.963  12.157
  407    HE2  PHE  61           HE2      PHE  61 -12.797  10.786  10.508
  408    HZ   PHE  61           HZ       PHE  61 -12.969   8.321  10.282
  409    H    SER  62           H        SER  62 -16.894   8.663  13.676
  410    HA   SER  62           HA       SER  62 -16.703   6.683  15.750
  411   1HB   SER  62          1HB       SER  62 -18.912   8.533  15.856
  412   2HB   SER  62          2HB       SER  62 -19.529   6.913  15.536
  413    HG   SER  62           HG       SER  62 -18.419   7.940  17.796
  414    H    CYS  63           H        CYS  63 -16.517   4.851  14.528
  415    HA   CYS  63           HA       CYS  63 -17.264   4.694  11.762
  416   1HB   CYS  63          2HB       CYS  63 -16.737   2.472  13.762
  417   2HB   CYS  63          1HB       CYS  63 -16.527   2.385  12.013
  418    H    ARG  64           H        ARG  64 -19.621   5.523  12.459
  419    HA   ARG  64           HA       ARG  64 -21.925   4.988  12.423
  420   1HB   ARG  64          1HB       ARG  64 -20.706   3.296  10.770
  421   2HB   ARG  64          2HB       ARG  64 -21.182   2.117  11.991
  422   1HG   ARG  64          1HG       ARG  64 -23.517   2.768  11.781
  423   2HG   ARG  64          2HG       ARG  64 -23.089   4.082  10.685
  424   1HD   ARG  64          1HD       ARG  64 -22.521   1.154  10.098
  425   2HD   ARG  64          2HD       ARG  64 -23.933   2.035   9.483
  426    HE   ARG  64           HE       ARG  64 -21.220   2.325   8.508
  427   1HH1  ARG  64          1HH1      ARG  64 -21.343   5.028   9.391
  428   2HH1  ARG  64          2HH1      ARG  64 -22.278   5.850   8.186
  429   1HH2  ARG  64          1HH2      ARG  64 -23.640   2.943   6.877
  430   2HH2  ARG  64          2HH2      ARG  64 -23.579   4.670   6.763
  431    H    ALA  65           H        ALA  65 -19.964   4.311  14.840
  432    HA   ALA  65           HA       ALA  65 -20.239   3.448  17.026
  433   1HB   ALA  65          1HB       ALA  65 -23.130   3.761  16.145
  434   2HB   ALA  65          2HB       ALA  65 -22.130   5.033  16.845
  435   3HB   ALA  65          3HB       ALA  65 -22.582   3.632  17.816
  436    H    GLY  66           H        GLY  66 -22.173   1.695  18.059
  437   1HA   GLY  66          2HA       GLY  66 -22.200  -0.645  16.228
  438   2HA   GLY  66          1HA       GLY  66 -23.138  -0.498  17.715
  439    H    ALA  67           H        ALA  67 -19.965  -1.227  16.387
  440    HA   ALA  67           HA       ALA  67 -19.229  -2.436  19.031
  441   1HB   ALA  67          1HB       ALA  67 -19.635  -3.728  16.757
  442   2HB   ALA  67          3HB       ALA  67 -17.995  -3.183  16.398
  443   3HB   ALA  67          2HB       ALA  67 -18.300  -4.194  17.811
  444    H    CYS  68           H        CYS  68 -18.627   0.303  17.395
  445    HA   CYS  68           HA       CYS  68 -15.676   0.262  17.938
  446   1HB   CYS  68          1HB       CYS  68 -17.165   0.899  15.659
  447   2HB   CYS  68          2HB       CYS  68 -16.722   2.467  16.333
  448    H    ALA  69           H        ALA  69 -14.804   2.013  19.148
  449    HA   ALA  69           HA       ALA  69 -16.700   3.353  20.956
  450   1HB   ALA  69          1HB       ALA  69 -14.261   4.289  21.628
  451   2HB   ALA  69          2HB       ALA  69 -13.769   2.872  20.702
  452   3HB   ALA  69          3HB       ALA  69 -14.817   2.686  22.107
  453    H    ASN  70           H        ASN  70 -13.818   4.984  19.804
  454    HA   ASN  70           HA       ASN  70 -15.012   6.724  17.867
  455   1HB   ASN  70          1HB       ASN  70 -15.128   8.725  19.527
  456   2HB   ASN  70          2HB       ASN  70 -16.437   7.544  19.568
  457   2HD2  ASN  70          2HD2      ASN  70 -13.164   7.929  21.069
  458   1HD2  ASN  70          1HD2      ASN  70 -13.655   7.411  22.610
  459    H    CYS  71           H        CYS  71 -13.512   8.428  17.224
  460    HA   CYS  71           HA       CYS  71 -11.008   8.842  18.660
  461   1HB   CYS  71          1HB       CYS  71  -9.698   7.794  16.683
  462   2HB   CYS  71          2HB       CYS  71 -10.428   6.692  17.849
  463    H    ALA  72           H        ALA  72 -10.256  10.833  18.060
  464    HA   ALA  72           HA       ALA  72 -10.117  11.849  15.398
  465   1HB   ALA  72          1HB       ALA  72 -12.708  11.664  16.272
  466   2HB   ALA  72          3HB       ALA  72 -12.306  13.314  16.747
  467   3HB   ALA  72          2HB       ALA  72 -12.161  12.821  15.060
  468    H    SER  73           H        SER  73  -8.083  12.528  16.425
  469    HA   SER  73           HA       SER  73  -8.397  15.054  17.999
  470   1HB   SER  73          1HB       SER  73  -6.193  13.951  19.124
  471   2HB   SER  73          2HB       SER  73  -7.819  13.692  19.753
  472    HG   SER  73           HG       SER  73  -6.807  12.048  17.715
  473    H    ILE  74           H        ILE  74  -5.803  15.765  18.301
  474    HA   ILE  74           HA       ILE  74  -4.479  15.533  15.636
  475    HB   ILE  74           HB       ILE  74  -5.249  18.080  17.095
  476   1HG1  ILE  74          1HG1      ILE  74  -7.087  16.937  15.860
  477   2HG1  ILE  74          2HG1      ILE  74  -6.659  18.486  15.135
  478   1HG2  ILE  74          1HG2      ILE  74  -2.987  18.036  15.883
  479   2HG2  ILE  74          2HG2      ILE  74  -3.912  17.842  14.395
  480   3HG2  ILE  74          3HG2      ILE  74  -4.121  19.289  15.380
  481   1HD1  ILE  74          1HD1      ILE  74  -5.236  17.317  13.485
  482   2HD1  ILE  74          2HD1      ILE  74  -5.679  15.769  14.204
  483   3HD1  ILE  74          3HD1      ILE  74  -6.904  16.751  13.400
  484    H    VAL  75           H        VAL  75  -2.985  14.200  17.034
  485    HA   VAL  75           HA       VAL  75  -1.607  14.937  19.321
  486    HB   VAL  75           HB       VAL  75  -1.271  12.838  18.131
  487   1HG1  VAL  75          1HG1      VAL  75  -0.837  14.647  15.911
  488   2HG1  VAL  75          2HG1      VAL  75   0.505  13.512  16.050
  489   3HG1  VAL  75          3HG1      VAL  75  -1.144  12.911  15.883
  490   1HG2  VAL  75          1HG2      VAL  75   1.178  14.585  18.418
  491   2HG2  VAL  75          2HG2      VAL  75   0.589  13.341  19.522
  492   3HG2  VAL  75          3HG2      VAL  75   1.299  12.882  17.975
  493    H    LYS  76           H        LYS  76  -0.567  16.829  19.829
  494    HA   LYS  76           HA       LYS  76   0.446  18.565  17.647
  495   1HB   LYS  76          1HB       LYS  76  -0.642  18.827  20.308
  496   2HB   LYS  76          2HB       LYS  76   0.910  19.660  20.220
  497   1HG   LYS  76          2HG       LYS  76  -1.420  20.037  18.311
  498   2HG   LYS  76          1HG       LYS  76  -0.915  21.175  19.561
  499   1HD   LYS  76          1HD       LYS  76   1.169  20.286  17.623
  500   2HD   LYS  76          2HD       LYS  76  -0.075  21.379  17.014
  501   1HE   LYS  76          1HE       LYS  76   0.438  23.005  18.776
  502   2HE   LYS  76          2HE       LYS  76   1.622  21.891  19.488
  503   1HZ   LYS  76          1HZ       LYS  76   2.410  21.874  16.955
  504   2HZ   LYS  76          2HZ       LYS  76   1.778  23.449  17.023
  505   3HZ   LYS  76          3HZ       LYS  76   3.015  22.984  18.088
  506    H    GLU  77           H        GLU  77   1.650  16.201  19.820
  507    HA   GLU  77           HA       GLU  77   4.356  16.442  18.889
  508   1HB   GLU  77          1HB       GLU  77   3.677  18.467  20.583
  509   2HB   GLU  77          2HB       GLU  77   4.283  17.276  21.734
  510   1HG   GLU  77          1HG       GLU  77   6.161  17.144  19.722
  511   2HG   GLU  77          2HG       GLU  77   5.746  18.857  19.731
  512    H    GLY  78           H        GLY  78   4.913  14.303  19.045
  513   1HA   GLY  78          2HA       GLY  78   3.900  12.737  21.365
  514   2HA   GLY  78          1HA       GLY  78   5.632  12.738  21.034
  515    H    GLU  79           H        GLU  79   4.450  10.310  20.953
  516    HA   GLU  79           HA       GLU  79   3.759   9.734  18.109
  517   1HB   GLU  79          1HB       GLU  79   5.558   8.125  17.952
  518   2HB   GLU  79          2HB       GLU  79   6.258   9.632  18.544
  519   1HG   GLU  79          1HG       GLU  79   5.813   8.666  20.909
  520   2HG   GLU  79          2HG       GLU  79   5.630   7.116  20.087
  521    H    ILE  80           H        ILE  80   2.051   8.327  18.099
  522    HA   ILE  80           HA       ILE  80   1.560   6.689  20.560
  523    HB   ILE  80           HB       ILE  80  -0.292   7.673  18.366
  524   1HG1  ILE  80          1HG1      ILE  80  -0.132   8.571  21.252
  525   2HG1  ILE  80          2HG1      ILE  80   0.716   9.401  19.947
  526   1HG2  ILE  80          1HG2      ILE  80  -0.646   5.917  20.762
  527   2HG2  ILE  80          2HG2      ILE  80  -1.946   7.037  20.354
  528   3HG2  ILE  80          3HG2      ILE  80  -1.425   5.827  19.182
  529   1HD1  ILE  80          1HD1      ILE  80  -2.274   8.893  20.005
  530   2HD1  ILE  80          2HD1      ILE  80  -1.511  10.417  20.456
  531   3HD1  ILE  80          3HD1      ILE  80  -1.393   9.829  18.797
  532    H    ASP  81           H        ASP  81   0.797   4.485  20.221
  533    HA   ASP  81           HA       ASP  81   1.916   3.261  17.751
  534   1HB   ASP  81          1HB       ASP  81   1.483   2.556  20.575
  535   2HB   ASP  81          2HB       ASP  81   1.086   1.249  19.458
  536    H    MET  82           H        MET  82   0.512   2.741  16.125
  537    HA   MET  82           HA       MET  82  -2.327   2.096  16.856
  538   1HB   MET  82          1HB       MET  82  -2.224   4.301  15.880
  539   2HB   MET  82          2HB       MET  82  -1.159   3.739  14.593
  540   1HG   MET  82          1HG       MET  82  -3.131   2.094  14.048
  541   2HG   MET  82          2HG       MET  82  -4.101   3.243  14.966
  542   1HE   MET  82          1HE       MET  82  -3.736   2.093  11.935
  543   2HE   MET  82          2HE       MET  82  -3.419   3.337  10.717
  544   3HE   MET  82          3HE       MET  82  -2.085   2.610  11.609
  545    H    ASP  83           H        ASP  83  -1.998  -0.189  16.692
  546    HA   ASP  83           HA       ASP  83  -0.542  -1.663  14.840
  547   1HB   ASP  83          1HB       ASP  83  -2.307  -3.390  15.209
  548   2HB   ASP  83          2HB       ASP  83  -1.839  -2.590  16.709
  549    H    MET  84           H        MET  84  -1.293  -2.771  12.821
  550    HA   MET  84           HA       MET  84  -2.297  -0.934  10.866
  551   1HB   MET  84          1HB       MET  84  -1.553  -3.803  11.086
  552   2HB   MET  84          2HB       MET  84  -2.592  -3.377   9.725
  553   1HG   MET  84          1HG       MET  84  -0.037  -1.894  10.398
  554   2HG   MET  84          2HG       MET  84  -0.110  -3.225   9.243
  555   1HE   MET  84          1HE       MET  84   0.877  -2.136   7.693
  556   2HE   MET  84          2HE       MET  84  -0.345  -2.272   6.430
  557   3HE   MET  84          3HE       MET  84   0.408  -0.708   6.775
  558    H    GLN  85           H        GLN  85  -4.365  -0.762   9.926
  559    HA   GLN  85           HA       GLN  85  -6.545  -2.576  10.398
  560   1HB   GLN  85          1HB       GLN  85  -5.834  -0.740  12.503
  561   2HB   GLN  85          2HB       GLN  85  -7.433  -0.325  11.887
  562   1HG   GLN  85          1HG       GLN  85  -8.002  -2.808  12.073
  563   2HG   GLN  85          2HG       GLN  85  -6.505  -2.987  12.987
  564   2HE2  GLN  85          2HE2      GLN  85  -9.800  -1.789  13.126
  565   1HE2  GLN  85          1HE2      GLN  85  -9.758  -1.301  14.751
  566    H    GLN  86           H        GLN  86  -5.569   0.791   9.811
  567    HA   GLN  86           HA       GLN  86  -7.639   0.926   7.650
  568   1HB   GLN  86          1HB       GLN  86  -7.353   2.459  10.118
  569   2HB   GLN  86          2HB       GLN  86  -7.365   3.505   8.698
  570   1HG   GLN  86          1HG       GLN  86  -9.378   1.314   8.753
  571   2HG   GLN  86          2HG       GLN  86  -9.630   2.643   9.885
  572   2HE2  GLN  86          2HE2      GLN  86 -10.419   1.685   6.798
  573   1HE2  GLN  86          1HE2      GLN  86 -10.642   3.205   6.079
  574    H    ILE  87           H        ILE  87  -6.733   1.573   5.733
  575    HA   ILE  87           HA       ILE  87  -4.025   1.911   5.215
  576    HB   ILE  87           HB       ILE  87  -5.767   1.652   3.517
  577   1HG1  ILE  87          1HG1      ILE  87  -4.980   4.207   2.492
  578   2HG1  ILE  87          2HG1      ILE  87  -3.624   3.530   3.393
  579   1HG2  ILE  87          1HG2      ILE  87  -7.249   3.367   4.917
  580   2HG2  ILE  87          2HG2      ILE  87  -6.562   4.524   3.777
  581   3HG2  ILE  87          3HG2      ILE  87  -7.498   3.152   3.184
  582   1HD1  ILE  87          1HD1      ILE  87  -4.380   1.317   2.073
  583   2HD1  ILE  87          2HD1      ILE  87  -4.952   2.524   0.921
  584   3HD1  ILE  87          3HD1      ILE  87  -3.250   2.481   1.379
  585    H    LEU  88           H        LEU  88  -2.867   3.251   6.650
  586    HA   LEU  88           HA       LEU  88  -3.582   6.165   6.571
  587   1HB   LEU  88          1HB       LEU  88  -3.739   4.496   8.731
  588   2HB   LEU  88          2HB       LEU  88  -2.090   5.098   8.896
  589    HG   LEU  88           HG       LEU  88  -3.283   7.429   8.373
  590   1HD1  LEU  88          1HD1      LEU  88  -5.504   6.165   8.135
  591   2HD1  LEU  88          2HD1      LEU  88  -5.443   5.947   9.885
  592   3HD1  LEU  88          3HD1      LEU  88  -5.514   7.571   9.201
  593   1HD2  LEU  88          1HD2      LEU  88  -1.981   6.716  10.423
  594   2HD2  LEU  88          2HD2      LEU  88  -3.292   7.851  10.748
  595   3HD2  LEU  88          3HD2      LEU  88  -3.501   6.136  11.104
  596    H    SER  89           H        SER  89  -1.475   7.432   7.385
  597    HA   SER  89           HA       SER  89   1.050   6.169   6.504
  598   1HB   SER  89          1HB       SER  89  -0.218   6.999   4.473
  599   2HB   SER  89          2HB       SER  89  -0.065   8.629   5.128
  600    HG   SER  89           HG       SER  89   1.684   8.429   3.876
  601    H    ASP  90           H        ASP  90   2.913   7.658   6.909
  602    HA   ASP  90           HA       ASP  90   2.699   9.016   9.431
  603   1HB   ASP  90          1HB       ASP  90   5.050   9.739   8.766
  604   2HB   ASP  90          2HB       ASP  90   4.760   8.000   8.710
  605    H    GLU  91           H        GLU  91   2.560  10.124   6.082
  606    HA   GLU  91           HA       GLU  91   2.925  12.913   6.471
  607   1HB   GLU  91          1HB       GLU  91   1.799  13.075   4.317
  608   2HB   GLU  91          2HB       GLU  91   2.796  11.619   4.315
  609   1HG   GLU  91          1HG       GLU  91   0.588  10.488   5.232
  610   2HG   GLU  91          2HG       GLU  91  -0.190  11.877   4.471
  611    H    GLU  92           H        GLU  92   0.214  10.831   7.221
  612    HA   GLU  92           HA       GLU  92  -1.750  12.981   7.461
  613   1HB   GLU  92          1HB       GLU  92  -1.569  10.054   8.179
  614   2HB   GLU  92          2HB       GLU  92  -2.975  11.017   8.636
  615   1HG   GLU  92          1HG       GLU  92  -2.735  11.737   6.032
  616   2HG   GLU  92          2HG       GLU  92  -2.102  10.093   5.954
  617    H    VAL  93           H        VAL  93   0.418  11.231   9.666
  618    HA   VAL  93           HA       VAL  93  -0.721  12.443  12.074
  619    HB   VAL  93           HB       VAL  93   0.499  10.180  11.743
  620   1HG1  VAL  93          1HG1      VAL  93   2.536  11.890  10.875
  621   2HG1  VAL  93          2HG1      VAL  93   3.053  11.374  12.479
  622   3HG1  VAL  93          3HG1      VAL  93   2.700  10.173  11.238
  623   1HG2  VAL  93          1HG2      VAL  93   0.011  11.650  13.940
  624   2HG2  VAL  93          2HG2      VAL  93   0.892  10.123  14.010
  625   3HG2  VAL  93          3HG2      VAL  93   1.774  11.650  14.002
  626    H    GLU  94           H        GLU  94   1.638  13.338   9.699
  627    HA   GLU  94           HA       GLU  94   2.860  15.384  11.489
  628   1HB   GLU  94          1HB       GLU  94   4.230  13.843  10.052
  629   2HB   GLU  94          2HB       GLU  94   3.485  14.571   8.630
  630   1HG   GLU  94          1HG       GLU  94   4.309  16.800   9.974
  631   2HG   GLU  94          2HG       GLU  94   5.567  15.652  10.435
  632    H    GLU  95           H        GLU  95   0.994  15.054   8.479
  633    HA   GLU  95           HA       GLU  95   0.764  17.997   8.203
  634   1HB   GLU  95          1HB       GLU  95   1.057  16.045   6.405
  635   2HB   GLU  95          2HB       GLU  95  -0.701  16.002   6.515
  636   1HG   GLU  95          1HG       GLU  95   0.514  18.700   6.281
  637   2HG   GLU  95          2HG       GLU  95   0.636  17.674   4.851
  638    H    LYS  96           H        LYS  96  -1.123  15.213   9.236
  639    HA   LYS  96           HA       LYS  96  -3.519  16.972   9.620
  640   1HB   LYS  96          1HB       LYS  96  -3.047  14.317   8.609
  641   2HB   LYS  96          2HB       LYS  96  -4.093  14.215  10.026
  642   1HG   LYS  96          1HG       LYS  96  -5.570  14.538   8.186
  643   2HG   LYS  96          2HG       LYS  96  -5.451  16.117   8.962
  644   1HD   LYS  96          2HD       LYS  96  -5.162  16.582   6.658
  645   2HD   LYS  96          1HD       LYS  96  -3.522  16.571   7.303
  646   1HE   LYS  96          2HE       LYS  96  -3.024  14.998   5.740
  647   2HE   LYS  96          1HE       LYS  96  -4.084  13.884   6.624
  648   1HZ   LYS  96          1HZ       LYS  96  -5.891  15.381   5.395
  649   2HZ   LYS  96          2HZ       LYS  96  -4.639  15.497   4.254
  650   3HZ   LYS  96          3HZ       LYS  96  -5.250  13.974   4.693
  651    H    ASP  97           H        ASP  97  -1.064  15.139  11.248
  652    HA   ASP  97           HA       ASP  97  -0.645  14.796  13.548
  653   1HB   ASP  97          1HB       ASP  97  -2.368  17.211  13.285
  654   2HB   ASP  97          2HB       ASP  97  -2.193  16.539  14.907
  655    H    VAL  98           H        VAL  98  -3.176  13.610  12.070
  656    HA   VAL  98           HA       VAL  98  -4.977  13.092  14.349
  657    HB   VAL  98           HB       VAL  98  -5.795  13.481  12.047
  658   1HG1  VAL  98          1HG1      VAL  98  -3.617  11.860  11.357
  659   2HG1  VAL  98          2HG1      VAL  98  -5.036  10.883  10.976
  660   3HG1  VAL  98          3HG1      VAL  98  -4.848  12.483  10.257
  661   1HG2  VAL  98          1HG2      VAL  98  -6.984  11.920  13.676
  662   2HG2  VAL  98          2HG2      VAL  98  -7.365  11.671  11.972
  663   3HG2  VAL  98          3HG2      VAL  98  -6.247  10.582  12.793
  664    H    ARG  99           H        ARG  99  -5.450  10.855  15.032
  665    HA   ARG  99           HA       ARG  99  -3.556   8.724  14.299
  666   1HB   ARG  99          1HB       ARG  99  -2.601  10.437  16.074
  667   2HB   ARG  99          2HB       ARG  99  -3.628   9.536  17.189
  668   1HG   ARG  99          1HG       ARG  99  -1.988   7.994  17.327
  669   2HG   ARG  99          2HG       ARG  99  -2.322   7.582  15.644
  670   1HD   ARG  99          1HD       ARG  99  -0.754   9.458  14.967
  671   2HD   ARG  99          2HD       ARG  99  -0.301   9.600  16.677
  672    HE   ARG  99           HE       ARG  99   0.197   7.054  16.475
  673   1HH1  ARG  99          1HH1      ARG  99  -0.450   8.132  13.425
  674   2HH1  ARG  99          2HH1      ARG  99   1.096   7.751  12.742
  675   1HH2  ARG  99          1HH2      ARG  99   2.573   7.060  15.802
  676   2HH2  ARG  99          2HH2      ARG  99   2.808   7.143  14.089
  677    H    LEU 100           H        LEU 100  -4.501   6.725  14.680
  678    HA   LEU 100           HA       LEU 100  -7.261   6.480  15.289
  679   1HB   LEU 100          1HB       LEU 100  -5.353   4.911  14.245
  680   2HB   LEU 100          2HB       LEU 100  -5.369   4.247  15.879
  681    HG   LEU 100           HG       LEU 100  -7.855   3.978  15.681
  682   1HD1  LEU 100          1HD1      LEU 100  -7.348   5.508  13.283
  683   2HD1  LEU 100          2HD1      LEU 100  -8.126   3.982  12.868
  684   3HD1  LEU 100          3HD1      LEU 100  -8.895   5.080  14.015
  685   1HD2  LEU 100          1HD2      LEU 100  -5.812   2.550  14.092
  686   2HD2  LEU 100          2HD2      LEU 100  -6.987   1.916  15.244
  687   3HD2  LEU 100          3HD2      LEU 100  -7.477   2.264  13.585
  688    H    THR 101           H        THR 101  -8.044   7.197  17.261
  689    HA   THR 101           HA       THR 101  -6.534   6.912  19.746
  690    HB   THR 101           HB       THR 101  -9.467   7.565  19.379
  691    HG1  THR 101           HG1      THR 101  -8.896   9.299  18.373
  692   1HG2  THR 101          1HG2      THR 101  -8.403   7.290  21.681
  693   2HG2  THR 101          2HG2      THR 101  -7.443   8.721  21.303
  694   3HG2  THR 101          3HG2      THR 101  -9.202   8.833  21.382
  695    H    CYS 102           H        CYS 102  -8.529   4.838  17.916
  696    HA   CYS 102           HA       CYS 102  -9.510   3.306  20.261
  697   1HB   CYS 102          1HB       CYS 102  -9.830   3.005  17.256
  698   2HB   CYS 102          2HB       CYS 102 -10.655   2.007  18.453
  699    H    ILE 103           H        ILE 103  -8.510   1.426  20.942
  700    HA   ILE 103           HA       ILE 103  -6.906  -0.308  21.039
  701    HB   ILE 103           HB       ILE 103  -7.324  -0.025  18.045
  702   1HG1  ILE 103          2HG1      ILE 103  -8.599  -2.307  19.169
  703   2HG1  ILE 103          1HG1      ILE 103  -9.018  -0.923  20.180
  704   1HG2  ILE 103          1HG2      ILE 103  -5.722  -1.880  19.700
  705   2HG2  ILE 103          2HG2      ILE 103  -6.767  -2.658  18.511
  706   3HG2  ILE 103          3HG2      ILE 103  -5.567  -1.475  17.990
  707   1HD1  ILE 103          1HD1      ILE 103  -9.105  -0.486  17.238
  708   2HD1  ILE 103          2HD1      ILE 103 -10.356  -1.530  17.913
  709   3HD1  ILE 103          3HD1      ILE 103 -10.178   0.123  18.498
  710    H    GLY 104           H        GLY 104  -6.115   2.684  20.403
  711   1HA   GLY 104          2HA       GLY 104  -4.149   3.716  19.369
  712   2HA   GLY 104          1HA       GLY 104  -3.391   2.125  19.324
  713    H    SER 105           H        SER 105  -1.686   2.161  20.717
  714    HA   SER 105           HA       SER 105  -2.181   3.182  23.489
  715   1HB   SER 105          2HB       SER 105  -0.740   1.470  24.197
  716   2HB   SER 105          1HB       SER 105  -1.527   0.725  22.805
  717    HG   SER 105           HG       SER 105   0.922   0.762  23.024
  718    HA   PRO 106           HA       PRO 106   0.756   6.370  22.730
  719   1HB   PRO 106          1HB       PRO 106   1.522   6.873  25.310
  720   2HB   PRO 106          2HB       PRO 106  -0.043   7.381  24.649
  721   1HG   PRO 106          2HG       PRO 106   0.624   5.041  26.373
  722   2HG   PRO 106          1HG       PRO 106  -0.783   6.113  26.425
  723   1HD   PRO 106          1HD       PRO 106  -0.823   3.620  25.313
  724   2HD   PRO 106          2HD       PRO 106  -1.889   4.941  24.793
  725    H    ALA 107           H        ALA 107   2.954   6.404  22.273
  726    HA   ALA 107           HA       ALA 107   4.616   4.185  23.421
  727   1HB   ALA 107          1HB       ALA 107   4.662   5.663  20.772
  728   2HB   ALA 107          3HB       ALA 107   4.227   3.975  21.037
  729   3HB   ALA 107          2HB       ALA 107   5.895   4.501  21.260
  730    H    ALA 108           H        ALA 108   4.150   7.525  23.487
  731    HA   ALA 108           HA       ALA 108   7.027   8.009  24.200
  732   1HB   ALA 108          1HB       ALA 108   6.723   9.449  22.444
  733   2HB   ALA 108          3HB       ALA 108   4.970   9.455  22.627
  734   3HB   ALA 108          2HB       ALA 108   5.968  10.465  23.672
  735    H    ASP 109           H        ASP 109   7.428   9.095  26.159
  736    HA   ASP 109           HA       ASP 109   5.680   8.802  28.345
  737   1HB   ASP 109          1HB       ASP 109   8.220   9.956  27.713
  738   2HB   ASP 109          2HB       ASP 109   7.330  11.114  28.702
  739    H    GLU 110           H        GLU 110   6.555  12.078  27.277
  740    HA   GLU 110           HA       GLU 110   3.785  12.968  27.897
  741   1HB   GLU 110          1HB       GLU 110   5.714  14.108  28.915
  742   2HB   GLU 110          2HB       GLU 110   6.377  14.441  27.315
  743   1HG   GLU 110          1HG       GLU 110   5.020  16.225  27.025
  744   2HG   GLU 110          2HG       GLU 110   3.603  15.321  27.559
  745    H    VAL 111           H        VAL 111   2.389  13.033  26.181
  746    HA   VAL 111           HA       VAL 111   3.485  13.828  23.501
  747    HB   VAL 111           HB       VAL 111   1.362  11.806  24.282
  748   1HG1  VAL 111          1HG1      VAL 111   1.415  13.391  21.982
  749   2HG1  VAL 111          2HG1      VAL 111   2.154  11.870  21.477
  750   3HG1  VAL 111          3HG1      VAL 111   0.537  11.874  22.181
  751   1HG2  VAL 111          1HG2      VAL 111   4.131  11.576  24.051
  752   2HG2  VAL 111          2HG2      VAL 111   2.974  10.246  24.014
  753   3HG2  VAL 111          3HG2      VAL 111   3.526  10.977  22.507
  754    H    LYS 112           H        LYS 112   2.536  15.667  22.722
  755    HA   LYS 112           HA       LYS 112   0.197  16.813  24.106
  756   1HB   LYS 112          1HB       LYS 112   1.932  17.744  21.793
  757   2HB   LYS 112          2HB       LYS 112   0.730  18.736  22.616
  758   1HG   LYS 112          1HG       LYS 112   2.627  17.422  24.440
  759   2HG   LYS 112          2HG       LYS 112   3.385  18.565  23.333
  760   1HD   LYS 112          1HD       LYS 112   1.284  20.060  24.046
  761   2HD   LYS 112          2HD       LYS 112   1.380  19.056  25.492
  762   1HE   LYS 112          1HE       LYS 112   2.949  20.577  26.177
  763   2HE   LYS 112          2HE       LYS 112   4.032  19.715  25.068
  764   1HZ   LYS 112          1HZ       LYS 112   2.203  21.655  23.880
  765   2HZ   LYS 112          2HZ       LYS 112   3.471  22.299  24.808
  766   3HZ   LYS 112          3HZ       LYS 112   3.815  21.299  23.479
  767    H    ILE 113           H        ILE 113  -1.849  17.064  23.144
  768    HA   ILE 113           HA       ILE 113  -2.293  16.362  20.322
  769    HB   ILE 113           HB       ILE 113  -2.141  14.166  21.325
  770   1HG1  ILE 113          1HG1      ILE 113  -5.108  14.563  21.325
  771   2HG1  ILE 113          2HG1      ILE 113  -4.220  14.921  19.843
  772   1HG2  ILE 113          1HG2      ILE 113  -3.444  15.556  23.543
  773   2HG2  ILE 113          2HG2      ILE 113  -4.198  14.001  23.191
  774   3HG2  ILE 113          3HG2      ILE 113  -2.476  14.083  23.560
  775   1HD1  ILE 113          1HD1      ILE 113  -3.087  12.569  20.386
  776   2HD1  ILE 113          2HD1      ILE 113  -4.605  12.306  21.243
  777   3HD1  ILE 113          3HD1      ILE 113  -4.618  12.666  19.517
  778    H    VAL 114           H        VAL 114  -4.242  17.240  19.590
  779    HA   VAL 114           HA       VAL 114  -5.888  18.699  21.629
  780    HB   VAL 114           HB       VAL 114  -5.733  19.201  18.648
  781   1HG1  VAL 114          1HG1      VAL 114  -7.548  20.251  20.042
  782   2HG1  VAL 114          2HG1      VAL 114  -6.290  21.058  20.979
  783   3HG1  VAL 114          3HG1      VAL 114  -6.483  21.422  19.264
  784   1HG2  VAL 114          1HG2      VAL 114  -3.684  19.624  20.697
  785   2HG2  VAL 114          2HG2      VAL 114  -3.555  19.743  18.941
  786   3HG2  VAL 114          3HG2      VAL 114  -4.142  21.118  19.877
  787    H    TYR 115           H        TYR 115  -7.878  17.759  21.971
  788    HA   TYR 115           HA       TYR 115  -8.887  15.759  20.063
  789   1HB   TYR 115          2HB       TYR 115  -9.973  14.962  21.906
  790   2HB   TYR 115          1HB       TYR 115  -8.862  16.013  22.775
  791    HD1  TYR 115           HD1      TYR 115  -9.685  18.550  23.004
  792    HD2  TYR 115           HD2      TYR 115 -12.243  15.164  22.328
  793    HE1  TYR 115           HE1      TYR 115 -11.608  19.822  23.902
  794    HE2  TYR 115           HE2      TYR 115 -14.168  16.442  23.229
  795    HH   TYR 115           HH       TYR 115 -13.940  19.854  23.929
  796    H    ASN 116           H        ASN 116 -11.603  16.035  20.153
  797    HA   ASN 116           HA       ASN 116 -13.452  17.289  19.346
  798   1HB   ASN 116          1HB       ASN 116 -11.703  19.173  20.551
  799   2HB   ASN 116          2HB       ASN 116 -12.167  19.851  18.994
  800   2HD2  ASN 116          2HD2      ASN 116 -14.098  17.719  21.153
  801   1HD2  ASN 116          1HD2      ASN 116 -15.360  18.832  21.375
  802    H    ALA 117           H        ALA 117 -11.044  16.187  17.748
  803    HA   ALA 117           HA       ALA 117 -10.258  17.499  15.497
  804   1HB   ALA 117          1HB       ALA 117  -9.743  15.193  15.841
  805   2HB   ALA 117          3HB       ALA 117 -11.448  14.742  15.824
  806   3HB   ALA 117          2HB       ALA 117 -10.658  15.256  14.334
  807    H    LYS 118           H        LYS 118 -13.596  16.621  16.205
  808    HA   LYS 118           HA       LYS 118 -14.911  16.668  13.792
  809   1HB   LYS 118          1HB       LYS 118 -16.759  17.753  15.046
  810   2HB   LYS 118          2HB       LYS 118 -15.964  16.510  16.012
  811   1HG   LYS 118          1HG       LYS 118 -15.124  18.022  17.498
  812   2HG   LYS 118          2HG       LYS 118 -14.797  19.219  16.247
  813   1HD   LYS 118          1HD       LYS 118 -17.587  18.556  17.222
  814   2HD   LYS 118          2HD       LYS 118 -16.618  19.872  17.885
  815   1HE   LYS 118          1HE       LYS 118 -16.442  20.858  15.596
  816   2HE   LYS 118          2HE       LYS 118 -17.504  19.573  14.991
  817    H    HIS 119           H        HIS 119 -13.192  19.371  15.237
  818    HA   HIS 119           HA       HIS 119 -14.372  21.498  13.718
  819   1HB   HIS 119          1HB       HIS 119 -12.218  22.630  14.381
  820   2HB   HIS 119          2HB       HIS 119 -13.050  21.849  15.726
  821    HD1  HIS 119           HD1      HIS 119 -10.419  20.846  13.135
  822    HD2  HIS 119           HD2      HIS 119 -11.330  20.232  17.162
  823    HE1  HIS 119           HE1      HIS 119  -8.556  19.417  14.082
  824    H    LEU 120           H        LEU 120 -12.025  19.037  12.904
  825    HA   LEU 120           HA       LEU 120 -10.497  20.141  10.864
  826   1HB   LEU 120          1HB       LEU 120 -11.159  17.625  11.834
  827   2HB   LEU 120          2HB       LEU 120 -11.683  17.557  10.152
  828    HG   LEU 120           HG       LEU 120  -9.090  18.866  10.438
  829   1HD1  LEU 120          1HD1      LEU 120  -9.565  16.523  12.049
  830   2HD1  LEU 120          2HD1      LEU 120  -8.418  16.135  10.767
  831   3HD1  LEU 120          3HD1      LEU 120  -8.082  17.461  11.879
  832   1HD2  LEU 120          1HD2      LEU 120 -10.487  16.891   8.747
  833   2HD2  LEU 120          2HD2      LEU 120  -9.362  18.169   8.288
  834   3HD2  LEU 120          3HD2      LEU 120  -8.749  16.630   8.893
  835    H    ASP 121           H        ASP 121 -10.848  20.701   8.696
  836    HA   ASP 121           HA       ASP 121 -13.506  21.487   7.896
  837   1HB   ASP 121          1HB       ASP 121 -10.766  21.740   7.054
  838   2HB   ASP 121          2HB       ASP 121 -11.754  21.293   5.663
  839    H    TYR 122           H        TYR 122 -11.361  18.815   6.849
  840    HA   TYR 122           HA       TYR 122 -12.982  17.688   4.838
  841   1HB   TYR 122          1HB       TYR 122 -10.709  16.962   5.320
  842   2HB   TYR 122          2HB       TYR 122 -11.180  16.428   6.933
  843    HD1  TYR 122           HD1      TYR 122 -13.282  15.989   3.919
  844    HD2  TYR 122           HD2      TYR 122 -10.569  14.100   6.663
  845    HE1  TYR 122           HE1      TYR 122 -13.899  13.770   3.002
  846    HE2  TYR 122           HE2      TYR 122 -11.186  11.880   5.745
  847    HH   TYR 122           HH       TYR 122 -12.824  11.482   2.849
  848    H    LEU 123           H        LEU 123 -13.362  17.672   8.312
  849    HA   LEU 123           HA       LEU 123 -15.472  15.588   8.228
  850   1HB   LEU 123          1HB       LEU 123 -13.582  16.660  10.097
  851   2HB   LEU 123          2HB       LEU 123 -15.200  16.882  10.764
  852    HG   LEU 123           HG       LEU 123 -13.923  14.297   9.839
  853   1HD1  LEU 123          1HD1      LEU 123 -13.885  15.535  12.285
  854   2HD1  LEU 123          2HD1      LEU 123 -15.315  14.513  12.433
  855   3HD1  LEU 123          3HD1      LEU 123 -13.751  13.792  12.052
  856   1HD2  LEU 123          1HD2      LEU 123 -16.763  15.098  10.044
  857   2HD2  LEU 123          2HD2      LEU 123 -16.029  13.781   9.131
  858   3HD2  LEU 123          3HD2      LEU 123 -16.356  13.586  10.853
  859    H    GLN 124           H        GLN 124 -15.095  19.080   8.751
  860    HA   GLN 124           HA       GLN 124 -17.739  19.682   9.620
  861   1HB   GLN 124          1HB       GLN 124 -15.483  21.052   9.364
  862   2HB   GLN 124          2HB       GLN 124 -16.186  21.498   7.810
  863   1HG   GLN 124          1HG       GLN 124 -17.429  23.046   8.873
  864   2HG   GLN 124          2HG       GLN 124 -18.264  21.739   9.713
  865   2HE2  GLN 124          2HE2      GLN 124 -18.380  23.044  11.704
  866   1HE2  GLN 124          1HE2      GLN 124 -17.000  23.295  12.659
  867    H    ASN 125           H        ASN 125 -16.350  19.532   6.347
  868    HA   ASN 125           HA       ASN 125 -18.744  20.310   4.952
  869   1HB   ASN 125          1HB       ASN 125 -16.289  18.704   4.180
  870   2HB   ASN 125          2HB       ASN 125 -17.484  19.283   3.020
  871   2HD2  ASN 125          2HD2      ASN 125 -18.034  21.857   4.015
  872   1HD2  ASN 125          1HD2      ASN 125 -16.625  22.801   3.958
  873    H    ARG 126           H        ARG 126 -17.969  17.474   6.662
  874    HA   ARG 126           HA       ARG 126 -19.812  15.783   5.030
  875   1HB   ARG 126          1HB       ARG 126 -17.644  15.334   7.071
  876   2HB   ARG 126          2HB       ARG 126 -18.811  14.056   6.733
  877   1HG   ARG 126          1HG       ARG 126 -17.566  15.394   4.381
  878   2HG   ARG 126          2HG       ARG 126 -16.530  14.327   5.329
  879   1HD   ARG 126          1HD       ARG 126 -17.546  12.491   4.465
  880   2HD   ARG 126          2HD       ARG 126 -19.149  13.121   4.889
  881    HE   ARG 126           HE       ARG 126 -17.894  14.469   2.601
  882   1HH1  ARG 126          1HH1      ARG 126 -18.870  11.313   2.987
  883   2HH1  ARG 126          2HH1      ARG 126 -20.141  11.361   1.813
  884   1HH2  ARG 126          1HH2      ARG 126 -19.985  14.799   1.391
  885   2HH2  ARG 126          2HH2      ARG 126 -20.771  13.334   0.908
  886    H    VAL 127           H        VAL 127 -20.172  17.958   7.417
  887    HA   VAL 127           HA       VAL 127 -21.442  16.716   9.602
  888    HB   VAL 127           HB       VAL 127 -20.880  19.107   9.417
  889   1HG1  VAL 127          1HG1      VAL 127 -22.266  18.851   6.947
  890   2HG1  VAL 127          2HG1      VAL 127 -23.162  20.015   7.923
  891   3HG1  VAL 127          3HG1      VAL 127 -21.453  20.280   7.583
  892   1HG2  VAL 127          1HG2      VAL 127 -23.231  18.025  10.503
  893   2HG2  VAL 127          2HG2      VAL 127 -22.495  19.572  10.920
  894   3HG2  VAL 127          3HG2      VAL 127 -23.748  19.495   9.680
  895    H    ILE 128           H        ILE 128 -23.442  15.746   9.868
  896    HA   ILE 128           HA       ILE 128 -25.602  16.162   7.903
  897    HB   ILE 128           HB       ILE 128 -24.014  14.469   6.929
  898   1HG1  ILE 128          1HG1      ILE 128 -26.304  12.744   7.473
  899   2HG1  ILE 128          2HG1      ILE 128 -26.800  14.395   7.102
  900   1HG2  ILE 128          1HG2      ILE 128 -23.371  13.543   9.196
  901   2HG2  ILE 128          2HG2      ILE 128 -24.937  12.734   9.236
  902   3HG2  ILE 128          3HG2      ILE 128 -23.762  12.317   7.989
  903   1HD1  ILE 128          1HD1      ILE 128 -24.799  12.870   5.418
  904   2HD1  ILE 128          2HD1      ILE 128 -26.532  12.852   5.090
  905   3HD1  ILE 128          3HD1      ILE 128 -25.636  14.368   5.008

  No H/Q in entry =         905
  Start of MODEL    7
    1    H2   PRO   1           H2       PRO   1   3.486   7.462  31.204
    2    H3   PRO   1           H3       PRO   1   4.208   6.388  30.100
    3    HA   PRO   1           HA       PRO   1   2.560   6.818  28.690
    4   1HB   PRO   1          1HB       PRO   1   0.284   5.843  29.855
    5   2HB   PRO   1          2HB       PRO   1   1.572   4.798  29.226
    6   1HG   PRO   1          2HG       PRO   1   0.987   5.619  32.028
    7   2HG   PRO   1          1HG       PRO   1   1.527   4.055  31.402
    8   1HD   PRO   1          1HD       PRO   1   3.183   5.858  32.615
    9   2HD   PRO   1          2HD       PRO   1   3.731   4.676  31.409
   10    H    THR   2           H        THR   2   3.082   9.193  29.816
   11    HA   THR   2           HA       THR   2   0.531  10.309  30.898
   12    HB   THR   2           HB       THR   2   3.403  11.273  30.764
   13    HG1  THR   2           HG1      THR   2   1.657  10.473  32.846
   14   1HG2  THR   2          1HG2      THR   2   1.049  12.843  30.862
   15   2HG2  THR   2          2HG2      THR   2   1.715  12.837  32.494
   16   3HG2  THR   2          3HG2      THR   2   2.708  13.376  31.140
   17    H    VAL   3           H        VAL   3  -0.797  11.190  29.361
   18    HA   VAL   3           HA       VAL   3   0.457  12.380  26.912
   19    HB   VAL   3           HB       VAL   3  -2.283  11.204  27.482
   20   1HG1  VAL   3          1HG1      VAL   3  -1.131  12.402  24.944
   21   2HG1  VAL   3          2HG1      VAL   3  -2.645  11.501  25.030
   22   3HG1  VAL   3          3HG1      VAL   3  -2.485  13.039  25.879
   23   1HG2  VAL   3          1HG2      VAL   3   0.162   9.992  26.844
   24   2HG2  VAL   3          2HG2      VAL   3  -1.437   9.258  26.718
   25   3HG2  VAL   3          3HG2      VAL   3  -0.719  10.054  25.318
   26    H    GLU   4           H        GLU   4  -0.868  14.260  26.012
   27    HA   GLU   4           HA       GLU   4  -2.091  15.898  28.207
   28   1HB   GLU   4          1HB       GLU   4   0.381  16.322  27.365
   29   2HB   GLU   4          2HB       GLU   4  -0.432  17.094  26.003
   30   1HG   GLU   4          1HG       GLU   4  -1.442  18.724  27.375
   31   2HG   GLU   4          2HG       GLU   4  -1.194  17.774  28.840
   32    H    TYR   5           H        TYR   5  -4.244  15.922  27.532
   33    HA   TYR   5           HA       TYR   5  -4.873  16.147  24.646
   34   1HB   TYR   5          1HB       TYR   5  -7.144  15.679  25.423
   35   2HB   TYR   5          2HB       TYR   5  -6.022  14.558  26.192
   36    HD1  TYR   5           HD1      TYR   5  -7.972  17.683  26.696
   37    HD2  TYR   5           HD2      TYR   5  -5.684  14.560  28.557
   38    HE1  TYR   5           HE1      TYR   5  -8.719  18.466  28.927
   39    HE2  TYR   5           HE2      TYR   5  -6.430  15.344  30.788
   40    HH   TYR   5           HH       TYR   5  -8.481  18.235  31.129
   41    H    LEU   6           H        LEU   6  -5.815  17.963  23.719
   42    HA   LEU   6           HA       LEU   6  -6.319  20.333  25.487
   43   1HB   LEU   6          1HB       LEU   6  -4.150  19.948  23.805
   44   2HB   LEU   6          2HB       LEU   6  -5.261  20.871  22.793
   45    HG   LEU   6           HG       LEU   6  -4.136  21.639  25.495
   46   1HD1  LEU   6          1HD1      LEU   6  -3.362  22.168  22.851
   47   2HD1  LEU   6          2HD1      LEU   6  -4.189  23.635  23.379
   48   3HD1  LEU   6          3HD1      LEU   6  -2.812  23.019  24.294
   49   1HD2  LEU   6          1HD2      LEU   6  -6.505  22.749  23.979
   50   2HD2  LEU   6          2HD2      LEU   6  -6.436  22.238  25.666
   51   3HD2  LEU   6          3HD2      LEU   6  -5.609  23.711  25.156
   52    H    ASN   7           H        ASN   7  -8.354  21.165  25.095
   53    HA   ASN   7           HA       ASN   7 -10.129  20.051  23.135
   54   1HB   ASN   7          1HB       ASN   7 -10.636  21.237  25.334
   55   2HB   ASN   7          2HB       ASN   7 -10.313  22.752  24.493
   56   2HD2  ASN   7          2HD2      ASN   7 -12.470  23.569  24.389
   57   1HD2  ASN   7          1HD2      ASN   7 -13.727  22.774  23.569
   58    H    TYR   8           H        TYR   8  -9.949  20.394  20.945
   59    HA   TYR   8           HA       TYR   8  -8.364  22.399  19.701
   60   1HB   TYR   8          1HB       TYR   8  -9.109  20.381  18.567
   61   2HB   TYR   8          2HB       TYR   8 -10.799  20.838  18.782
   62    HD1  TYR   8           HD1      TYR   8 -11.711  22.848  17.590
   63    HD2  TYR   8           HD2      TYR   8  -7.783  21.301  16.796
   64    HE1  TYR   8           HE1      TYR   8 -11.635  24.129  15.468
   65    HE2  TYR   8           HE2      TYR   8  -7.707  22.583  14.674
   66    HH   TYR   8           HH       TYR   8  -9.499  25.078  13.970
   67    H    GLU   9           H        GLU   9 -11.694  22.443  20.860
   68    HA   GLU   9           HA       GLU   9 -12.575  24.819  19.509
   69   1HB   GLU   9          1HB       GLU   9 -13.740  22.916  20.979
   70   2HB   GLU   9          2HB       GLU   9 -13.506  24.102  22.263
   71   1HG   GLU   9          1HG       GLU   9 -14.526  25.782  20.521
   72   2HG   GLU   9          2HG       GLU   9 -15.158  24.322  19.760
   73    H    THR  10           H        THR  10 -10.950  24.283  22.639
   74    HA   THR  10           HA       THR  10 -11.071  26.918  23.676
   75    HB   THR  10           HB       THR  10  -9.095  24.636  23.844
   76    HG1  THR  10           HG1      THR  10 -11.229  25.664  25.311
   77   1HG2  THR  10          1HG2      THR  10  -7.876  26.790  24.160
   78   2HG2  THR  10          2HG2      THR  10  -9.010  27.209  25.445
   79   3HG2  THR  10          3HG2      THR  10  -7.937  25.822  25.632
   80    H    LEU  11           H        LEU  11  -8.964  25.479  21.233
   81    HA   LEU  11           HA       LEU  11  -7.004  27.542  21.031
   82   1HB   LEU  11          1HB       LEU  11  -7.493  25.116  19.898
   83   2HB   LEU  11          2HB       LEU  11  -7.957  26.177  18.567
   84    HG   LEU  11           HG       LEU  11  -5.318  26.331  20.056
   85   1HD1  LEU  11          1HD1      LEU  11  -6.239  24.759  17.724
   86   2HD1  LEU  11          2HD1      LEU  11  -4.726  25.633  17.484
   87   3HD1  LEU  11          3HD1      LEU  11  -4.874  24.475  18.806
   88   1HD2  LEU  11          1HD2      LEU  11  -6.699  28.168  18.372
   89   2HD2  LEU  11          2HD2      LEU  11  -5.061  28.306  19.011
   90   3HD2  LEU  11          3HD2      LEU  11  -5.336  27.531  17.451
   91    H    ASP  12           H        ASP  12 -10.156  27.110  19.418
   92    HA   ASP  12           HA       ASP  12  -9.945  29.623  17.930
   93   1HB   ASP  12          1HB       ASP  12 -12.261  27.738  18.493
   94   2HB   ASP  12          2HB       ASP  12 -12.242  28.993  17.254
   95    H    ASP  13           H        ASP  13 -11.615  28.464  20.852
   96    HA   ASP  13           HA       ASP  13 -13.255  30.711  21.383
   97   1HB   ASP  13          1HB       ASP  13 -12.043  28.434  22.820
   98   2HB   ASP  13          2HB       ASP  13 -12.455  29.803  23.852
   99    H    GLN  14           H        GLN  14  -9.981  30.037  22.688
  100    HA   GLN  14           HA       GLN  14  -9.663  32.661  23.855
  101   1HB   GLN  14          1HB       GLN  14  -7.607  30.598  22.998
  102   2HB   GLN  14          2HB       GLN  14  -7.366  31.873  24.192
  103   1HG   GLN  14          1HG       GLN  14  -9.735  30.360  24.846
  104   2HG   GLN  14          2HG       GLN  14  -8.366  29.266  24.646
  105   2HE2  GLN  14          2HE2      GLN  14  -7.487  28.900  26.692
  106   1HE2  GLN  14          1HE2      GLN  14  -7.203  30.101  27.859
  107    H    GLY  15           H        GLY  15  -8.938  31.265  20.699
  108   1HA   GLY  15          2HA       GLY  15  -8.417  33.968  19.644
  109   2HA   GLY  15          1HA       GLY  15  -8.609  32.500  18.685
  110    H    TRP  16           H        TRP  16  -6.720  30.821  19.796
  111    HA   TRP  16           HA       TRP  16  -4.145  32.337  19.513
  112   1HB   TRP  16          1HB       TRP  16  -4.943  29.806  20.976
  113   2HB   TRP  16          2HB       TRP  16  -3.264  30.305  20.780
  114    HD1  TRP  16           HD1      TRP  16  -4.390  33.506  21.019
  115    HE1  TRP  16           HE1      TRP  16  -4.647  34.402  23.424
  116    HE3  TRP  16           HE3      TRP  16  -4.494  29.098  23.597
  117    HZ2  TRP  16           HZ2      TRP  16  -4.866  33.383  26.088
  118    HZ3  TRP  16           HZ3      TRP  16  -4.727  29.090  26.064
  119    HH2  TRP  16           HH2      TRP  16  -4.913  31.225  27.312
  120    H    ASP  17           H        ASP  17  -2.349  30.725  18.670
  121    HA   ASP  17           HA       ASP  17  -3.295  29.670  16.083
  122   1HB   ASP  17          1HB       ASP  17  -0.850  30.643  17.330
  123   2HB   ASP  17          2HB       ASP  17  -0.560  29.144  16.447
  124    H    MET  18           H        MET  18  -1.490  27.549  15.722
  125    HA   MET  18           HA       MET  18  -2.878  25.372  17.031
  126   1HB   MET  18          1HB       MET  18  -0.899  25.849  14.948
  127   2HB   MET  18          2HB       MET  18  -0.485  24.431  15.911
  128   1HG   MET  18          1HG       MET  18  -2.774  23.544  15.567
  129   2HG   MET  18          2HG       MET  18  -3.158  24.949  14.572
  130   1HE   MET  18          1HE       MET  18  -3.652  22.150  13.624
  131   2HE   MET  18          2HE       MET  18  -2.388  21.297  12.726
  132   3HE   MET  18          3HE       MET  18  -2.309  21.398  14.483
  133    H    ASP  19           H        ASP  19   0.405  26.753  17.385
  134    HA   ASP  19           HA       ASP  19   0.485  25.856  20.192
  135   1HB   ASP  19          2HB       ASP  19   2.289  24.318  19.892
  136   2HB   ASP  19          1HB       ASP  19   1.133  23.929  18.617
  137    H    ASP  20           H        ASP  20   0.738  28.376  18.501
  138    HA   ASP  20           HA       ASP  20   3.473  29.279  18.561
  139   1HB   ASP  20          1HB       ASP  20   0.730  30.481  18.324
  140   2HB   ASP  20          2HB       ASP  20   2.117  31.551  18.533
  141    H    ASP  21           H        ASP  21   0.772  30.485  20.584
  142    HA   ASP  21           HA       ASP  21   2.626  31.441  22.631
  143   1HB   ASP  21          1HB       ASP  21   0.422  32.468  21.869
  144   2HB   ASP  21          2HB       ASP  21  -0.389  31.163  22.736
  145    H    ASP  22           H        ASP  22   3.075  28.708  22.403
  146    HA   ASP  22           HA       ASP  22   2.983  26.653  23.594
  147   1HB   ASP  22          1HB       ASP  22   3.112  28.979  25.472
  148   2HB   ASP  22          2HB       ASP  22   2.930  27.370  26.167
  149    H    LEU  23           H        LEU  23   0.515  26.904  22.556
  150    HA   LEU  23           HA       LEU  23  -1.778  27.342  24.025
  151   1HB   LEU  23          1HB       LEU  23  -0.881  25.563  21.871
  152   2HB   LEU  23          2HB       LEU  23  -2.279  24.937  22.744
  153    HG   LEU  23           HG       LEU  23  -2.817  26.457  20.771
  154   1HD1  LEU  23          1HD1      LEU  23  -3.737  27.313  23.534
  155   2HD1  LEU  23          2HD1      LEU  23  -4.568  27.682  22.023
  156   3HD1  LEU  23          3HD1      LEU  23  -4.438  26.011  22.571
  157   1HD2  LEU  23          1HD2      LEU  23  -0.919  28.094  22.078
  158   2HD2  LEU  23          2HD2      LEU  23  -1.881  28.502  20.658
  159   3HD2  LEU  23          3HD2      LEU  23  -2.474  28.902  22.270
  160    H    PHE  24           H        PHE  24  -0.241  24.103  23.922
  161    HA   PHE  24           HA       PHE  24  -1.715  22.889  25.978
  162   1HB   PHE  24          1HB       PHE  24   1.066  22.592  24.865
  163   2HB   PHE  24          2HB       PHE  24   0.540  21.567  26.200
  164    HD1  PHE  24           HD1      PHE  24  -0.073  22.493  22.674
  165    HD2  PHE  24           HD2      PHE  24  -1.151  19.863  25.894
  166    HE1  PHE  24           HE1      PHE  24  -1.290  21.038  21.078
  167    HE2  PHE  24           HE2      PHE  24  -2.368  18.408  24.298
  168    HZ   PHE  24           HZ       PHE  24  -2.437  18.995  21.890
  169    H    GLU  25           H        GLU  25   1.018  25.094  26.193
  170    HA   GLU  25           HA       GLU  25   1.326  24.668  29.102
  171   1HB   GLU  25          1HB       GLU  25   2.849  25.649  26.890
  172   2HB   GLU  25          2HB       GLU  25   2.753  26.935  28.094
  173   1HG   GLU  25          1HG       GLU  25   4.156  25.840  29.482
  174   2HG   GLU  25          2HG       GLU  25   3.220  24.351  29.346
  175    H    LYS  26           H        LYS  26   0.632  27.511  27.020
  176    HA   LYS  26           HA       LYS  26  -0.127  29.306  29.066
  177   1HB   LYS  26          1HB       LYS  26   0.250  29.547  26.489
  178   2HB   LYS  26          2HB       LYS  26  -1.470  29.181  26.370
  179   1HG   LYS  26          2HG       LYS  26  -1.363  31.553  26.490
  180   2HG   LYS  26          1HG       LYS  26  -1.811  31.042  28.117
  181   1HD   LYS  26          1HD       LYS  26   0.694  31.064  28.654
  182   2HD   LYS  26          2HD       LYS  26   0.909  31.918  27.126
  183   1HE   LYS  26          1HE       LYS  26  -0.068  33.851  27.924
  184   2HE   LYS  26          2HE       LYS  26  -1.196  32.968  28.970
  185   1HZ   LYS  26          1HZ       LYS  26   0.726  32.316  30.346
  186   2HZ   LYS  26          2HZ       LYS  26   1.735  33.288  29.387
  187   3HZ   LYS  26          3HZ       LYS  26   0.505  33.999  30.318
  188    H    ALA  27           H        ALA  27  -1.859  26.614  27.653
  189    HA   ALA  27           HA       ALA  27  -4.538  27.323  28.353
  190   1HB   ALA  27          1HB       ALA  27  -4.365  25.497  26.934
  191   2HB   ALA  27          3HB       ALA  27  -4.575  24.651  28.467
  192   3HB   ALA  27          2HB       ALA  27  -2.963  24.844  27.780
  193    H    ALA  28           H        ALA  28  -1.948  25.732  30.204
  194    HA   ALA  28           HA       ALA  28  -3.606  25.136  32.514
  195   1HB   ALA  28          1HB       ALA  28  -1.040  24.556  31.524
  196   2HB   ALA  28          3HB       ALA  28  -0.757  25.446  33.021
  197   3HB   ALA  28          2HB       ALA  28  -1.732  23.977  33.040
  198    H    ASP  29           H        ASP  29  -1.978  27.964  31.344
  199    HA   ASP  29           HA       ASP  29  -1.770  29.280  33.961
  200   1HB   ASP  29          1HB       ASP  29  -0.229  29.592  31.982
  201   2HB   ASP  29          2HB       ASP  29  -1.556  30.403  31.151
  202    H    ALA  30           H        ALA  30  -4.084  29.074  31.338
  203    HA   ALA  30           HA       ALA  30  -5.624  31.417  32.253
  204   1HB   ALA  30          1HB       ALA  30  -6.038  29.279  30.140
  205   2HB   ALA  30          3HB       ALA  30  -7.104  30.667  30.360
  206   3HB   ALA  30          2HB       ALA  30  -5.424  30.912  29.879
  207    H    GLY  31           H        GLY  31  -5.629  27.937  32.661
  208   1HA   GLY  31          2HA       GLY  31  -7.801  28.196  34.642
  209   2HA   GLY  31          1HA       GLY  31  -6.798  26.768  34.388
  210    H    LEU  32           H        LEU  32  -7.186  26.636  31.520
  211    HA   LEU  32           HA       LEU  32  -9.859  26.676  30.629
  212   1HB   LEU  32          1HB       LEU  32  -7.300  25.500  29.915
  213   2HB   LEU  32          2HB       LEU  32  -8.625  24.408  29.514
  214    HG   LEU  32           HG       LEU  32  -8.140  25.962  27.647
  215   1HD1  LEU  32          1HD1      LEU  32 -10.571  25.241  28.576
  216   2HD1  LEU  32          2HD1      LEU  32 -10.728  26.994  28.691
  217   3HD1  LEU  32          3HD1      LEU  32 -10.361  26.240  27.139
  218   1HD2  LEU  32          1HD2      LEU  32  -8.672  28.005  29.805
  219   2HD2  LEU  32          2HD2      LEU  32  -7.288  27.898  28.718
  220   3HD2  LEU  32          3HD2      LEU  32  -8.860  28.402  28.097
  221    H    ASP  33           H        ASP  33 -11.546  25.128  30.700
  222    HA   ASP  33           HA       ASP  33 -11.987  23.654  33.051
  223   1HB   ASP  33          1HB       ASP  33 -13.451  24.367  30.953
  224   2HB   ASP  33          2HB       ASP  33 -13.088  22.724  30.423
  225    H    GLY  34           H        GLY  34 -11.442  21.580  33.714
  226   1HA   GLY  34          2HA       GLY  34 -10.375  19.490  33.704
  227   2HA   GLY  34          1HA       GLY  34  -9.247  20.206  32.554
  228    H    GLU  35           H        GLU  35 -12.623  20.186  31.760
  229    HA   GLU  35           HA       GLU  35 -12.656  17.641  30.354
  230   1HB   GLU  35          1HB       GLU  35 -14.654  18.742  31.283
  231   2HB   GLU  35          2HB       GLU  35 -14.408  20.119  30.208
  232   1HG   GLU  35          1HG       GLU  35 -15.020  18.913  28.308
  233   2HG   GLU  35          2HG       GLU  35 -14.615  17.360  29.041
  234    H    ASP  36           H        ASP  36 -11.030  20.469  29.686
  235    HA   ASP  36           HA       ASP  36 -11.215  20.025  26.722
  236   1HB   ASP  36          1HB       ASP  36 -10.890  22.478  28.455
  237   2HB   ASP  36          2HB       ASP  36 -10.440  22.503  26.751
  238    H    TYR  37           H        TYR  37  -8.998  21.278  29.256
  239    HA   TYR  37           HA       TYR  37  -6.734  20.058  27.704
  240   1HB   TYR  37          1HB       TYR  37  -6.603  22.446  27.582
  241   2HB   TYR  37          2HB       TYR  37  -6.995  22.622  29.293
  242    HD1  TYR  37           HD1      TYR  37  -4.501  20.751  27.189
  243    HD2  TYR  37           HD2      TYR  37  -5.212  23.125  30.697
  244    HE1  TYR  37           HE1      TYR  37  -2.089  20.637  27.755
  245    HE2  TYR  37           HE2      TYR  37  -2.800  23.012  31.263
  246    HH   TYR  37           HH       TYR  37  -0.766  20.878  30.212
  247    H    GLY  38           H        GLY  38  -5.114  19.006  28.951
  248   1HA   GLY  38          2HA       GLY  38  -6.018  17.922  31.501
  249   2HA   GLY  38          1HA       GLY  38  -4.655  19.030  31.675
  250    H    THR  39           H        THR  39  -3.945  16.650  32.468
  251    HA   THR  39           HA       THR  39  -2.295  15.571  30.234
  252    HB   THR  39           HB       THR  39  -2.164  15.105  33.230
  253    HG1  THR  39           HG1      THR  39  -0.338  16.639  32.895
  254   1HG2  THR  39          1HG2      THR  39  -0.927  13.749  31.167
  255   2HG2  THR  39          2HG2      THR  39   0.277  14.958  31.613
  256   3HG2  THR  39          3HG2      THR  39  -0.337  13.834  32.828
  257    H    MET  40           H        MET  40  -2.954  13.684  29.294
  258    HA   MET  40           HA       MET  40  -5.040  12.044  30.607
  259   1HB   MET  40          1HB       MET  40  -4.252  12.776  27.972
  260   2HB   MET  40          2HB       MET  40  -4.091  11.025  28.095
  261   1HG   MET  40          1HG       MET  40  -6.434  11.117  29.224
  262   2HG   MET  40          2HG       MET  40  -6.544  12.724  28.507
  263   1HE   MET  40          1HE       MET  40  -7.006   9.255  28.392
  264   2HE   MET  40          2HE       MET  40  -7.213   8.716  26.727
  265   3HE   MET  40          3HE       MET  40  -5.591   8.877  27.414
  266    H    GLU  41           H        GLU  41  -3.707  11.083  32.307
  267    HA   GLU  41           HA       GLU  41  -1.395   9.427  31.488
  268   1HB   GLU  41          1HB       GLU  41  -1.587  10.890  33.581
  269   2HB   GLU  41          2HB       GLU  41  -2.715   9.684  34.201
  270   1HG   GLU  41          1HG       GLU  41  -0.159   8.638  33.108
  271   2HG   GLU  41          2HG       GLU  41  -0.041   9.550  34.614
  272    H    VAL  42           H        VAL  42  -1.949   7.467  30.574
  273    HA   VAL  42           HA       VAL  42  -4.133   5.897  31.909
  274    HB   VAL  42           HB       VAL  42  -4.833   5.185  29.736
  275   1HG1  VAL  42          1HG1      VAL  42  -5.452   7.520  30.317
  276   2HG1  VAL  42          2HG1      VAL  42  -3.996   8.093  29.503
  277   3HG1  VAL  42          3HG1      VAL  42  -5.272   7.303  28.576
  278   1HG2  VAL  42          1HG2      VAL  42  -2.109   6.160  28.938
  279   2HG2  VAL  42          2HG2      VAL  42  -2.911   4.640  28.539
  280   3HG2  VAL  42          3HG2      VAL  42  -3.396   6.133  27.732
  281    H    ALA  43           H        ALA  43  -3.861   3.474  31.424
  282    HA   ALA  43           HA       ALA  43  -1.149   2.652  32.136
  283   1HB   ALA  43          1HB       ALA  43  -3.835   1.677  32.244
  284   2HB   ALA  43          3HB       ALA  43  -2.403   0.993  33.014
  285   3HB   ALA  43          2HB       ALA  43  -2.862   0.479  31.391
  286    H    GLU  44           H        GLU  44   0.273   1.424  30.809
  287    HA   GLU  44           HA       GLU  44   0.272   1.983  27.997
  288   1HB   GLU  44          1HB       GLU  44   1.786   0.325  29.958
  289   2HB   GLU  44          2HB       GLU  44   1.991  -0.077  28.254
  290   1HG   GLU  44          1HG       GLU  44   2.982   1.953  27.753
  291   2HG   GLU  44          2HG       GLU  44   2.133   2.805  29.043
  292    H    GLY  45           H        GLY  45  -1.114   1.079  26.534
  293   1HA   GLY  45          2HA       GLY  45  -1.729  -1.827  26.809
  294   2HA   GLY  45          1HA       GLY  45  -1.754  -0.937  25.287
  295    H    GLU  46           H        GLU  46  -3.097   1.171  27.377
  296    HA   GLU  46           HA       GLU  46  -5.837  -0.018  27.246
  297   1HB   GLU  46          1HB       GLU  46  -4.659   0.885  29.377
  298   2HB   GLU  46          2HB       GLU  46  -4.981   2.483  28.704
  299   1HG   GLU  46          1HG       GLU  46  -6.959   2.244  29.836
  300   2HG   GLU  46          2HG       GLU  46  -7.422   1.349  28.389
  301    H    TYR  47           H        TYR  47  -7.041   0.660  25.521
  302    HA   TYR  47           HA       TYR  47  -6.453   2.572  23.606
  303   1HB   TYR  47          1HB       TYR  47  -9.161   1.886  24.797
  304   2HB   TYR  47          2HB       TYR  47  -8.895   2.577  23.197
  305    HD1  TYR  47           HD1      TYR  47  -6.391   1.071  22.454
  306    HD2  TYR  47           HD2      TYR  47 -10.071  -0.248  24.233
  307    HE1  TYR  47           HE1      TYR  47  -6.020  -1.202  21.534
  308    HE2  TYR  47           HE2      TYR  47  -9.701  -2.522  23.313
  309    HH   TYR  47           HH       TYR  47  -8.460  -3.586  21.487
  310    H    ILE  48           H        ILE  48  -6.002   4.721  23.841
  311    HA   ILE  48           HA       ILE  48  -6.232   6.345  26.063
  312    HB   ILE  48           HB       ILE  48  -6.588   6.970  23.118
  313   1HG1  ILE  48          1HG1      ILE  48  -4.188   7.385  24.913
  314   2HG1  ILE  48          2HG1      ILE  48  -4.441   5.901  23.994
  315   1HG2  ILE  48          1HG2      ILE  48  -7.456   8.731  24.821
  316   2HG2  ILE  48          2HG2      ILE  48  -5.754   8.960  25.225
  317   3HG2  ILE  48          3HG2      ILE  48  -6.320   9.267  23.584
  318   1HD1  ILE  48          1HD1      ILE  48  -4.844   8.214  22.300
  319   2HD1  ILE  48          2HD1      ILE  48  -3.260   8.288  23.069
  320   3HD1  ILE  48          3HD1      ILE  48  -3.706   6.882  22.103
  321    H    LEU  49           H        LEU  49  -8.661   6.424  23.415
  322    HA   LEU  49           HA       LEU  49 -10.621   8.009  24.529
  323   1HB   LEU  49          1HB       LEU  49 -10.948   7.114  22.364
  324   2HB   LEU  49          2HB       LEU  49 -10.719   5.457  22.920
  325    HG   LEU  49           HG       LEU  49 -12.839   5.517  24.117
  326   1HD1  LEU  49          1HD1      LEU  49 -12.621   7.984  24.695
  327   2HD1  LEU  49          2HD1      LEU  49 -13.202   8.334  23.068
  328   3HD1  LEU  49          3HD1      LEU  49 -14.235   7.471  24.206
  329   1HD2  LEU  49          1HD2      LEU  49 -12.696   6.229  21.237
  330   2HD2  LEU  49          2HD2      LEU  49 -13.434   4.829  22.015
  331   3HD2  LEU  49          3HD2      LEU  49 -14.282   6.376  21.994
  332    H    GLU  50           H        GLU  50 -10.257   4.495  25.161
  333    HA   GLU  50           HA       GLU  50 -12.410   4.321  27.055
  334   1HB   GLU  50          1HB       GLU  50 -11.459   2.394  25.903
  335   2HB   GLU  50          2HB       GLU  50  -9.879   2.703  26.623
  336   1HG   GLU  50          1HG       GLU  50 -12.148   2.422  28.521
  337   2HG   GLU  50          2HG       GLU  50 -11.656   0.955  27.677
  338    H    ALA  51           H        ALA  51  -8.891   4.794  27.469
  339    HA   ALA  51           HA       ALA  51  -8.907   4.842  30.336
  340   1HB   ALA  51          1HB       ALA  51  -7.023   6.354  28.524
  341   2HB   ALA  51          3HB       ALA  51  -6.658   5.564  30.057
  342   3HB   ALA  51          2HB       ALA  51  -6.990   4.594  28.623
  343    H    ALA  52           H        ALA  52  -9.229   7.399  27.900
  344    HA   ALA  52           HA       ALA  52  -9.363   9.536  29.890
  345   1HB   ALA  52          1HB       ALA  52  -9.092   9.188  27.047
  346   2HB   ALA  52          3HB       ALA  52 -10.391  10.339  27.366
  347   3HB   ALA  52          2HB       ALA  52  -8.774  10.633  28.009
  348    H    GLU  53           H        GLU  53 -11.673   7.704  27.929
  349    HA   GLU  53           HA       GLU  53 -14.016   9.224  28.487
  350   1HB   GLU  53          1HB       GLU  53 -13.723   7.397  26.793
  351   2HB   GLU  53          2HB       GLU  53 -13.717   6.226  28.112
  352   1HG   GLU  53          1HG       GLU  53 -15.966   6.450  27.070
  353   2HG   GLU  53          2HG       GLU  53 -15.976   6.921  28.768
  354    H    ALA  54           H        ALA  54 -12.285   6.814  30.377
  355    HA   ALA  54           HA       ALA  54 -14.398   6.480  32.372
  356   1HB   ALA  54          1HB       ALA  54 -11.554   5.637  31.933
  357   2HB   ALA  54          3HB       ALA  54 -12.984   4.639  32.195
  358   3HB   ALA  54          2HB       ALA  54 -12.233   5.478  33.553
  359    H    GLN  55           H        GLN  55 -12.177   8.944  31.702
  360    HA   GLN  55           HA       GLN  55 -11.945   9.781  34.558
  361   1HB   GLN  55          1HB       GLN  55 -10.515  10.313  31.976
  362   2HB   GLN  55          2HB       GLN  55 -10.421  11.525  33.253
  363   1HG   GLN  55          1HG       GLN  55  -9.973   8.685  34.041
  364   2HG   GLN  55          2HG       GLN  55  -8.697   9.471  33.113
  365   2HE2  GLN  55          2HE2      GLN  55  -9.396   8.818  36.219
  366   1HE2  GLN  55          1HE2      GLN  55  -8.798  10.211  36.984
  367    H    GLY  56           H        GLY  56 -13.537  10.572  31.556
  368   1HA   GLY  56          2HA       GLY  56 -14.535  13.114  32.775
  369   2HA   GLY  56          1HA       GLY  56 -15.636  11.975  31.999
  370    H    TYR  57           H        TYR  57 -12.927  11.711  30.208
  371    HA   TYR  57           HA       TYR  57 -13.153  14.168  28.608
  372   1HB   TYR  57          1HB       TYR  57 -11.604  11.576  28.305
  373   2HB   TYR  57          2HB       TYR  57 -11.381  12.996  27.282
  374    HD1  TYR  57           HD1      TYR  57 -11.717  15.163  29.317
  375    HD2  TYR  57           HD2      TYR  57  -9.556  11.457  29.491
  376    HE1  TYR  57           HE1      TYR  57 -10.184  16.136  31.008
  377    HE2  TYR  57           HE2      TYR  57  -8.023  12.426  31.176
  378    HH   TYR  57           HH       TYR  57  -8.640  14.981  32.964
  379    H    ASP  58           H        ASP  58 -14.412  14.370  26.790
  380    HA   ASP  58           HA       ASP  58 -15.761  11.901  25.752
  381   1HB   ASP  58          1HB       ASP  58 -16.545  14.825  25.890
  382   2HB   ASP  58          2HB       ASP  58 -17.459  13.637  24.962
  383    H    TRP  59           H        TRP  59 -15.824  11.626  23.459
  384    HA   TRP  59           HA       TRP  59 -14.122  13.522  21.877
  385   1HB   TRP  59          1HB       TRP  59 -14.174  10.492  21.719
  386   2HB   TRP  59          2HB       TRP  59 -13.075  11.570  20.857
  387    HD1  TRP  59           HD1      TRP  59 -14.005  10.632  24.488
  388    HE1  TRP  59           HE1      TRP  59 -11.903  10.910  25.955
  389    HE3  TRP  59           HE3      TRP  59 -10.749  12.495  21.023
  390    HZ2  TRP  59           HZ2      TRP  59  -9.201  11.803  25.692
  391    HZ3  TRP  59           HZ3      TRP  59  -8.419  13.049  21.659
  392    HH2  TRP  59           HH2      TRP  59  -7.641  12.704  23.988
  393    HA   PRO  60           HA       PRO  60 -17.298  13.427  18.861
  394   1HB   PRO  60          1HB       PRO  60 -15.872  13.434  16.521
  395   2HB   PRO  60          2HB       PRO  60 -16.017  14.855  17.573
  396   1HG   PRO  60          1HG       PRO  60 -13.782  12.894  17.322
  397   2HG   PRO  60          2HG       PRO  60 -13.720  14.651  17.522
  398   1HD   PRO  60          1HD       PRO  60 -13.301  12.899  19.564
  399   2HD   PRO  60          2HD       PRO  60 -13.973  14.527  19.802
  400    H    PHE  61           H        PHE  61 -18.316  11.402  19.034
  401    HA   PHE  61           HA       PHE  61 -17.122   8.902  18.229
  402   1HB   PHE  61          1HB       PHE  61 -20.011   9.769  18.574
  403   2HB   PHE  61          2HB       PHE  61 -19.447   8.098  18.536
  404    HD1  PHE  61           HD1      PHE  61 -17.049   8.052  20.111
  405    HD2  PHE  61           HD2      PHE  61 -20.634  10.329  20.753
  406    HE1  PHE  61           HE1      PHE  61 -16.541   8.169  22.535
  407    HE2  PHE  61           HE2      PHE  61 -20.127  10.446  23.178
  408    HZ   PHE  61           HZ       PHE  61 -18.080   9.365  24.070
  409    H    SER  62           H        SER  62 -16.358   9.857  16.031
  410    HA   SER  62           HA       SER  62 -18.445  10.138  13.970
  411   1HB   SER  62          1HB       SER  62 -16.179  10.226  12.596
  412   2HB   SER  62          2HB       SER  62 -16.638  11.575  13.637
  413    HG   SER  62           HG       SER  62 -14.703  11.174  14.405
  414    H    CYS  63           H        CYS  63 -17.255   7.510  15.511
  415    HA   CYS  63           HA       CYS  63 -16.808   5.820  13.112
  416   1HB   CYS  63          1HB       CYS  63 -15.744   5.932  15.648
  417   2HB   CYS  63          2HB       CYS  63 -16.898   4.608  15.799
  418    H    ARG  64           H        ARG  64 -18.783   5.337  12.150
  419    HA   ARG  64           HA       ARG  64 -20.608   3.557  13.551
  420   1HB   ARG  64          1HB       ARG  64 -22.543   5.245  13.270
  421   2HB   ARG  64          2HB       ARG  64 -21.404   5.550  14.583
  422   1HG   ARG  64          1HG       ARG  64 -20.290   7.258  13.365
  423   2HG   ARG  64          2HG       ARG  64 -21.024   6.760  11.841
  424   1HD   ARG  64          1HD       ARG  64 -23.198   7.306  13.548
  425   2HD   ARG  64          2HD       ARG  64 -22.044   8.626  13.817
  426    HE   ARG  64           HE       ARG  64 -22.019   8.961  11.338
  427   1HH1  ARG  64          1HH1      ARG  64 -23.411   6.175  10.996
  428   2HH1  ARG  64          2HH1      ARG  64 -24.963   6.693  10.431
  429   1HH2  ARG  64          1HH2      ARG  64 -24.489  10.002  11.355
  430   2HH2  ARG  64          2HH2      ARG  64 -25.574   8.861  10.632
  431    H    ALA  65           H        ALA  65 -19.816   2.488  11.482
  432    HA   ALA  65           HA       ALA  65 -21.831   2.759   9.385
  433   1HB   ALA  65          1HB       ALA  65 -19.396   3.126   7.975
  434   2HB   ALA  65          3HB       ALA  65 -20.713   4.286   8.154
  435   3HB   ALA  65          2HB       ALA  65 -19.381   4.280   9.309
  436    H    GLY  66           H        GLY  66 -18.614   1.494  10.269
  437   1HA   GLY  66          2HA       GLY  66 -19.302  -1.018   8.797
  438   2HA   GLY  66          1HA       GLY  66 -18.615  -1.063  10.421
  439    H    ALA  67           H        ALA  67 -17.432   1.500   8.511
  440    HA   ALA  67           HA       ALA  67 -14.821   0.094   8.231
  441   1HB   ALA  67          1HB       ALA  67 -15.069  -0.092   5.994
  442   2HB   ALA  67          3HB       ALA  67 -16.717   0.513   6.154
  443   3HB   ALA  67          2HB       ALA  67 -15.389   1.637   5.865
  444    H    CYS  68           H        CYS  68 -13.583   1.487   9.466
  445    HA   CYS  68           HA       CYS  68 -13.561   4.365   8.672
  446   1HB   CYS  68          1HB       CYS  68 -15.041   4.320  10.541
  447   2HB   CYS  68          2HB       CYS  68 -14.038   3.151  11.402
  448    H    ALA  69           H        ALA  69 -11.513   5.355   9.004
  449    HA   ALA  69           HA       ALA  69  -9.344   3.689  10.193
  450   1HB   ALA  69          1HB       ALA  69  -8.214   4.766   7.898
  451   2HB   ALA  69          3HB       ALA  69  -8.781   3.104   8.069
  452   3HB   ALA  69          2HB       ALA  69  -9.840   4.330   7.372
  453    H    ASN  70           H        ASN  70 -10.906   6.499  10.358
  454    HA   ASN  70           HA       ASN  70  -8.467   7.991  11.201
  455   1HB   ASN  70          1HB       ASN  70  -9.321   8.398   8.747
  456   2HB   ASN  70          2HB       ASN  70 -10.586   9.337   9.540
  457   2HD2  ASN  70          2HD2      ASN  70  -7.093   8.980  10.368
  458   1HD2  ASN  70          1HD2      ASN  70  -6.754  10.641  10.291
  459    H    CYS  71           H        CYS  71  -8.875   9.310  12.989
  460    HA   CYS  71           HA       CYS  71 -11.708   9.381  13.977
  461   1HB   CYS  71          2HB       CYS  71  -9.146   9.558  15.587
  462   2HB   CYS  71          1HB       CYS  71 -10.768   9.214  16.185
  463    H    ALA  72           H        ALA  72 -10.410  11.242  16.131
  464    HA   ALA  72           HA       ALA  72 -10.064  13.703  14.483
  465   1HB   ALA  72          1HB       ALA  72 -11.910  13.794  16.832
  466   2HB   ALA  72          3HB       ALA  72 -12.503  13.021  15.362
  467   3HB   ALA  72          2HB       ALA  72 -11.975  14.703  15.322
  468    H    SER  73           H        SER  73  -7.893  12.712  15.694
  469    HA   SER  73           HA       SER  73  -7.630  14.289  18.238
  470   1HB   SER  73          1HB       SER  73  -6.063  11.804  17.534
  471   2HB   SER  73          2HB       SER  73  -6.339  12.508  19.127
  472    HG   SER  73           HG       SER  73  -8.693  12.075  18.406
  473    H    ILE  74           H        ILE  74  -6.370  16.054  17.722
  474    HA   ILE  74           HA       ILE  74  -4.373  15.898  15.555
  475    HB   ILE  74           HB       ILE  74  -5.129  18.150  17.442
  476   1HG1  ILE  74          2HG1      ILE  74  -7.159  17.498  16.378
  477   2HG1  ILE  74          1HG1      ILE  74  -6.557  18.859  15.433
  478   1HG2  ILE  74          1HG2      ILE  74  -2.988  18.211  15.960
  479   2HG2  ILE  74          2HG2      ILE  74  -4.117  18.413  14.620
  480   3HG2  ILE  74          3HG2      ILE  74  -4.077  19.598  15.924
  481   1HD1  ILE  74          1HD1      ILE  74  -5.330  16.882  14.101
  482   2HD1  ILE  74          2HD1      ILE  74  -6.705  15.965  14.715
  483   3HD1  ILE  74          3HD1      ILE  74  -6.973  17.387  13.707
  484    H    VAL  75           H        VAL  75  -3.030  14.286  16.817
  485    HA   VAL  75           HA       VAL  75  -1.830  14.721  19.317
  486    HB   VAL  75           HB       VAL  75  -1.696  12.736  17.720
  487   1HG1  VAL  75          1HG1      VAL  75  -0.872  14.307  15.831
  488   2HG1  VAL  75          2HG1      VAL  75   0.711  14.166  16.595
  489   3HG1  VAL  75          3HG1      VAL  75  -0.100  12.728  15.977
  490   1HG2  VAL  75          1HG2      VAL  75  -0.324  12.985  19.816
  491   2HG2  VAL  75          2HG2      VAL  75   0.461  12.018  18.566
  492   3HG2  VAL  75          3HG2      VAL  75   0.959  13.689  18.831
  493    H    LYS  76           H        LYS  76  -0.692  16.491  20.009
  494    HA   LYS  76           HA       LYS  76   0.572  18.320  18.082
  495   1HB   LYS  76          1HB       LYS  76  -0.762  18.842  20.242
  496   2HB   LYS  76          2HB       LYS  76   0.714  18.398  21.099
  497   1HG   LYS  76          1HG       LYS  76   0.577  20.847  20.663
  498   2HG   LYS  76          2HG       LYS  76   1.972  20.108  19.879
  499   1HD   LYS  76          1HD       LYS  76   0.618  21.717  18.434
  500   2HD   LYS  76          2HD       LYS  76   0.887  20.117  17.743
  501   1HE   LYS  76          1HE       LYS  76  -1.352  19.399  18.460
  502   2HE   LYS  76          2HE       LYS  76  -1.623  20.967  19.240
  503   1HZ   LYS  76          1HZ       LYS  76  -0.717  21.574  16.721
  504   2HZ   LYS  76          2HZ       LYS  76  -1.781  20.275  16.468
  505   3HZ   LYS  76          3HZ       LYS  76  -2.325  21.677  17.256
  506    H    GLU  77           H        GLU  77   1.510  15.594  19.955
  507    HA   GLU  77           HA       GLU  77   4.163  15.479  18.946
  508   1HB   GLU  77          1HB       GLU  77   3.737  17.470  20.921
  509   2HB   GLU  77          2HB       GLU  77   4.661  16.186  21.699
  510   1HG   GLU  77          1HG       GLU  77   5.937  16.358  19.288
  511   2HG   GLU  77          2HG       GLU  77   5.458  18.037  19.537
  512    H    GLY  78           H        GLY  78   5.350  13.668  19.880
  513   1HA   GLY  78          2HA       GLY  78   3.798  12.071  21.872
  514   2HA   GLY  78          1HA       GLY  78   5.539  11.932  21.623
  515    H    GLU  79           H        GLU  79   3.451   9.827  21.438
  516    HA   GLU  79           HA       GLU  79   3.076   9.183  18.623
  517   1HB   GLU  79          1HB       GLU  79   5.484   8.883  18.776
  518   2HB   GLU  79          2HB       GLU  79   5.308   7.901  20.230
  519   1HG   GLU  79          1HG       GLU  79   4.045   6.215  18.929
  520   2HG   GLU  79          2HG       GLU  79   4.250   7.193  17.475
  521    H    ILE  80           H        ILE  80   1.505   7.593  18.473
  522    HA   ILE  80           HA       ILE  80   0.743   6.192  21.014
  523    HB   ILE  80           HB       ILE  80  -0.790   7.158  18.587
  524   1HG1  ILE  80          1HG1      ILE  80  -1.252   7.713  21.524
  525   2HG1  ILE  80          2HG1      ILE  80  -0.191   8.710  20.528
  526   1HG2  ILE  80          1HG2      ILE  80  -1.525   4.861  19.361
  527   2HG2  ILE  80          2HG2      ILE  80  -1.909   5.586  20.922
  528   3HG2  ILE  80          3HG2      ILE  80  -2.768   6.107  19.473
  529   1HD1  ILE  80          1HD1      ILE  80  -2.173   8.925  18.911
  530   2HD1  ILE  80          2HD1      ILE  80  -3.163   8.257  20.209
  531   3HD1  ILE  80          3HD1      ILE  80  -2.316   9.785  20.444
  532    H    ASP  81           H        ASP  81   0.555   3.943  20.955
  533    HA   ASP  81           HA       ASP  81   1.759   2.534  18.687
  534   1HB   ASP  81          1HB       ASP  81   0.933   2.053  21.474
  535   2HB   ASP  81          2HB       ASP  81   0.717   0.656  20.421
  536    H    MET  82           H        MET  82   0.538   2.041  16.901
  537    HA   MET  82           HA       MET  82  -2.410   1.701  17.221
  538   1HB   MET  82          2HB       MET  82  -0.727   1.986  14.717
  539   2HB   MET  82          1HB       MET  82  -2.469   2.214  14.859
  540   1HG   MET  82          1HG       MET  82  -1.484   3.938  16.779
  541   2HG   MET  82          2HG       MET  82  -0.282   4.070  15.495
  542   1HE   MET  82          1HE       MET  82  -1.420   3.650  12.942
  543   2HE   MET  82          2HE       MET  82  -2.179   5.157  12.407
  544   3HE   MET  82          3HE       MET  82  -0.626   5.195  13.240
  545    H    ASP  83           H        ASP  83  -3.144   0.092  15.248
  546    HA   ASP  83           HA       ASP  83  -2.492  -2.553  16.083
  547   1HB   ASP  83          1HB       ASP  83  -3.699  -3.121  13.929
  548   2HB   ASP  83          2HB       ASP  83  -4.567  -1.995  14.972
  549    H    MET  84           H        MET  84  -1.672  -4.220  14.354
  550    HA   MET  84           HA       MET  84   1.061  -3.466  13.627
  551   1HB   MET  84          1HB       MET  84  -0.143  -5.724  14.466
  552   2HB   MET  84          2HB       MET  84  -0.221  -6.005  12.727
  553   1HG   MET  84          1HG       MET  84   2.232  -5.559  12.587
  554   2HG   MET  84          2HG       MET  84   2.275  -5.403  14.343
  555   1HE   MET  84          1HE       MET  84   2.741  -7.064  11.504
  556   2HE   MET  84          2HE       MET  84   3.448  -8.576  12.068
  557   3HE   MET  84          3HE       MET  84   1.795  -8.548  11.439
  558    H    GLN  85           H        GLN  85   0.568  -1.800  11.979
  559    HA   GLN  85           HA       GLN  85   0.484  -2.873   9.287
  560   1HB   GLN  85          1HB       GLN  85  -1.969  -2.552  10.617
  561   2HB   GLN  85          2HB       GLN  85  -1.857  -1.162   9.537
  562   1HG   GLN  85          1HG       GLN  85  -1.980  -2.454   7.655
  563   2HG   GLN  85          2HG       GLN  85  -1.039  -3.762   8.369
  564   2HE2  GLN  85          2HE2      GLN  85  -2.394  -5.577   8.254
  565   1HE2  GLN  85          1HE2      GLN  85  -4.002  -5.613   8.796
  566    H    GLN  86           H        GLN  86  -0.705  -0.488   8.115
  567    HA   GLN  86           HA       GLN  86   0.955   1.759   9.138
  568   1HB   GLN  86          1HB       GLN  86   1.361   0.142   6.668
  569   2HB   GLN  86          2HB       GLN  86   1.576   1.886   6.512
  570   1HG   GLN  86          1HG       GLN  86   3.434   1.911   7.861
  571   2HG   GLN  86          2HG       GLN  86   2.838   0.602   8.882
  572   2HE2  GLN  86          2HE2      GLN  86   2.447  -1.491   7.132
  573   1HE2  GLN  86          1HE2      GLN  86   3.890  -1.888   6.329
  574    H    ILE  87           H        ILE  87  -0.329   1.477   5.874
  575    HA   ILE  87           HA       ILE  87  -2.043   2.686   4.782
  576    HB   ILE  87           HB       ILE  87  -3.308   2.673   7.532
  577   1HG1  ILE  87          1HG1      ILE  87  -3.234   0.422   5.499
  578   2HG1  ILE  87          2HG1      ILE  87  -2.335   0.442   7.016
  579   1HG2  ILE  87          1HG2      ILE  87  -4.199   3.072   4.739
  580   2HG2  ILE  87          2HG2      ILE  87  -5.222   2.006   5.701
  581   3HG2  ILE  87          3HG2      ILE  87  -4.912   3.655   6.242
  582   1HD1  ILE  87          1HD1      ILE  87  -5.307   0.888   7.045
  583   2HD1  ILE  87          2HD1      ILE  87  -4.673  -0.753   6.919
  584   3HD1  ILE  87          3HD1      ILE  87  -4.268   0.245   8.317
  585    H    LEU  88           H        LEU  88  -3.291   4.836   4.918
  586    HA   LEU  88           HA       LEU  88  -3.277   7.173   5.259
  587   1HB   LEU  88          1HB       LEU  88  -1.854   6.412   7.826
  588   2HB   LEU  88          2HB       LEU  88  -2.826   7.853   7.536
  589    HG   LEU  88           HG       LEU  88  -4.007   5.092   7.233
  590   1HD1  LEU  88          1HD1      LEU  88  -2.962   5.427   9.528
  591   2HD1  LEU  88          2HD1      LEU  88  -4.093   6.761   9.756
  592   3HD1  LEU  88          3HD1      LEU  88  -4.698   5.120   9.530
  593   1HD2  LEU  88          1HD2      LEU  88  -5.092   7.874   7.737
  594   2HD2  LEU  88          2HD2      LEU  88  -5.332   6.877   6.303
  595   3HD2  LEU  88          3HD2      LEU  88  -6.080   6.417   7.832
  596    H    SER  89           H        SER  89  -1.602   9.024   5.850
  597    HA   SER  89           HA       SER  89   1.144   8.209   4.965
  598   1HB   SER  89          1HB       SER  89  -0.806  10.201   3.857
  599   2HB   SER  89          2HB       SER  89   0.917  10.554   3.736
  600    HG   SER  89           HG       SER  89  -0.252   9.229   2.019
  601    H    ASP  90           H        ASP  90   2.819   9.718   5.678
  602    HA   ASP  90           HA       ASP  90   2.486  10.707   8.338
  603   1HB   ASP  90          1HB       ASP  90   4.531  10.190   6.540
  604   2HB   ASP  90          2HB       ASP  90   4.608  11.941   6.733
  605    H    GLU  91           H        GLU  91   2.357  12.330   5.183
  606    HA   GLU  91           HA       GLU  91   2.343  15.028   5.939
  607   1HB   GLU  91          1HB       GLU  91   1.939  13.581   3.665
  608   2HB   GLU  91          2HB       GLU  91   0.302  14.166   3.963
  609   1HG   GLU  91          2HG       GLU  91   0.998  16.059   2.914
  610   2HG   GLU  91          1HG       GLU  91   1.810  16.420   4.438
  611    H    GLU  92           H        GLU  92  -0.154  12.587   6.309
  612    HA   GLU  92           HA       GLU  92  -2.290  14.426   7.033
  613   1HB   GLU  92          1HB       GLU  92  -2.001  11.757   6.347
  614   2HB   GLU  92          2HB       GLU  92  -2.394  11.673   8.064
  615   1HG   GLU  92          1HG       GLU  92  -4.309  13.289   7.565
  616   2HG   GLU  92          2HG       GLU  92  -3.994  12.987   5.856
  617    H    VAL  93           H        VAL  93  -0.086  12.297   8.876
  618    HA   VAL  93           HA       VAL  93  -1.042  13.289  11.462
  619    HB   VAL  93           HB       VAL  93   1.322  11.587  10.602
  620   1HG1  VAL  93          1HG1      VAL  93   0.256  12.428  13.277
  621   2HG1  VAL  93          2HG1      VAL  93   0.956  10.819  13.103
  622   3HG1  VAL  93          3HG1      VAL  93   1.930  12.246  12.750
  623   1HG2  VAL  93          1HG2      VAL  93  -1.096  10.806  10.146
  624   2HG2  VAL  93          2HG2      VAL  93  -0.052   9.704  11.045
  625   3HG2  VAL  93          3HG2      VAL  93  -1.250  10.677  11.898
  626    H    GLU  94           H        GLU  94   0.997  14.529   9.088
  627    HA   GLU  94           HA       GLU  94   2.800  15.916  11.012
  628   1HB   GLU  94          1HB       GLU  94   2.700  15.478   8.023
  629   2HB   GLU  94          2HB       GLU  94   3.813  16.642   8.740
  630   1HG   GLU  94          1HG       GLU  94   4.319  14.534  10.339
  631   2HG   GLU  94          2HG       GLU  94   3.825  13.668   8.884
  632    H    GLU  95           H        GLU  95   0.432  16.592   8.431
  633    HA   GLU  95           HA       GLU  95   0.532  19.494   8.974
  634   1HB   GLU  95          1HB       GLU  95  -0.809  17.630   7.027
  635   2HB   GLU  95          2HB       GLU  95  -1.351  19.303   7.157
  636   1HG   GLU  95          1HG       GLU  95   1.333  19.685   7.037
  637   2HG   GLU  95          2HG       GLU  95   1.190  18.212   6.077
  638    H    LYS  96           H        LYS  96  -1.979  16.924   9.045
  639    HA   LYS  96           HA       LYS  96  -3.769  18.681  10.608
  640   1HB   LYS  96          1HB       LYS  96  -3.887  16.019   9.225
  641   2HB   LYS  96          2HB       LYS  96  -5.112  16.401  10.436
  642   1HG   LYS  96          1HG       LYS  96  -6.201  17.674   8.934
  643   2HG   LYS  96          2HG       LYS  96  -4.775  18.698   8.767
  644   1HD   LYS  96          1HD       LYS  96  -5.445  17.728   6.589
  645   2HD   LYS  96          2HD       LYS  96  -3.853  17.151   7.084
  646   1HE   LYS  96          1HE       LYS  96  -4.839  15.119   6.520
  647   2HE   LYS  96          2HE       LYS  96  -5.354  15.220   8.215
  648   1HZ   LYS  96          1HZ       LYS  96  -7.345  16.429   7.448
  649   2HZ   LYS  96          2HZ       LYS  96  -6.868  16.176   5.838
  650   3HZ   LYS  96          3HZ       LYS  96  -7.273  14.852   6.821
  651    H    ASP  97           H        ASP  97  -1.573  15.996  11.121
  652    HA   ASP  97           HA       ASP  97  -0.797  15.053  13.154
  653   1HB   ASP  97          2HB       ASP  97  -2.561  17.049  14.570
  654   2HB   ASP  97          1HB       ASP  97  -0.985  16.430  15.063
  655    H    VAL  98           H        VAL  98  -3.437  14.320  11.822
  656    HA   VAL  98           HA       VAL  98  -5.166  13.544  14.073
  657    HB   VAL  98           HB       VAL  98  -6.003  14.321  11.858
  658   1HG1  VAL  98          1HG1      VAL  98  -4.552  11.830  10.950
  659   2HG1  VAL  98          2HG1      VAL  98  -5.849  12.553   9.997
  660   3HG1  VAL  98          3HG1      VAL  98  -4.383  13.473  10.335
  661   1HG2  VAL  98          1HG2      VAL  98  -6.658  11.445  12.569
  662   2HG2  VAL  98          2HG2      VAL  98  -7.440  12.885  13.221
  663   3HG2  VAL  98          3HG2      VAL  98  -7.637  12.469  11.518
  664    H    ARG  99           H        ARG  99  -5.702  11.277  14.500
  665    HA   ARG  99           HA       ARG  99  -4.059   9.147  13.330
  666   1HB   ARG  99          1HB       ARG  99  -3.075  10.664  15.487
  667   2HB   ARG  99          2HB       ARG  99  -3.625   9.149  16.202
  668   1HG   ARG  99          1HG       ARG  99  -2.243   7.855  14.720
  669   2HG   ARG  99          2HG       ARG  99  -1.865   9.271  13.740
  670   1HD   ARG  99          1HD       ARG  99  -0.744  10.291  15.754
  671   2HD   ARG  99          2HD       ARG  99  -0.993   8.755  16.605
  672    HE   ARG  99           HE       ARG  99   0.162   7.960  14.233
  673   1HH1  ARG  99          1HH1      ARG  99   1.118   9.269  17.171
  674   2HH1  ARG  99          2HH1      ARG  99   2.738   9.637  16.682
  675   1HH2  ARG  99          1HH2      ARG  99   2.184   8.881  13.344
  676   2HH2  ARG  99          2HH2      ARG  99   3.341   9.418  14.515
  677    H    LEU 100           H        LEU 100  -4.372   7.218  15.300
  678    HA   LEU 100           HA       LEU 100  -7.353   7.019  15.480
  679   1HB   LEU 100          1HB       LEU 100  -5.063   5.115  15.119
  680   2HB   LEU 100          2HB       LEU 100  -6.560   4.515  15.834
  681    HG   LEU 100           HG       LEU 100  -7.716   5.708  13.821
  682   1HD1  LEU 100          1HD1      LEU 100  -4.820   5.826  13.141
  683   2HD1  LEU 100          2HD1      LEU 100  -5.918   5.364  11.842
  684   3HD1  LEU 100          3HD1      LEU 100  -6.131   6.906  12.669
  685   1HD2  LEU 100          1HD2      LEU 100  -7.309   3.179  14.281
  686   2HD2  LEU 100          2HD2      LEU 100  -7.708   3.672  12.636
  687   3HD2  LEU 100          3HD2      LEU 100  -6.035   3.320  13.070
  688    H    THR 101           H        THR 101  -8.226   7.164  17.502
  689    HA   THR 101           HA       THR 101  -6.492   6.473  19.854
  690    HB   THR 101           HB       THR 101  -6.763   8.906  19.545
  691    HG1  THR 101           HG1      THR 101  -6.720   8.332  21.654
  692   1HG2  THR 101          1HG2      THR 101  -9.532   8.066  19.035
  693   2HG2  THR 101          2HG2      THR 101  -9.401   9.462  20.105
  694   3HG2  THR 101          3HG2      THR 101  -8.678   9.512  18.497
  695    H    CYS 102           H        CYS 102  -9.081   5.464  18.136
  696    HA   CYS 102           HA       CYS 102 -11.043   5.057  20.269
  697   1HB   CYS 102          1HB       CYS 102 -10.708   3.944  17.465
  698   2HB   CYS 102          2HB       CYS 102 -12.151   3.731  18.457
  699    H    ILE 103           H        ILE 103  -8.403   3.222  18.821
  700    HA   ILE 103           HA       ILE 103  -8.721   1.167  20.952
  701    HB   ILE 103           HB       ILE 103  -8.354  -0.550  19.056
  702   1HG1  ILE 103          1HG1      ILE 103  -9.342   1.802  17.414
  703   2HG1  ILE 103          2HG1      ILE 103  -7.694   1.174  17.369
  704   1HG2  ILE 103          1HG2      ILE 103 -10.626   0.472  20.230
  705   2HG2  ILE 103          2HG2      ILE 103 -10.980   0.664  18.513
  706   3HG2  ILE 103          3HG2      ILE 103 -10.590  -0.930  19.160
  707   1HD1  ILE 103          1HD1      ILE 103  -8.799  -1.110  16.846
  708   2HD1  ILE 103          2HD1      ILE 103 -10.243  -0.168  16.470
  709   3HD1  ILE 103          3HD1      ILE 103  -8.756   0.092  15.557
  710    H    GLY 104           H        GLY 104  -6.767   3.374  20.215
  711   1HA   GLY 104          2HA       GLY 104  -4.431   3.424  19.414
  712   2HA   GLY 104          1HA       GLY 104  -4.335   1.697  19.761
  713    H    SER 105           H        SER 105  -2.408   2.340  21.070
  714    HA   SER 105           HA       SER 105  -3.218   3.401  23.759
  715   1HB   SER 105          1HB       SER 105  -1.257   1.781  24.434
  716   2HB   SER 105          2HB       SER 105  -2.846   1.106  24.067
  717    HG   SER 105           HG       SER 105  -0.486   0.797  22.764
  718    HA   PRO 106           HA       PRO 106   0.118   6.231  23.494
  719   1HB   PRO 106          1HB       PRO 106   1.169   6.165  26.024
  720   2HB   PRO 106          2HB       PRO 106  -0.387   6.926  25.640
  721   1HG   PRO 106          2HG       PRO 106   0.180   4.251  26.829
  722   2HG   PRO 106          1HG       PRO 106  -1.092   5.414  27.230
  723   1HD   PRO 106          1HD       PRO 106  -1.509   3.194  25.700
  724   2HD   PRO 106          2HD       PRO 106  -2.463   4.684  25.542
  725    H    ALA 107           H        ALA 107   2.073   5.931  22.499
  726    HA   ALA 107           HA       ALA 107   3.675   3.503  23.193
  727   1HB   ALA 107          1HB       ALA 107   4.039   5.342  20.826
  728   2HB   ALA 107          3HB       ALA 107   2.764   4.124  20.839
  729   3HB   ALA 107          2HB       ALA 107   4.454   3.633  20.960
  730    H    ALA 108           H        ALA 108   3.663   6.962  23.391
  731    HA   ALA 108           HA       ALA 108   6.587   6.968  24.058
  732   1HB   ALA 108          1HB       ALA 108   6.369   8.500  22.345
  733   2HB   ALA 108          3HB       ALA 108   4.682   8.839  22.728
  734   3HB   ALA 108          2HB       ALA 108   5.967   9.562  23.695
  735    H    ASP 109           H        ASP 109   7.149   7.538  26.141
  736    HA   ASP 109           HA       ASP 109   5.485   7.492  28.343
  737   1HB   ASP 109          1HB       ASP 109   8.129   8.433  27.640
  738   2HB   ASP 109          2HB       ASP 109   7.416   9.495  28.854
  739    H    GLU 110           H        GLU 110   6.518  10.530  26.731
  740    HA   GLU 110           HA       GLU 110   4.107  11.865  27.904
  741   1HB   GLU 110          1HB       GLU 110   5.423  13.887  27.745
  742   2HB   GLU 110          2HB       GLU 110   6.459  12.643  28.445
  743   1HG   GLU 110          2HG       GLU 110   7.891  13.397  26.807
  744   2HG   GLU 110          1HG       GLU 110   7.002  12.211  25.851
  745    H    VAL 111           H        VAL 111   2.540  12.572  26.487
  746    HA   VAL 111           HA       VAL 111   3.264  12.960  23.616
  747    HB   VAL 111           HB       VAL 111   0.977  11.273  24.686
  748   1HG1  VAL 111          1HG1      VAL 111   0.971  12.627  22.356
  749   2HG1  VAL 111          2HG1      VAL 111   1.861  11.193  21.843
  750   3HG1  VAL 111          3HG1      VAL 111   0.242  11.029  22.522
  751   1HG2  VAL 111          1HG2      VAL 111   3.754  10.668  23.796
  752   2HG2  VAL 111          2HG2      VAL 111   2.742   9.827  24.971
  753   3HG2  VAL 111          3HG2      VAL 111   2.488   9.571  23.244
  754    H    LYS 112           H        LYS 112   1.732  14.339  22.487
  755    HA   LYS 112           HA       LYS 112  -0.209  15.782  24.261
  756   1HB   LYS 112          1HB       LYS 112   1.654  16.976  22.182
  757   2HB   LYS 112          2HB       LYS 112   0.586  17.868  23.264
  758   1HG   LYS 112          1HG       LYS 112   2.130  16.161  24.910
  759   2HG   LYS 112          2HG       LYS 112   3.255  16.887  23.764
  760   1HD   LYS 112          1HD       LYS 112   1.397  18.893  24.665
  761   2HD   LYS 112          2HD       LYS 112   2.112  18.093  26.065
  762   1HE   LYS 112          1HE       LYS 112   3.936  19.410  25.739
  763   2HE   LYS 112          2HE       LYS 112   4.251  18.472  24.268
  764   1HZ   LYS 112          1HZ       LYS 112   2.373  19.980  23.316
  765   2HZ   LYS 112          2HZ       LYS 112   2.811  21.024  24.581
  766   3HZ   LYS 112          3HZ       LYS 112   3.959  20.578  23.410
  767    H    ILE 113           H        ILE 113  -2.165  16.301  23.248
  768    HA   ILE 113           HA       ILE 113  -2.469  16.142  20.328
  769    HB   ILE 113           HB       ILE 113  -2.463  13.780  21.104
  770   1HG1  ILE 113          1HG1      ILE 113  -5.307  13.981  20.527
  771   2HG1  ILE 113          2HG1      ILE 113  -4.368  15.053  19.491
  772   1HG2  ILE 113          1HG2      ILE 113  -4.817  14.721  22.771
  773   2HG2  ILE 113          2HG2      ILE 113  -4.359  13.033  22.548
  774   3HG2  ILE 113          3HG2      ILE 113  -3.269  14.139  23.384
  775   1HD1  ILE 113          1HD1      ILE 113  -2.811  12.856  19.362
  776   2HD1  ILE 113          2HD1      ILE 113  -4.372  12.083  19.636
  777   3HD1  ILE 113          3HD1      ILE 113  -4.145  13.142  18.243
  778    H    VAL 114           H        VAL 114  -4.613  16.885  19.658
  779    HA   VAL 114           HA       VAL 114  -5.997  18.453  21.803
  780    HB   VAL 114           HB       VAL 114  -6.224  18.762  18.800
  781   1HG1  VAL 114          1HG1      VAL 114  -7.824  19.895  20.461
  782   2HG1  VAL 114          2HG1      VAL 114  -6.434  20.855  20.969
  783   3HG1  VAL 114          3HG1      VAL 114  -7.009  20.949  19.305
  784   1HG2  VAL 114          1HG2      VAL 114  -3.818  18.836  19.580
  785   2HG2  VAL 114          2HG2      VAL 114  -4.395  20.338  18.859
  786   3HG2  VAL 114          3HG2      VAL 114  -4.262  20.195  20.612
  787    H    TYR 115           H        TYR 115  -7.849  17.457  22.510
  788    HA   TYR 115           HA       TYR 115  -9.156  15.385  20.914
  789   1HB   TYR 115          2HB       TYR 115  -9.947  14.784  22.963
  790   2HB   TYR 115          1HB       TYR 115  -8.819  15.982  23.587
  791    HD1  TYR 115           HD1      TYR 115  -9.637  18.348  24.018
  792    HD2  TYR 115           HD2      TYR 115 -12.293  15.088  23.134
  793    HE1  TYR 115           HE1      TYR 115 -11.538  19.650  24.925
  794    HE2  TYR 115           HE2      TYR 115 -14.196  16.394  24.043
  795    HH   TYR 115           HH       TYR 115 -13.723  19.355  25.787
  796    H    ASN 116           H        ASN 116 -11.374  15.494  20.184
  797    HA   ASN 116           HA       ASN 116 -13.329  16.551  19.354
  798   1HB   ASN 116          1HB       ASN 116 -12.564  18.050  21.547
  799   2HB   ASN 116          2HB       ASN 116 -12.598  19.251  20.258
  800   2HD2  ASN 116          2HD2      ASN 116 -14.547  18.972  22.503
  801   1HD2  ASN 116          1HD2      ASN 116 -16.059  18.716  21.777
  802    H    ALA 117           H        ALA 117 -11.120  16.212  17.672
  803    HA   ALA 117           HA       ALA 117 -10.284  18.650  16.359
  804   1HB   ALA 117          1HB       ALA 117  -9.085  16.474  16.301
  805   2HB   ALA 117          3HB       ALA 117  -9.445  17.050  14.673
  806   3HB   ALA 117          2HB       ALA 117 -10.425  15.773  15.393
  807    H    LYS 118           H        LYS 118 -13.228  16.931  16.374
  808    HA   LYS 118           HA       LYS 118 -14.172  17.213  13.707
  809   1HB   LYS 118          2HB       LYS 118 -16.340  16.904  14.747
  810   2HB   LYS 118          1HB       LYS 118 -15.171  15.950  15.661
  811   1HG   LYS 118          2HG       LYS 118 -16.039  17.031  17.468
  812   2HG   LYS 118          1HG       LYS 118 -15.013  18.365  16.944
  813   1HD   LYS 118          1HD       LYS 118 -17.072  19.437  17.066
  814   2HD   LYS 118          2HD       LYS 118 -17.079  18.916  15.381
  815   1HE   LYS 118          1HE       LYS 118 -18.944  17.692  15.782
  816   2HE   LYS 118          2HE       LYS 118 -18.064  16.755  17.004
  817    H    HIS 119           H        HIS 119 -13.558  19.596  16.144
  818    HA   HIS 119           HA       HIS 119 -15.429  21.620  15.298
  819   1HB   HIS 119          1HB       HIS 119 -12.823  21.551  16.827
  820   2HB   HIS 119          2HB       HIS 119 -13.681  23.066  16.544
  821    HD1  HIS 119           HD1      HIS 119 -16.495  22.600  17.083
  822    HD2  HIS 119           HD2      HIS 119 -13.599  20.547  19.274
  823    HE1  HIS 119           HE1      HIS 119 -17.623  21.828  19.215
  824    H    LEU 120           H        LEU 120 -12.189  20.691  14.223
  825    HA   LEU 120           HA       LEU 120 -11.261  22.889  12.824
  826   1HB   LEU 120          1HB       LEU 120 -10.923  20.076  12.839
  827   2HB   LEU 120          2HB       LEU 120 -11.126  20.538  11.149
  828    HG   LEU 120           HG       LEU 120  -9.397  22.392  12.607
  829   1HD1  LEU 120          1HD1      LEU 120  -8.883  19.450  12.726
  830   2HD1  LEU 120          2HD1      LEU 120  -7.512  20.509  12.397
  831   3HD1  LEU 120          3HD1      LEU 120  -8.448  20.712  13.878
  832   1HD2  LEU 120          1HD2      LEU 120  -9.758  22.053  10.080
  833   2HD2  LEU 120          2HD2      LEU 120  -8.091  22.226  10.628
  834   3HD2  LEU 120          3HD2      LEU 120  -8.731  20.628  10.245
  835    H    ASP 121           H        ASP 121 -11.822  23.972  10.923
  836    HA   ASP 121           HA       ASP 121 -14.482  24.028   9.991
  837   1HB   ASP 121          1HB       ASP 121 -12.700  25.743   9.660
  838   2HB   ASP 121          2HB       ASP 121 -11.922  24.674   8.492
  839    H    TYR 122           H        TYR 122 -11.807  21.943   9.034
  840    HA   TYR 122           HA       TYR 122 -13.011  20.964   6.585
  841   1HB   TYR 122          1HB       TYR 122 -10.559  20.945   7.411
  842   2HB   TYR 122          2HB       TYR 122 -11.022  19.524   8.348
  843    HD1  TYR 122           HD1      TYR 122 -11.557  20.849   4.869
  844    HD2  TYR 122           HD2      TYR 122 -10.605  17.470   7.344
  845    HE1  TYR 122           HE1      TYR 122 -11.320  19.436   2.846
  846    HE2  TYR 122           HE2      TYR 122 -10.368  16.056   5.320
  847    HH   TYR 122           HH       TYR 122 -11.565  16.524   2.602
  848    H    LEU 123           H        LEU 123 -13.711  20.449   9.881
  849    HA   LEU 123           HA       LEU 123 -15.032  17.824   9.281
  850   1HB   LEU 123          1HB       LEU 123 -13.697  19.068  11.658
  851   2HB   LEU 123          2HB       LEU 123 -14.983  17.894  11.943
  852    HG   LEU 123           HG       LEU 123 -13.215  16.933   9.869
  853   1HD1  LEU 123          1HD1      LEU 123 -11.871  18.487  11.788
  854   2HD1  LEU 123          2HD1      LEU 123 -11.619  16.815  12.289
  855   3HD1  LEU 123          3HD1      LEU 123 -11.147  17.332  10.670
  856   1HD2  LEU 123          1HD2      LEU 123 -14.757  15.952  11.976
  857   2HD2  LEU 123          2HD2      LEU 123 -13.720  14.995  10.918
  858   3HD2  LEU 123          3HD2      LEU 123 -13.100  15.588  12.459
  859    H    GLN 124           H        GLN 124 -15.463  21.009  10.814
  860    HA   GLN 124           HA       GLN 124 -18.101  20.693  11.801
  861   1HB   GLN 124          1HB       GLN 124 -16.413  22.606  12.063
  862   2HB   GLN 124          2HB       GLN 124 -16.968  23.176  10.489
  863   1HG   GLN 124          2HG       GLN 124 -18.554  24.294  11.669
  864   2HG   GLN 124          1HG       GLN 124 -19.342  22.723  11.815
  865   2HE2  GLN 124          2HE2      GLN 124 -19.435  21.775  13.902
  866   1HE2  GLN 124          1HE2      GLN 124 -18.717  22.460  15.279
  867    H    ASN 125           H        ASN 125 -16.918  21.273   8.531
  868    HA   ASN 125           HA       ASN 125 -19.141  22.187   7.147
  869   1HB   ASN 125          1HB       ASN 125 -16.776  20.547   6.652
  870   2HB   ASN 125          2HB       ASN 125 -18.109  20.108   5.584
  871   2HD2  ASN 125          2HD2      ASN 125 -16.130  21.233   4.183
  872   1HD2  ASN 125          1HD2      ASN 125 -16.415  22.869   3.835
  873    H    ARG 126           H        ARG 126 -18.562  18.889   8.348
  874    HA   ARG 126           HA       ARG 126 -20.574  17.399   7.175
  875   1HB   ARG 126          1HB       ARG 126 -19.071  17.458   9.663
  876   2HB   ARG 126          2HB       ARG 126 -20.683  16.789   9.917
  877   1HG   ARG 126          1HG       ARG 126 -19.295  15.840   7.481
  878   2HG   ARG 126          2HG       ARG 126 -18.564  15.334   9.003
  879   1HD   ARG 126          1HD       ARG 126 -21.314  14.974   9.412
  880   2HD   ARG 126          2HD       ARG 126 -21.028  14.396   7.759
  881    HE   ARG 126           HE       ARG 126 -18.921  13.279   9.041
  882   1HH1  ARG 126          1HH1      ARG 126 -19.309  12.831  11.584
  883   2HH1  ARG 126          2HH1      ARG 126 -20.605  11.702  11.800
  884   1HH2  ARG 126          1HH2      ARG 126 -21.863  12.127   8.597
  885   2HH2  ARG 126          2HH2      ARG 126 -22.050  11.304  10.109
  886    H    VAL 127           H        VAL 127 -20.949  19.806   9.767
  887    HA   VAL 127           HA       VAL 127 -23.677  19.353  10.411
  888    HB   VAL 127           HB       VAL 127 -21.963  21.856  10.347
  889   1HG1  VAL 127          1HG1      VAL 127 -24.478  22.255  10.389
  890   2HG1  VAL 127          2HG1      VAL 127 -24.501  21.406  11.935
  891   3HG1  VAL 127          3HG1      VAL 127 -23.587  22.905  11.767
  892   1HG2  VAL 127          1HG2      VAL 127 -22.612  19.781  12.453
  893   2HG2  VAL 127          2HG2      VAL 127 -21.025  20.216  11.820
  894   3HG2  VAL 127          3HG2      VAL 127 -21.906  21.348  12.847
  895    H    ILE 128           H        ILE 128 -22.606  22.185   8.519
  896    HA   ILE 128           HA       ILE 128 -24.753  21.633   6.518
  897    HB   ILE 128           HB       ILE 128 -25.334  24.130   6.819
  898   1HG1  ILE 128          1HG1      ILE 128 -24.416  23.972   9.613
  899   2HG1  ILE 128          2HG1      ILE 128 -23.108  24.097   8.436
  900   1HG2  ILE 128          1HG2      ILE 128 -25.852  22.080   8.990
  901   2HG2  ILE 128          2HG2      ILE 128 -26.711  23.616   8.880
  902   3HG2  ILE 128          3HG2      ILE 128 -26.862  22.427   7.586
  903   1HD1  ILE 128          1HD1      ILE 128 -24.372  26.036   7.396
  904   2HD1  ILE 128          2HD1      ILE 128 -25.458  25.979   8.784
  905   3HD1  ILE 128          3HD1      ILE 128 -23.748  26.345   9.016

  No H/Q in entry =         905
  Start of MODEL    8
    1    H2   PRO   1           H2       PRO   1   4.090   8.829  31.096
    2    H3   PRO   1           H3       PRO   1   4.953   7.840  30.014
    3    HA   PRO   1           HA       PRO   1   3.132   7.702  28.768
    4   1HB   PRO   1          1HB       PRO   1   1.270   6.375  30.272
    5   2HB   PRO   1          2HB       PRO   1   2.708   5.586  29.599
    6   1HG   PRO   1          2HG       PRO   1   2.202   6.580  32.361
    7   2HG   PRO   1          1HG       PRO   1   3.036   5.114  31.826
    8   1HD   PRO   1          1HD       PRO   1   4.329   7.365  32.663
    9   2HD   PRO   1          2HD       PRO   1   5.020   6.211  31.504
   10    H    THR   2           H        THR   2   3.149  10.247  29.558
   11    HA   THR   2           HA       THR   2   0.431  10.830  30.685
   12    HB   THR   2           HB       THR   2   3.004  12.439  30.587
   13    HG1  THR   2           HG1      THR   2   1.579  11.157  32.677
   14   1HG2  THR   2          1HG2      THR   2   0.894  13.804  30.433
   15   2HG2  THR   2          2HG2      THR   2   0.400  13.111  31.978
   16   3HG2  THR   2          3HG2      THR   2   1.846  14.116  31.885
   17    H    VAL   3           H        VAL   3  -1.010  11.536  29.168
   18    HA   VAL   3           HA       VAL   3   0.059  12.879  26.704
   19    HB   VAL   3           HB       VAL   3  -2.507  11.315  27.148
   20   1HG1  VAL   3          1HG1      VAL   3  -1.197  12.595  24.751
   21   2HG1  VAL   3          2HG1      VAL   3  -2.316  11.246  24.563
   22   3HG1  VAL   3          3HG1      VAL   3  -2.864  12.748  25.306
   23   1HG2  VAL   3          1HG2      VAL   3  -0.044  10.215  27.181
   24   2HG2  VAL   3          2HG2      VAL   3  -1.435   9.404  26.460
   25   3HG2  VAL   3          3HG2      VAL   3  -0.300  10.286  25.437
   26    H    GLU   4           H        GLU   4  -0.314  15.065  26.844
   27    HA   GLU   4           HA       GLU   4  -2.440  16.153  28.550
   28   1HB   GLU   4          1HB       GLU   4   0.020  16.975  27.791
   29   2HB   GLU   4          2HB       GLU   4  -0.949  17.823  26.586
   30   1HG   GLU   4          1HG       GLU   4  -2.084  19.082  28.192
   31   2HG   GLU   4          2HG       GLU   4  -1.771  17.912  29.474
   32    H    TYR   5           H        TYR   5  -4.526  16.152  27.779
   33    HA   TYR   5           HA       TYR   5  -5.023  16.237  24.859
   34   1HB   TYR   5          2HB       TYR   5  -7.315  15.696  25.559
   35   2HB   TYR   5          1HB       TYR   5  -6.172  14.642  26.390
   36    HD1  TYR   5           HD1      TYR   5  -8.363  17.605  26.755
   37    HD2  TYR   5           HD2      TYR   5  -5.834  14.781  28.773
   38    HE1  TYR   5           HE1      TYR   5  -9.228  18.393  28.941
   39    HE2  TYR   5           HE2      TYR   5  -6.697  15.570  30.959
   40    HH   TYR   5           HH       TYR   5  -8.914  16.725  31.749
   41    H    LEU   6           H        LEU   6  -5.935  18.013  23.819
   42    HA   LEU   6           HA       LEU   6  -6.636  20.394  25.508
   43   1HB   LEU   6          1HB       LEU   6  -4.390  20.031  23.904
   44   2HB   LEU   6          2HB       LEU   6  -5.483  20.954  22.872
   45    HG   LEU   6           HG       LEU   6  -4.594  21.696  25.677
   46   1HD1  LEU   6          1HD1      LEU   6  -3.684  22.346  22.966
   47   2HD1  LEU   6          2HD1      LEU   6  -4.050  23.777  23.929
   48   3HD1  LEU   6          3HD1      LEU   6  -2.872  22.599  24.511
   49   1HD2  LEU   6          1HD2      LEU   6  -6.751  22.725  23.872
   50   2HD2  LEU   6          2HD2      LEU   6  -6.743  22.569  25.629
   51   3HD2  LEU   6          3HD2      LEU   6  -5.855  23.882  24.856
   52    H    ASN   7           H        ASN   7  -8.701  21.059  25.055
   53    HA   ASN   7           HA       ASN   7 -10.363  19.922  23.043
   54   1HB   ASN   7          1HB       ASN   7 -11.098  21.058  25.121
   55   2HB   ASN   7          2HB       ASN   7 -10.537  22.595  24.469
   56   2HD2  ASN   7          2HD2      ASN   7 -12.738  23.477  24.448
   57   1HD2  ASN   7          1HD2      ASN   7 -13.884  22.950  23.312
   58    H    TYR   8           H        TYR   8 -10.392  20.310  20.862
   59    HA   TYR   8           HA       TYR   8  -8.665  22.168  19.550
   60   1HB   TYR   8          1HB       TYR   8  -9.645  20.138  18.539
   61   2HB   TYR   8          2HB       TYR   8 -11.254  20.850  18.658
   62    HD1  TYR   8           HD1      TYR   8 -11.797  22.924  17.346
   63    HD2  TYR   8           HD2      TYR   8  -8.142  20.740  16.781
   64    HE1  TYR   8           HE1      TYR   8 -11.451  24.067  15.172
   65    HE2  TYR   8           HE2      TYR   8  -7.795  21.882  14.608
   66    HH   TYR   8           HH       TYR   8  -8.539  24.091  13.554
   67    H    GLU   9           H        GLU   9 -12.010  22.418  20.678
   68    HA   GLU   9           HA       GLU   9 -12.713  24.859  19.352
   69   1HB   GLU   9          1HB       GLU   9 -13.857  22.981  21.060
   70   2HB   GLU   9          2HB       GLU   9 -13.834  24.454  22.031
   71   1HG   GLU   9          1HG       GLU   9 -14.658  24.981  19.283
   72   2HG   GLU   9          2HG       GLU   9 -15.712  23.804  20.068
   73    H    THR  10           H        THR  10 -10.999  24.167  22.374
   74    HA   THR  10           HA       THR  10 -11.004  26.809  23.478
   75    HB   THR  10           HB       THR  10  -9.173  24.406  23.660
   76    HG1  THR  10           HG1      THR  10 -10.193  24.687  25.890
   77   1HG2  THR  10          1HG2      THR  10  -7.920  26.534  24.108
   78   2HG2  THR  10          2HG2      THR  10  -9.079  26.889  25.390
   79   3HG2  THR  10          3HG2      THR  10  -8.036  25.472  25.513
   80    H    LEU  11           H        LEU  11  -9.081  25.287  20.960
   81    HA   LEU  11           HA       LEU  11  -6.949  27.247  20.902
   82   1HB   LEU  11          1HB       LEU  11  -7.288  24.791  19.917
   83   2HB   LEU  11          2HB       LEU  11  -7.826  25.689  18.498
   84    HG   LEU  11           HG       LEU  11  -5.458  25.339  18.248
   85   1HD1  LEU  11          1HD1      LEU  11  -6.024  28.137  19.275
   86   2HD1  LEU  11          2HD1      LEU  11  -4.602  27.684  18.336
   87   3HD1  LEU  11          3HD1      LEU  11  -6.209  27.576  17.614
   88   1HD2  LEU  11          1HD2      LEU  11  -5.343  25.108  20.922
   89   2HD2  LEU  11          2HD2      LEU  11  -3.914  25.468  19.952
   90   3HD2  LEU  11          3HD2      LEU  11  -4.774  26.770  20.773
   91    H    ASP  12           H        ASP  12  -9.887  26.770  18.905
   92    HA   ASP  12           HA       ASP  12  -9.467  29.241  17.410
   93   1HB   ASP  12          1HB       ASP  12 -11.804  27.329  17.717
   94   2HB   ASP  12          2HB       ASP  12 -11.733  28.627  16.526
   95    H    ASP  13           H        ASP  13 -11.739  28.183  19.966
   96    HA   ASP  13           HA       ASP  13 -13.261  30.542  20.230
   97   1HB   ASP  13          1HB       ASP  13 -13.614  28.320  21.334
   98   2HB   ASP  13          2HB       ASP  13 -12.263  28.679  22.410
   99    H    GLN  14           H        GLN  14 -10.404  29.648  22.217
  100    HA   GLN  14           HA       GLN  14 -10.136  32.238  23.432
  101   1HB   GLN  14          1HB       GLN  14  -8.172  29.969  22.967
  102   2HB   GLN  14          2HB       GLN  14  -7.918  31.301  24.095
  103   1HG   GLN  14          1HG       GLN  14 -10.450  29.703  24.286
  104   2HG   GLN  14          2HG       GLN  14  -8.961  29.023  24.941
  105   2HE2  GLN  14          2HE2      GLN  14  -8.744  29.505  27.126
  106   1HE2  GLN  14          1HE2      GLN  14  -9.256  30.943  27.868
  107    H    GLY  15           H        GLY  15  -9.466  31.179  20.266
  108   1HA   GLY  15          2HA       GLY  15  -8.426  33.716  19.440
  109   2HA   GLY  15          1HA       GLY  15  -8.424  32.252  18.458
  110    H    TRP  16           H        TRP  16  -6.854  30.625  20.213
  111    HA   TRP  16           HA       TRP  16  -4.275  32.097  20.481
  112   1HB   TRP  16          1HB       TRP  16  -5.659  29.842  21.746
  113   2HB   TRP  16          2HB       TRP  16  -3.966  29.492  21.402
  114    HD1  TRP  16           HD1      TRP  16  -2.860  32.464  21.795
  115    HE1  TRP  16           HE1      TRP  16  -2.675  33.422  24.181
  116    HE3  TRP  16           HE3      TRP  16  -6.157  29.415  24.228
  117    HZ2  TRP  16           HZ2      TRP  16  -3.778  32.957  26.779
  118    HZ3  TRP  16           HZ3      TRP  16  -6.570  29.695  26.656
  119    HH2  TRP  16           HH2      TRP  16  -5.387  31.459  27.933
  120    H    ASP  17           H        ASP  17  -2.326  30.483  19.939
  121    HA   ASP  17           HA       ASP  17  -2.658  29.745  17.091
  122   1HB   ASP  17          1HB       ASP  17  -0.313  29.946  19.005
  123   2HB   ASP  17          2HB       ASP  17  -0.148  29.504  17.305
  124    H    MET  18           H        MET  18  -1.179  27.657  16.570
  125    HA   MET  18           HA       MET  18  -2.523  25.396  17.823
  126   1HB   MET  18          1HB       MET  18  -0.459  25.879  15.691
  127   2HB   MET  18          2HB       MET  18  -0.726  24.236  16.276
  128   1HG   MET  18          1HG       MET  18  -2.994  24.241  15.584
  129   2HG   MET  18          2HG       MET  18  -3.022  25.995  15.409
  130   1HE   MET  18          1HE       MET  18  -2.819  22.730  13.823
  131   2HE   MET  18          2HE       MET  18  -4.046  23.853  13.239
  132   3HE   MET  18          3HE       MET  18  -2.827  23.235  12.127
  133    H    ASP  19           H        ASP  19   0.904  26.457  17.672
  134    HA   ASP  19           HA       ASP  19   1.337  25.136  20.320
  135   1HB   ASP  19          1HB       ASP  19   2.157  24.189  17.781
  136   2HB   ASP  19          2HB       ASP  19   3.608  24.821  18.558
  137    H    ASP  20           H        ASP  20   1.411  27.950  18.690
  138    HA   ASP  20           HA       ASP  20   4.045  29.007  19.189
  139   1HB   ASP  20          1HB       ASP  20   1.994  29.781  17.716
  140   2HB   ASP  20          2HB       ASP  20   1.534  30.658  19.175
  141    H    ASP  21           H        ASP  21   0.953  29.514  20.938
  142    HA   ASP  21           HA       ASP  21   2.298  30.791  23.198
  143   1HB   ASP  21          1HB       ASP  21  -0.068  31.160  22.225
  144   2HB   ASP  21          2HB       ASP  21  -0.513  29.687  23.086
  145    H    ASP  22           H        ASP  22   2.014  27.593  22.233
  146    HA   ASP  22           HA       ASP  22   2.224  25.535  23.377
  147   1HB   ASP  22          1HB       ASP  22   3.576  27.444  25.315
  148   2HB   ASP  22          2HB       ASP  22   3.836  25.700  25.243
  149    H    LEU  23           H        LEU  23  -0.302  26.525  23.733
  150    HA   LEU  23           HA       LEU  23  -1.310  27.167  26.246
  151   1HB   LEU  23          1HB       LEU  23  -2.395  25.139  24.262
  152   2HB   LEU  23          2HB       LEU  23  -3.344  26.004  25.470
  153    HG   LEU  23           HG       LEU  23  -1.916  27.156  23.063
  154   1HD1  LEU  23          1HD1      LEU  23  -4.789  27.198  24.036
  155   2HD1  LEU  23          2HD1      LEU  23  -4.199  28.055  22.613
  156   3HD1  LEU  23          3HD1      LEU  23  -4.167  26.292  22.656
  157   1HD2  LEU  23          1HD2      LEU  23  -3.191  28.622  25.395
  158   2HD2  LEU  23          2HD2      LEU  23  -1.465  28.580  25.028
  159   3HD2  LEU  23          3HD2      LEU  23  -2.584  29.375  23.920
  160    H    PHE  24           H        PHE  24  -0.373  23.936  25.068
  161    HA   PHE  24           HA       PHE  24  -1.236  22.288  27.144
  162   1HB   PHE  24          1HB       PHE  24   1.268  22.369  25.452
  163   2HB   PHE  24          2HB       PHE  24   0.961  21.041  26.572
  164    HD1  PHE  24           HD1      PHE  24  -1.212  19.729  26.346
  165    HD2  PHE  24           HD2      PHE  24   0.185  22.466  23.343
  166    HE1  PHE  24           HE1      PHE  24  -2.718  18.673  24.682
  167    HE2  PHE  24           HE2      PHE  24  -1.321  21.408  21.680
  168    HZ   PHE  24           HZ       PHE  24  -2.772  19.512  22.349
  169    H    GLU  25           H        GLU  25   1.237  24.736  27.197
  170    HA   GLU  25           HA       GLU  25   2.071  23.874  29.948
  171   1HB   GLU  25          1HB       GLU  25   3.430  24.774  27.566
  172   2HB   GLU  25          2HB       GLU  25   3.768  25.888  28.891
  173   1HG   GLU  25          1HG       GLU  25   3.990  22.881  29.175
  174   2HG   GLU  25          2HG       GLU  25   5.352  23.902  28.707
  175    H    LYS  26           H        LYS  26   1.182  26.721  27.980
  176    HA   LYS  26           HA       LYS  26   1.083  28.496  30.305
  177   1HB   LYS  26          1HB       LYS  26   1.066  28.623  27.435
  178   2HB   LYS  26          2HB       LYS  26  -0.317  29.531  28.047
  179   1HG   LYS  26          1HG       LYS  26   1.552  31.052  27.950
  180   2HG   LYS  26          2HG       LYS  26   1.267  30.681  29.650
  181   1HD   LYS  26          1HD       LYS  26   3.276  29.654  29.869
  182   2HD   LYS  26          2HD       LYS  26   3.091  28.787  28.345
  183   1HE   LYS  26          1HE       LYS  26   3.602  31.739  28.222
  184   2HE   LYS  26          2HE       LYS  26   4.961  30.664  28.599
  185   1HZ   LYS  26          1HZ       LYS  26   3.066  30.261  26.341
  186   2HZ   LYS  26          2HZ       LYS  26   4.601  30.970  26.178
  187   3HZ   LYS  26          3HZ       LYS  26   4.460  29.349  26.668
  188    H    ALA  27           H        ALA  27  -1.230  26.657  28.359
  189    HA   ALA  27           HA       ALA  27  -3.640  27.816  29.384
  190   1HB   ALA  27          1HB       ALA  27  -4.662  25.902  28.361
  191   2HB   ALA  27          2HB       ALA  27  -3.239  26.264  27.384
  192   3HB   ALA  27          3HB       ALA  27  -3.196  24.939  28.547
  193    H    ALA  28           H        ALA  28  -1.295  25.740  30.827
  194    HA   ALA  28           HA       ALA  28  -2.992  24.384  32.733
  195   1HB   ALA  28          1HB       ALA  28  -0.252  24.531  31.939
  196   2HB   ALA  28          3HB       ALA  28  -0.317  24.776  33.684
  197   3HB   ALA  28          2HB       ALA  28  -1.014  23.321  32.973
  198    H    ASP  29           H        ASP  29  -1.346  27.496  32.667
  199    HA   ASP  29           HA       ASP  29  -1.630  28.089  35.489
  200   1HB   ASP  29          1HB       ASP  29  -0.192  29.080  33.452
  201   2HB   ASP  29          2HB       ASP  29  -1.535  30.221  33.399
  202    H    ALA  30           H        ALA  30  -3.696  28.453  32.670
  203    HA   ALA  30           HA       ALA  30  -5.566  30.315  33.901
  204   1HB   ALA  30          1HB       ALA  30  -6.791  28.888  31.800
  205   2HB   ALA  30          3HB       ALA  30  -5.081  28.973  31.380
  206   3HB   ALA  30          2HB       ALA  30  -5.989  30.454  31.685
  207    H    GLY  31           H        GLY  31  -5.712  26.831  33.130
  208   1HA   GLY  31          2HA       GLY  31  -7.464  26.428  35.485
  209   2HA   GLY  31          1HA       GLY  31  -6.679  25.149  34.559
  210    H    LEU  32           H        LEU  32  -7.476  25.908  31.962
  211    HA   LEU  32           HA       LEU  32 -10.167  26.551  31.513
  212   1HB   LEU  32          1HB       LEU  32  -7.988  25.078  30.185
  213   2HB   LEU  32          2HB       LEU  32  -9.598  24.599  29.649
  214    HG   LEU  32           HG       LEU  32  -9.425  27.482  29.902
  215   1HD1  LEU  32          1HD1      LEU  32  -7.172  26.058  28.596
  216   2HD1  LEU  32          2HD1      LEU  32  -7.892  27.371  27.664
  217   3HD1  LEU  32          3HD1      LEU  32  -7.236  27.687  29.269
  218   1HD2  LEU  32          1HD2      LEU  32 -10.290  25.398  27.987
  219   2HD2  LEU  32          2HD2      LEU  32 -11.090  26.899  28.455
  220   3HD2  LEU  32          3HD2      LEU  32  -9.798  26.926  27.254
  221    H    ASP  33           H        ASP  33 -11.698  24.656  30.527
  222    HA   ASP  33           HA       ASP  33 -12.640  23.124  32.766
  223   1HB   ASP  33          1HB       ASP  33 -13.224  23.525  29.891
  224   2HB   ASP  33          2HB       ASP  33 -13.763  21.980  30.547
  225    H    GLY  34           H        GLY  34 -12.297  20.948  33.291
  226   1HA   GLY  34          2HA       GLY  34 -11.102  18.925  33.383
  227   2HA   GLY  34          1HA       GLY  34  -9.889  19.681  32.349
  228    H    GLU  35           H        GLU  35 -13.260  19.487  31.409
  229    HA   GLU  35           HA       GLU  35 -13.035  17.045  29.860
  230   1HB   GLU  35          1HB       GLU  35 -14.955  19.384  29.964
  231   2HB   GLU  35          2HB       GLU  35 -15.213  18.001  28.900
  232   1HG   GLU  35          1HG       GLU  35 -15.705  16.585  30.639
  233   2HG   GLU  35          2HG       GLU  35 -14.597  17.392  31.747
  234    H    ASP  36           H        ASP  36 -11.649  20.055  29.403
  235    HA   ASP  36           HA       ASP  36 -11.641  19.726  26.417
  236   1HB   ASP  36          1HB       ASP  36 -11.901  22.048  28.280
  237   2HB   ASP  36          2HB       ASP  36 -11.035  22.317  26.767
  238    H    TYR  37           H        TYR  37  -9.705  21.065  29.131
  239    HA   TYR  37           HA       TYR  37  -7.253  20.113  27.687
  240   1HB   TYR  37          1HB       TYR  37  -7.376  22.487  27.425
  241   2HB   TYR  37          2HB       TYR  37  -7.871  22.715  29.103
  242    HD1  TYR  37           HD1      TYR  37  -5.127  20.731  27.482
  243    HD2  TYR  37           HD2      TYR  37  -6.183  23.799  30.296
  244    HE1  TYR  37           HE1      TYR  37  -2.748  20.934  28.154
  245    HE2  TYR  37           HE2      TYR  37  -3.805  24.001  30.969
  246    HH   TYR  37           HH       TYR  37  -1.623  21.927  30.649
  247    H    GLY  38           H        GLY  38  -5.636  19.230  29.030
  248   1HA   GLY  38          2HA       GLY  38  -6.519  18.314  31.660
  249   2HA   GLY  38          1HA       GLY  38  -5.185  19.466  31.728
  250    H    THR  39           H        THR  39  -3.938  17.621  32.633
  251    HA   THR  39           HA       THR  39  -2.464  16.223  30.515
  252    HB   THR  39           HB       THR  39  -2.217  15.927  33.517
  253    HG1  THR  39           HG1      THR  39  -0.688  17.726  33.195
  254   1HG2  THR  39          1HG2      THR  39  -0.882  14.594  31.658
  255   2HG2  THR  39          2HG2      THR  39   0.051  16.088  31.571
  256   3HG2  THR  39          3HG2      THR  39  -0.058  15.203  33.093
  257    H    MET  40           H        MET  40  -3.137  14.258  29.749
  258    HA   MET  40           HA       MET  40  -5.057  12.643  31.321
  259   1HB   MET  40          1HB       MET  40  -4.723  13.264  28.659
  260   2HB   MET  40          2HB       MET  40  -4.030  11.644  28.743
  261   1HG   MET  40          1HG       MET  40  -6.590  12.031  30.194
  262   2HG   MET  40          2HG       MET  40  -6.685  12.107  28.434
  263   1HE   MET  40          1HE       MET  40  -6.676  10.677  27.011
  264   2HE   MET  40          2HE       MET  40  -5.260   9.633  26.928
  265   3HE   MET  40          3HE       MET  40  -6.864   8.934  27.191
  266    H    GLU  41           H        GLU  41  -4.619  10.217  31.405
  267    HA   GLU  41           HA       GLU  41  -1.703   9.573  31.571
  268   1HB   GLU  41          1HB       GLU  41  -2.268   8.463  33.784
  269   2HB   GLU  41          2HB       GLU  41  -2.389  10.222  33.795
  270   1HG   GLU  41          1HG       GLU  41  -4.868   9.908  33.233
  271   2HG   GLU  41          2HG       GLU  41  -4.636   8.205  33.630
  272    H    VAL  42           H        VAL  42  -1.375   7.733  30.391
  273    HA   VAL  42           HA       VAL  42  -3.483   5.608  30.439
  274    HB   VAL  42           HB       VAL  42  -2.025   6.701  28.008
  275   1HG1  VAL  42          1HG1      VAL  42  -3.021   4.172  28.367
  276   2HG1  VAL  42          2HG1      VAL  42  -4.422   5.008  27.697
  277   3HG1  VAL  42          3HG1      VAL  42  -2.901   4.981  26.805
  278   1HG2  VAL  42          1HG2      VAL  42  -4.607   7.342  29.311
  279   2HG2  VAL  42          2HG2      VAL  42  -3.611   8.328  28.240
  280   3HG2  VAL  42          3HG2      VAL  42  -4.683   7.101  27.566
  281    H    ALA  43           H        ALA  43  -2.418   3.871  31.329
  282    HA   ALA  43           HA       ALA  43   0.480   3.557  31.153
  283   1HB   ALA  43          1HB       ALA  43  -1.853   2.351  32.484
  284   2HB   ALA  43          3HB       ALA  43  -0.589   1.186  32.084
  285   3HB   ALA  43          2HB       ALA  43  -0.214   2.584  33.092
  286    H    GLU  44           H        GLU  44   1.593   1.928  29.961
  287    HA   GLU  44           HA       GLU  44   0.811   1.344  27.343
  288   1HB   GLU  44          1HB       GLU  44   3.064   1.052  28.394
  289   2HB   GLU  44          2HB       GLU  44   2.462  -0.390  29.211
  290   1HG   GLU  44          1HG       GLU  44   1.768  -1.134  26.788
  291   2HG   GLU  44          2HG       GLU  44   2.970   0.054  26.281
  292    H    GLY  45           H        GLY  45  -1.006   0.275  26.692
  293   1HA   GLY  45          2HA       GLY  45  -1.849  -2.127  28.266
  294   2HA   GLY  45          1HA       GLY  45  -1.954  -2.055  26.506
  295    H    GLU  46           H        GLU  46  -2.678   0.990  27.520
  296    HA   GLU  46           HA       GLU  46  -5.614   0.376  27.653
  297   1HB   GLU  46          1HB       GLU  46  -3.850   1.668  29.497
  298   2HB   GLU  46          2HB       GLU  46  -4.958   2.886  28.864
  299   1HG   GLU  46          1HG       GLU  46  -6.669   2.037  30.063
  300   2HG   GLU  46          2HG       GLU  46  -6.372   0.419  29.427
  301    H    TYR  47           H        TYR  47  -6.798   1.394  26.077
  302    HA   TYR  47           HA       TYR  47  -5.503   3.026  24.059
  303   1HB   TYR  47          2HB       TYR  47  -8.466   2.666  24.571
  304   2HB   TYR  47          1HB       TYR  47  -7.663   2.938  23.024
  305    HD1  TYR  47           HD1      TYR  47  -5.449   1.111  22.966
  306    HD2  TYR  47           HD2      TYR  47  -9.373   0.516  24.609
  307    HE1  TYR  47           HE1      TYR  47  -5.200  -1.338  22.674
  308    HE2  TYR  47           HE2      TYR  47  -9.124  -1.934  24.316
  309    HH   TYR  47           HH       TYR  47  -7.027  -3.349  22.375
  310    H    ILE  48           H        ILE  48  -5.576   5.263  23.816
  311    HA   ILE  48           HA       ILE  48  -5.811   6.985  26.024
  312    HB   ILE  48           HB       ILE  48  -6.324   7.563  23.089
  313   1HG1  ILE  48          1HG1      ILE  48  -3.668   8.072  24.274
  314   2HG1  ILE  48          2HG1      ILE  48  -4.100   6.366  24.152
  315   1HG2  ILE  48          1HG2      ILE  48  -6.721   9.297  25.089
  316   2HG2  ILE  48          2HG2      ILE  48  -4.971   9.465  24.949
  317   3HG2  ILE  48          3HG2      ILE  48  -6.004   9.798  23.558
  318   1HD1  ILE  48          1HD1      ILE  48  -4.785   6.876  21.732
  319   2HD1  ILE  48          2HD1      ILE  48  -3.944   8.413  21.932
  320   3HD1  ILE  48          3HD1      ILE  48  -3.055   6.896  22.077
  321    H    LEU  49           H        LEU  49  -8.198   6.895  23.344
  322    HA   LEU  49           HA       LEU  49 -10.245   8.391  24.419
  323   1HB   LEU  49          1HB       LEU  49 -10.439   7.461  22.237
  324   2HB   LEU  49          2HB       LEU  49 -10.252   5.814  22.839
  325    HG   LEU  49           HG       LEU  49 -12.506   7.278  24.042
  326   1HD1  LEU  49          1HD1      LEU  49 -12.126   7.605  21.272
  327   2HD1  LEU  49          2HD1      LEU  49 -13.342   6.338  21.430
  328   3HD1  LEU  49          3HD1      LEU  49 -13.607   7.912  22.180
  329   1HD2  LEU  49          1HD2      LEU  49 -11.759   4.715  23.976
  330   2HD2  LEU  49          2HD2      LEU  49 -13.461   5.172  24.055
  331   3HD2  LEU  49          3HD2      LEU  49 -12.740   4.722  22.510
  332    H    GLU  50           H        GLU  50  -9.251   5.177  25.467
  333    HA   GLU  50           HA       GLU  50 -11.630   4.642  27.059
  334   1HB   GLU  50          1HB       GLU  50 -10.000   2.972  26.081
  335   2HB   GLU  50          2HB       GLU  50  -8.827   3.503  27.286
  336   1HG   GLU  50          1HG       GLU  50 -10.400   2.882  29.089
  337   2HG   GLU  50          2HG       GLU  50 -11.568   2.346  27.882
  338    H    ALA  51           H        ALA  51  -8.247   5.412  27.983
  339    HA   ALA  51           HA       ALA  51  -8.779   5.882  30.744
  340   1HB   ALA  51          1HB       ALA  51  -6.611   7.347  30.363
  341   2HB   ALA  51          3HB       ALA  51  -6.671   6.648  28.745
  342   3HB   ALA  51          2HB       ALA  51  -6.533   5.598  30.155
  343    H    ALA  52           H        ALA  52  -9.052   7.950  27.907
  344    HA   ALA  52           HA       ALA  52  -9.481  10.404  29.443
  345   1HB   ALA  52          1HB       ALA  52  -9.228   9.501  26.657
  346   2HB   ALA  52          3HB       ALA  52 -10.386  10.814  26.864
  347   3HB   ALA  52          2HB       ALA  52  -8.715  11.021  27.389
  348    H    GLU  53           H        GLU  53 -11.491   8.100  27.648
  349    HA   GLU  53           HA       GLU  53 -13.994   9.448  27.964
  350   1HB   GLU  53          1HB       GLU  53 -13.726   7.682  26.359
  351   2HB   GLU  53          2HB       GLU  53 -13.161   6.560  27.596
  352   1HG   GLU  53          2HG       GLU  53 -15.458   6.002  27.131
  353   2HG   GLU  53          1HG       GLU  53 -15.428   6.799  28.704
  354    H    ALA  54           H        ALA  54 -12.168   7.292  30.065
  355    HA   ALA  54           HA       ALA  54 -14.304   6.810  31.972
  356   1HB   ALA  54          1HB       ALA  54 -11.288   6.556  31.962
  357   2HB   ALA  54          3HB       ALA  54 -12.259   6.103  33.362
  358   3HB   ALA  54          2HB       ALA  54 -12.483   5.266  31.827
  359    H    GLN  55           H        GLN  55 -12.325   9.509  31.286
  360    HA   GLN  55           HA       GLN  55 -12.508  10.593  34.053
  361   1HB   GLN  55          1HB       GLN  55 -11.005  11.220  31.520
  362   2HB   GLN  55          2HB       GLN  55 -11.130  12.439  32.789
  363   1HG   GLN  55          1HG       GLN  55 -10.352   9.676  33.609
  364   2HG   GLN  55          2HG       GLN  55  -9.145  10.640  32.756
  365   2HE2  GLN  55          2HE2      GLN  55  -8.229  10.299  35.174
  366   1HE2  GLN  55          1HE2      GLN  55  -8.581  11.569  36.244
  367    H    GLY  56           H        GLY  56 -13.919  10.925  30.872
  368   1HA   GLY  56          2HA       GLY  56 -15.436  13.321  31.825
  369   2HA   GLY  56          1HA       GLY  56 -16.240  11.983  31.004
  370    H    TYR  57           H        TYR  57 -13.202  12.340  29.666
  371    HA   TYR  57           HA       TYR  57 -13.602  14.585  27.895
  372   1HB   TYR  57          2HB       TYR  57 -11.871  12.120  27.534
  373   2HB   TYR  57          1HB       TYR  57 -11.597  13.717  26.840
  374    HD1  TYR  57           HD1      TYR  57 -12.741  14.897  29.682
  375    HD2  TYR  57           HD2      TYR  57  -9.502  12.359  28.445
  376    HE1  TYR  57           HE1      TYR  57 -11.459  15.549  31.702
  377    HE2  TYR  57           HE2      TYR  57  -8.220  13.014  30.464
  378    HH   TYR  57           HH       TYR  57  -8.142  14.374  32.228
  379    H    ASP  58           H        ASP  58 -14.685  14.653  25.945
  380    HA   ASP  58           HA       ASP  58 -15.928  12.109  24.973
  381   1HB   ASP  58          1HB       ASP  58 -16.687  14.978  25.153
  382   2HB   ASP  58          2HB       ASP  58 -17.256  14.116  23.723
  383    H    TRP  59           H        TRP  59 -15.697  11.535  22.779
  384    HA   TRP  59           HA       TRP  59 -13.944  13.286  21.092
  385   1HB   TRP  59          1HB       TRP  59 -13.767  10.270  21.381
  386   2HB   TRP  59          2HB       TRP  59 -12.659  11.311  20.487
  387    HD1  TRP  59           HD1      TRP  59 -13.943  10.888  24.109
  388    HE1  TRP  59           HE1      TRP  59 -12.023  11.495  25.718
  389    HE3  TRP  59           HE3      TRP  59 -10.379  12.301  20.737
  390    HZ2  TRP  59           HZ2      TRP  59  -9.334  12.452  25.592
  391    HZ3  TRP  59           HZ3      TRP  59  -8.146  13.053  21.509
  392    HH2  TRP  59           HH2      TRP  59  -7.620  13.128  23.931
  393    HA   PRO  60           HA       PRO  60 -17.111  12.490  18.129
  394   1HB   PRO  60          1HB       PRO  60 -15.767  13.304  15.889
  395   2HB   PRO  60          2HB       PRO  60 -16.422  14.434  17.089
  396   1HG   PRO  60          2HG       PRO  60 -13.629  13.480  16.704
  397   2HG   PRO  60          1HG       PRO  60 -14.218  15.084  17.158
  398   1HD   PRO  60          1HD       PRO  60 -13.178  13.266  18.930
  399   2HD   PRO  60          2HD       PRO  60 -14.324  14.545  19.378
  400    H    PHE  61           H        PHE  61 -17.556  11.007  16.347
  401    HA   PHE  61           HA       PHE  61 -15.384   9.022  15.777
  402   1HB   PHE  61          1HB       PHE  61 -17.137   7.264  16.078
  403   2HB   PHE  61          2HB       PHE  61 -16.852   8.183  17.556
  404    HD1  PHE  61           HD1      PHE  61 -18.406  10.124  18.108
  405    HD2  PHE  61           HD2      PHE  61 -19.278   7.234  15.052
  406    HE1  PHE  61           HE1      PHE  61 -20.795  10.791  18.159
  407    HE2  PHE  61           HE2      PHE  61 -21.666   7.900  15.103
  408    HZ   PHE  61           HZ       PHE  61 -22.425   9.678  16.657
  409    H    SER  62           H        SER  62 -15.082   9.443  13.591
  410    HA   SER  62           HA       SER  62 -17.432   9.957  11.853
  411   1HB   SER  62          1HB       SER  62 -15.575  11.417  11.540
  412   2HB   SER  62          2HB       SER  62 -14.424  10.081  11.571
  413    HG   SER  62           HG       SER  62 -15.024  10.977   9.445
  414    H    CYS  63           H        CYS  63 -15.935   7.239  13.007
  415    HA   CYS  63           HA       CYS  63 -15.525   5.667  10.623
  416   1HB   CYS  63          2HB       CYS  63 -16.290   4.748  13.410
  417   2HB   CYS  63          1HB       CYS  63 -15.369   3.846  12.207
  418    H    ARG  64           H        ARG  64 -16.976   3.453  10.652
  419    HA   ARG  64           HA       ARG  64 -19.865   4.219  10.794
  420   1HB   ARG  64          1HB       ARG  64 -18.959   4.560   8.504
  421   2HB   ARG  64          2HB       ARG  64 -18.425   2.879   8.479
  422   1HG   ARG  64          1HG       ARG  64 -20.521   2.100   8.075
  423   2HG   ARG  64          2HG       ARG  64 -21.254   3.221   9.223
  424   1HD   ARG  64          1HD       ARG  64 -21.459   4.925   7.621
  425   2HD   ARG  64          2HD       ARG  64 -20.172   4.250   6.602
  426    HE   ARG  64           HE       ARG  64 -22.520   2.506   6.979
  427   1HH1  ARG  64          1HH1      ARG  64 -20.503   2.600   4.654
  428   2HH1  ARG  64          2HH1      ARG  64 -21.509   3.218   3.386
  429   1HH2  ARG  64          1HH2      ARG  64 -24.009   4.296   5.534
  430   2HH2  ARG  64          2HH2      ARG  64 -23.494   4.179   3.885
  431    H    ALA  65           H        ALA  65 -18.881   2.707  12.788
  432    HA   ALA  65           HA       ALA  65 -19.236   0.637  13.876
  433   1HB   ALA  65          1HB       ALA  65 -21.108   0.858  11.680
  434   2HB   ALA  65          3HB       ALA  65 -20.626  -0.825  11.892
  435   3HB   ALA  65          2HB       ALA  65 -21.328   0.067  13.241
  436    H    GLY  66           H        GLY  66 -19.057  -1.929  13.121
  437   1HA   GLY  66          2HA       GLY  66 -17.372  -2.633  10.965
  438   2HA   GLY  66          1HA       GLY  66 -17.509  -3.563  12.457
  439    H    ALA  67           H        ALA  67 -15.044  -3.483  11.294
  440    HA   ALA  67           HA       ALA  67 -13.243  -2.739  13.265
  441   1HB   ALA  67          1HB       ALA  67 -12.431  -2.281  10.436
  442   2HB   ALA  67          3HB       ALA  67 -13.119  -3.859  10.813
  443   3HB   ALA  67          2HB       ALA  67 -11.681  -3.297  11.666
  444    H    CYS  68           H        CYS  68 -13.415  -0.711  14.246
  445    HA   CYS  68           HA       CYS  68 -14.093   1.754  13.070
  446   1HB   CYS  68          1HB       CYS  68 -13.052   0.722  15.517
  447   2HB   CYS  68          2HB       CYS  68 -12.063   2.112  15.069
  448    H    ALA  69           H        ALA  69 -13.098   2.543  11.229
  449    HA   ALA  69           HA       ALA  69 -10.438   1.961  10.384
  450   1HB   ALA  69          1HB       ALA  69 -11.824   2.775   8.713
  451   2HB   ALA  69          3HB       ALA  69 -12.581   3.959   9.780
  452   3HB   ALA  69          2HB       ALA  69 -10.970   4.262   9.128
  453    H    ASN  70           H        ASN  70 -11.168   5.359  10.826
  454    HA   ASN  70           HA       ASN  70  -8.961   5.566  12.848
  455   1HB   ASN  70          1HB       ASN  70  -8.664   6.155  10.243
  456   2HB   ASN  70          2HB       ASN  70  -9.360   7.684  10.781
  457   2HD2  ASN  70          2HD2      ASN  70  -7.961   9.130  11.843
  458   1HD2  ASN  70          1HD2      ASN  70  -6.391   8.739  12.354
  459    H    CYS  71           H        CYS  71  -9.132   7.504  14.209
  460    HA   CYS  71           HA       CYS  71 -11.956   8.345  14.604
  461   1HB   CYS  71          1HB       CYS  71  -9.873   7.560  16.257
  462   2HB   CYS  71          2HB       CYS  71  -9.890   9.312  16.454
  463    H    ALA  72           H        ALA  72 -10.916  10.810  16.032
  464    HA   ALA  72           HA       ALA  72  -9.938  12.445  13.740
  465   1HB   ALA  72          1HB       ALA  72 -12.457  13.022  15.329
  466   2HB   ALA  72          3HB       ALA  72 -12.436  12.331  13.707
  467   3HB   ALA  72          2HB       ALA  72 -11.836  13.967  13.976
  468    H    SER  73           H        SER  73  -8.016  12.798  15.012
  469    HA   SER  73           HA       SER  73  -8.405  14.767  17.225
  470   1HB   SER  73          2HB       SER  73  -6.732  13.509  18.553
  471   2HB   SER  73          1HB       SER  73  -8.132  12.502  18.184
  472    HG   SER  73           HG       SER  73  -6.989  11.395  16.726
  473    H    ILE  74           H        ILE  74  -5.916  15.467  17.832
  474    HA   ILE  74           HA       ILE  74  -4.277  15.656  15.360
  475    HB   ILE  74           HB       ILE  74  -5.304  18.034  16.947
  476   1HG1  ILE  74          1HG1      ILE  74  -7.050  16.952  15.541
  477   2HG1  ILE  74          2HG1      ILE  74  -6.621  18.556  14.952
  478   1HG2  ILE  74          1HG2      ILE  74  -2.964  18.019  15.740
  479   2HG2  ILE  74          2HG2      ILE  74  -3.937  18.173  14.277
  480   3HG2  ILE  74          3HG2      ILE  74  -4.043  19.400  15.540
  481   1HD1  ILE  74          1HD1      ILE  74  -5.242  16.096  13.873
  482   2HD1  ILE  74          2HD1      ILE  74  -6.787  16.635  13.216
  483   3HD1  ILE  74          3HD1      ILE  74  -5.380  17.695  13.141
  484    H    VAL  75           H        VAL  75  -2.747  14.378  16.606
  485    HA   VAL  75           HA       VAL  75  -1.793  14.957  19.211
  486    HB   VAL  75           HB       VAL  75  -1.376  12.953  17.700
  487   1HG1  VAL  75          1HG1      VAL  75  -0.665  14.435  15.757
  488   2HG1  VAL  75          2HG1      VAL  75   0.858  14.681  16.613
  489   3HG1  VAL  75          3HG1      VAL  75   0.395  13.064  16.085
  490   1HG2  VAL  75          1HG2      VAL  75   0.449  14.281  19.553
  491   2HG2  VAL  75          2HG2      VAL  75   0.028  12.572  19.431
  492   3HG2  VAL  75          3HG2      VAL  75   1.304  13.241  18.414
  493    H    LYS  76           H        LYS  76  -0.711  16.749  19.956
  494    HA   LYS  76           HA       LYS  76   0.453  18.659  18.014
  495   1HB   LYS  76          1HB       LYS  76  -1.013  18.931  20.282
  496   2HB   LYS  76          2HB       LYS  76   0.612  19.075  20.954
  497   1HG   LYS  76          2HG       LYS  76   0.386  21.266  20.347
  498   2HG   LYS  76          1HG       LYS  76   0.845  20.663  18.755
  499   1HD   LYS  76          1HD       LYS  76  -1.990  20.269  19.207
  500   2HD   LYS  76          2HD       LYS  76  -1.558  21.963  19.442
  501   1HE   LYS  76          1HE       LYS  76  -0.271  21.782  17.219
  502   2HE   LYS  76          2HE       LYS  76  -1.139  20.255  16.975
  503   1HZ   LYS  76          1HZ       LYS  76  -3.084  21.912  17.852
  504   2HZ   LYS  76          2HZ       LYS  76  -2.136  22.970  16.921
  505   3HZ   LYS  76          3HZ       LYS  76  -2.783  21.566  16.217
  506    H    GLU  77           H        GLU  77   1.496  16.008  19.854
  507    HA   GLU  77           HA       GLU  77   4.250  16.289  19.133
  508   1HB   GLU  77          1HB       GLU  77   3.543  18.092  21.042
  509   2HB   GLU  77          2HB       GLU  77   4.024  16.734  22.060
  510   1HG   GLU  77          1HG       GLU  77   6.189  17.214  21.684
  511   2HG   GLU  77          2HG       GLU  77   5.940  16.989  19.952
  512    H    GLY  78           H        GLY  78   5.634  14.694  20.496
  513   1HA   GLY  78          2HA       GLY  78   4.256  12.709  22.097
  514   2HA   GLY  78          1HA       GLY  78   5.912  12.585  21.505
  515    H    GLU  79           H        GLU  79   4.547  10.282  21.370
  516    HA   GLU  79           HA       GLU  79   3.404  10.084  18.614
  517   1HB   GLU  79          1HB       GLU  79   5.714   9.576  18.317
  518   2HB   GLU  79          2HB       GLU  79   5.778   8.646  19.815
  519   1HG   GLU  79          1HG       GLU  79   4.620   6.829  18.887
  520   2HG   GLU  79          2HG       GLU  79   3.927   7.807  17.595
  521    H    ILE  80           H        ILE  80   2.103   8.146  18.319
  522    HA   ILE  80           HA       ILE  80   1.299   6.829  20.894
  523    HB   ILE  80           HB       ILE  80  -0.356   7.598  18.467
  524   1HG1  ILE  80          1HG1      ILE  80  -1.042   8.762  21.061
  525   2HG1  ILE  80          2HG1      ILE  80   0.581   9.209  20.532
  526   1HG2  ILE  80          1HG2      ILE  80  -1.004   5.513  19.860
  527   2HG2  ILE  80          2HG2      ILE  80  -1.376   6.660  21.147
  528   3HG2  ILE  80          3HG2      ILE  80  -2.242   6.744  19.613
  529   1HD1  ILE  80          1HD1      ILE  80  -0.413   9.833  18.296
  530   2HD1  ILE  80          2HD1      ILE  80  -2.009   9.581  19.003
  531   3HD1  ILE  80          3HD1      ILE  80  -0.955  10.845  19.635
  532    H    ASP  81           H        ASP  81   0.728   4.576  20.711
  533    HA   ASP  81           HA       ASP  81   1.930   3.241  18.325
  534   1HB   ASP  81          1HB       ASP  81   2.161   2.926  21.098
  535   2HB   ASP  81          2HB       ASP  81   1.172   1.560  20.582
  536    H    MET  82           H        MET  82   0.731   1.699  17.155
  537    HA   MET  82           HA       MET  82  -2.106   1.233  17.960
  538   1HB   MET  82          1HB       MET  82  -2.769   1.787  15.627
  539   2HB   MET  82          2HB       MET  82  -2.015   3.163  16.431
  540   1HG   MET  82          1HG       MET  82   0.094   2.734  15.320
  541   2HG   MET  82          2HG       MET  82  -0.518   1.222  14.647
  542   1HE   MET  82          1HE       MET  82  -2.209   0.864  13.362
  543   2HE   MET  82          2HE       MET  82  -3.484   2.014  12.963
  544   3HE   MET  82          3HE       MET  82  -2.221   1.665  11.786
  545    H    ASP  83           H        ASP  83  -3.018  -0.414  16.129
  546    HA   ASP  83           HA       ASP  83  -1.356  -2.795  16.324
  547   1HB   ASP  83          1HB       ASP  83  -4.000  -2.020  15.106
  548   2HB   ASP  83          2HB       ASP  83  -3.313  -3.614  14.791
  549    H    MET  84           H        MET  84  -0.424  -3.956  14.532
  550    HA   MET  84           HA       MET  84   0.860  -2.343  12.530
  551   1HB   MET  84          1HB       MET  84   0.862  -5.024  13.549
  552   2HB   MET  84          2HB       MET  84   0.780  -5.100  11.788
  553   1HG   MET  84          2HG       MET  84   3.038  -4.826  11.899
  554   2HG   MET  84          1HG       MET  84   2.642  -3.126  12.150
  555   1HE   MET  84          1HE       MET  84   5.062  -4.207  12.609
  556   2HE   MET  84          2HE       MET  84   5.405  -3.135  13.973
  557   3HE   MET  84          3HE       MET  84   5.567  -4.879  14.158
  558    H    GLN  85           H        GLN  85  -0.644  -1.274  11.181
  559    HA   GLN  85           HA       GLN  85  -1.971  -2.963   9.157
  560   1HB   GLN  85          1HB       GLN  85  -3.451  -2.664  11.258
  561   2HB   GLN  85          2HB       GLN  85  -3.608  -0.982  10.750
  562   1HG   GLN  85          1HG       GLN  85  -4.411  -1.782   8.518
  563   2HG   GLN  85          2HG       GLN  85  -4.368  -3.434   9.134
  564   2HE2  GLN  85          2HE2      GLN  85  -6.804  -2.044   8.273
  565   1HE2  GLN  85          1HE2      GLN  85  -7.808  -1.911   9.634
  566    H    GLN  86           H        GLN  86  -2.868  -1.577   7.382
  567    HA   GLN  86           HA       GLN  86  -1.292   0.951   7.132
  568   1HB   GLN  86          1HB       GLN  86  -2.657  -0.857   5.110
  569   2HB   GLN  86          2HB       GLN  86  -1.695   0.565   4.704
  570   1HG   GLN  86          1HG       GLN  86   0.264  -0.526   5.058
  571   2HG   GLN  86          2HG       GLN  86  -0.332  -1.299   6.526
  572   2HE2  GLN  86          2HE2      GLN  86  -1.874  -3.210   6.143
  573   1HE2  GLN  86          1HE2      GLN  86  -1.612  -4.175   4.770
  574    H    ILE  87           H        ILE  87  -2.491   2.747   7.631
  575    HA   ILE  87           HA       ILE  87  -5.174   3.046   6.399
  576    HB   ILE  87           HB       ILE  87  -5.240   1.963   8.744
  577   1HG1  ILE  87          1HG1      ILE  87  -6.846   4.334   9.139
  578   2HG1  ILE  87          2HG1      ILE  87  -6.906   3.834   7.449
  579   1HG2  ILE  87          1HG2      ILE  87  -3.470   3.705   9.542
  580   2HG2  ILE  87          2HG2      ILE  87  -4.850   4.791   9.705
  581   3HG2  ILE  87          3HG2      ILE  87  -4.793   3.292  10.632
  582   1HD1  ILE  87          1HD1      ILE  87  -7.087   1.436   8.858
  583   2HD1  ILE  87          2HD1      ILE  87  -8.073   2.552   9.801
  584   3HD1  ILE  87          3HD1      ILE  87  -8.428   2.290   8.093
  585    H    LEU  88           H        LEU  88  -5.808   5.291   6.247
  586    HA   LEU  88           HA       LEU  88  -5.347   7.588   5.921
  587   1HB   LEU  88          1HB       LEU  88  -5.010   6.855   8.560
  588   2HB   LEU  88          2HB       LEU  88  -3.487   7.671   8.203
  589    HG   LEU  88           HG       LEU  88  -4.791   9.598   7.284
  590   1HD1  LEU  88          1HD1      LEU  88  -6.909   7.713   7.435
  591   2HD1  LEU  88          2HD1      LEU  88  -7.290   8.999   8.580
  592   3HD1  LEU  88          3HD1      LEU  88  -6.996   9.386   6.885
  593   1HD2  LEU  88          1HD2      LEU  88  -4.894   8.672  10.109
  594   2HD2  LEU  88          2HD2      LEU  88  -4.194  10.143   9.432
  595   3HD2  LEU  88          3HD2      LEU  88  -5.935  10.034   9.691
  596    H    SER  89           H        SER  89  -3.213   9.170   6.068
  597    HA   SER  89           HA       SER  89  -0.977   7.675   4.734
  598   1HB   SER  89          1HB       SER  89  -2.503   9.040   3.251
  599   2HB   SER  89          2HB       SER  89  -1.983  10.474   4.136
  600    HG   SER  89           HG       SER  89  -0.636  10.317   2.417
  601    H    ASP  90           H        ASP  90   1.154   8.563   5.122
  602    HA   ASP  90           HA       ASP  90   1.711   9.468   7.740
  603   1HB   ASP  90          1HB       ASP  90   3.188   9.634   5.104
  604   2HB   ASP  90          2HB       ASP  90   3.932  10.114   6.629
  605    H    GLU  91           H        GLU  91   1.270  11.323   4.743
  606    HA   GLU  91           HA       GLU  91   1.999  13.898   5.667
  607   1HB   GLU  91          1HB       GLU  91   0.512  12.641   3.493
  608   2HB   GLU  91          2HB       GLU  91  -0.167  14.211   3.921
  609   1HG   GLU  91          1HG       GLU  91   2.503  14.776   3.967
  610   2HG   GLU  91          2HG       GLU  91   2.444  13.553   2.697
  611    H    GLU  92           H        GLU  92  -1.010  12.074   6.061
  612    HA   GLU  92           HA       GLU  92  -2.546  14.275   7.170
  613   1HB   GLU  92          1HB       GLU  92  -2.759  11.319   6.814
  614   2HB   GLU  92          2HB       GLU  92  -3.815  12.059   8.017
  615   1HG   GLU  92          1HG       GLU  92  -3.952  13.778   5.811
  616   2HG   GLU  92          2HG       GLU  92  -3.987  12.158   5.115
  617    H    VAL  93           H        VAL  93  -0.498  11.717   8.532
  618    HA   VAL  93           HA       VAL  93  -1.231  12.323  11.302
  619    HB   VAL  93           HB       VAL  93   0.940  10.675   9.969
  620   1HG1  VAL  93          1HG1      VAL  93   1.250  11.608  12.442
  621   2HG1  VAL  93          2HG1      VAL  93   0.129  10.302  12.827
  622   3HG1  VAL  93          3HG1      VAL  93   1.668   9.941  12.044
  623   1HG2  VAL  93          1HG2      VAL  93  -1.434   9.948   9.656
  624   2HG2  VAL  93          2HG2      VAL  93  -0.480   8.787  10.579
  625   3HG2  VAL  93          3HG2      VAL  93  -1.604   9.863  11.409
  626    H    GLU  94           H        GLU  94   1.243  13.337   9.020
  627    HA   GLU  94           HA       GLU  94   2.867  14.638  11.122
  628   1HB   GLU  94          1HB       GLU  94   3.305  13.511   8.611
  629   2HB   GLU  94          2HB       GLU  94   3.461  15.244   8.322
  630   1HG   GLU  94          1HG       GLU  94   5.425  15.340   9.433
  631   2HG   GLU  94          2HG       GLU  94   4.773  14.433  10.798
  632    H    GLU  95           H        GLU  95   0.764  15.570   8.393
  633    HA   GLU  95           HA       GLU  95   1.085  18.441   9.024
  634   1HB   GLU  95          1HB       GLU  95   0.709  17.003   6.739
  635   2HB   GLU  95          2HB       GLU  95  -0.951  17.488   7.087
  636   1HG   GLU  95          1HG       GLU  95   0.015  19.859   7.430
  637   2HG   GLU  95          2HG       GLU  95   1.460  19.249   6.624
  638    H    LYS  96           H        LYS  96  -1.594  16.054   8.916
  639    HA   LYS  96           HA       LYS  96  -3.436  17.921  10.241
  640   1HB   LYS  96          1HB       LYS  96  -3.580  15.677   8.578
  641   2HB   LYS  96          2HB       LYS  96  -4.209  15.108  10.124
  642   1HG   LYS  96          2HG       LYS  96  -6.023  16.049   8.748
  643   2HG   LYS  96          1HG       LYS  96  -5.767  17.033  10.190
  644   1HD   LYS  96          1HD       LYS  96  -4.544  18.687   8.942
  645   2HD   LYS  96          2HD       LYS  96  -4.475  17.647   7.519
  646   1HE   LYS  96          1HE       LYS  96  -6.473  18.448   6.808
  647   2HE   LYS  96          2HE       LYS  96  -7.231  17.993   8.348
  648   1HZ   LYS  96          1HZ       LYS  96  -6.108  19.996   9.317
  649   2HZ   LYS  96          2HZ       LYS  96  -5.704  20.469   7.737
  650   3HZ   LYS  96          3HZ       LYS  96  -7.334  20.351   8.196
  651    H    ASP  97           H        ASP  97  -1.230  15.385  11.175
  652    HA   ASP  97           HA       ASP  97  -0.600  14.631  13.329
  653   1HB   ASP  97          2HB       ASP  97  -2.463  16.759  14.393
  654   2HB   ASP  97          1HB       ASP  97  -0.951  16.179  15.090
  655    H    VAL  98           H        VAL  98  -3.319  13.924  11.929
  656    HA   VAL  98           HA       VAL  98  -5.060  13.259  14.187
  657    HB   VAL  98           HB       VAL  98  -6.450  12.289  12.406
  658   1HG1  VAL  98          1HG1      VAL  98  -5.183  14.966  12.115
  659   2HG1  VAL  98          2HG1      VAL  98  -6.133  14.390  10.746
  660   3HG1  VAL  98          3HG1      VAL  98  -6.880  14.543  12.335
  661   1HG2  VAL  98          1HG2      VAL  98  -4.405  11.309  11.208
  662   2HG2  VAL  98          2HG2      VAL  98  -5.669  11.984  10.178
  663   3HG2  VAL  98          3HG2      VAL  98  -4.197  12.905  10.488
  664    H    ARG  99           H        ARG  99  -5.627  11.024  14.747
  665    HA   ARG  99           HA       ARG  99  -4.165   8.741  13.763
  666   1HB   ARG  99          1HB       ARG  99  -2.389  10.118  14.927
  667   2HB   ARG  99          2HB       ARG  99  -3.273   9.873  16.433
  668   1HG   ARG  99          1HG       ARG  99  -2.144   7.935  16.675
  669   2HG   ARG  99          2HG       ARG  99  -3.056   7.315  15.298
  670   1HD   ARG  99          1HD       ARG  99  -1.318   7.741  13.790
  671   2HD   ARG  99          2HD       ARG  99  -0.614   9.010  14.809
  672    HE   ARG  99           HE       ARG  99  -0.654   6.361  16.068
  673   1HH1  ARG  99          1HH1      ARG  99   1.202   9.024  15.302
  674   2HH1  ARG  99          2HH1      ARG  99   2.683   8.157  15.064
  675   1HH2  ARG  99          1HH2      ARG  99   1.188   5.033  15.224
  676   2HH2  ARG  99          2HH2      ARG  99   2.674   5.897  15.019
  677    H    LEU 100           H        LEU 100  -5.654   7.151  14.161
  678    HA   LEU 100           HA       LEU 100  -7.934   7.228  15.713
  679   1HB   LEU 100          1HB       LEU 100  -7.683   4.726  15.777
  680   2HB   LEU 100          2HB       LEU 100  -7.369   5.416  14.185
  681    HG   LEU 100           HG       LEU 100  -4.901   5.491  15.547
  682   1HD1  LEU 100          1HD1      LEU 100  -6.533   3.471  16.677
  683   2HD1  LEU 100          2HD1      LEU 100  -5.389   2.649  15.616
  684   3HD1  LEU 100          3HD1      LEU 100  -4.799   3.697  16.906
  685   1HD2  LEU 100          1HD2      LEU 100  -5.617   4.990  13.085
  686   2HD2  LEU 100          2HD2      LEU 100  -4.171   4.207  13.720
  687   3HD2  LEU 100          3HD2      LEU 100  -5.688   3.311  13.621
  688    H    THR 101           H        THR 101  -8.409   7.127  17.895
  689    HA   THR 101           HA       THR 101  -6.131   6.596  19.778
  690    HB   THR 101           HB       THR 101  -7.400   8.278  21.231
  691    HG1  THR 101           HG1      THR 101  -8.708   9.681  19.758
  692   1HG2  THR 101          1HG2      THR 101  -5.366   8.754  19.759
  693   2HG2  THR 101          2HG2      THR 101  -6.500   9.407  18.576
  694   3HG2  THR 101          3HG2      THR 101  -6.366  10.146  20.172
  695    H    CYS 102           H        CYS 102  -9.203   5.617  18.731
  696    HA   CYS 102           HA       CYS 102 -10.445   4.803  21.182
  697   1HB   CYS 102          1HB       CYS 102 -10.604   4.073  18.269
  698   2HB   CYS 102          2HB       CYS 102 -11.525   3.139  19.449
  699    H    ILE 103           H        ILE 103  -8.343   3.018  18.895
  700    HA   ILE 103           HA       ILE 103  -7.899   0.986  21.061
  701    HB   ILE 103           HB       ILE 103  -7.812   0.585  18.057
  702   1HG1  ILE 103          1HG1      ILE 103 -10.064   0.236  20.046
  703   2HG1  ILE 103          2HG1      ILE 103 -10.072   1.188  18.561
  704   1HG2  ILE 103          1HG2      ILE 103  -6.875  -0.980  20.161
  705   2HG2  ILE 103          2HG2      ILE 103  -8.449  -1.682  19.788
  706   3HG2  ILE 103          3HG2      ILE 103  -7.223  -1.547  18.528
  707   1HD1  ILE 103          1HD1      ILE 103  -9.450  -1.215  17.517
  708   2HD1  ILE 103          2HD1      ILE 103 -10.355  -1.755  18.932
  709   3HD1  ILE 103          3HD1      ILE 103 -11.118  -0.692  17.749
  710    H    GLY 104           H        GLY 104  -6.255   3.260  20.953
  711   1HA   GLY 104          2HA       GLY 104  -4.059   3.631  19.516
  712   2HA   GLY 104          1HA       GLY 104  -3.686   2.019  20.123
  713    H    SER 105           H        SER 105  -1.957   2.613  21.461
  714    HA   SER 105           HA       SER 105  -2.674   4.354  23.798
  715   1HB   SER 105          1HB       SER 105  -0.827   2.877  24.870
  716   2HB   SER 105          2HB       SER 105  -2.385   2.121  24.538
  717    HG   SER 105           HG       SER 105  -1.043   0.747  23.603
  718    HA   PRO 106           HA       PRO 106   0.697   6.954  22.698
  719   1HB   PRO 106          1HB       PRO 106   1.471   7.841  25.171
  720   2HB   PRO 106          2HB       PRO 106  -0.013   8.388  24.366
  721   1HG   PRO 106          1HG       PRO 106   0.344   6.352  26.515
  722   2HG   PRO 106          2HG       PRO 106  -0.928   7.565  26.314
  723   1HD   PRO 106          1HD       PRO 106  -1.240   4.928  25.680
  724   2HD   PRO 106          2HD       PRO 106  -2.135   6.239  24.884
  725    H    ALA 107           H        ALA 107   3.019   6.946  22.639
  726    HA   ALA 107           HA       ALA 107   4.286   4.577  23.979
  727   1HB   ALA 107          1HB       ALA 107   4.083   5.454  21.265
  728   2HB   ALA 107          3HB       ALA 107   5.777   5.565  21.742
  729   3HB   ALA 107          2HB       ALA 107   4.921   4.029  21.883
  730    H    ALA 108           H        ALA 108   4.390   8.021  23.519
  731    HA   ALA 108           HA       ALA 108   7.150   8.222  24.612
  732   1HB   ALA 108          1HB       ALA 108   6.816   9.661  22.788
  733   2HB   ALA 108          3HB       ALA 108   6.511  10.732  24.156
  734   3HB   ALA 108          2HB       ALA 108   5.159  10.032  23.265
  735    H    ASP 109           H        ASP 109   7.483   9.791  26.439
  736    HA   ASP 109           HA       ASP 109   5.768   9.225  28.678
  737   1HB   ASP 109          1HB       ASP 109   8.123  10.944  28.028
  738   2HB   ASP 109          2HB       ASP 109   7.233  11.319  29.504
  739    H    GLU 110           H        GLU 110   6.523  12.501  27.469
  740    HA   GLU 110           HA       GLU 110   3.773  13.349  28.235
  741   1HB   GLU 110          1HB       GLU 110   6.280  14.389  28.660
  742   2HB   GLU 110          2HB       GLU 110   5.745  15.320  27.262
  743   1HG   GLU 110          1HG       GLU 110   3.554  15.116  29.095
  744   2HG   GLU 110          2HG       GLU 110   4.975  15.651  29.990
  745    H    VAL 111           H        VAL 111   2.477  12.768  26.451
  746    HA   VAL 111           HA       VAL 111   3.353  13.709  23.750
  747    HB   VAL 111           HB       VAL 111   1.234  11.743  24.680
  748   1HG1  VAL 111          1HG1      VAL 111   0.632  12.864  22.555
  749   2HG1  VAL 111          2HG1      VAL 111   2.199  12.416  21.883
  750   3HG1  VAL 111          3HG1      VAL 111   1.026  11.165  22.296
  751   1HG2  VAL 111          1HG2      VAL 111   4.010  11.470  24.493
  752   2HG2  VAL 111          2HG2      VAL 111   2.837  10.156  24.565
  753   3HG2  VAL 111          3HG2      VAL 111   3.400  10.750  23.003
  754    H    LYS 112           H        LYS 112   2.209  15.346  22.755
  755    HA   LYS 112           HA       LYS 112  -0.103  16.504  24.250
  756   1HB   LYS 112          2HB       LYS 112   1.655  17.624  22.042
  757   2HB   LYS 112          1HB       LYS 112   0.478  18.533  22.989
  758   1HG   LYS 112          1HG       LYS 112   1.756  17.972  25.054
  759   2HG   LYS 112          2HG       LYS 112   2.961  17.156  24.057
  760   1HD   LYS 112          1HD       LYS 112   3.603  19.187  22.992
  761   2HD   LYS 112          2HD       LYS 112   2.181  20.039  23.593
  762   1HE   LYS 112          1HE       LYS 112   3.190  20.514  25.580
  763   2HE   LYS 112          2HE       LYS 112   3.837  18.869  25.733
  764   1HZ   LYS 112          1HZ       LYS 112   4.874  20.731  23.684
  765   2HZ   LYS 112          2HZ       LYS 112   5.477  20.781  25.271
  766   3HZ   LYS 112          3HZ       LYS 112   5.624  19.361  24.350
  767    H    ILE 113           H        ILE 113  -2.105  16.741  23.235
  768    HA   ILE 113           HA       ILE 113  -2.434  16.264  20.355
  769    HB   ILE 113           HB       ILE 113  -2.220  13.995  21.281
  770   1HG1  ILE 113          1HG1      ILE 113  -5.146  14.065  20.933
  771   2HG1  ILE 113          2HG1      ILE 113  -4.250  14.905  19.668
  772   1HG2  ILE 113          1HG2      ILE 113  -3.210  14.970  23.567
  773   2HG2  ILE 113          2HG2      ILE 113  -4.711  14.338  22.892
  774   3HG2  ILE 113          3HG2      ILE 113  -3.342  13.260  23.160
  775   1HD1  ILE 113          1HD1      ILE 113  -2.738  12.714  19.781
  776   2HD1  ILE 113          2HD1      ILE 113  -4.227  12.005  20.409
  777   3HD1  ILE 113          3HD1      ILE 113  -4.211  12.754  18.812
  778    H    VAL 114           H        VAL 114  -4.605  16.790  19.653
  779    HA   VAL 114           HA       VAL 114  -6.186  18.305  21.705
  780    HB   VAL 114           HB       VAL 114  -6.081  18.633  18.689
  781   1HG1  VAL 114          1HG1      VAL 114  -7.971  19.536  20.420
  782   2HG1  VAL 114          2HG1      VAL 114  -6.806  20.856  20.512
  783   3HG1  VAL 114          3HG1      VAL 114  -7.503  20.403  18.958
  784   1HG2  VAL 114          1HG2      VAL 114  -4.121  19.299  20.663
  785   2HG2  VAL 114          2HG2      VAL 114  -4.109  19.684  18.942
  786   3HG2  VAL 114          3HG2      VAL 114  -4.853  20.797  20.090
  787    H    TYR 115           H        TYR 115  -8.251  17.547  22.084
  788    HA   TYR 115           HA       TYR 115  -9.225  15.281  20.445
  789   1HB   TYR 115          1HB       TYR 115 -10.257  14.651  22.391
  790   2HB   TYR 115          2HB       TYR 115  -9.129  15.787  23.123
  791    HD1  TYR 115           HD1      TYR 115  -9.875  18.055  23.792
  792    HD2  TYR 115           HD2      TYR 115 -12.612  15.159  22.185
  793    HE1  TYR 115           HE1      TYR 115 -11.783  19.414  24.592
  794    HE2  TYR 115           HE2      TYR 115 -14.523  16.522  22.989
  795    HH   TYR 115           HH       TYR 115 -15.139  18.468  23.894
  796    H    ASN 116           H        ASN 116 -11.640  15.301  19.908
  797    HA   ASN 116           HA       ASN 116 -13.518  16.322  18.890
  798   1HB   ASN 116          1HB       ASN 116 -12.516  18.121  20.894
  799   2HB   ASN 116          2HB       ASN 116 -13.034  19.063  19.502
  800   2HD2  ASN 116          2HD2      ASN 116 -15.053  19.835  20.296
  801   1HD2  ASN 116          1HD2      ASN 116 -16.330  18.812  20.750
  802    H    ALA 117           H        ALA 117 -11.202  15.879  17.321
  803    HA   ALA 117           HA       ALA 117 -10.282  18.188  15.891
  804   1HB   ALA 117          1HB       ALA 117  -9.243  15.912  15.962
  805   2HB   ALA 117          3HB       ALA 117  -9.465  16.502  14.315
  806   3HB   ALA 117          2HB       ALA 117 -10.577  15.307  14.981
  807    H    LYS 118           H        LYS 118 -13.304  16.554  15.866
  808    HA   LYS 118           HA       LYS 118 -14.213  16.769  13.214
  809   1HB   LYS 118          1HB       LYS 118 -16.435  16.861  14.275
  810   2HB   LYS 118          2HB       LYS 118 -15.391  15.738  15.146
  811   1HG   LYS 118          1HG       LYS 118 -15.394  17.016  17.022
  812   2HG   LYS 118          2HG       LYS 118 -15.207  18.512  16.107
  813   1HD   LYS 118          1HD       LYS 118 -17.819  16.991  16.183
  814   2HD   LYS 118          2HD       LYS 118 -17.417  18.225  17.377
  815   1HE   LYS 118          1HE       LYS 118 -16.872  19.689  15.239
  816   2HE   LYS 118          2HE       LYS 118 -17.960  18.540  14.438
  817    H    HIS 119           H        HIS 119 -13.432  19.298  15.457
  818    HA   HIS 119           HA       HIS 119 -15.084  21.386  14.297
  819   1HB   HIS 119          1HB       HIS 119 -12.650  21.256  16.089
  820   2HB   HIS 119          2HB       HIS 119 -13.373  22.794  15.618
  821    HD1  HIS 119           HD1      HIS 119 -16.225  22.616  15.951
  822    HD2  HIS 119           HD2      HIS 119 -13.733  20.430  18.482
  823    HE1  HIS 119           HE1      HIS 119 -17.596  22.070  18.010
  824    H    LEU 120           H        LEU 120 -12.030  19.933  13.466
  825    HA   LEU 120           HA       LEU 120 -10.551  21.852  12.155
  826   1HB   LEU 120          1HB       LEU 120 -11.069  18.999  11.948
  827   2HB   LEU 120          2HB       LEU 120 -10.681  19.684  10.370
  828    HG   LEU 120           HG       LEU 120  -8.980  20.633  12.596
  829   1HD1  LEU 120          1HD1      LEU 120  -9.533  17.988  12.740
  830   2HD1  LEU 120          2HD1      LEU 120  -8.224  17.954  11.557
  831   3HD1  LEU 120          3HD1      LEU 120  -7.956  18.659  13.151
  832   1HD2  LEU 120          1HD2      LEU 120  -8.914  20.705   9.853
  833   2HD2  LEU 120          2HD2      LEU 120  -7.509  20.953  10.890
  834   3HD2  LEU 120          3HD2      LEU 120  -7.825  19.361  10.197
  835    H    ASP 121           H        ASP 121 -10.926  23.268  10.490
  836    HA   ASP 121           HA       ASP 121 -13.508  23.510   9.240
  837   1HB   ASP 121          1HB       ASP 121 -11.001  24.891   9.434
  838   2HB   ASP 121          2HB       ASP 121 -11.450  24.800   7.730
  839    H    TYR 122           H        TYR 122 -10.385  22.198   8.124
  840    HA   TYR 122           HA       TYR 122 -11.267  21.582   5.442
  841   1HB   TYR 122          1HB       TYR 122  -8.907  21.865   6.456
  842   2HB   TYR 122          2HB       TYR 122  -9.086  20.203   7.016
  843    HD1  TYR 122           HD1      TYR 122  -9.552  18.375   5.322
  844    HD2  TYR 122           HD2      TYR 122  -8.387  22.352   4.187
  845    HE1  TYR 122           HE1      TYR 122  -8.917  17.547   3.071
  846    HE2  TYR 122           HE2      TYR 122  -7.752  21.523   1.937
  847    HH   TYR 122           HH       TYR 122  -6.983  19.079   1.031
  848    H    LEU 123           H        LEU 123 -12.100  20.232   8.423
  849    HA   LEU 123           HA       LEU 123 -12.898  17.655   7.106
  850   1HB   LEU 123          1HB       LEU 123 -11.073  18.130   9.204
  851   2HB   LEU 123          2HB       LEU 123 -12.520  17.480   9.976
  852    HG   LEU 123           HG       LEU 123 -12.464  15.701   8.081
  853   1HD1  LEU 123          1HD1      LEU 123 -10.727  16.933   6.758
  854   2HD1  LEU 123          2HD1      LEU 123  -9.569  16.608   8.049
  855   3HD1  LEU 123          3HD1      LEU 123 -10.263  15.272   7.131
  856   1HD2  LEU 123          1HD2      LEU 123 -10.393  15.809  10.295
  857   2HD2  LEU 123          2HD2      LEU 123 -12.017  15.125  10.397
  858   3HD2  LEU 123          3HD2      LEU 123 -10.793  14.349   9.390
  859    H    GLN 124           H        GLN 124 -13.923  20.458   8.731
  860    HA   GLN 124           HA       GLN 124 -16.035  19.619  10.400
  861   1HB   GLN 124          1HB       GLN 124 -15.210  21.990   8.870
  862   2HB   GLN 124          2HB       GLN 124 -16.951  21.906   9.139
  863   1HG   GLN 124          1HG       GLN 124 -16.538  21.558  11.564
  864   2HG   GLN 124          2HG       GLN 124 -14.805  21.709  11.275
  865   2HE2  GLN 124          2HE2      GLN 124 -14.925  23.657  12.749
  866   1HE2  GLN 124          1HE2      GLN 124 -15.457  25.137  12.112
  867    H    ASN 125           H        ASN 125 -15.788  19.534   6.917
  868    HA   ASN 125           HA       ASN 125 -18.360  19.615   5.938
  869   1HB   ASN 125          1HB       ASN 125 -15.861  18.219   5.352
  870   2HB   ASN 125          2HB       ASN 125 -17.269  17.316   4.789
  871   2HD2  ASN 125          2HD2      ASN 125 -18.903  18.687   3.476
  872   1HD2  ASN 125          1HD2      ASN 125 -18.269  19.895   2.465
  873    H    ARG 126           H        ARG 126 -16.983  17.052   7.965
  874    HA   ARG 126           HA       ARG 126 -18.796  14.969   7.700
  875   1HB   ARG 126          1HB       ARG 126 -16.790  15.202   9.230
  876   2HB   ARG 126          2HB       ARG 126 -17.820  16.118  10.331
  877   1HG   ARG 126          1HG       ARG 126 -18.135  14.004  11.206
  878   2HG   ARG 126          2HG       ARG 126 -19.415  13.998   9.994
  879   1HD   ARG 126          1HD       ARG 126 -16.991  13.208   8.692
  880   2HD   ARG 126          2HD       ARG 126 -17.164  12.238  10.168
  881    HE   ARG 126           HE       ARG 126 -19.649  12.000   9.298
  882   1HH1  ARG 126          1HH1      ARG 126 -18.187  13.313   6.754
  883   2HH1  ARG 126          2HH1      ARG 126 -18.208  11.927   5.715
  884   1HH2  ARG 126          1HH2      ARG 126 -19.073   9.716   8.241
  885   2HH2  ARG 126          2HH2      ARG 126 -18.710   9.891   6.557
  886    H    VAL 127           H        VAL 127 -19.294  18.027   9.459
  887    HA   VAL 127           HA       VAL 127 -21.785  17.395  10.693
  888    HB   VAL 127           HB       VAL 127 -21.997  19.875  10.770
  889   1HG1  VAL 127          1HG1      VAL 127 -20.255  18.414  12.120
  890   2HG1  VAL 127          2HG1      VAL 127 -19.077  19.299  11.151
  891   3HG1  VAL 127          3HG1      VAL 127 -20.189  20.173  12.205
  892   1HG2  VAL 127          1HG2      VAL 127 -20.298  19.619   8.428
  893   2HG2  VAL 127          2HG2      VAL 127 -21.205  21.020   8.997
  894   3HG2  VAL 127          3HG2      VAL 127 -19.581  20.712   9.613
  895    H    ILE 128           H        ILE 128 -23.952  18.169   9.999
  896    HA   ILE 128           HA       ILE 128 -24.243  18.310   7.015
  897    HB   ILE 128           HB       ILE 128 -25.937  16.841   9.061
  898   1HG1  ILE 128          1HG1      ILE 128 -24.813  15.213   6.968
  899   2HG1  ILE 128          2HG1      ILE 128 -23.523  16.113   7.766
  900   1HG2  ILE 128          1HG2      ILE 128 -26.354  17.616   6.247
  901   2HG2  ILE 128          2HG2      ILE 128 -26.631  15.905   6.575
  902   3HG2  ILE 128          3HG2      ILE 128 -27.533  17.131   7.466
  903   1HD1  ILE 128          1HD1      ILE 128 -25.634  14.733   9.407
  904   2HD1  ILE 128          2HD1      ILE 128 -24.272  13.813   8.769
  905   3HD1  ILE 128          3HD1      ILE 128 -23.986  15.168   9.861

  No H/Q in entry =         905
  Start of MODEL    9
    1    H2   PRO   1           H2       PRO   1   3.775   8.051  31.051
    2    H3   PRO   1           H3       PRO   1   4.728   7.203  29.923
    3    HA   PRO   1           HA       PRO   1   3.124   7.488  28.427
    4   1HB   PRO   1          1HB       PRO   1   0.953   6.102  29.348
    5   2HB   PRO   1          2HB       PRO   1   2.422   5.309  28.747
    6   1HG   PRO   1          1HG       PRO   1   1.551   5.825  31.550
    7   2HG   PRO   1          2HG       PRO   1   2.339   4.399  30.861
    8   1HD   PRO   1          1HD       PRO   1   3.662   6.295  32.302
    9   2HD   PRO   1          2HD       PRO   1   4.433   5.318  31.036
   10    H    THR   2           H        THR   2   3.170   9.843  29.587
   11    HA   THR   2           HA       THR   2   0.448  10.468  30.656
   12    HB   THR   2           HB       THR   2   3.104  11.935  30.656
   13    HG1  THR   2           HG1      THR   2   1.552  10.856  32.767
   14   1HG2  THR   2          1HG2      THR   2   1.162  13.485  30.505
   15   2HG2  THR   2          2HG2      THR   2   0.482  12.733  31.949
   16   3HG2  THR   2          3HG2      THR   2   2.007  13.614  32.048
   17    H    VAL   3           H        VAL   3  -0.927  11.041  28.999
   18    HA   VAL   3           HA       VAL   3   0.164  12.487  26.637
   19    HB   VAL   3           HB       VAL   3  -2.601  11.362  27.176
   20   1HG1  VAL   3          1HG1      VAL   3  -1.110  12.145  24.654
   21   2HG1  VAL   3          2HG1      VAL   3  -2.650  11.286  24.664
   22   3HG1  VAL   3          3HG1      VAL   3  -2.549  12.922  25.314
   23   1HG2  VAL   3          1HG2      VAL   3  -0.244   9.909  27.066
   24   2HG2  VAL   3          2HG2      VAL   3  -1.850   9.276  26.706
   25   3HG2  VAL   3          3HG2      VAL   3  -0.818   9.855  25.399
   26    H    GLU   4           H        GLU   4  -1.242  14.329  25.812
   27    HA   GLU   4           HA       GLU   4  -2.558  15.834  28.044
   28   1HB   GLU   4          1HB       GLU   4  -0.060  16.358  27.239
   29   2HB   GLU   4          2HB       GLU   4  -0.917  17.259  25.989
   30   1HG   GLU   4          2HG       GLU   4  -0.819  18.905  27.599
   31   2HG   GLU   4          1HG       GLU   4  -2.307  18.112  28.118
   32    H    TYR   5           H        TYR   5  -4.662  16.064  27.364
   33    HA   TYR   5           HA       TYR   5  -5.218  16.356  24.452
   34   1HB   TYR   5          1HB       TYR   5  -7.498  15.788  25.122
   35   2HB   TYR   5          2HB       TYR   5  -6.378  14.650  25.871
   36    HD1  TYR   5           HD1      TYR   5  -8.607  17.530  26.448
   37    HD2  TYR   5           HD2      TYR   5  -5.945  14.694  28.268
   38    HE1  TYR   5           HE1      TYR   5  -9.458  18.171  28.689
   39    HE2  TYR   5           HE2      TYR   5  -6.795  15.335  30.509
   40    HH   TYR   5           HH       TYR   5  -9.352  17.798  30.869
   41    H    LEU   6           H        LEU   6  -5.741  18.332  23.625
   42    HA   LEU   6           HA       LEU   6  -6.581  20.498  25.525
   43   1HB   LEU   6          1HB       LEU   6  -4.299  20.854  24.839
   44   2HB   LEU   6          2HB       LEU   6  -4.685  20.490  23.160
   45    HG   LEU   6           HG       LEU   6  -5.747  22.546  22.821
   46   1HD1  LEU   6          1HD1      LEU   6  -6.261  22.398  25.761
   47   2HD1  LEU   6          2HD1      LEU   6  -6.177  23.998  25.023
   48   3HD1  LEU   6          3HD1      LEU   6  -7.362  22.826  24.451
   49   1HD2  LEU   6          1HD2      LEU   6  -3.210  22.578  23.749
   50   2HD2  LEU   6          2HD2      LEU   6  -4.057  24.029  23.214
   51   3HD2  LEU   6          3HD2      LEU   6  -3.974  23.638  24.932
   52    H    ASN   7           H        ASN   7  -8.706  20.911  25.065
   53    HA   ASN   7           HA       ASN   7 -10.264  20.165  22.908
   54   1HB   ASN   7          1HB       ASN   7 -10.833  21.396  25.084
   55   2HB   ASN   7          2HB       ASN   7 -10.439  22.883  24.223
   56   2HD2  ASN   7          2HD2      ASN   7 -12.290  23.845  23.387
   57   1HD2  ASN   7          1HD2      ASN   7 -13.641  23.013  22.783
   58    H    TYR   8           H        TYR   8 -10.030  20.529  20.742
   59    HA   TYR   8           HA       TYR   8  -8.225  22.403  19.575
   60   1HB   TYR   8          1HB       TYR   8  -8.940  20.525  18.304
   61   2HB   TYR   8          2HB       TYR   8 -10.642  20.855  18.624
   62    HD1  TYR   8           HD1      TYR   8 -11.763  22.810  17.544
   63    HD2  TYR   8           HD2      TYR   8  -7.764  21.622  16.516
   64    HE1  TYR   8           HE1      TYR   8 -11.892  24.166  15.472
   65    HE2  TYR   8           HE2      TYR   8  -7.895  22.979  14.444
   66    HH   TYR   8           HH       TYR   8 -10.115  25.330  13.923
   67    H    GLU   9           H        GLU   9 -11.691  22.618  20.337
   68    HA   GLU   9           HA       GLU   9 -12.288  25.063  19.013
   69   1HB   GLU   9          1HB       GLU   9 -13.446  23.234  20.891
   70   2HB   GLU   9          2HB       GLU   9 -13.681  24.870  21.505
   71   1HG   GLU   9          1HG       GLU   9 -14.344  25.344  18.968
   72   2HG   GLU   9          2HG       GLU   9 -14.715  23.620  18.993
   73    H    THR  10           H        THR  10 -10.802  24.409  22.169
   74    HA   THR  10           HA       THR  10 -10.879  27.038  23.256
   75    HB   THR  10           HB       THR  10  -9.017  24.668  23.499
   76    HG1  THR  10           HG1      THR  10 -10.598  25.787  25.520
   77   1HG2  THR  10          1HG2      THR  10  -7.732  26.745  23.950
   78   2HG2  THR  10          2HG2      THR  10  -8.946  27.217  25.140
   79   3HG2  THR  10          3HG2      THR  10  -7.959  25.779  25.408
   80    H    LEU  11           H        LEU  11  -8.834  25.587  20.796
   81    HA   LEU  11           HA       LEU  11  -6.736  27.564  20.804
   82   1HB   LEU  11          1HB       LEU  11  -6.931  25.178  19.759
   83   2HB   LEU  11          2HB       LEU  11  -7.695  26.008  18.403
   84    HG   LEU  11           HG       LEU  11  -4.927  26.540  19.524
   85   1HD1  LEU  11          1HD1      LEU  11  -6.003  24.887  17.375
   86   2HD1  LEU  11          2HD1      LEU  11  -4.830  26.059  16.775
   87   3HD1  LEU  11          3HD1      LEU  11  -4.372  24.925  18.045
   88   1HD2  LEU  11          1HD2      LEU  11  -6.579  27.977  17.435
   89   2HD2  LEU  11          2HD2      LEU  11  -5.820  28.662  18.873
   90   3HD2  LEU  11          3HD2      LEU  11  -4.823  28.122  17.520
   91    H    ASP  12           H        ASP  12  -9.611  27.132  18.707
   92    HA   ASP  12           HA       ASP  12  -9.242  29.717  17.398
   93   1HB   ASP  12          1HB       ASP  12 -10.310  27.595  16.468
   94   2HB   ASP  12          2HB       ASP  12 -11.695  27.936  17.505
   95    H    ASP  13           H        ASP  13 -11.397  28.403  19.922
   96    HA   ASP  13           HA       ASP  13 -13.159  30.522  20.341
   97   1HB   ASP  13          1HB       ASP  13 -12.943  28.270  21.521
   98   2HB   ASP  13          2HB       ASP  13 -11.693  29.010  22.522
   99    H    GLN  14           H        GLN  14 -10.114  30.136  22.195
  100    HA   GLN  14           HA       GLN  14 -10.106  32.890  23.092
  101   1HB   GLN  14          1HB       GLN  14  -9.078  30.858  24.199
  102   2HB   GLN  14          2HB       GLN  14  -7.835  30.884  22.949
  103   1HG   GLN  14          2HG       GLN  14  -6.707  32.307  24.298
  104   2HG   GLN  14          1HG       GLN  14  -7.908  33.516  23.843
  105   2HE2  GLN  14          2HE2      GLN  14  -6.845  31.382  26.425
  106   1HE2  GLN  14          1HE2      GLN  14  -7.957  31.921  27.589
  107    H    GLY  15           H        GLY  15  -9.327  31.452  20.117
  108   1HA   GLY  15          2HA       GLY  15  -8.370  33.928  18.994
  109   2HA   GLY  15          1HA       GLY  15  -8.393  32.370  18.167
  110    H    TRP  16           H        TRP  16  -6.779  30.967  20.115
  111    HA   TRP  16           HA       TRP  16  -4.223  32.423  20.311
  112   1HB   TRP  16          1HB       TRP  16  -5.541  30.035  21.393
  113   2HB   TRP  16          2HB       TRP  16  -3.839  29.764  21.023
  114    HD1  TRP  16           HD1      TRP  16  -2.886  29.825  23.431
  115    HE1  TRP  16           HE1      TRP  16  -2.695  31.658  25.234
  116    HE3  TRP  16           HE3      TRP  16  -5.931  33.389  21.401
  117    HZ2  TRP  16           HZ2      TRP  16  -3.701  34.286  25.747
  118    HZ3  TRP  16           HZ3      TRP  16  -6.296  35.544  22.564
  119    HH2  TRP  16           HH2      TRP  16  -5.186  35.997  24.734
  120    H    ASP  17           H        ASP  17  -2.217  31.009  19.594
  121    HA   ASP  17           HA       ASP  17  -2.556  30.452  16.713
  122   1HB   ASP  17          1HB       ASP  17  -0.513  31.328  18.553
  123   2HB   ASP  17          2HB       ASP  17   0.084  29.951  17.626
  124    H    MET  18           H        MET  18  -1.096  28.460  15.968
  125    HA   MET  18           HA       MET  18  -2.317  26.064  17.071
  126   1HB   MET  18          1HB       MET  18  -0.322  26.782  14.939
  127   2HB   MET  18          2HB       MET  18  -0.530  25.091  15.393
  128   1HG   MET  18          1HG       MET  18  -2.988  25.334  14.991
  129   2HG   MET  18          2HG       MET  18  -2.696  26.976  14.418
  130   1HE   MET  18          1HE       MET  18  -3.657  24.014  13.738
  131   2HE   MET  18          2HE       MET  18  -3.914  24.435  12.040
  132   3HE   MET  18          3HE       MET  18  -2.773  23.163  12.474
  133    H    ASP  19           H        ASP  19   1.014  27.382  17.059
  134    HA   ASP  19           HA       ASP  19   1.583  25.706  19.470
  135   1HB   ASP  19          1HB       ASP  19   2.966  25.815  16.803
  136   2HB   ASP  19          2HB       ASP  19   3.898  25.425  18.248
  137    H    ASP  20           H        ASP  20   1.363  28.748  18.343
  138    HA   ASP  20           HA       ASP  20   3.920  29.876  19.188
  139   1HB   ASP  20          1HB       ASP  20   1.819  30.640  17.606
  140   2HB   ASP  20          2HB       ASP  20   1.505  31.580  19.065
  141    H    ASP  21           H        ASP  21   0.591  30.184  20.506
  142    HA   ASP  21           HA       ASP  21   1.568  31.232  23.048
  143   1HB   ASP  21          1HB       ASP  21  -0.981  30.639  21.671
  144   2HB   ASP  21          2HB       ASP  21  -1.045  30.521  23.429
  145    H    ASP  22           H        ASP  22   1.356  28.118  21.733
  146    HA   ASP  22           HA       ASP  22   1.488  25.965  22.698
  147   1HB   ASP  22          2HB       ASP  22   2.553  27.508  25.076
  148   2HB   ASP  22          1HB       ASP  22   3.020  25.894  24.538
  149    H    LEU  23           H        LEU  23  -1.066  26.932  22.892
  150    HA   LEU  23           HA       LEU  23  -2.405  27.377  25.246
  151   1HB   LEU  23          1HB       LEU  23  -2.944  25.530  22.922
  152   2HB   LEU  23          2HB       LEU  23  -4.127  25.715  24.215
  153    HG   LEU  23           HG       LEU  23  -2.942  28.082  22.751
  154   1HD1  LEU  23          1HD1      LEU  23  -4.229  26.367  21.292
  155   2HD1  LEU  23          2HD1      LEU  23  -5.655  26.892  22.186
  156   3HD1  LEU  23          3HD1      LEU  23  -4.743  28.053  21.222
  157   1HD2  LEU  23          1HD2      LEU  23  -5.283  27.618  24.605
  158   2HD2  LEU  23          2HD2      LEU  23  -3.941  28.745  24.804
  159   3HD2  LEU  23          3HD2      LEU  23  -5.176  29.052  23.584
  160    H    PHE  24           H        PHE  24  -1.158  24.205  24.183
  161    HA   PHE  24           HA       PHE  24  -2.099  22.487  26.153
  162   1HB   PHE  24          1HB       PHE  24   0.478  22.808  24.644
  163   2HB   PHE  24          2HB       PHE  24   0.379  21.561  25.886
  164    HD1  PHE  24           HD1      PHE  24  -1.546  19.882  25.770
  165    HD2  PHE  24           HD2      PHE  24  -0.492  22.476  22.514
  166    HE1  PHE  24           HE1      PHE  24  -2.768  18.404  24.199
  167    HE2  PHE  24           HE2      PHE  24  -1.713  20.998  20.940
  168    HZ   PHE  24           HZ       PHE  24  -2.849  18.961  21.784
  169    H    GLU  25           H        GLU  25   0.273  25.048  26.447
  170    HA   GLU  25           HA       GLU  25   0.897  24.250  29.257
  171   1HB   GLU  25          1HB       GLU  25   2.120  25.984  27.130
  172   2HB   GLU  25          2HB       GLU  25   2.546  26.270  28.818
  173   1HG   GLU  25          1HG       GLU  25   2.647  23.490  27.657
  174   2HG   GLU  25          2HG       GLU  25   4.000  24.602  27.448
  175    H    LYS  26           H        LYS  26  -0.132  27.130  27.384
  176    HA   LYS  26           HA       LYS  26  -0.616  28.834  29.624
  177   1HB   LYS  26          1HB       LYS  26  -0.441  29.365  27.133
  178   2HB   LYS  26          2HB       LYS  26  -2.103  28.793  26.987
  179   1HG   LYS  26          2HG       LYS  26  -2.745  30.886  27.547
  180   2HG   LYS  26          1HG       LYS  26  -2.173  30.524  29.175
  181   1HD   LYS  26          1HD       LYS  26   0.018  31.422  28.671
  182   2HD   LYS  26          2HD       LYS  26  -0.401  31.611  26.967
  183   1HE   LYS  26          1HE       LYS  26  -2.281  33.173  27.747
  184   2HE   LYS  26          2HE       LYS  26  -1.489  33.162  29.334
  185   1HZ   LYS  26          1HZ       LYS  26  -0.089  33.745  26.775
  186   2HZ   LYS  26          2HZ       LYS  26  -0.682  34.949  27.816
  187   3HZ   LYS  26          3HZ       LYS  26   0.543  33.897  28.344
  188    H    ALA  27           H        ALA  27  -2.546  26.293  28.150
  189    HA   ALA  27           HA       ALA  27  -5.083  27.009  29.321
  190   1HB   ALA  27          1HB       ALA  27  -4.323  25.357  27.396
  191   2HB   ALA  27          2HB       ALA  27  -4.254  24.188  28.714
  192   3HB   ALA  27          3HB       ALA  27  -5.771  25.006  28.340
  193    H    ALA  28           H        ALA  28  -2.217  25.900  30.748
  194    HA   ALA  28           HA       ALA  28  -3.557  24.369  32.905
  195   1HB   ALA  28          1HB       ALA  28  -0.830  24.808  31.830
  196   2HB   ALA  28          3HB       ALA  28  -0.921  24.554  33.572
  197   3HB   ALA  28          2HB       ALA  28  -1.559  23.336  32.468
  198    H    ASP  29           H        ASP  29  -2.104  27.513  32.317
  199    HA   ASP  29           HA       ASP  29  -2.239  28.225  35.199
  200   1HB   ASP  29          1HB       ASP  29  -0.939  29.207  32.711
  201   2HB   ASP  29          2HB       ASP  29  -1.355  30.436  33.904
  202    H    ALA  30           H        ALA  30  -4.116  28.493  32.328
  203    HA   ALA  30           HA       ALA  30  -5.536  30.942  33.156
  204   1HB   ALA  30          1HB       ALA  30  -5.929  28.924  30.921
  205   2HB   ALA  30          3HB       ALA  30  -6.812  30.443  31.064
  206   3HB   ALA  30          2HB       ALA  30  -5.070  30.459  30.798
  207    H    GLY  31           H        GLY  31  -5.753  27.579  33.786
  208   1HA   GLY  31          2HA       GLY  31  -8.080  27.898  35.451
  209   2HA   GLY  31          1HA       GLY  31  -7.329  26.359  35.030
  210    H    LEU  32           H        LEU  32  -7.585  26.393  32.253
  211    HA   LEU  32           HA       LEU  32 -10.196  27.116  31.299
  212   1HB   LEU  32          1HB       LEU  32  -7.774  25.937  30.381
  213   2HB   LEU  32          2HB       LEU  32  -9.080  24.837  29.941
  214    HG   LEU  32           HG       LEU  32  -9.734  27.664  29.478
  215   1HD1  LEU  32          1HD1      LEU  32  -7.112  26.950  28.856
  216   2HD1  LEU  32          2HD1      LEU  32  -7.978  26.736  27.335
  217   3HD1  LEU  32          3HD1      LEU  32  -8.012  28.296  28.157
  218   1HD2  LEU  32          1HD2      LEU  32 -11.071  25.739  28.676
  219   2HD2  LEU  32          2HD2      LEU  32 -10.500  26.727  27.331
  220   3HD2  LEU  32          3HD2      LEU  32  -9.701  25.200  27.705
  221    H    ASP  33           H        ASP  33 -11.710  25.274  30.433
  222    HA   ASP  33           HA       ASP  33 -12.762  23.803  32.661
  223   1HB   ASP  33          1HB       ASP  33 -13.841  24.674  30.469
  224   2HB   ASP  33          2HB       ASP  33 -13.230  23.189  29.740
  225    H    GLY  34           H        GLY  34 -11.893  21.962  33.520
  226   1HA   GLY  34          2HA       GLY  34 -10.964  19.798  33.600
  227   2HA   GLY  34          1HA       GLY  34  -9.706  20.521  32.599
  228    H    GLU  35           H        GLU  35 -13.058  20.223  31.566
  229    HA   GLU  35           HA       GLU  35 -12.731  17.754  30.092
  230   1HB   GLU  35          1HB       GLU  35 -14.698  20.043  30.139
  231   2HB   GLU  35          2HB       GLU  35 -14.883  18.710  29.000
  232   1HG   GLU  35          1HG       GLU  35 -14.335  17.849  31.762
  233   2HG   GLU  35          2HG       GLU  35 -15.860  18.716  31.573
  234    H    ASP  36           H        ASP  36 -11.613  20.927  29.515
  235    HA   ASP  36           HA       ASP  36 -11.560  20.537  26.556
  236   1HB   ASP  36          1HB       ASP  36 -11.151  22.861  28.449
  237   2HB   ASP  36          2HB       ASP  36 -10.747  22.980  26.737
  238    H    TYR  37           H        TYR  37  -9.378  21.352  29.277
  239    HA   TYR  37           HA       TYR  37  -7.123  20.204  27.666
  240   1HB   TYR  37          1HB       TYR  37  -6.841  22.552  27.555
  241   2HB   TYR  37          2HB       TYR  37  -7.378  22.780  29.219
  242    HD1  TYR  37           HD1      TYR  37  -4.686  21.058  27.250
  243    HD2  TYR  37           HD2      TYR  37  -5.783  23.029  30.906
  244    HE1  TYR  37           HE1      TYR  37  -2.335  20.919  28.031
  245    HE2  TYR  37           HE2      TYR  37  -3.433  22.891  31.687
  246    HH   TYR  37           HH       TYR  37  -1.182  22.676  30.705
  247    H    GLY  38           H        GLY  38  -5.634  18.982  28.876
  248   1HA   GLY  38          2HA       GLY  38  -6.570  17.919  31.405
  249   2HA   GLY  38          1HA       GLY  38  -5.174  18.977  31.622
  250    H    THR  39           H        THR  39  -4.227  16.824  32.377
  251    HA   THR  39           HA       THR  39  -2.694  15.646  30.152
  252    HB   THR  39           HB       THR  39  -2.606  14.905  33.079
  253    HG1  THR  39           HG1      THR  39  -1.036  16.678  33.151
  254   1HG2  THR  39          1HG2      THR  39  -0.506  15.110  30.904
  255   2HG2  THR  39          2HG2      THR  39  -0.205  14.616  32.571
  256   3HG2  THR  39          3HG2      THR  39  -1.210  13.616  31.522
  257    H    MET  40           H        MET  40  -3.208  13.696  29.224
  258    HA   MET  40           HA       MET  40  -5.463  12.131  30.356
  259   1HB   MET  40          1HB       MET  40  -4.430  12.824  27.783
  260   2HB   MET  40          2HB       MET  40  -4.377  11.066  27.929
  261   1HG   MET  40          1HG       MET  40  -6.713  10.936  28.388
  262   2HG   MET  40          2HG       MET  40  -6.827  12.671  28.678
  263   1HE   MET  40          1HE       MET  40  -6.720   9.797  26.639
  264   2HE   MET  40          2HE       MET  40  -7.258  10.245  25.023
  265   3HE   MET  40          3HE       MET  40  -5.542  10.297  25.417
  266    H    GLU  41           H        GLU  41  -4.302  11.131  32.151
  267    HA   GLU  41           HA       GLU  41  -1.838   9.686  31.860
  268   1HB   GLU  41          1HB       GLU  41  -3.573  10.453  33.872
  269   2HB   GLU  41          2HB       GLU  41  -3.765   8.700  33.852
  270   1HG   GLU  41          2HG       GLU  41  -1.927   8.846  35.241
  271   2HG   GLU  41          1HG       GLU  41  -1.096   8.794  33.687
  272    H    VAL  42           H        VAL  42  -1.589   7.905  30.567
  273    HA   VAL  42           HA       VAL  42  -3.918   6.036  30.268
  274    HB   VAL  42           HB       VAL  42  -1.612   6.784  28.445
  275   1HG1  VAL  42          1HG1      VAL  42  -3.594   4.532  28.354
  276   2HG1  VAL  42          2HG1      VAL  42  -3.074   5.279  26.844
  277   3HG1  VAL  42          3HG1      VAL  42  -1.886   4.532  27.913
  278   1HG2  VAL  42          1HG2      VAL  42  -4.580   7.300  28.494
  279   2HG2  VAL  42          2HG2      VAL  42  -3.263   8.451  28.269
  280   3HG2  VAL  42          3HG2      VAL  42  -3.690   7.335  26.972
  281    H    ALA  43           H        ALA  43  -3.600   4.077  31.238
  282    HA   ALA  43           HA       ALA  43  -1.026   3.321  32.367
  283   1HB   ALA  43          1HB       ALA  43  -3.824   2.547  32.445
  284   2HB   ALA  43          3HB       ALA  43  -2.790   1.123  32.332
  285   3HB   ALA  43          2HB       ALA  43  -2.566   2.271  33.650
  286    H    GLU  44           H        GLU  44   0.591   2.491  31.102
  287    HA   GLU  44           HA       GLU  44   0.585   1.707  28.465
  288   1HB   GLU  44          1HB       GLU  44   2.507   0.221  29.157
  289   2HB   GLU  44          2HB       GLU  44   2.587   1.848  29.831
  290   1HG   GLU  44          1HG       GLU  44   2.741   0.885  31.867
  291   2HG   GLU  44          2HG       GLU  44   1.056   0.399  31.674
  292    H    GLY  45           H        GLY  45  -0.770   0.298  27.433
  293   1HA   GLY  45          2HA       GLY  45  -1.397  -2.284  28.806
  294   2HA   GLY  45          1HA       GLY  45  -1.219  -2.128  27.059
  295    H    GLU  46           H        GLU  46  -2.711   0.642  27.838
  296    HA   GLU  46           HA       GLU  46  -5.447  -0.571  27.591
  297   1HB   GLU  46          1HB       GLU  46  -4.245   1.308  29.481
  298   2HB   GLU  46          2HB       GLU  46  -5.703   1.962  28.734
  299   1HG   GLU  46          1HG       GLU  46  -6.303  -0.726  29.321
  300   2HG   GLU  46          2HG       GLU  46  -5.460  -0.110  30.743
  301    H    TYR  47           H        TYR  47  -6.930   0.636  26.244
  302    HA   TYR  47           HA       TYR  47  -5.664   2.020  24.009
  303   1HB   TYR  47          2HB       TYR  47  -8.603   1.757  24.699
  304   2HB   TYR  47          1HB       TYR  47  -7.893   1.958  23.098
  305    HD1  TYR  47           HD1      TYR  47  -5.540   0.079  23.423
  306    HD2  TYR  47           HD2      TYR  47  -9.694  -0.355  24.430
  307    HE1  TYR  47           HE1      TYR  47  -5.336  -2.383  23.203
  308    HE2  TYR  47           HE2      TYR  47  -9.490  -2.816  24.211
  309    HH   TYR  47           HH       TYR  47  -6.718  -4.445  24.278
  310    H    ILE  48           H        ILE  48  -5.766   4.239  23.547
  311    HA   ILE  48           HA       ILE  48  -5.775   6.149  25.601
  312    HB   ILE  48           HB       ILE  48  -6.456   6.332  22.654
  313   1HG1  ILE  48          1HG1      ILE  48  -3.939   7.473  23.461
  314   2HG1  ILE  48          2HG1      ILE  48  -4.056   5.827  24.081
  315   1HG2  ILE  48          1HG2      ILE  48  -5.847   8.513  24.671
  316   2HG2  ILE  48          2HG2      ILE  48  -5.825   8.753  22.924
  317   3HG2  ILE  48          3HG2      ILE  48  -7.330   8.320  23.734
  318   1HD1  ILE  48          1HD1      ILE  48  -5.086   5.813  21.423
  319   2HD1  ILE  48          2HD1      ILE  48  -3.553   6.682  21.390
  320   3HD1  ILE  48          3HD1      ILE  48  -3.619   5.037  22.019
  321    H    LEU  49           H        LEU  49  -8.414   5.903  23.188
  322    HA   LEU  49           HA       LEU  49 -10.335   7.497  24.346
  323   1HB   LEU  49          1HB       LEU  49 -10.708   6.386  22.256
  324   2HB   LEU  49          2HB       LEU  49 -10.550   4.794  22.999
  325    HG   LEU  49           HG       LEU  49 -12.583   5.338  24.394
  326   1HD1  LEU  49          1HD1      LEU  49 -12.175   7.892  23.060
  327   2HD1  LEU  49          2HD1      LEU  49 -13.809   7.283  22.797
  328   3HD1  LEU  49          3HD1      LEU  49 -13.204   7.506  24.439
  329   1HD2  LEU  49          1HD2      LEU  49 -12.812   5.332  21.372
  330   2HD2  LEU  49          2HD2      LEU  49 -12.860   3.936  22.448
  331   3HD2  LEU  49          3HD2      LEU  49 -14.186   5.098  22.453
  332    H    GLU  50           H        GLU  50  -9.319   4.309  25.483
  333    HA   GLU  50           HA       GLU  50 -11.513   3.966  27.366
  334   1HB   GLU  50          1HB       GLU  50  -9.625   2.379  26.219
  335   2HB   GLU  50          2HB       GLU  50  -8.894   2.636  27.802
  336   1HG   GLU  50          1HG       GLU  50 -11.644   1.509  27.209
  337   2HG   GLU  50          2HG       GLU  50 -10.289   0.679  27.977
  338    H    ALA  51           H        ALA  51  -8.025   4.684  27.828
  339    HA   ALA  51           HA       ALA  51  -8.127   5.239  30.601
  340   1HB   ALA  51          1HB       ALA  51  -6.143   6.853  29.693
  341   2HB   ALA  51          3HB       ALA  51  -6.385   5.836  28.273
  342   3HB   ALA  51          2HB       ALA  51  -5.970   5.102  29.823
  343    H    ALA  52           H        ALA  52  -8.753   7.329  27.818
  344    HA   ALA  52           HA       ALA  52  -9.067   9.757  29.405
  345   1HB   ALA  52          1HB       ALA  52  -9.147   8.856  26.611
  346   2HB   ALA  52          3HB       ALA  52 -10.317  10.129  26.960
  347   3HB   ALA  52          2HB       ALA  52  -8.603  10.397  27.278
  348    H    GLU  53           H        GLU  53 -11.124   7.108  28.437
  349    HA   GLU  53           HA       GLU  53 -13.672   8.428  28.687
  350   1HB   GLU  53          1HB       GLU  53 -12.545   5.782  28.276
  351   2HB   GLU  53          2HB       GLU  53 -13.938   5.710  29.356
  352   1HG   GLU  53          1HG       GLU  53 -14.093   7.343  26.836
  353   2HG   GLU  53          2HG       GLU  53 -14.312   5.594  26.757
  354    H    ALA  54           H        ALA  54 -11.623   6.634  30.951
  355    HA   ALA  54           HA       ALA  54 -13.486   6.788  33.178
  356   1HB   ALA  54          1HB       ALA  54 -10.544   6.161  32.836
  357   2HB   ALA  54          3HB       ALA  54 -11.345   6.088  34.406
  358   3HB   ALA  54          2HB       ALA  54 -11.868   5.026  33.099
  359    H    GLN  55           H        GLN  55 -11.570   9.118  31.670
  360    HA   GLN  55           HA       GLN  55 -11.058  10.655  34.171
  361   1HB   GLN  55          1HB       GLN  55 -10.033  10.533  31.384
  362   2HB   GLN  55          2HB       GLN  55 -10.043  12.131  32.129
  363   1HG   GLN  55          1HG       GLN  55  -7.914  10.836  32.514
  364   2HG   GLN  55          2HG       GLN  55  -8.725  11.336  33.999
  365   2HE2  GLN  55          2HE2      GLN  55  -7.398   8.642  32.396
  366   1HE2  GLN  55          1HE2      GLN  55  -8.117   7.423  33.333
  367    H    GLY  56           H        GLY  56 -13.090  10.625  31.310
  368   1HA   GLY  56          2HA       GLY  56 -14.436  13.088  32.336
  369   2HA   GLY  56          1HA       GLY  56 -15.260  11.804  31.450
  370    H    TYR  57           H        TYR  57 -12.863  11.622  29.593
  371    HA   TYR  57           HA       TYR  57 -13.005  14.222  28.161
  372   1HB   TYR  57          2HB       TYR  57 -11.432  11.674  27.648
  373   2HB   TYR  57          1HB       TYR  57 -11.170  13.225  26.850
  374    HD1  TYR  57           HD1      TYR  57 -11.740  14.925  29.386
  375    HD2  TYR  57           HD2      TYR  57  -9.235  11.520  28.645
  376    HE1  TYR  57           HE1      TYR  57 -10.243  15.619  31.239
  377    HE2  TYR  57           HE2      TYR  57  -7.741  12.207  30.489
  378    HH   TYR  57           HH       TYR  57  -8.397  15.168  32.376
  379    H    ASP  58           H        ASP  58 -14.644  14.440  26.679
  380    HA   ASP  58           HA       ASP  58 -15.891  12.030  25.485
  381   1HB   ASP  58          1HB       ASP  58 -17.564  13.655  24.738
  382   2HB   ASP  58          2HB       ASP  58 -17.194  13.948  26.437
  383    H    TRP  59           H        TRP  59 -16.188  11.960  23.089
  384    HA   TRP  59           HA       TRP  59 -14.127  13.512  21.576
  385   1HB   TRP  59          1HB       TRP  59 -14.603  10.515  21.585
  386   2HB   TRP  59          2HB       TRP  59 -13.526  11.345  20.460
  387    HD1  TRP  59           HD1      TRP  59 -13.810  10.201  24.051
  388    HE1  TRP  59           HE1      TRP  59 -11.575  10.619  25.262
  389    HE3  TRP  59           HE3      TRP  59 -11.381  12.946  20.497
  390    HZ2  TRP  59           HZ2      TRP  59  -9.082  11.940  24.786
  391    HZ3  TRP  59           HZ3      TRP  59  -9.079  13.771  20.902
  392    HH2  TRP  59           HH2      TRP  59  -7.928  13.270  23.041
  393    HA   PRO  60           HA       PRO  60 -17.270  13.962  18.568
  394   1HB   PRO  60          1HB       PRO  60 -15.786  14.044  16.268
  395   2HB   PRO  60          2HB       PRO  60 -15.833  15.372  17.441
  396   1HG   PRO  60          1HG       PRO  60 -13.763  13.269  17.032
  397   2HG   PRO  60          2HG       PRO  60 -13.566  14.980  17.441
  398   1HD   PRO  60          1HD       PRO  60 -13.372  12.941  19.256
  399   2HD   PRO  60          2HD       PRO  60 -13.837  14.603  19.677
  400    H    PHE  61           H        PHE  61 -18.534  12.723  17.114
  401    HA   PHE  61           HA       PHE  61 -19.278  10.783  15.989
  402   1HB   PHE  61          1HB       PHE  61 -16.398  11.070  15.541
  403   2HB   PHE  61          2HB       PHE  61 -16.933   9.394  15.423
  404    HD1  PHE  61           HD1      PHE  61 -19.578   9.486  14.326
  405    HD2  PHE  61           HD2      PHE  61 -16.211  11.988  13.402
  406    HE1  PHE  61           HE1      PHE  61 -20.537   9.948  12.086
  407    HE2  PHE  61           HE2      PHE  61 -17.169  12.450  11.161
  408    HZ   PHE  61           HZ       PHE  61 -19.332  11.430  10.504
  409    H    SER  62           H        SER  62 -19.141   8.285  16.202
  410    HA   SER  62           HA       SER  62 -18.122   7.419  18.870
  411   1HB   SER  62          1HB       SER  62 -20.881   7.915  18.036
  412   2HB   SER  62          2HB       SER  62 -20.654   6.271  18.633
  413    HG   SER  62           HG       SER  62 -21.122   7.700  20.331
  414    H    CYS  63           H        CYS  63 -19.164   4.868  18.903
  415    HA   CYS  63           HA       CYS  63 -18.708   3.593  16.269
  416   1HB   CYS  63          1HB       CYS  63 -16.856   3.480  18.644
  417   2HB   CYS  63          2HB       CYS  63 -16.908   2.152  17.485
  418    H    ARG  64           H        ARG  64 -21.097   3.332  17.272
  419    HA   ARG  64           HA       ARG  64 -21.148   0.918  19.043
  420   1HB   ARG  64          1HB       ARG  64 -23.278   2.957  18.316
  421   2HB   ARG  64          2HB       ARG  64 -23.454   1.671  19.509
  422   1HG   ARG  64          1HG       ARG  64 -21.567   2.636  20.802
  423   2HG   ARG  64          2HG       ARG  64 -21.443   3.940  19.622
  424   1HD   ARG  64          1HD       ARG  64 -23.852   4.526  20.136
  425   2HD   ARG  64          2HD       ARG  64 -23.784   3.352  21.464
  426    HE   ARG  64           HE       ARG  64 -22.303   5.911  21.331
  427   1HH1  ARG  64          1HH1      ARG  64 -20.161   5.218  22.525
  428   2HH1  ARG  64          2HH1      ARG  64 -20.484   4.581  24.102
  429   1HH2  ARG  64          1HH2      ARG  64 -23.856   4.054  23.485
  430   2HH2  ARG  64          2HH2      ARG  64 -22.578   3.923  24.647
  431    H    ALA  65           H        ALA  65 -21.877   2.095  15.851
  432    HA   ALA  65           HA       ALA  65 -23.159  -0.539  15.192
  433   1HB   ALA  65          1HB       ALA  65 -24.608   1.554  15.190
  434   2HB   ALA  65          3HB       ALA  65 -24.578   0.670  13.664
  435   3HB   ALA  65          2HB       ALA  65 -23.621   2.139  13.851
  436    H    GLY  66           H        GLY  66 -20.936   2.023  14.198
  437   1HA   GLY  66          2HA       GLY  66 -19.747   2.094  12.063
  438   2HA   GLY  66          1HA       GLY  66 -20.113   0.383  11.848
  439    H    ALA  67           H        ALA  67 -17.764   0.117  11.493
  440    HA   ALA  67           HA       ALA  67 -16.380  -0.902  13.758
  441   1HB   ALA  67          1HB       ALA  67 -15.835  -0.222  10.919
  442   2HB   ALA  67          3HB       ALA  67 -14.417  -0.387  11.953
  443   3HB   ALA  67          2HB       ALA  67 -15.548  -1.730  11.786
  444    H    CYS  68           H        CYS  68 -13.980   0.027  14.149
  445    HA   CYS  68           HA       CYS  68 -14.359   2.754  15.224
  446   1HB   CYS  68          1HB       CYS  68 -12.899   0.366  15.838
  447   2HB   CYS  68          2HB       CYS  68 -11.744   1.686  15.653
  448    H    ALA  69           H        ALA  69 -14.362   3.803  13.038
  449    HA   ALA  69           HA       ALA  69 -11.564   4.309  12.117
  450   1HB   ALA  69          1HB       ALA  69 -12.449   2.651  10.613
  451   2HB   ALA  69          3HB       ALA  69 -13.987   3.503  10.484
  452   3HB   ALA  69          2HB       ALA  69 -12.533   4.192   9.761
  453    H    ASN  70           H        ASN  70 -13.500   5.873  13.752
  454    HA   ASN  70           HA       ASN  70 -13.910   8.200  11.901
  455   1HB   ASN  70          1HB       ASN  70 -15.452   7.304  14.359
  456   2HB   ASN  70          2HB       ASN  70 -15.826   8.732  13.395
  457   2HD2  ASN  70          2HD2      ASN  70 -17.415   6.153  13.824
  458   1HD2  ASN  70          1HD2      ASN  70 -17.733   5.585  12.257
  459    H    CYS  71           H        CYS  71 -14.694   9.329  14.837
  460    HA   CYS  71           HA       CYS  71 -13.592  10.701  16.406
  461   1HB   CYS  71          1HB       CYS  71 -11.673   8.447  15.831
  462   2HB   CYS  71          2HB       CYS  71 -11.243   9.723  16.970
  463    H    ALA  72           H        ALA  72 -11.501  12.080  16.648
  464    HA   ALA  72           HA       ALA  72  -9.905  12.590  14.267
  465   1HB   ALA  72          1HB       ALA  72 -12.436  13.535  14.111
  466   2HB   ALA  72          3HB       ALA  72 -11.670  14.892  14.934
  467   3HB   ALA  72          2HB       ALA  72 -11.068  14.359  13.364
  468    H    SER  73           H        SER  73  -7.996  13.120  15.264
  469    HA   SER  73           HA       SER  73  -8.066  15.163  17.445
  470   1HB   SER  73          1HB       SER  73  -6.493  13.715  18.720
  471   2HB   SER  73          2HB       SER  73  -8.042  12.917  18.447
  472    HG   SER  73           HG       SER  73  -7.113  11.802  16.723
  473    H    ILE  74           H        ILE  74  -5.661  15.805  17.944
  474    HA   ILE  74           HA       ILE  74  -3.987  15.703  15.465
  475    HB   ILE  74           HB       ILE  74  -4.546  18.216  17.059
  476   1HG1  ILE  74          1HG1      ILE  74  -6.654  17.305  16.088
  477   2HG1  ILE  74          2HG1      ILE  74  -6.171  18.825  15.336
  478   1HG2  ILE  74          1HG2      ILE  74  -3.154  17.517  14.494
  479   2HG2  ILE  74          2HG2      ILE  74  -3.900  19.106  14.659
  480   3HG2  ILE  74          3HG2      ILE  74  -2.635  18.604  15.783
  481   1HD1  ILE  74          1HD1      ILE  74  -5.069  16.382  14.072
  482   2HD1  ILE  74          2HD1      ILE  74  -6.815  16.586  13.925
  483   3HD1  ILE  74          3HD1      ILE  74  -5.728  17.837  13.326
  484    H    VAL  75           H        VAL  75  -2.663  14.220  16.802
  485    HA   VAL  75           HA       VAL  75  -1.600  14.704  19.348
  486    HB   VAL  75           HB       VAL  75  -1.350  12.672  17.897
  487   1HG1  VAL  75          1HG1      VAL  75  -0.555  14.319  15.952
  488   2HG1  VAL  75          2HG1      VAL  75   1.036  13.938  16.614
  489   3HG1  VAL  75          3HG1      VAL  75  -0.005  12.644  16.017
  490   1HG2  VAL  75          1HG2      VAL  75   0.515  13.809  19.714
  491   2HG2  VAL  75          2HG2      VAL  75   0.289  12.102  19.329
  492   3HG2  VAL  75          3HG2      VAL  75   1.450  13.065  18.416
  493    H    LYS  76           H        LYS  76  -0.583  16.551  20.044
  494    HA   LYS  76           HA       LYS  76   0.808  18.327  18.158
  495   1HB   LYS  76          1HB       LYS  76  -0.522  18.491  20.636
  496   2HB   LYS  76          2HB       LYS  76   1.160  18.894  20.984
  497   1HG   LYS  76          1HG       LYS  76   0.162  20.962  20.377
  498   2HG   LYS  76          2HG       LYS  76   1.029  20.446  18.931
  499   1HD   LYS  76          1HD       LYS  76  -1.675  19.352  19.027
  500   2HD   LYS  76          2HD       LYS  76  -1.676  21.115  19.070
  501   1HE   LYS  76          1HE       LYS  76   0.067  19.665  17.081
  502   2HE   LYS  76          2HE       LYS  76  -1.649  19.946  16.732
  503   1HZ   LYS  76          1HZ       LYS  76  -1.316  22.293  17.287
  504   2HZ   LYS  76          2HZ       LYS  76   0.338  22.009  17.546
  505   3HZ   LYS  76          3HZ       LYS  76  -0.323  21.826  15.992
  506    H    GLU  77           H        GLU  77   1.649  15.685  20.208
  507    HA   GLU  77           HA       GLU  77   4.386  15.625  19.367
  508   1HB   GLU  77          1HB       GLU  77   3.865  17.643  21.166
  509   2HB   GLU  77          2HB       GLU  77   4.395  16.339  22.230
  510   1HG   GLU  77          1HG       GLU  77   6.537  16.586  21.573
  511   2HG   GLU  77          2HG       GLU  77   6.079  16.487  19.872
  512    H    GLY  78           H        GLY  78   5.513  13.798  20.326
  513   1HA   GLY  78          2HA       GLY  78   3.857  12.127  22.165
  514   2HA   GLY  78          1HA       GLY  78   5.609  12.001  22.005
  515    H    GLU  79           H        GLU  79   3.758   9.806  21.692
  516    HA   GLU  79           HA       GLU  79   3.451   9.287  18.820
  517   1HB   GLU  79          1HB       GLU  79   5.893   9.046  19.254
  518   2HB   GLU  79          2HB       GLU  79   5.536   7.821  20.471
  519   1HG   GLU  79          1HG       GLU  79   5.449   6.251  18.862
  520   2HG   GLU  79          2HG       GLU  79   4.129   7.123  18.083
  521    H    ILE  80           H        ILE  80   2.289   7.294  18.454
  522    HA   ILE  80           HA       ILE  80   1.367   5.853  20.909
  523    HB   ILE  80           HB       ILE  80  -0.244   7.170  18.710
  524   1HG1  ILE  80          2HG1      ILE  80  -1.289   7.586  21.314
  525   2HG1  ILE  80          1HG1      ILE  80   0.456   7.812  21.429
  526   1HG2  ILE  80          1HG2      ILE  80  -0.852   4.800  20.367
  527   2HG2  ILE  80          2HG2      ILE  80  -2.095   6.051  20.385
  528   3HG2  ILE  80          3HG2      ILE  80  -1.587   5.336  18.855
  529   1HD1  ILE  80          1HD1      ILE  80   0.298   9.308  19.391
  530   2HD1  ILE  80          2HD1      ILE  80  -1.457   9.212  19.542
  531   3HD1  ILE  80          3HD1      ILE  80  -0.500   9.942  20.830
  532    H    ASP  81           H        ASP  81   1.076   3.637  20.572
  533    HA   ASP  81           HA       ASP  81   1.766   2.618  17.842
  534   1HB   ASP  81          1HB       ASP  81   2.171   1.725  20.675
  535   2HB   ASP  81          2HB       ASP  81   2.107   0.497  19.410
  536    H    MET  82           H        MET  82   0.411   1.054  16.875
  537    HA   MET  82           HA       MET  82  -1.933   0.017  18.335
  538   1HB   MET  82          1HB       MET  82  -3.511   1.089  16.757
  539   2HB   MET  82          2HB       MET  82  -2.572   2.300  17.630
  540   1HG   MET  82          1HG       MET  82  -0.993   2.405  15.694
  541   2HG   MET  82          2HG       MET  82  -2.042   1.288  14.819
  542   1HE   MET  82          1HE       MET  82  -4.631   1.649  15.172
  543   2HE   MET  82          2HE       MET  82  -4.831   2.775  16.512
  544   3HE   MET  82          3HE       MET  82  -5.433   3.205  14.913
  545    H    ASP  83           H        ASP  83  -3.413  -1.026  16.362
  546    HA   ASP  83           HA       ASP  83  -1.858  -3.190  15.310
  547   1HB   ASP  83          1HB       ASP  83  -4.618  -2.084  15.076
  548   2HB   ASP  83          2HB       ASP  83  -4.116  -3.243  13.846
  549    H    MET  84           H        MET  84  -1.387  -3.638  13.033
  550    HA   MET  84           HA       MET  84  -0.377  -1.321  11.589
  551   1HB   MET  84          1HB       MET  84  -0.181  -4.207  11.597
  552   2HB   MET  84          2HB       MET  84  -0.410  -3.623   9.949
  553   1HG   MET  84          1HG       MET  84   1.642  -2.653   9.886
  554   2HG   MET  84          2HG       MET  84   1.486  -2.016  11.525
  555   1HE   MET  84          1HE       MET  84   3.164  -2.429  12.941
  556   2HE   MET  84          2HE       MET  84   1.976  -3.461  13.748
  557   3HE   MET  84          3HE       MET  84   3.645  -4.000  13.578
  558    H    GLN  85           H        GLN  85  -1.534  -0.106  10.150
  559    HA   GLN  85           HA       GLN  85  -3.594  -1.348   8.444
  560   1HB   GLN  85          1HB       GLN  85  -4.200  -0.123  10.951
  561   2HB   GLN  85          2HB       GLN  85  -4.800   0.944   9.681
  562   1HG   GLN  85          1HG       GLN  85  -5.499  -1.597   8.785
  563   2HG   GLN  85          2HG       GLN  85  -5.786  -1.678  10.523
  564   2HE2  GLN  85          2HE2      GLN  85  -6.611   0.214   7.593
  565   1HE2  GLN  85          1HE2      GLN  85  -8.051   0.856   8.221
  566    H    GLN  86           H        GLN  86  -3.431  -0.347   6.469
  567    HA   GLN  86           HA       GLN  86  -2.011   2.271   6.327
  568   1HB   GLN  86          1HB       GLN  86  -2.444  -0.113   4.588
  569   2HB   GLN  86          2HB       GLN  86  -2.231   1.438   3.778
  570   1HG   GLN  86          1HG       GLN  86  -0.301   1.218   5.896
  571   2HG   GLN  86          2HG       GLN  86  -0.217  -0.229   4.892
  572   2HE2  GLN  86          2HE2      GLN  86   1.349   0.069   3.304
  573   1HE2  GLN  86          1HE2      GLN  86   1.606   1.508   2.442
  574    H    ILE  87           H        ILE  87  -4.280   3.079   7.216
  575    HA   ILE  87           HA       ILE  87  -6.146   3.516   4.911
  576    HB   ILE  87           HB       ILE  87  -7.081   2.345   6.852
  577   1HG1  ILE  87          1HG1      ILE  87  -8.879   3.998   7.455
  578   2HG1  ILE  87          2HG1      ILE  87  -7.954   5.238   6.608
  579   1HG2  ILE  87          1HG2      ILE  87  -5.401   4.184   8.270
  580   2HG2  ILE  87          2HG2      ILE  87  -7.062   4.416   8.814
  581   3HG2  ILE  87          3HG2      ILE  87  -6.316   2.821   8.915
  582   1HD1  ILE  87          1HD1      ILE  87  -8.044   3.843   4.542
  583   2HD1  ILE  87          2HD1      ILE  87  -9.057   2.682   5.401
  584   3HD1  ILE  87          3HD1      ILE  87  -9.647   4.317   5.104
  585    H    LEU  88           H        LEU  88  -3.950   5.047   7.097
  586    HA   LEU  88           HA       LEU  88  -5.022   7.750   6.370
  587   1HB   LEU  88          2HB       LEU  88  -3.792   8.467   8.395
  588   2HB   LEU  88          1HB       LEU  88  -4.908   7.154   8.772
  589    HG   LEU  88           HG       LEU  88  -2.526   5.885   7.989
  590   1HD1  LEU  88          1HD1      LEU  88  -1.581   8.276   8.390
  591   2HD1  LEU  88          2HD1      LEU  88  -1.854   7.932  10.097
  592   3HD1  LEU  88          3HD1      LEU  88  -0.759   6.918   9.158
  593   1HD2  LEU  88          1HD2      LEU  88  -4.137   6.285  10.444
  594   2HD2  LEU  88          2HD2      LEU  88  -3.564   4.790   9.707
  595   3HD2  LEU  88          3HD2      LEU  88  -2.477   5.753  10.707
  596    H    SER  89           H        SER  89  -3.117   9.418   6.286
  597    HA   SER  89           HA       SER  89  -0.941   8.244   4.592
  598   1HB   SER  89          1HB       SER  89  -2.691  10.610   4.491
  599   2HB   SER  89          2HB       SER  89  -0.996  10.973   4.162
  600    HG   SER  89           HG       SER  89  -1.561  10.304   2.239
  601    H    ASP  90           H        ASP  90   1.030   8.208   5.594
  602    HA   ASP  90           HA       ASP  90   1.730   9.074   8.111
  603   1HB   ASP  90          2HB       ASP  90   4.025   8.991   7.299
  604   2HB   ASP  90          1HB       ASP  90   3.091   7.753   6.459
  605    H    GLU  91           H        GLU  91   1.873  11.041   5.147
  606    HA   GLU  91           HA       GLU  91   3.017  13.395   6.230
  607   1HB   GLU  91          1HB       GLU  91   1.995  12.505   3.825
  608   2HB   GLU  91          2HB       GLU  91   0.847  13.766   4.273
  609   1HG   GLU  91          2HG       GLU  91   2.403  15.129   3.289
  610   2HG   GLU  91          1HG       GLU  91   3.169  15.023   4.873
  611    H    GLU  92           H        GLU  92  -0.263  12.124   6.435
  612    HA   GLU  92           HA       GLU  92  -1.509  14.552   7.403
  613   1HB   GLU  92          1HB       GLU  92  -2.784  12.754   6.387
  614   2HB   GLU  92          2HB       GLU  92  -2.190  11.601   7.583
  615   1HG   GLU  92          1HG       GLU  92  -3.512  12.490   9.289
  616   2HG   GLU  92          2HG       GLU  92  -3.636  14.066   8.508
  617    H    VAL  93           H        VAL  93  -0.009  11.732   8.976
  618    HA   VAL  93           HA       VAL  93  -0.688  12.563  11.679
  619    HB   VAL  93           HB       VAL  93   1.474  10.702  10.636
  620   1HG1  VAL  93          1HG1      VAL  93   0.020  10.845  13.296
  621   2HG1  VAL  93          2HG1      VAL  93   1.195   9.611  12.841
  622   3HG1  VAL  93          3HG1      VAL  93   1.704  11.291  13.017
  623   1HG2  VAL  93          1HG2      VAL  93  -1.484  10.344  11.111
  624   2HG2  VAL  93          2HG2      VAL  93  -0.534   9.886   9.697
  625   3HG2  VAL  93          3HG2      VAL  93  -0.376   8.974  11.199
  626    H    GLU  94           H        GLU  94   1.930  13.223   9.439
  627    HA   GLU  94           HA       GLU  94   3.671  14.382  11.522
  628   1HB   GLU  94          1HB       GLU  94   3.846  14.315   8.492
  629   2HB   GLU  94          2HB       GLU  94   5.159  14.737   9.590
  630   1HG   GLU  94          1HG       GLU  94   4.426  12.336  10.625
  631   2HG   GLU  94          2HG       GLU  94   4.024  12.076   8.928
  632    H    GLU  95           H        GLU  95   1.759  15.529   8.723
  633    HA   GLU  95           HA       GLU  95   2.287  18.348   9.470
  634   1HB   GLU  95          1HB       GLU  95   2.005  16.996   7.110
  635   2HB   GLU  95          2HB       GLU  95   0.383  17.658   7.311
  636   1HG   GLU  95          1HG       GLU  95   1.123  19.860   7.214
  637   2HG   GLU  95          2HG       GLU  95   2.740  19.449   7.783
  638    H    LYS  96           H        LYS  96  -0.547  16.185   9.053
  639    HA   LYS  96           HA       LYS  96  -2.367  18.181  10.204
  640   1HB   LYS  96          1HB       LYS  96  -2.538  16.015   8.488
  641   2HB   LYS  96          2HB       LYS  96  -3.272  15.397   9.967
  642   1HG   LYS  96          1HG       LYS  96  -4.935  17.066   9.982
  643   2HG   LYS  96          2HG       LYS  96  -4.024  18.110   8.891
  644   1HD   LYS  96          1HD       LYS  96  -4.738  17.003   7.021
  645   2HD   LYS  96          2HD       LYS  96  -4.728  15.432   7.823
  646   1HE   LYS  96          1HE       LYS  96  -6.869  15.756   8.756
  647   2HE   LYS  96          2HE       LYS  96  -6.778  17.518   8.582
  648   1HZ   LYS  96          1HZ       LYS  96  -6.377  16.614   6.053
  649   2HZ   LYS  96          2HZ       LYS  96  -7.535  15.521   6.644
  650   3HZ   LYS  96          3HZ       LYS  96  -7.856  17.188   6.657
  651    H    ASP  97           H        ASP  97  -0.318  15.695  11.421
  652    HA   ASP  97           HA       ASP  97  -0.019  14.866  13.616
  653   1HB   ASP  97          1HB       ASP  97  -1.329  17.509  13.778
  654   2HB   ASP  97          2HB       ASP  97  -1.514  16.516  15.224
  655    H    VAL  98           H        VAL  98  -2.651  14.367  11.896
  656    HA   VAL  98           HA       VAL  98  -4.616  13.654  13.951
  657    HB   VAL  98           HB       VAL  98  -4.353  13.195  10.965
  658   1HG1  VAL  98          1HG1      VAL  98  -5.731  11.451  12.275
  659   2HG1  VAL  98          2HG1      VAL  98  -6.853  12.771  12.606
  660   3HG1  VAL  98          3HG1      VAL  98  -6.541  12.275  10.943
  661   1HG2  VAL  98          1HG2      VAL  98  -4.704  15.536  11.804
  662   2HG2  VAL  98          2HG2      VAL  98  -6.036  14.943  10.813
  663   3HG2  VAL  98          3HG2      VAL  98  -6.197  14.992  12.568
  664    H    ARG  99           H        ARG  99  -5.215  11.479  14.502
  665    HA   ARG  99           HA       ARG  99  -3.772   9.175  13.434
  666   1HB   ARG  99          1HB       ARG  99  -2.087  10.336  14.871
  667   2HB   ARG  99          2HB       ARG  99  -3.177  10.153  16.245
  668   1HG   ARG  99          1HG       ARG  99  -3.153   7.638  15.719
  669   2HG   ARG  99          2HG       ARG  99  -1.776   7.985  14.672
  670   1HD   ARG  99          2HD       ARG  99  -1.972   8.490  17.663
  671   2HD   ARG  99          1HD       ARG  99  -0.864   7.384  16.828
  672    HE   ARG  99           HE       ARG  99  -0.799  10.363  16.461
  673   1HH1  ARG  99          1HH1      ARG  99   0.589   8.058  14.763
  674   2HH1  ARG  99          2HH1      ARG  99   2.221   8.281  15.301
  675   1HH2  ARG  99          1HH2      ARG  99   1.342  10.316  17.969
  676   2HH2  ARG  99          2HH2      ARG  99   2.647   9.559  17.117
  677    H    LEU 100           H        LEU 100  -4.532   7.159  14.465
  678    HA   LEU 100           HA       LEU 100  -7.270   7.459  15.575
  679   1HB   LEU 100          1HB       LEU 100  -5.730   5.565  13.963
  680   2HB   LEU 100          2HB       LEU 100  -6.653   4.758  15.230
  681    HG   LEU 100           HG       LEU 100  -8.689   5.981  14.486
  682   1HD1  LEU 100          1HD1      LEU 100  -6.737   7.057  12.447
  683   2HD1  LEU 100          2HD1      LEU 100  -8.475   7.040  12.150
  684   3HD1  LEU 100          3HD1      LEU 100  -7.820   7.963  13.504
  685   1HD2  LEU 100          1HD2      LEU 100  -7.158   4.082  12.799
  686   2HD2  LEU 100          2HD2      LEU 100  -8.785   3.936  13.463
  687   3HD2  LEU 100          3HD2      LEU 100  -8.509   4.890  12.005
  688    H    THR 101           H        THR 101  -7.097   7.826  17.800
  689    HA   THR 101           HA       THR 101  -5.310   6.008  19.376
  690    HB   THR 101           HB       THR 101  -5.519   7.788  21.089
  691    HG1  THR 101           HG1      THR 101  -7.005   9.202  19.144
  692   1HG2  THR 101          1HG2      THR 101  -4.151   7.928  18.686
  693   2HG2  THR 101          2HG2      THR 101  -4.971   9.487  18.768
  694   3HG2  THR 101          3HG2      THR 101  -3.894   8.987  20.072
  695    H    CYS 102           H        CYS 102  -7.402   4.543  18.717
  696    HA   CYS 102           HA       CYS 102  -9.313   4.756  21.023
  697   1HB   CYS 102          2HB       CYS 102  -9.784   3.828  18.172
  698   2HB   CYS 102          1HB       CYS 102 -11.005   3.868  19.444
  699    H    ILE 103           H        ILE 103  -7.385   2.671  18.928
  700    HA   ILE 103           HA       ILE 103  -7.987   0.374  20.767
  701    HB   ILE 103           HB       ILE 103  -7.634  -1.034  18.742
  702   1HG1  ILE 103          1HG1      ILE 103  -7.460   1.629  17.300
  703   2HG1  ILE 103          2HG1      ILE 103  -6.089   0.561  17.601
  704   1HG2  ILE 103          1HG2      ILE 103  -9.862   0.303  19.426
  705   2HG2  ILE 103          2HG2      ILE 103  -9.596   1.021  17.837
  706   3HG2  ILE 103          3HG2      ILE 103  -9.790  -0.725  17.995
  707   1HD1  ILE 103          1HD1      ILE 103  -7.495  -1.260  16.424
  708   2HD1  ILE 103          2HD1      ILE 103  -8.499   0.071  15.849
  709   3HD1  ILE 103          3HD1      ILE 103  -6.792   0.001  15.408
  710    H    GLY 104           H        GLY 104  -5.709   2.572  20.354
  711   1HA   GLY 104          2HA       GLY 104  -3.274   2.072  19.709
  712   2HA   GLY 104          1HA       GLY 104  -3.485   0.596  20.652
  713    H    SER 105           H        SER 105  -1.540   1.740  21.762
  714    HA   SER 105           HA       SER 105  -2.582   3.585  23.889
  715   1HB   SER 105          1HB       SER 105  -2.113   1.853  25.266
  716   2HB   SER 105          2HB       SER 105  -1.343   0.955  23.958
  717    HG   SER 105           HG       SER 105   0.553   1.688  24.538
  718    HA   PRO 106           HA       PRO 106   0.795   6.217  22.922
  719   1HB   PRO 106          1HB       PRO 106   1.445   7.214  25.388
  720   2HB   PRO 106          2HB       PRO 106  -0.022   7.686  24.509
  721   1HG   PRO 106          2HG       PRO 106   0.310   5.760  26.756
  722   2HG   PRO 106          1HG       PRO 106  -0.999   6.905  26.438
  723   1HD   PRO 106          1HD       PRO 106  -1.150   4.219  25.914
  724   2HD   PRO 106          2HD       PRO 106  -2.098   5.451  25.055
  725    H    ALA 107           H        ALA 107   3.061   6.093  22.766
  726    HA   ALA 107           HA       ALA 107   4.365   3.918  24.366
  727   1HB   ALA 107          1HB       ALA 107   4.065   3.922  21.763
  728   2HB   ALA 107          3HB       ALA 107   5.393   5.082  21.786
  729   3HB   ALA 107          2HB       ALA 107   5.628   3.459  22.435
  730    H    ALA 108           H        ALA 108   4.407   7.310  23.610
  731    HA   ALA 108           HA       ALA 108   7.157   7.673  24.676
  732   1HB   ALA 108          1HB       ALA 108   7.092   9.399  23.220
  733   2HB   ALA 108          3HB       ALA 108   5.442   8.943  22.793
  734   3HB   ALA 108          2HB       ALA 108   5.730  10.104  24.090
  735    H    ASP 109           H        ASP 109   7.546   8.945  26.574
  736    HA   ASP 109           HA       ASP 109   5.742   8.643  28.752
  737   1HB   ASP 109          1HB       ASP 109   8.345   9.601  28.219
  738   2HB   ASP 109          2HB       ASP 109   7.505  10.926  29.026
  739    H    GLU 110           H        GLU 110   6.611  11.703  27.088
  740    HA   GLU 110           HA       GLU 110   4.014  12.854  28.010
  741   1HB   GLU 110          1HB       GLU 110   6.582  13.755  28.174
  742   2HB   GLU 110          2HB       GLU 110   6.071  14.517  26.668
  743   1HG   GLU 110          1HG       GLU 110   4.726  15.974  27.756
  744   2HG   GLU 110          2HG       GLU 110   4.029  14.697  28.754
  745    H    VAL 111           H        VAL 111   2.403  12.829  26.495
  746    HA   VAL 111           HA       VAL 111   3.153  13.236  23.620
  747    HB   VAL 111           HB       VAL 111   1.098  11.333  24.795
  748   1HG1  VAL 111          1HG1      VAL 111   1.078  12.499  22.311
  749   2HG1  VAL 111          2HG1      VAL 111   2.006  11.031  22.004
  750   3HG1  VAL 111          3HG1      VAL 111   0.380  10.921  22.676
  751   1HG2  VAL 111          1HG2      VAL 111   3.931  11.013  23.849
  752   2HG2  VAL 111          2HG2      VAL 111   3.135  10.289  25.246
  753   3HG2  VAL 111          3HG2      VAL 111   2.791   9.686  23.624
  754    H    LYS 112           H        LYS 112   2.186  15.119  22.960
  755    HA   LYS 112           HA       LYS 112  -0.266  16.067  24.356
  756   1HB   LYS 112          1HB       LYS 112   1.662  17.335  22.384
  757   2HB   LYS 112          2HB       LYS 112   0.311  18.179  23.143
  758   1HG   LYS 112          1HG       LYS 112   1.292  17.609  25.382
  759   2HG   LYS 112          2HG       LYS 112   2.690  16.926  24.551
  760   1HD   LYS 112          1HD       LYS 112   2.790  19.248  23.348
  761   2HD   LYS 112          2HD       LYS 112   1.796  19.796  24.698
  762   1HE   LYS 112          1HE       LYS 112   3.700  19.997  25.917
  763   2HE   LYS 112          2HE       LYS 112   3.881  18.234  25.831
  764   1HZ   LYS 112          1HZ       LYS 112   4.706  20.111  23.675
  765   2HZ   LYS 112          2HZ       LYS 112   5.773  19.485  24.837
  766   3HZ   LYS 112          3HZ       LYS 112   5.003  18.440  23.741
  767    H    ILE 113           H        ILE 113  -2.196  16.482  23.212
  768    HA   ILE 113           HA       ILE 113  -2.352  16.088  20.306
  769    HB   ILE 113           HB       ILE 113  -2.307  13.791  21.068
  770   1HG1  ILE 113          1HG1      ILE 113  -5.239  14.433  20.725
  771   2HG1  ILE 113          2HG1      ILE 113  -4.096  14.569  19.389
  772   1HG2  ILE 113          1HG2      ILE 113  -4.163  14.875  23.159
  773   2HG2  ILE 113          2HG2      ILE 113  -4.297  13.178  22.701
  774   3HG2  ILE 113          3HG2      ILE 113  -2.779  13.799  23.347
  775   1HD1  ILE 113          1HD1      ILE 113  -3.393  12.141  20.118
  776   2HD1  ILE 113          2HD1      ILE 113  -4.983  12.117  20.882
  777   3HD1  ILE 113          3HD1      ILE 113  -4.844  12.370  19.142
  778    H    VAL 114           H        VAL 114  -4.190  17.106  19.484
  779    HA   VAL 114           HA       VAL 114  -5.795  18.686  21.387
  780    HB   VAL 114           HB       VAL 114  -5.930  18.445  18.363
  781   1HG1  VAL 114          1HG1      VAL 114  -7.836  19.556  19.670
  782   2HG1  VAL 114          2HG1      VAL 114  -6.663  20.793  20.122
  783   3HG1  VAL 114          3HG1      VAL 114  -7.069  20.539  18.424
  784   1HG2  VAL 114          1HG2      VAL 114  -3.887  19.541  20.101
  785   2HG2  VAL 114          2HG2      VAL 114  -3.896  19.418  18.342
  786   3HG2  VAL 114          3HG2      VAL 114  -4.621  20.819  19.131
  787    H    TYR 115           H        TYR 115  -7.822  18.098  22.069
  788    HA   TYR 115           HA       TYR 115  -9.034  15.643  20.899
  789   1HB   TYR 115          1HB       TYR 115  -9.428  15.207  23.083
  790   2HB   TYR 115          2HB       TYR 115  -8.605  16.706  23.495
  791    HD1  TYR 115           HD1      TYR 115 -11.879  15.105  22.930
  792    HD2  TYR 115           HD2      TYR 115  -9.853  18.729  24.036
  793    HE1  TYR 115           HE1      TYR 115 -14.022  16.058  23.743
  794    HE2  TYR 115           HE2      TYR 115 -11.991  19.679  24.848
  795    HH   TYR 115           HH       TYR 115 -14.510  19.265  24.305
  796    H    ASN 116           H        ASN 116 -11.268  15.650  20.225
  797    HA   ASN 116           HA       ASN 116 -13.267  16.601  19.380
  798   1HB   ASN 116          1HB       ASN 116 -12.450  18.188  21.554
  799   2HB   ASN 116          2HB       ASN 116 -12.788  19.331  20.258
  800   2HD2  ASN 116          2HD2      ASN 116 -14.644  19.751  22.009
  801   1HD2  ASN 116          1HD2      ASN 116 -16.084  18.889  21.752
  802    H    ALA 117           H        ALA 117 -10.941  16.456  17.756
  803    HA   ALA 117           HA       ALA 117 -10.273  18.931  16.460
  804   1HB   ALA 117          1HB       ALA 117  -9.054  16.700  16.450
  805   2HB   ALA 117          3HB       ALA 117  -9.203  17.469  14.870
  806   3HB   ALA 117          2HB       ALA 117 -10.266  16.130  15.303
  807    H    LYS 118           H        LYS 118 -13.013  16.788  16.182
  808    HA   LYS 118           HA       LYS 118 -13.939  17.154  13.581
  809   1HB   LYS 118          2HB       LYS 118 -16.150  16.813  14.559
  810   2HB   LYS 118          1HB       LYS 118 -14.979  15.835  15.443
  811   1HG   LYS 118          1HG       LYS 118 -15.057  17.200  17.324
  812   2HG   LYS 118          2HG       LYS 118 -15.556  18.618  16.403
  813   1HD   LYS 118          1HD       LYS 118 -17.404  16.267  16.479
  814   2HD   LYS 118          2HD       LYS 118 -17.296  17.288  17.913
  815   1HE   LYS 118          1HE       LYS 118 -17.508  19.219  16.033
  816   2HE   LYS 118          2HE       LYS 118 -18.406  17.921  15.223
  817    H    HIS 119           H        HIS 119 -13.643  19.546  16.108
  818    HA   HIS 119           HA       HIS 119 -15.490  21.503  15.079
  819   1HB   HIS 119          1HB       HIS 119 -13.004  21.604  16.810
  820   2HB   HIS 119          2HB       HIS 119 -14.020  23.014  16.518
  821    HD1  HIS 119           HD1      HIS 119 -16.792  22.146  16.849
  822    HD2  HIS 119           HD2      HIS 119 -13.778  20.486  19.205
  823    HE1  HIS 119           HE1      HIS 119 -17.929  21.188  18.900
  824    H    LEU 120           H        LEU 120 -12.247  20.553  14.189
  825    HA   LEU 120           HA       LEU 120 -11.186  22.820  12.947
  826   1HB   LEU 120          1HB       LEU 120 -10.101  20.609  13.190
  827   2HB   LEU 120          2HB       LEU 120 -11.202  19.940  11.984
  828    HG   LEU 120           HG       LEU 120 -10.327  21.521  10.305
  829   1HD1  LEU 120          1HD1      LEU 120  -8.985  22.604  12.720
  830   2HD1  LEU 120          2HD1      LEU 120  -8.007  22.559  11.252
  831   3HD1  LEU 120          3HD1      LEU 120  -9.535  23.439  11.266
  832   1HD2  LEU 120          1HD2      LEU 120  -8.922  19.347  11.500
  833   2HD2  LEU 120          2HD2      LEU 120  -8.809  19.927   9.838
  834   3HD2  LEU 120          3HD2      LEU 120  -7.732  20.577  11.074
  835    H    ASP 121           H        ASP 121 -12.203  24.172  11.511
  836    HA   ASP 121           HA       ASP 121 -14.557  23.793  10.093
  837   1HB   ASP 121          1HB       ASP 121 -13.533  25.936  10.159
  838   2HB   ASP 121          2HB       ASP 121 -12.018  25.321   9.497
  839    H    TYR 122           H        TYR 122 -11.299  22.729   9.165
  840    HA   TYR 122           HA       TYR 122 -11.835  21.936   6.484
  841   1HB   TYR 122          1HB       TYR 122  -9.745  21.891   8.338
  842   2HB   TYR 122          2HB       TYR 122 -10.016  20.191   7.957
  843    HD1  TYR 122           HD1      TYR 122 -10.627  19.901   5.271
  844    HD2  TYR 122           HD2      TYR 122  -8.128  22.919   7.029
  845    HE1  TYR 122           HE1      TYR 122  -9.467  20.205   3.100
  846    HE2  TYR 122           HE2      TYR 122  -6.969  23.224   4.859
  847    HH   TYR 122           HH       TYR 122  -6.563  22.029   2.809
  848    H    LEU 123           H        LEU 123 -12.500  20.355   9.563
  849    HA   LEU 123           HA       LEU 123 -13.420  17.882   8.183
  850   1HB   LEU 123          1HB       LEU 123 -12.597  18.743  10.918
  851   2HB   LEU 123          2HB       LEU 123 -13.775  17.434  10.822
  852    HG   LEU 123           HG       LEU 123 -11.538  17.151   8.931
  853   1HD1  LEU 123          1HD1      LEU 123 -10.759  18.159  11.346
  854   2HD1  LEU 123          2HD1      LEU 123 -10.749  16.430  11.690
  855   3HD1  LEU 123          3HD1      LEU 123  -9.770  17.072  10.372
  856   1HD2  LEU 123          1HD2      LEU 123 -13.461  15.532   9.900
  857   2HD2  LEU 123          2HD2      LEU 123 -11.911  14.917   9.326
  858   3HD2  LEU 123          3HD2      LEU 123 -12.179  15.161  11.052
  859    H    GLN 124           H        GLN 124 -14.628  20.711   9.871
  860    HA   GLN 124           HA       GLN 124 -17.278  19.724  10.457
  861   1HB   GLN 124          1HB       GLN 124 -15.682  22.113  10.698
  862   2HB   GLN 124          2HB       GLN 124 -17.278  22.537  10.079
  863   1HG   GLN 124          1HG       GLN 124 -18.368  21.467  11.939
  864   2HG   GLN 124          2HG       GLN 124 -16.853  20.748  12.486
  865   2HE2  GLN 124          2HE2      GLN 124 -17.376  21.951  14.584
  866   1HE2  GLN 124          1HE2      GLN 124 -16.934  23.585  14.700
  867    H    ASN 125           H        ASN 125 -15.763  20.986   7.571
  868    HA   ASN 125           HA       ASN 125 -18.129  21.871   6.190
  869   1HB   ASN 125          1HB       ASN 125 -15.408  21.926   5.832
  870   2HB   ASN 125          2HB       ASN 125 -15.899  20.748   4.615
  871   2HD2  ASN 125          2HD2      ASN 125 -17.765  21.506   3.141
  872   1HD2  ASN 125          1HD2      ASN 125 -17.824  23.154   2.738
  873    H    ARG 126           H        ARG 126 -17.227  18.764   7.152
  874    HA   ARG 126           HA       ARG 126 -18.216  17.318   4.796
  875   1HB   ARG 126          1HB       ARG 126 -17.345  16.591   7.602
  876   2HB   ARG 126          2HB       ARG 126 -17.915  15.382   6.452
  877   1HG   ARG 126          1HG       ARG 126 -16.120  16.722   4.906
  878   2HG   ARG 126          2HG       ARG 126 -15.372  16.903   6.493
  879   1HD   ARG 126          2HD       ARG 126 -14.558  14.835   5.444
  880   2HD   ARG 126          1HD       ARG 126 -15.604  14.412   6.814
  881    HE   ARG 126           HE       ARG 126 -17.146  14.713   4.383
  882   1HH1  ARG 126          1HH1      ARG 126 -15.175  12.611   6.279
  883   2HH1  ARG 126          2HH1      ARG 126 -15.717  11.171   5.484
  884   1HH2  ARG 126          1HH2      ARG 126 -17.786  12.850   3.267
  885   2HH2  ARG 126          2HH2      ARG 126 -17.194  11.306   3.782
  886    H    VAL 127           H        VAL 127 -19.815  19.119   7.027
  887    HA   VAL 127           HA       VAL 127 -21.952  17.264   7.777
  888    HB   VAL 127           HB       VAL 127 -22.923  19.321   8.736
  889   1HG1  VAL 127          1HG1      VAL 127 -20.027  18.662   9.101
  890   2HG1  VAL 127          2HG1      VAL 127 -20.661  20.095   9.910
  891   3HG1  VAL 127          3HG1      VAL 127 -21.363  18.512  10.243
  892   1HG2  VAL 127          1HG2      VAL 127 -21.722  20.576   6.597
  893   2HG2  VAL 127          2HG2      VAL 127 -22.399  21.402   8.001
  894   3HG2  VAL 127          3HG2      VAL 127 -20.674  21.041   7.938
  895    H    ILE 128           H        ILE 128 -24.287  17.927   7.180
  896    HA   ILE 128           HA       ILE 128 -24.385  18.570   4.253
  897    HB   ILE 128           HB       ILE 128 -26.275  16.999   6.036
  898   1HG1  ILE 128          1HG1      ILE 128 -25.174  15.290   4.152
  899   2HG1  ILE 128          2HG1      ILE 128 -23.808  16.304   4.617
  900   1HG2  ILE 128          1HG2      ILE 128 -26.915  18.229   3.706
  901   2HG2  ILE 128          2HG2      ILE 128 -26.279  16.708   3.082
  902   3HG2  ILE 128          3HG2      ILE 128 -27.630  16.700   4.215
  903   1HD1  ILE 128          1HD1      ILE 128 -24.559  15.865   7.051
  904   2HD1  ILE 128          2HD1      ILE 128 -25.532  14.559   6.376
  905   3HD1  ILE 128          3HD1      ILE 128 -23.778  14.537   6.194

  No H/Q in entry =         905
  Start of MODEL   10
    1    H2   PRO   1           H2       PRO   1   2.706   6.543  30.651
    2    H3   PRO   1           H3       PRO   1   4.273   6.089  30.168
    3    HA   PRO   1           HA       PRO   1   4.300   7.809  28.782
    4   1HB   PRO   1          1HB       PRO   1   2.337   7.351  26.931
    5   2HB   PRO   1          2HB       PRO   1   3.843   6.416  26.998
    6   1HG   PRO   1          2HG       PRO   1   1.130   5.726  28.022
    7   2HG   PRO   1          1HG       PRO   1   2.320   4.701  27.207
    8   1HD   PRO   1          1HD       PRO   1   1.923   4.674  29.898
    9   2HD   PRO   1          2HD       PRO   1   3.485   4.297  29.143
   10    H    THR   2           H        THR   2   3.565   9.913  28.832
   11    HA   THR   2           HA       THR   2   0.900  10.417  30.080
   12    HB   THR   2           HB       THR   2   3.450  12.009  29.704
   13    HG1  THR   2           HG1      THR   2   2.150  10.659  31.755
   14   1HG2  THR   2          1HG2      THR   2   1.351  13.406  29.412
   15   2HG2  THR   2          2HG2      THR   2   0.925  12.970  31.067
   16   3HG2  THR   2          3HG2      THR   2   2.394  13.893  30.748
   17    H    VAL   3           H        VAL   3  -0.673  11.602  28.968
   18    HA   VAL   3           HA       VAL   3   0.048  12.656  26.258
   19    HB   VAL   3           HB       VAL   3  -2.341  10.951  27.042
   20   1HG1  VAL   3          1HG1      VAL   3  -2.415  12.834  25.149
   21   2HG1  VAL   3          2HG1      VAL   3  -1.604  11.577  24.215
   22   3HG1  VAL   3          3HG1      VAL   3  -3.192  11.267  24.917
   23   1HG2  VAL   3          1HG2      VAL   3   0.020   9.893  26.791
   24   2HG2  VAL   3          2HG2      VAL   3  -1.313   9.168  25.891
   25   3HG2  VAL   3          3HG2      VAL   3  -0.173  10.237  25.072
   26    H    GLU   4           H        GLU   4  -0.255  14.850  26.633
   27    HA   GLU   4           HA       GLU   4  -2.410  15.824  28.375
   28   1HB   GLU   4          1HB       GLU   4   0.036  16.706  27.872
   29   2HB   GLU   4          2HB       GLU   4  -0.764  17.530  26.532
   30   1HG   GLU   4          1HG       GLU   4  -2.357  18.559  28.113
   31   2HG   GLU   4          2HG       GLU   4  -1.563  17.730  29.454
   32    H    TYR   5           H        TYR   5  -4.478  15.927  27.573
   33    HA   TYR   5           HA       TYR   5  -4.915  16.174  24.651
   34   1HB   TYR   5          2HB       TYR   5  -7.215  15.606  25.265
   35   2HB   TYR   5          1HB       TYR   5  -6.106  14.518  26.098
   36    HD1  TYR   5           HD1      TYR   5  -8.188  17.576  26.505
   37    HD2  TYR   5           HD2      TYR   5  -5.949  14.486  28.478
   38    HE1  TYR   5           HE1      TYR   5  -9.113  18.299  28.689
   39    HE2  TYR   5           HE2      TYR   5  -6.875  15.209  30.662
   40    HH   TYR   5           HH       TYR   5  -8.251  16.594  31.703
   41    H    LEU   6           H        LEU   6  -5.996  17.943  23.707
   42    HA   LEU   6           HA       LEU   6  -6.678  20.259  25.479
   43   1HB   LEU   6          1HB       LEU   6  -4.358  20.001  23.974
   44   2HB   LEU   6          2HB       LEU   6  -5.409  20.943  22.919
   45    HG   LEU   6           HG       LEU   6  -4.605  21.599  25.766
   46   1HD1  LEU   6          1HD1      LEU   6  -3.556  22.268  23.201
   47   2HD1  LEU   6          2HD1      LEU   6  -4.310  23.721  23.858
   48   3HD1  LEU   6          3HD1      LEU   6  -3.050  22.890  24.772
   49   1HD2  LEU   6          1HD2      LEU   6  -6.701  22.826  23.959
   50   2HD2  LEU   6          2HD2      LEU   6  -6.926  22.180  25.585
   51   3HD2  LEU   6          3HD2      LEU   6  -6.018  23.673  25.347
   52    H    ASN   7           H        ASN   7  -8.683  21.063  24.912
   53    HA   ASN   7           HA       ASN   7 -10.265  19.946  22.811
   54   1HB   ASN   7          1HB       ASN   7 -11.089  21.045  24.872
   55   2HB   ASN   7          2HB       ASN   7 -10.489  22.592  24.281
   56   2HD2  ASN   7          2HD2      ASN   7 -12.890  23.208  24.450
   57   1HD2  ASN   7          1HD2      ASN   7 -13.895  22.832  23.136
   58    H    TYR   8           H        TYR   8 -10.149  20.360  20.640
   59    HA   TYR   8           HA       TYR   8  -8.359  22.244  19.457
   60   1HB   TYR   8          1HB       TYR   8  -9.119  20.330  18.232
   61   2HB   TYR   8          2HB       TYR   8 -10.812  20.742  18.508
   62    HD1  TYR   8           HD1      TYR   8 -11.695  22.938  17.511
   63    HD2  TYR   8           HD2      TYR   8  -7.976  21.143  16.329
   64    HE1  TYR   8           HE1      TYR   8 -11.716  24.272  15.421
   65    HE2  TYR   8           HE2      TYR   8  -7.997  22.478  14.238
   66    HH   TYR   8           HH       TYR   8  -8.980  24.526  13.375
   67    H    GLU   9           H        GLU   9 -11.781  22.468  20.354
   68    HA   GLU   9           HA       GLU   9 -12.410  24.915  19.014
   69   1HB   GLU   9          1HB       GLU   9 -13.776  23.067  20.384
   70   2HB   GLU   9          2HB       GLU   9 -13.562  24.232  21.691
   71   1HG   GLU   9          2HG       GLU   9 -15.646  24.736  20.547
   72   2HG   GLU   9          1HG       GLU   9 -14.484  26.010  20.175
   73    H    THR  10           H        THR  10 -10.845  24.229  22.113
   74    HA   THR  10           HA       THR  10 -10.961  26.831  23.270
   75    HB   THR  10           HB       THR  10  -8.949  24.565  23.418
   76    HG1  THR  10           HG1      THR  10 -11.280  25.319  24.776
   77   1HG2  THR  10          1HG2      THR  10  -8.896  27.257  24.566
   78   2HG2  THR  10          2HG2      THR  10  -8.800  25.988  25.788
   79   3HG2  THR  10          3HG2      THR  10  -7.616  26.046  24.482
   80    H    LEU  11           H        LEU  11  -8.646  25.373  20.989
   81    HA   LEU  11           HA       LEU  11  -6.751  27.519  20.956
   82   1HB   LEU  11          1HB       LEU  11  -6.351  25.265  20.058
   83   2HB   LEU  11          2HB       LEU  11  -7.594  25.517  18.833
   84    HG   LEU  11           HG       LEU  11  -6.308  27.196  17.729
   85   1HD1  LEU  11          1HD1      LEU  11  -4.635  27.157  20.249
   86   2HD1  LEU  11          2HD1      LEU  11  -4.059  27.892  18.753
   87   3HD1  LEU  11          3HD1      LEU  11  -5.505  28.518  19.544
   88   1HD2  LEU  11          1HD2      LEU  11  -4.910  24.703  18.535
   89   2HD2  LEU  11          2HD2      LEU  11  -5.290  25.310  16.924
   90   3HD2  LEU  11          3HD2      LEU  11  -3.902  25.951  17.803
   91    H    ASP  12           H        ASP  12  -9.771  26.968  19.180
   92    HA   ASP  12           HA       ASP  12  -9.426  29.303  17.446
   93   1HB   ASP  12          1HB       ASP  12 -11.698  27.403  18.098
   94   2HB   ASP  12          2HB       ASP  12 -11.839  28.691  16.902
   95    H    ASP  13           H        ASP  13 -11.297  28.501  20.373
   96    HA   ASP  13           HA       ASP  13 -12.776  30.939  20.567
   97   1HB   ASP  13          1HB       ASP  13 -11.783  28.849  22.512
   98   2HB   ASP  13          2HB       ASP  13 -12.768  30.209  23.050
   99    H    GLN  14           H        GLN  14  -9.755  29.968  22.245
  100    HA   GLN  14           HA       GLN  14  -9.269  32.578  23.375
  101   1HB   GLN  14          1HB       GLN  14  -7.351  30.304  22.770
  102   2HB   GLN  14          2HB       GLN  14  -7.131  31.566  23.983
  103   1HG   GLN  14          1HG       GLN  14  -9.694  30.233  24.310
  104   2HG   GLN  14          2HG       GLN  14  -8.364  29.076  24.369
  105   2HE2  GLN  14          2HE2      GLN  14  -6.341  30.279  25.677
  106   1HE2  GLN  14          1HE2      GLN  14  -6.817  30.877  27.194
  107    H    GLY  15           H        GLY  15  -8.840  31.294  20.212
  108   1HA   GLY  15          2HA       GLY  15  -7.918  33.762  19.116
  109   2HA   GLY  15          1HA       GLY  15  -7.870  32.209  18.280
  110    H    TRP  16           H        TRP  16  -6.193  30.891  20.247
  111    HA   TRP  16           HA       TRP  16  -3.684  32.464  20.331
  112   1HB   TRP  16          1HB       TRP  16  -4.947  30.217  21.696
  113   2HB   TRP  16          2HB       TRP  16  -3.266  29.870  21.292
  114    HD1  TRP  16           HD1      TRP  16  -2.531  30.077  23.838
  115    HE1  TRP  16           HE1      TRP  16  -2.115  32.127  25.344
  116    HE3  TRP  16           HE3      TRP  16  -4.850  33.698  21.072
  117    HZ2  TRP  16           HZ2      TRP  16  -2.685  34.927  25.372
  118    HZ3  TRP  16           HZ3      TRP  16  -4.896  36.044  21.864
  119    HH2  TRP  16           HH2      TRP  16  -3.818  36.663  24.008
  120    H    ASP  17           H        ASP  17  -1.646  31.043  19.750
  121    HA   ASP  17           HA       ASP  17  -1.935  30.246  16.935
  122   1HB   ASP  17          1HB       ASP  17   0.222  30.825  18.913
  123   2HB   ASP  17          2HB       ASP  17   0.648  29.791  17.549
  124    H    MET  18           H        MET  18  -0.492  28.170  16.380
  125    HA   MET  18           HA       MET  18  -1.831  25.892  17.606
  126   1HB   MET  18          1HB       MET  18  -1.029  26.294  15.178
  127   2HB   MET  18          2HB       MET  18   0.572  25.850  15.772
  128   1HG   MET  18          1HG       MET  18  -0.847  23.814  16.817
  129   2HG   MET  18          2HG       MET  18  -1.857  24.162  15.415
  130   1HE   MET  18          1HE       MET  18  -1.545  23.598  13.275
  131   2HE   MET  18          2HE       MET  18  -0.314  24.812  12.934
  132   3HE   MET  18          3HE       MET  18  -0.067  23.148  12.414
  133    H    ASP  19           H        ASP  19   1.556  27.064  17.545
  134    HA   ASP  19           HA       ASP  19   2.035  25.492  20.052
  135   1HB   ASP  19          1HB       ASP  19   4.292  24.966  19.024
  136   2HB   ASP  19          2HB       ASP  19   2.924  24.223  18.195
  137    H    ASP  20           H        ASP  20   1.951  28.500  18.712
  138    HA   ASP  20           HA       ASP  20   4.458  29.629  19.654
  139   1HB   ASP  20          1HB       ASP  20   2.434  30.354  17.958
  140   2HB   ASP  20          2HB       ASP  20   2.075  31.358  19.363
  141    H    ASP  21           H        ASP  21   1.084  29.837  20.869
  142    HA   ASP  21           HA       ASP  21   1.940  31.108  23.362
  143   1HB   ASP  21          1HB       ASP  21  -0.613  30.091  22.137
  144   2HB   ASP  21          2HB       ASP  21  -0.580  30.565  23.835
  145    H    ASP  22           H        ASP  22   2.107  27.949  22.277
  146    HA   ASP  22           HA       ASP  22   2.260  25.860  23.383
  147   1HB   ASP  22          1HB       ASP  22   3.114  27.779  25.576
  148   2HB   ASP  22          2HB       ASP  22   3.516  26.064  25.501
  149    H    LEU  23           H        LEU  23  -0.357  26.646  23.326
  150    HA   LEU  23           HA       LEU  23  -1.874  27.158  25.563
  151   1HB   LEU  23          1HB       LEU  23  -2.248  25.020  23.444
  152   2HB   LEU  23          2HB       LEU  23  -3.532  25.580  24.515
  153    HG   LEU  23           HG       LEU  23  -2.525  27.951  23.549
  154   1HD1  LEU  23          1HD1      LEU  23  -1.867  25.780  21.668
  155   2HD1  LEU  23          2HD1      LEU  23  -2.768  27.111  20.942
  156   3HD1  LEU  23          3HD1      LEU  23  -1.234  27.424  21.755
  157   1HD2  LEU  23          1HD2      LEU  23  -4.919  27.036  23.738
  158   2HD2  LEU  23          2HD2      LEU  23  -4.594  28.116  22.382
  159   3HD2  LEU  23          3HD2      LEU  23  -4.673  26.374  22.122
  160    H    PHE  24           H        PHE  24  -0.538  23.946  24.717
  161    HA   PHE  24           HA       PHE  24  -1.528  22.397  26.822
  162   1HB   PHE  24          1HB       PHE  24   1.066  22.489  25.287
  163   2HB   PHE  24          2HB       PHE  24   0.825  21.275  26.542
  164    HD1  PHE  24           HD1      PHE  24  -1.546  20.042  26.425
  165    HD2  PHE  24           HD2      PHE  24   0.409  21.961  23.117
  166    HE1  PHE  24           HE1      PHE  24  -2.874  18.668  24.844
  167    HE2  PHE  24           HE2      PHE  24  -0.920  20.589  21.536
  168    HZ   PHE  24           HZ       PHE  24  -2.561  18.942  22.399
  169    H    GLU  25           H        GLU  25   0.820  24.965  26.904
  170    HA   GLU  25           HA       GLU  25   1.551  24.294  29.728
  171   1HB   GLU  25          1HB       GLU  25   2.749  26.031  27.556
  172   2HB   GLU  25          2HB       GLU  25   3.341  26.052  29.218
  173   1HG   GLU  25          1HG       GLU  25   3.721  23.593  29.079
  174   2HG   GLU  25          2HG       GLU  25   3.207  23.632  27.393
  175    H    LYS  26           H        LYS  26   0.522  27.059  27.691
  176    HA   LYS  26           HA       LYS  26   0.120  28.874  29.898
  177   1HB   LYS  26          1HB       LYS  26   0.462  29.388  27.437
  178   2HB   LYS  26          2HB       LYS  26  -1.197  28.854  27.165
  179   1HG   LYS  26          1HG       LYS  26  -1.712  31.038  27.561
  180   2HG   LYS  26          2HG       LYS  26  -1.543  30.579  29.255
  181   1HD   LYS  26          1HD       LYS  26   0.124  32.084  29.429
  182   2HD   LYS  26          2HD       LYS  26   1.075  31.080  28.335
  183   1HE   LYS  26          1HE       LYS  26  -0.935  32.731  26.949
  184   2HE   LYS  26          2HE       LYS  26   0.311  33.673  27.790
  185   1HZ   LYS  26          1HZ       LYS  26   1.223  31.285  26.399
  186   2HZ   LYS  26          2HZ       LYS  26   0.694  32.552  25.399
  187   3HZ   LYS  26          3HZ       LYS  26   1.948  32.817  26.511
  188    H    ALA  27           H        ALA  27  -1.798  26.309  28.520
  189    HA   ALA  27           HA       ALA  27  -4.408  27.177  29.344
  190   1HB   ALA  27          1HB       ALA  27  -4.021  25.417  27.705
  191   2HB   ALA  27          2HB       ALA  27  -3.160  24.446  28.901
  192   3HB   ALA  27          3HB       ALA  27  -4.894  24.723  29.072
  193    H    ALA  28           H        ALA  28  -1.852  25.328  30.993
  194    HA   ALA  28           HA       ALA  28  -3.335  24.494  33.275
  195   1HB   ALA  28          1HB       ALA  28  -0.581  24.726  32.360
  196   2HB   ALA  28          3HB       ALA  28  -0.708  25.056  34.087
  197   3HB   ALA  28          2HB       ALA  28  -1.295  23.525  33.438
  198    H    ASP  29           H        ASP  29  -1.989  27.609  32.394
  199    HA   ASP  29           HA       ASP  29  -2.194  28.743  35.092
  200   1HB   ASP  29          1HB       ASP  29  -0.672  29.294  32.979
  201   2HB   ASP  29          2HB       ASP  29  -2.019  30.359  32.574
  202    H    ALA  30           H        ALA  30  -4.076  28.800  32.091
  203    HA   ALA  30           HA       ALA  30  -6.026  30.742  33.020
  204   1HB   ALA  30          1HB       ALA  30  -5.530  28.947  30.713
  205   2HB   ALA  30          3HB       ALA  30  -7.223  29.354  30.999
  206   3HB   ALA  30          2HB       ALA  30  -6.041  30.635  30.731
  207    H    GLY  31           H        GLY  31  -5.511  27.408  33.658
  208   1HA   GLY  31          2HA       GLY  31  -7.677  27.195  35.486
  209   2HA   GLY  31          1HA       GLY  31  -6.794  25.821  34.818
  210    H    LEU  32           H        LEU  32  -7.410  26.310  32.065
  211    HA   LEU  32           HA       LEU  32 -10.087  26.734  31.370
  212   1HB   LEU  32          1HB       LEU  32  -7.800  25.099  30.369
  213   2HB   LEU  32          2HB       LEU  32  -9.385  24.779  29.662
  214    HG   LEU  32           HG       LEU  32  -8.303  27.587  29.921
  215   1HD1  LEU  32          1HD1      LEU  32  -7.779  25.505  27.808
  216   2HD1  LEU  32          2HD1      LEU  32  -7.807  27.217  27.391
  217   3HD1  LEU  32          3HD1      LEU  32  -6.640  26.617  28.568
  218   1HD2  LEU  32          1HD2      LEU  32 -10.462  26.221  28.302
  219   2HD2  LEU  32          2HD2      LEU  32 -10.651  27.520  29.480
  220   3HD2  LEU  32          3HD2      LEU  32  -9.882  27.843  27.926
  221    H    ASP  33           H        ASP  33 -11.424  24.653  30.457
  222    HA   ASP  33           HA       ASP  33 -12.372  23.254  32.815
  223   1HB   ASP  33          1HB       ASP  33 -13.333  23.992  30.340
  224   2HB   ASP  33          2HB       ASP  33 -13.133  22.250  30.151
  225    H    GLY  34           H        GLY  34 -12.518  20.831  32.896
  226   1HA   GLY  34          2HA       GLY  34 -11.154  18.897  33.214
  227   2HA   GLY  34          1HA       GLY  34  -9.914  19.635  32.199
  228    H    GLU  35           H        GLU  35 -13.198  19.622  31.068
  229    HA   GLU  35           HA       GLU  35 -12.994  17.114  29.573
  230   1HB   GLU  35          2HB       GLU  35 -14.926  19.421  29.211
  231   2HB   GLU  35          1HB       GLU  35 -15.207  17.718  28.851
  232   1HG   GLU  35          1HG       GLU  35 -14.433  17.789  31.557
  233   2HG   GLU  35          2HG       GLU  35 -15.554  19.135  31.357
  234    H    ASP  36           H        ASP  36 -11.404  19.944  29.166
  235    HA   ASP  36           HA       ASP  36 -11.406  19.710  26.169
  236   1HB   ASP  36          1HB       ASP  36 -11.477  22.083  28.043
  237   2HB   ASP  36          2HB       ASP  36 -10.912  22.253  26.382
  238    H    TYR  37           H        TYR  37  -9.575  20.848  29.024
  239    HA   TYR  37           HA       TYR  37  -7.054  20.044  27.609
  240   1HB   TYR  37          1HB       TYR  37  -7.077  22.408  27.586
  241   2HB   TYR  37          2HB       TYR  37  -7.821  22.504  29.182
  242    HD1  TYR  37           HD1      TYR  37  -4.749  20.995  27.621
  243    HD2  TYR  37           HD2      TYR  37  -6.435  23.163  30.924
  244    HE1  TYR  37           HE1      TYR  37  -2.503  21.158  28.661
  245    HE2  TYR  37           HE2      TYR  37  -4.190  23.326  31.964
  246    HH   TYR  37           HH       TYR  37  -1.327  22.595  30.276
  247    H    GLY  38           H        GLY  38  -5.521  18.985  28.931
  248   1HA   GLY  38          2HA       GLY  38  -6.544  17.763  31.367
  249   2HA   GLY  38          1HA       GLY  38  -5.263  18.934  31.682
  250    H    THR  39           H        THR  39  -3.987  17.061  32.443
  251    HA   THR  39           HA       THR  39  -2.403  15.903  30.240
  252    HB   THR  39           HB       THR  39  -1.978  15.252  33.127
  253    HG1  THR  39           HG1      THR  39  -2.145  17.281  33.613
  254   1HG2  THR  39          1HG2      THR  39  -0.400  14.529  31.365
  255   2HG2  THR  39          2HG2      THR  39  -0.161  16.213  30.898
  256   3HG2  THR  39          3HG2      THR  39   0.361  15.656  32.489
  257    H    MET  40           H        MET  40  -3.186  14.032  29.328
  258    HA   MET  40           HA       MET  40  -4.860  12.185  30.915
  259   1HB   MET  40          1HB       MET  40  -4.690  13.025  28.256
  260   2HB   MET  40          2HB       MET  40  -4.090  11.366  28.221
  261   1HG   MET  40          1HG       MET  40  -6.111  10.593  29.382
  262   2HG   MET  40          2HG       MET  40  -6.702  12.251  29.488
  263   1HE   MET  40          1HE       MET  40  -7.624   9.437  28.376
  264   2HE   MET  40          2HE       MET  40  -8.114   9.450  26.683
  265   3HE   MET  40          3HE       MET  40  -6.452   9.047  27.109
  266    H    GLU  41           H        GLU  41  -2.797  11.783  32.323
  267    HA   GLU  41           HA       GLU  41  -0.640  10.207  31.166
  268   1HB   GLU  41          1HB       GLU  41  -1.580  10.658  34.018
  269   2HB   GLU  41          2HB       GLU  41  -0.020   9.974  33.561
  270   1HG   GLU  41          1HG       GLU  41   0.747  12.004  32.661
  271   2HG   GLU  41          2HG       GLU  41  -0.885  12.647  32.477
  272    H    VAL  42           H        VAL  42  -0.992   8.124  30.486
  273    HA   VAL  42           HA       VAL  42  -2.702   6.367  32.217
  274    HB   VAL  42           HB       VAL  42  -3.584   5.390  30.114
  275   1HG1  VAL  42          1HG1      VAL  42  -4.779   7.270  31.184
  276   2HG1  VAL  42          2HG1      VAL  42  -3.820   8.412  30.242
  277   3HG1  VAL  42          3HG1      VAL  42  -4.948   7.327  29.430
  278   1HG2  VAL  42          1HG2      VAL  42  -1.664   7.379  28.926
  279   2HG2  VAL  42          2HG2      VAL  42  -1.906   5.685  28.503
  280   3HG2  VAL  42          3HG2      VAL  42  -3.101   6.892  28.028
  281    H    ALA  43           H        ALA  43  -2.007   4.165  32.298
  282    HA   ALA  43           HA       ALA  43   0.805   3.686  32.076
  283   1HB   ALA  43          1HB       ALA  43  -1.616   2.375  32.935
  284   2HB   ALA  43          3HB       ALA  43  -0.629   1.238  32.015
  285   3HB   ALA  43          2HB       ALA  43   0.045   2.047  33.430
  286    H    GLU  44           H        GLU  44   1.911   2.246  30.581
  287    HA   GLU  44           HA       GLU  44   1.322   2.643  27.823
  288   1HB   GLU  44          1HB       GLU  44   3.533   2.104  28.796
  289   2HB   GLU  44          2HB       GLU  44   2.949   0.496  29.225
  290   1HG   GLU  44          1HG       GLU  44   2.311   0.654  26.547
  291   2HG   GLU  44          2HG       GLU  44   3.838   1.534  26.621
  292    H    GLY  45           H        GLY  45  -0.465   1.821  26.811
  293   1HA   GLY  45          2HA       GLY  45  -1.197  -1.022  27.388
  294   2HA   GLY  45          1HA       GLY  45  -1.419  -0.251  25.817
  295    H    GLU  46           H        GLU  46  -2.169   2.138  27.884
  296    HA   GLU  46           HA       GLU  46  -4.886   1.264  28.640
  297   1HB   GLU  46          1HB       GLU  46  -2.966   3.021  29.616
  298   2HB   GLU  46          2HB       GLU  46  -4.174   4.095  28.910
  299   1HG   GLU  46          1HG       GLU  46  -5.065   3.801  31.035
  300   2HG   GLU  46          2HG       GLU  46  -5.863   2.488  30.170
  301    H    TYR  47           H        TYR  47  -6.328   1.226  26.928
  302    HA   TYR  47           HA       TYR  47  -6.195   2.608  24.495
  303   1HB   TYR  47          1HB       TYR  47  -8.477   1.637  26.225
  304   2HB   TYR  47          2HB       TYR  47  -8.757   2.310  24.620
  305    HD1  TYR  47           HD1      TYR  47  -6.876   1.366  22.834
  306    HD2  TYR  47           HD2      TYR  47  -8.376  -0.686  26.296
  307    HE1  TYR  47           HE1      TYR  47  -6.257  -0.808  21.814
  308    HE2  TYR  47           HE2      TYR  47  -7.757  -2.860  25.276
  309    HH   TYR  47           HH       TYR  47  -6.306  -3.760  23.609
  310    H    ILE  48           H        ILE  48  -5.926   4.800  24.293
  311    HA   ILE  48           HA       ILE  48  -6.325   6.854  26.077
  312    HB   ILE  48           HB       ILE  48  -6.813   6.701  23.094
  313   1HG1  ILE  48          1HG1      ILE  48  -4.532   6.188  23.894
  314   2HG1  ILE  48          2HG1      ILE  48  -4.565   7.707  22.998
  315   1HG2  ILE  48          1HG2      ILE  48  -6.550   9.157  24.857
  316   2HG2  ILE  48          2HG2      ILE  48  -6.581   9.168  23.093
  317   3HG2  ILE  48          3HG2      ILE  48  -8.007   8.656  23.997
  318   1HD1  ILE  48          1HD1      ILE  48  -4.852   8.875  25.249
  319   2HD1  ILE  48          2HD1      ILE  48  -4.463   7.327  25.998
  320   3HD1  ILE  48          3HD1      ILE  48  -3.276   8.132  24.971
  321    H    LEU  49           H        LEU  49  -8.781   6.437  23.517
  322    HA   LEU  49           HA       LEU  49 -10.868   7.867  24.599
  323   1HB   LEU  49          1HB       LEU  49 -11.201   6.923  22.485
  324   2HB   LEU  49          2HB       LEU  49 -10.684   5.321  23.010
  325    HG   LEU  49           HG       LEU  49 -13.125   6.467  24.295
  326   1HD1  LEU  49          1HD1      LEU  49 -12.865   6.353  21.469
  327   2HD1  LEU  49          2HD1      LEU  49 -13.876   4.987  21.944
  328   3HD1  LEU  49          3HD1      LEU  49 -14.335   6.627  22.404
  329   1HD2  LEU  49          1HD2      LEU  49 -11.772   4.006  24.219
  330   2HD2  LEU  49          2HD2      LEU  49 -13.354   4.315  24.933
  331   3HD2  LEU  49          3HD2      LEU  49 -13.235   3.754  23.266
  332    H    GLU  50           H        GLU  50  -9.675   4.762  25.742
  333    HA   GLU  50           HA       GLU  50 -11.988   4.216  27.453
  334   1HB   GLU  50          1HB       GLU  50 -10.156   2.667  26.336
  335   2HB   GLU  50          2HB       GLU  50  -9.253   3.025  27.808
  336   1HG   GLU  50          1HG       GLU  50 -10.417   1.259  28.660
  337   2HG   GLU  50          2HG       GLU  50 -11.711   2.443  28.844
  338    H    ALA  51           H        ALA  51  -8.564   5.084  28.111
  339    HA   ALA  51           HA       ALA  51  -8.762   5.482  30.889
  340   1HB   ALA  51          1HB       ALA  51  -7.079   7.462  29.616
  341   2HB   ALA  51          2HB       ALA  51  -6.939   5.916  28.777
  342   3HB   ALA  51          3HB       ALA  51  -6.599   6.016  30.505
  343    H    ALA  52           H        ALA  52  -9.487   7.727  28.246
  344    HA   ALA  52           HA       ALA  52 -10.156   9.943  30.029
  345   1HB   ALA  52          1HB       ALA  52  -9.921   9.338  27.164
  346   2HB   ALA  52          3HB       ALA  52 -11.233  10.459  27.530
  347   3HB   ALA  52          2HB       ALA  52  -9.583  10.843  28.020
  348    H    GLU  53           H        GLU  53 -11.865   7.277  28.524
  349    HA   GLU  53           HA       GLU  53 -14.537   8.295  28.677
  350   1HB   GLU  53          1HB       GLU  53 -13.113   5.836  28.133
  351   2HB   GLU  53          2HB       GLU  53 -14.532   5.500  29.122
  352   1HG   GLU  53          1HG       GLU  53 -14.766   7.325  26.743
  353   2HG   GLU  53          2HG       GLU  53 -14.786   5.577  26.514
  354    H    ALA  54           H        ALA  54 -12.411   6.794  31.049
  355    HA   ALA  54           HA       ALA  54 -14.457   6.329  33.058
  356   1HB   ALA  54          1HB       ALA  54 -11.616   6.759  33.820
  357   2HB   ALA  54          3HB       ALA  54 -11.909   5.510  32.610
  358   3HB   ALA  54          2HB       ALA  54 -12.684   5.406  34.190
  359    H    GLN  55           H        GLN  55 -13.028   9.162  31.874
  360    HA   GLN  55           HA       GLN  55 -13.359  10.609  34.471
  361   1HB   GLN  55          2HB       GLN  55 -12.019  11.365  31.853
  362   2HB   GLN  55          1HB       GLN  55 -11.987  12.327  33.330
  363   1HG   GLN  55          1HG       GLN  55 -10.948  10.327  34.488
  364   2HG   GLN  55          2HG       GLN  55 -10.790   9.578  32.900
  365   2HE2  GLN  55          2HE2      GLN  55  -9.305  11.775  35.099
  366   1HE2  GLN  55          1HE2      GLN  55  -8.118  12.376  34.045
  367    H    GLY  56           H        GLY  56 -14.715  10.216  31.297
  368   1HA   GLY  56          2HA       GLY  56 -16.699  12.349  31.932
  369   2HA   GLY  56          1HA       GLY  56 -17.002  10.978  30.865
  370    H    TYR  57           H        TYR  57 -14.130  11.519  29.801
  371    HA   TYR  57           HA       TYR  57 -14.259  14.087  28.455
  372   1HB   TYR  57          1HB       TYR  57 -12.633  11.551  28.134
  373   2HB   TYR  57          2HB       TYR  57 -12.345  12.990  27.159
  374    HD1  TYR  57           HD1      TYR  57 -13.586  13.926  30.352
  375    HD2  TYR  57           HD2      TYR  57 -10.010  12.642  28.347
  376    HE1  TYR  57           HE1      TYR  57 -12.215  14.886  32.181
  377    HE2  TYR  57           HE2      TYR  57  -8.641  13.603  30.177
  378    HH   TYR  57           HH       TYR  57  -9.786  14.367  33.124
  379    H    ASP  58           H        ASP  58 -15.072  14.539  26.406
  380    HA   ASP  58           HA       ASP  58 -16.661  12.393  25.094
  381   1HB   ASP  58          1HB       ASP  58 -17.468  14.760  25.755
  382   2HB   ASP  58          2HB       ASP  58 -16.521  15.325  24.377
  383    H    TRP  59           H        TRP  59 -16.236  11.729  22.968
  384    HA   TRP  59           HA       TRP  59 -13.916  12.990  21.561
  385   1HB   TRP  59          2HB       TRP  59 -14.418  10.034  22.052
  386   2HB   TRP  59          1HB       TRP  59 -13.073  10.698  21.124
  387    HD1  TRP  59           HD1      TRP  59 -14.419  10.413  24.680
  388    HE1  TRP  59           HE1      TRP  59 -12.542  11.022  26.334
  389    HE3  TRP  59           HE3      TRP  59 -10.837  12.017  21.410
  390    HZ2  TRP  59           HZ2      TRP  59  -9.872  12.041  26.285
  391    HZ3  TRP  59           HZ3      TRP  59  -8.637  12.798  22.242
  392    HH2  TRP  59           HH2      TRP  59  -8.151  12.812  24.673
  393    HA   PRO  60           HA       PRO  60 -16.390  12.650  17.967
  394   1HB   PRO  60          1HB       PRO  60 -14.580  11.895  16.049
  395   2HB   PRO  60          2HB       PRO  60 -14.648  13.530  16.736
  396   1HG   PRO  60          2HG       PRO  60 -12.821  11.264  17.396
  397   2HG   PRO  60          1HG       PRO  60 -12.463  12.990  17.242
  398   1HD   PRO  60          1HD       PRO  60 -12.766  11.749  19.638
  399   2HD   PRO  60          2HD       PRO  60 -13.171  13.458  19.378
  400    H    PHE  61           H        PHE  61 -17.841  11.057  17.518
  401    HA   PHE  61           HA       PHE  61 -18.751   8.903  17.197
  402   1HB   PHE  61          1HB       PHE  61 -16.120   9.040  15.787
  403   2HB   PHE  61          2HB       PHE  61 -16.915   7.468  15.881
  404    HD1  PHE  61           HD1      PHE  61 -19.441   7.396  15.240
  405    HD2  PHE  61           HD2      PHE  61 -16.777  10.583  14.143
  406    HE1  PHE  61           HE1      PHE  61 -20.993   8.070  13.427
  407    HE2  PHE  61           HE2      PHE  61 -18.330  11.257  12.330
  408    HZ   PHE  61           HZ       PHE  61 -20.438  10.000  11.973
  409    H    SER  62           H        SER  62 -18.220   6.460  17.620
  410    HA   SER  62           HA       SER  62 -16.255   6.100  19.833
  411   1HB   SER  62          1HB       SER  62 -19.208   6.173  19.964
  412   2HB   SER  62          2HB       SER  62 -18.472   4.796  20.784
  413    HG   SER  62           HG       SER  62 -16.978   6.644  21.563
  414    H    CYS  63           H        CYS  63 -15.530   4.958  17.614
  415    HA   CYS  63           HA       CYS  63 -16.643   2.700  16.484
  416   1HB   CYS  63          1HB       CYS  63 -13.870   3.540  17.251
  417   2HB   CYS  63          2HB       CYS  63 -14.099   1.914  16.608
  418    H    ARG  64           H        ARG  64 -17.088   0.604  17.148
  419    HA   ARG  64           HA       ARG  64 -16.451  -0.072  19.997
  420   1HB   ARG  64          1HB       ARG  64 -18.699  -0.659  18.088
  421   2HB   ARG  64          2HB       ARG  64 -18.416  -1.737  19.455
  422   1HG   ARG  64          1HG       ARG  64 -19.335  -0.262  20.891
  423   2HG   ARG  64          2HG       ARG  64 -18.298   1.036  20.296
  424   1HD   ARG  64          1HD       ARG  64 -19.927   1.858  18.906
  425   2HD   ARG  64          2HD       ARG  64 -20.501   0.238  18.469
  426    HE   ARG  64           HE       ARG  64 -21.054   1.379  21.184
  427   1HH1  ARG  64          1HH1      ARG  64 -21.846  -1.356  19.745
  428   2HH1  ARG  64          2HH1      ARG  64 -23.547  -1.079  19.577
  429   1HH2  ARG  64          1HH2      ARG  64 -23.338   2.302  20.318
  430   2HH2  ARG  64          2HH2      ARG  64 -24.391   0.992  19.902
  431    H    ALA  65           H        ALA  65 -17.253  -2.009  17.094
  432    HA   ALA  65           HA       ALA  65 -15.001  -3.843  17.815
  433   1HB   ALA  65          1HB       ALA  65 -17.379  -4.289  15.989
  434   2HB   ALA  65          3HB       ALA  65 -16.315  -5.520  16.669
  435   3HB   ALA  65          2HB       ALA  65 -17.409  -4.621  17.720
  436    H    GLY  66           H        GLY  66 -15.680  -1.349  15.686
  437   1HA   GLY  66          2HA       GLY  66 -15.092  -1.865  13.131
  438   2HA   GLY  66          1HA       GLY  66 -13.538  -2.270  13.859
  439    H    ALA  67           H        ALA  67 -12.455  -0.517  12.827
  440    HA   ALA  67           HA       ALA  67 -12.750   2.062  14.220
  441   1HB   ALA  67          1HB       ALA  67 -10.639   0.628  13.393
  442   2HB   ALA  67          2HB       ALA  67 -10.866   1.610  11.946
  443   3HB   ALA  67          3HB       ALA  67 -10.574   2.388  13.501
  444    H    CYS  68           H        CYS  68 -12.929   4.099  12.977
  445    HA   CYS  68           HA       CYS  68 -14.625   3.759  10.533
  446   1HB   CYS  68          1HB       CYS  68 -15.475   5.992  11.180
  447   2HB   CYS  68          2HB       CYS  68 -15.619   4.851  12.517
  448    H    ALA  69           H        ALA  69 -11.748   3.621  10.317
  449    HA   ALA  69           HA       ALA  69 -10.096   4.506   8.869
  450   1HB   ALA  69          1HB       ALA  69 -12.539   5.208   7.838
  451   2HB   ALA  69          3HB       ALA  69 -10.997   5.561   7.055
  452   3HB   ALA  69          2HB       ALA  69 -11.784   6.788   8.049
  453    H    ASN  70           H        ASN  70  -9.261   5.134  11.161
  454    HA   ASN  70           HA       ASN  70  -8.062   6.747  12.412
  455   1HB   ASN  70          1HB       ASN  70  -8.314   7.683   9.708
  456   2HB   ASN  70          2HB       ASN  70  -8.465   9.061  10.797
  457   2HD2  ASN  70          2HD2      ASN  70  -6.216   9.469   9.626
  458   1HD2  ASN  70          1HD2      ASN  70  -4.855   8.838  10.419
  459    H    CYS  71           H        CYS  71  -8.822   7.817  14.200
  460    HA   CYS  71           HA       CYS  71 -11.615   8.531  14.458
  461   1HB   CYS  71          1HB       CYS  71  -9.621   7.836  16.133
  462   2HB   CYS  71          2HB       CYS  71  -9.533   9.587  16.316
  463    H    ALA  72           H        ALA  72 -10.719  11.030  16.068
  464    HA   ALA  72           HA       ALA  72 -10.167  12.911  13.823
  465   1HB   ALA  72          1HB       ALA  72 -12.725  12.310  14.786
  466   2HB   ALA  72          3HB       ALA  72 -12.312  13.836  15.568
  467   3HB   ALA  72          2HB       ALA  72 -12.284  13.711  13.810
  468    H    SER  73           H        SER  73  -8.107  13.045  15.122
  469    HA   SER  73           HA       SER  73  -8.420  15.018  17.350
  470   1HB   SER  73          1HB       SER  73  -8.082  12.504  17.984
  471   2HB   SER  73          2HB       SER  73  -6.421  12.763  17.451
  472    HG   SER  73           HG       SER  73  -7.829  14.153  19.476
  473    H    ILE  74           H        ILE  74  -5.865  15.584  17.939
  474    HA   ILE  74           HA       ILE  74  -4.300  15.863  15.429
  475    HB   ILE  74           HB       ILE  74  -5.462  18.109  17.096
  476   1HG1  ILE  74          1HG1      ILE  74  -6.879  17.144  15.290
  477   2HG1  ILE  74          2HG1      ILE  74  -6.424  18.814  14.960
  478   1HG2  ILE  74          1HG2      ILE  74  -2.976  18.354  16.431
  479   2HG2  ILE  74          2HG2      ILE  74  -3.569  18.461  14.773
  480   3HG2  ILE  74          3HG2      ILE  74  -4.071  19.657  15.968
  481   1HD1  ILE  74          1HD1      ILE  74  -4.427  17.812  13.662
  482   2HD1  ILE  74          2HD1      ILE  74  -5.316  16.290  13.727
  483   3HD1  ILE  74          3HD1      ILE  74  -6.020  17.689  12.914
  484    H    VAL  75           H        VAL  75  -2.784  14.479  16.633
  485    HA   VAL  75           HA       VAL  75  -1.739  15.036  19.219
  486    HB   VAL  75           HB       VAL  75  -1.457  12.963  17.844
  487   1HG1  VAL  75          1HG1      VAL  75  -0.650  14.710  15.876
  488   2HG1  VAL  75          2HG1      VAL  75   0.887  14.042  16.427
  489   3HG1  VAL  75          3HG1      VAL  75  -0.382  12.966  15.844
  490   1HG2  VAL  75          1HG2      VAL  75   0.914  14.399  19.022
  491   2HG2  VAL  75          2HG2      VAL  75   0.006  13.039  19.682
  492   3HG2  VAL  75          3HG2      VAL  75   1.103  12.791  18.324
  493    H    LYS  76           H        LYS  76  -0.639  16.863  19.865
  494    HA   LYS  76           HA       LYS  76   0.529  18.684  17.873
  495   1HB   LYS  76          1HB       LYS  76  -0.713  19.022  20.234
  496   2HB   LYS  76          2HB       LYS  76   0.953  18.986  20.812
  497   1HG   LYS  76          1HG       LYS  76   1.005  20.612  18.519
  498   2HG   LYS  76          2HG       LYS  76  -0.445  21.098  19.396
  499   1HD   LYS  76          1HD       LYS  76   0.760  22.043  21.066
  500   2HD   LYS  76          2HD       LYS  76   1.863  20.668  21.153
  501   1HE   LYS  76          1HE       LYS  76   2.219  22.213  18.688
  502   2HE   LYS  76          2HE       LYS  76   2.513  23.177  20.147
  503   1HZ   LYS  76          1HZ       LYS  76   3.510  20.453  20.228
  504   2HZ   LYS  76          2HZ       LYS  76   4.295  21.459  19.108
  505   3HZ   LYS  76          3HZ       LYS  76   4.247  21.890  20.749
  506    H    GLU  77           H        GLU  77   1.605  16.003  19.707
  507    HA   GLU  77           HA       GLU  77   4.245  16.009  18.642
  508   1HB   GLU  77          1HB       GLU  77   3.810  17.957  20.618
  509   2HB   GLU  77          2HB       GLU  77   4.685  16.667  21.442
  510   1HG   GLU  77          1HG       GLU  77   6.567  16.914  20.124
  511   2HG   GLU  77          2HG       GLU  77   5.644  17.480  18.731
  512    H    GLY  78           H        GLY  78   5.430  14.154  19.382
  513   1HA   GLY  78          2HA       GLY  78   4.103  12.509  21.484
  514   2HA   GLY  78          1HA       GLY  78   5.774  12.313  20.953
  515    H    GLU  79           H        GLU  79   4.029  10.115  21.016
  516    HA   GLU  79           HA       GLU  79   3.011   9.689  18.275
  517   1HB   GLU  79          1HB       GLU  79   5.334   9.266  17.923
  518   2HB   GLU  79          2HB       GLU  79   5.479   8.392  19.447
  519   1HG   GLU  79          1HG       GLU  79   4.118   6.573  18.601
  520   2HG   GLU  79          2HG       GLU  79   3.754   7.475  17.130
  521    H    ILE  80           H        ILE  80   1.439   8.078  18.262
  522    HA   ILE  80           HA       ILE  80   0.843   6.778  20.883
  523    HB   ILE  80           HB       ILE  80  -0.771   7.246  18.354
  524   1HG1  ILE  80          1HG1      ILE  80  -1.429   8.460  21.000
  525   2HG1  ILE  80          2HG1      ILE  80  -0.050   9.126  20.124
  526   1HG2  ILE  80          1HG2      ILE  80  -1.489   5.990  21.015
  527   2HG2  ILE  80          2HG2      ILE  80  -2.697   6.586  19.876
  528   3HG2  ILE  80          3HG2      ILE  80  -1.625   5.265  19.414
  529   1HD1  ILE  80          1HD1      ILE  80  -2.510   8.639  18.528
  530   2HD1  ILE  80          2HD1      ILE  80  -2.589   9.952  19.701
  531   3HD1  ILE  80          3HD1      ILE  80  -1.357   9.970  18.440
  532    H    ASP  81           H        ASP  81  -0.141   4.501  20.623
  533    HA   ASP  81           HA       ASP  81   1.347   2.974  18.508
  534   1HB   ASP  81          1HB       ASP  81   2.077   2.946  21.021
  535   2HB   ASP  81          2HB       ASP  81   0.665   1.913  21.245
  536    H    MET  82           H        MET  82   0.236   1.099  17.688
  537    HA   MET  82           HA       MET  82  -2.443   0.403  18.653
  538   1HB   MET  82          1HB       MET  82  -2.346   2.614  17.127
  539   2HB   MET  82          2HB       MET  82  -2.391   1.406  15.841
  540   1HG   MET  82          1HG       MET  82  -4.300   0.824  17.977
  541   2HG   MET  82          2HG       MET  82  -4.594   2.393  17.226
  542   1HE   MET  82          1HE       MET  82  -6.922   0.955  16.822
  543   2HE   MET  82          2HE       MET  82  -7.021  -0.429  15.725
  544   3HE   MET  82          3HE       MET  82  -6.184  -0.581  17.267
  545    H    ASP  83           H        ASP  83  -3.469  -1.137  16.851
  546    HA   ASP  83           HA       ASP  83  -1.577  -3.284  16.400
  547   1HB   ASP  83          1HB       ASP  83  -4.128  -3.298  16.844
  548   2HB   ASP  83          2HB       ASP  83  -4.295  -2.948  15.124
  549    H    MET  84           H        MET  84  -1.293  -4.253  14.151
  550    HA   MET  84           HA       MET  84   0.074  -2.650  12.359
  551   1HB   MET  84          1HB       MET  84  -0.136  -5.122  12.296
  552   2HB   MET  84          2HB       MET  84  -1.795  -4.958  11.720
  553   1HG   MET  84          1HG       MET  84  -0.409  -3.355   9.957
  554   2HG   MET  84          2HG       MET  84   0.739  -4.662  10.251
  555   1HE   MET  84          1HE       MET  84   0.893  -5.191   8.198
  556   2HE   MET  84          2HE       MET  84   0.410  -6.885   8.242
  557   3HE   MET  84          3HE       MET  84  -0.295  -5.806   7.040
  558    H    GLN  85           H        GLN  85  -0.487  -1.088  10.864
  559    HA   GLN  85           HA       GLN  85  -3.254  -0.929   9.834
  560   1HB   GLN  85          1HB       GLN  85  -3.382   1.467  10.681
  561   2HB   GLN  85          2HB       GLN  85  -3.454   0.230  11.936
  562   1HG   GLN  85          1HG       GLN  85  -1.744   1.339  12.919
  563   2HG   GLN  85          2HG       GLN  85  -0.728   0.681  11.638
  564   2HE2  GLN  85          2HE2      GLN  85  -2.738   3.531  12.475
  565   1HE2  GLN  85          1HE2      GLN  85  -1.928   4.603  11.440
  566    H    GLN  86           H        GLN  86  -3.381   0.402   7.948
  567    HA   GLN  86           HA       GLN  86  -1.014   1.914   7.056
  568   1HB   GLN  86          1HB       GLN  86  -0.949  -0.731   6.613
  569   2HB   GLN  86          2HB       GLN  86  -1.925  -0.262   5.220
  570   1HG   GLN  86          1HG       GLN  86   0.030   1.631   5.117
  571   2HG   GLN  86          2HG       GLN  86   0.931   0.276   5.797
  572   2HE2  GLN  86          2HE2      GLN  86  -0.834   1.393   2.939
  573   1HE2  GLN  86          1HE2      GLN  86  -0.357   0.116   1.926
  574    H    ILE  87           H        ILE  87  -3.304   3.169   7.457
  575    HA   ILE  87           HA       ILE  87  -4.665   3.314   4.785
  576    HB   ILE  87           HB       ILE  87  -5.750   3.903   7.559
  577   1HG1  ILE  87          1HG1      ILE  87  -6.321   1.539   5.749
  578   2HG1  ILE  87          2HG1      ILE  87  -5.199   1.484   7.108
  579   1HG2  ILE  87          1HG2      ILE  87  -7.005   3.800   4.804
  580   2HG2  ILE  87          2HG2      ILE  87  -7.948   3.782   6.294
  581   3HG2  ILE  87          3HG2      ILE  87  -6.943   5.178   5.903
  582   1HD1  ILE  87          1HD1      ILE  87  -7.303   2.515   8.396
  583   2HD1  ILE  87          2HD1      ILE  87  -8.179   1.680   7.112
  584   3HD1  ILE  87          3HD1      ILE  87  -7.112   0.775   8.186
  585    H    LEU  88           H        LEU  88  -4.278   5.334   7.733
  586    HA   LEU  88           HA       LEU  88  -4.555   7.844   6.429
  587   1HB   LEU  88          1HB       LEU  88  -3.331   8.638   8.511
  588   2HB   LEU  88          2HB       LEU  88  -4.720   7.598   8.826
  589    HG   LEU  88           HG       LEU  88  -2.353   5.987   8.429
  590   1HD1  LEU  88          1HD1      LEU  88  -1.369   8.227   9.293
  591   2HD1  LEU  88          2HD1      LEU  88  -2.163   7.825  10.816
  592   3HD1  LEU  88          3HD1      LEU  88  -0.929   6.752  10.154
  593   1HD2  LEU  88          1HD2      LEU  88  -4.698   5.890   9.854
  594   2HD2  LEU  88          2HD2      LEU  88  -3.335   4.800  10.102
  595   3HD2  LEU  88          3HD2      LEU  88  -3.522   6.223  11.126
  596    H    SER  89           H        SER  89  -2.862   9.406   5.868
  597    HA   SER  89           HA       SER  89  -0.480   8.095   4.675
  598   1HB   SER  89          1HB       SER  89  -2.277  10.019   3.854
  599   2HB   SER  89          2HB       SER  89  -0.893  10.994   4.352
  600    HG   SER  89           HG       SER  89  -0.711  10.344   2.183
  601    H    ASP  90           H        ASP  90   1.625   8.560   5.359
  602    HA   ASP  90           HA       ASP  90   2.219   9.314   7.981
  603   1HB   ASP  90          1HB       ASP  90   3.749   8.254   6.338
  604   2HB   ASP  90          2HB       ASP  90   3.854   9.785   5.469
  605    H    GLU  91           H        GLU  91   2.224  11.415   5.100
  606    HA   GLU  91           HA       GLU  91   2.968  13.848   6.335
  607   1HB   GLU  91          1HB       GLU  91   1.318  13.019   3.961
  608   2HB   GLU  91          2HB       GLU  91   1.416  14.728   4.386
  609   1HG   GLU  91          1HG       GLU  91   3.904  14.556   4.344
  610   2HG   GLU  91          2HG       GLU  91   3.754  12.880   3.815
  611    H    GLU  92           H        GLU  92   0.007  12.036   6.526
  612    HA   GLU  92           HA       GLU  92  -1.727  14.214   7.355
  613   1HB   GLU  92          1HB       GLU  92  -2.011  11.634   6.498
  614   2HB   GLU  92          2HB       GLU  92  -2.281  11.438   8.230
  615   1HG   GLU  92          1HG       GLU  92  -3.930  13.352   8.093
  616   2HG   GLU  92          2HG       GLU  92  -3.765  13.282   6.338
  617    H    VAL  93           H        VAL  93   0.098  11.674   9.083
  618    HA   VAL  93           HA       VAL  93  -0.742  12.507  11.727
  619    HB   VAL  93           HB       VAL  93   1.519  10.833  10.600
  620   1HG1  VAL  93          1HG1      VAL  93   0.975  11.750  13.376
  621   2HG1  VAL  93          2HG1      VAL  93   1.373  10.044  13.178
  622   3HG1  VAL  93          3HG1      VAL  93   2.500  11.281  12.625
  623   1HG2  VAL  93          1HG2      VAL  93  -1.164  10.313  10.802
  624   2HG2  VAL  93          2HG2      VAL  93   0.091   9.074  10.805
  625   3HG2  VAL  93          3HG2      VAL  93  -0.567   9.665  12.330
  626    H    GLU  94           H        GLU  94   1.726  13.554   9.498
  627    HA   GLU  94           HA       GLU  94   3.156  15.085  11.615
  628   1HB   GLU  94          1HB       GLU  94   3.758  13.814   9.085
  629   2HB   GLU  94          2HB       GLU  94   4.261  15.505   9.043
  630   1HG   GLU  94          1HG       GLU  94   5.113  14.770  11.534
  631   2HG   GLU  94          2HG       GLU  94   5.322  13.259  10.648
  632    H    GLU  95           H        GLU  95   1.436  15.575   8.524
  633    HA   GLU  95           HA       GLU  95   1.559  18.511   8.819
  634   1HB   GLU  95          1HB       GLU  95   1.595  16.818   6.710
  635   2HB   GLU  95          2HB       GLU  95  -0.134  17.162   6.775
  636   1HG   GLU  95          1HG       GLU  95   0.149  19.310   6.086
  637   2HG   GLU  95          2HG       GLU  95   1.582  19.539   7.089
  638    H    LYS  96           H        LYS  96  -0.809  15.885   9.110
  639    HA   LYS  96           HA       LYS  96  -2.943  17.850   9.792
  640   1HB   LYS  96          1HB       LYS  96  -2.759  15.357   8.421
  641   2HB   LYS  96          2HB       LYS  96  -3.768  15.100   9.844
  642   1HG   LYS  96          2HG       LYS  96  -5.466  16.052   8.706
  643   2HG   LYS  96          1HG       LYS  96  -4.587  17.578   8.803
  644   1HD   LYS  96          1HD       LYS  96  -3.993  15.541   6.653
  645   2HD   LYS  96          2HD       LYS  96  -5.247  16.763   6.449
  646   1HE   LYS  96          1HE       LYS  96  -2.858  18.029   7.455
  647   2HE   LYS  96          2HE       LYS  96  -2.465  17.086   6.005
  648   1HZ   LYS  96          1HZ       LYS  96  -4.673  18.063   5.132
  649   2HZ   LYS  96          2HZ       LYS  96  -4.459  19.238   6.338
  650   3HZ   LYS  96          3HZ       LYS  96  -3.290  19.049   5.121
  651    H    ASP  97           H        ASP  97  -0.653  15.817  11.304
  652    HA   ASP  97           HA       ASP  97  -0.369  15.154  13.558
  653   1HB   ASP  97          1HB       ASP  97  -1.985  17.650  13.487
  654   2HB   ASP  97          2HB       ASP  97  -1.958  16.786  15.026
  655    H    VAL  98           H        VAL  98  -2.847  14.216  11.846
  656    HA   VAL  98           HA       VAL  98  -4.826  13.569  13.918
  657    HB   VAL  98           HB       VAL  98  -5.344  14.109  11.528
  658   1HG1  VAL  98          1HG1      VAL  98  -3.419  11.941  11.150
  659   2HG1  VAL  98          2HG1      VAL  98  -4.906  11.682  10.239
  660   3HG1  VAL  98          3HG1      VAL  98  -3.972  13.159  10.001
  661   1HG2  VAL  98          1HG2      VAL  98  -6.733  12.548  13.095
  662   2HG2  VAL  98          2HG2      VAL  98  -7.113  12.571  11.373
  663   3HG2  VAL  98          3HG2      VAL  98  -6.151  11.254  12.045
  664    H    ARG  99           H        ARG  99  -5.508  11.210  14.132
  665    HA   ARG  99           HA       ARG  99  -3.779   9.025  13.502
  666   1HB   ARG  99          1HB       ARG  99  -2.577  10.717  15.244
  667   2HB   ARG  99          2HB       ARG  99  -3.440   9.686  16.385
  668   1HG   ARG  99          1HG       ARG  99  -2.143   7.868  15.918
  669   2HG   ARG  99          2HG       ARG  99  -2.045   8.255  14.201
  670   1HD   ARG  99          1HD       ARG  99  -0.354   9.967  14.638
  671   2HD   ARG  99          2HD       ARG  99  -0.518   9.720  16.387
  672    HE   ARG  99           HE       ARG  99   0.964   7.906  16.078
  673   1HH1  ARG  99          1HH1      ARG  99  -1.228   6.235  14.908
  674   2HH1  ARG  99          2HH1      ARG  99  -0.560   5.776  13.378
  675   1HH2  ARG  99          1HH2      ARG  99   1.902   8.217  13.424
  676   2HH2  ARG  99          2HH2      ARG  99   1.213   6.899  12.537
  677    H    LEU 100           H        LEU 100  -4.193   7.239  15.462
  678    HA   LEU 100           HA       LEU 100  -7.163   7.200  15.751
  679   1HB   LEU 100          1HB       LEU 100  -5.312   5.384  14.820
  680   2HB   LEU 100          2HB       LEU 100  -5.567   4.828  16.474
  681    HG   LEU 100           HG       LEU 100  -8.090   5.549  15.240
  682   1HD1  LEU 100          1HD1      LEU 100  -6.191   4.303  13.492
  683   2HD1  LEU 100          2HD1      LEU 100  -7.440   3.124  13.890
  684   3HD1  LEU 100          3HD1      LEU 100  -7.887   4.674  13.178
  685   1HD2  LEU 100          1HD2      LEU 100  -6.871   3.464  16.879
  686   2HD2  LEU 100          2HD2      LEU 100  -8.541   4.033  16.852
  687   3HD2  LEU 100          3HD2      LEU 100  -8.011   2.801  15.708
  688    H    THR 101           H        THR 101  -8.052   7.488  17.762
  689    HA   THR 101           HA       THR 101  -6.233   7.291  20.142
  690    HB   THR 101           HB       THR 101  -8.246   8.885  20.960
  691    HG1  THR 101           HG1      THR 101  -9.285   8.678  18.913
  692   1HG2  THR 101          1HG2      THR 101  -5.644   9.330  19.641
  693   2HG2  THR 101          2HG2      THR 101  -6.718  10.728  19.648
  694   3HG2  THR 101          3HG2      THR 101  -6.256   9.962  21.169
  695    H    CYS 102           H        CYS 102  -9.166   6.161  18.669
  696    HA   CYS 102           HA       CYS 102 -10.641   5.358  20.979
  697   1HB   CYS 102          1HB       CYS 102 -10.478   4.659  18.080
  698   2HB   CYS 102          2HB       CYS 102 -11.391   3.574  19.129
  699    H    ILE 103           H        ILE 103  -9.525   2.769  18.892
  700    HA   ILE 103           HA       ILE 103  -8.674   1.232  21.269
  701    HB   ILE 103           HB       ILE 103  -8.709   0.470  18.332
  702   1HG1  ILE 103          1HG1      ILE 103 -10.937  -0.369  20.086
  703   2HG1  ILE 103          2HG1      ILE 103 -10.904   1.352  19.705
  704   1HG2  ILE 103          1HG2      ILE 103  -8.105  -0.896  20.838
  705   2HG2  ILE 103          2HG2      ILE 103  -9.399  -1.699  19.948
  706   3HG2  ILE 103          3HG2      ILE 103  -7.833  -1.433  19.180
  707   1HD1  ILE 103          1HD1      ILE 103 -10.322   0.095  17.276
  708   2HD1  ILE 103          2HD1      ILE 103 -11.589  -0.903  17.991
  709   3HD1  ILE 103          3HD1      ILE 103 -11.865   0.820  17.731
  710    H    GLY 104           H        GLY 104  -6.766   2.816  21.546
  711   1HA   GLY 104          2HA       GLY 104  -4.656   3.222  19.815
  712   2HA   GLY 104          1HA       GLY 104  -4.380   1.585  20.411
  713    H    SER 105           H        SER 105  -2.506   2.168  21.597
  714    HA   SER 105           HA       SER 105  -3.048   3.832  24.035
  715   1HB   SER 105          1HB       SER 105  -1.129   2.323  24.916
  716   2HB   SER 105          2HB       SER 105  -2.704   1.570  24.667
  717    HG   SER 105           HG       SER 105  -0.582   0.656  23.708
  718    HA   PRO 106           HA       PRO 106   0.172   6.496  22.649
  719   1HB   PRO 106          1HB       PRO 106   0.941   7.550  25.057
  720   2HB   PRO 106          2HB       PRO 106  -0.564   8.007  24.236
  721   1HG   PRO 106          1HG       PRO 106  -0.131   6.106  26.493
  722   2HG   PRO 106          2HG       PRO 106  -1.435   7.276  26.242
  723   1HD   PRO 106          1HD       PRO 106  -1.698   4.605  25.760
  724   2HD   PRO 106          2HD       PRO 106  -2.620   5.848  24.889
  725    H    ALA 107           H        ALA 107   2.321   6.112  22.195
  726    HA   ALA 107           HA       ALA 107   3.737   4.032  23.781
  727   1HB   ALA 107          1HB       ALA 107   3.381   4.414  21.115
  728   2HB   ALA 107          3HB       ALA 107   4.921   5.243  21.344
  729   3HB   ALA 107          2HB       ALA 107   4.761   3.544  21.786
  730    H    ALA 108           H        ALA 108   4.752   7.038  22.144
  731    HA   ALA 108           HA       ALA 108   7.111   7.530  23.570
  732   1HB   ALA 108          1HB       ALA 108   6.388   8.789  21.609
  733   2HB   ALA 108          3HB       ALA 108   6.644   9.919  22.939
  734   3HB   ALA 108          2HB       ALA 108   5.007   9.437  22.494
  735    H    ASP 109           H        ASP 109   7.563   8.813  25.466
  736    HA   ASP 109           HA       ASP 109   5.836   8.423  27.701
  737   1HB   ASP 109          1HB       ASP 109   8.356   9.775  27.014
  738   2HB   ASP 109          2HB       ASP 109   7.492  10.538  28.349
  739    H    GLU 110           H        GLU 110   6.823  11.686  26.686
  740    HA   GLU 110           HA       GLU 110   4.189  12.738  27.505
  741   1HB   GLU 110          1HB       GLU 110   6.627  13.647  27.897
  742   2HB   GLU 110          2HB       GLU 110   6.435  14.317  26.278
  743   1HG   GLU 110          1HG       GLU 110   4.810  15.806  26.939
  744   2HG   GLU 110          2HG       GLU 110   4.186  14.730  28.189
  745    H    VAL 111           H        VAL 111   2.558  12.804  26.010
  746    HA   VAL 111           HA       VAL 111   3.277  13.429  23.165
  747    HB   VAL 111           HB       VAL 111   1.192  11.490  24.223
  748   1HG1  VAL 111          1HG1      VAL 111   2.115  12.138  21.407
  749   2HG1  VAL 111          2HG1      VAL 111   1.004  10.837  21.832
  750   3HG1  VAL 111          3HG1      VAL 111   0.537  12.516  22.097
  751   1HG2  VAL 111          1HG2      VAL 111   4.033  11.222  23.657
  752   2HG2  VAL 111          2HG2      VAL 111   2.928  10.056  24.386
  753   3HG2  VAL 111          3HG2      VAL 111   3.073  10.155  22.632
  754    H    LYS 112           H        LYS 112   2.329  15.358  22.631
  755    HA   LYS 112           HA       LYS 112  -0.041  16.301  24.153
  756   1HB   LYS 112          1HB       LYS 112   2.073  17.461  22.368
  757   2HB   LYS 112          2HB       LYS 112   0.563  18.348  22.579
  758   1HG   LYS 112          1HG       LYS 112   1.120  18.976  24.678
  759   2HG   LYS 112          2HG       LYS 112   1.610  17.337  25.113
  760   1HD   LYS 112          1HD       LYS 112   3.805  17.748  24.675
  761   2HD   LYS 112          2HD       LYS 112   3.436  18.701  23.236
  762   1HE   LYS 112          1HE       LYS 112   2.529  20.446  25.031
  763   2HE   LYS 112          2HE       LYS 112   3.664  19.590  26.092
  764   1HZ   LYS 112          1HZ       LYS 112   5.228  19.777  24.057
  765   2HZ   LYS 112          2HZ       LYS 112   4.199  21.040  23.576
  766   3HZ   LYS 112          3HZ       LYS 112   5.024  21.134  25.056
  767    H    ILE 113           H        ILE 113  -2.042  16.695  23.151
  768    HA   ILE 113           HA       ILE 113  -2.375  16.409  20.247
  769    HB   ILE 113           HB       ILE 113  -2.213  14.084  21.028
  770   1HG1  ILE 113          1HG1      ILE 113  -5.155  14.456  20.639
  771   2HG1  ILE 113          2HG1      ILE 113  -4.071  15.007  19.361
  772   1HG2  ILE 113          1HG2      ILE 113  -3.269  14.999  23.357
  773   2HG2  ILE 113          2HG2      ILE 113  -4.702  14.275  22.629
  774   3HG2  ILE 113          3HG2      ILE 113  -3.261  13.295  22.902
  775   1HD1  ILE 113          1HD1      ILE 113  -3.459  12.327  20.459
  776   2HD1  ILE 113          2HD1      ILE 113  -4.981  12.442  19.577
  777   3HD1  ILE 113          3HD1      ILE 113  -3.467  12.882  18.786
  778    H    VAL 114           H        VAL 114  -4.691  16.756  19.635
  779    HA   VAL 114           HA       VAL 114  -6.169  18.291  21.746
  780    HB   VAL 114           HB       VAL 114  -5.947  18.772  18.757
  781   1HG1  VAL 114          1HG1      VAL 114  -8.081  19.453  20.160
  782   2HG1  VAL 114          2HG1      VAL 114  -7.031  20.749  20.731
  783   3HG1  VAL 114          3HG1      VAL 114  -7.376  20.586  19.009
  784   1HG2  VAL 114          1HG2      VAL 114  -4.287  19.536  21.010
  785   2HG2  VAL 114          2HG2      VAL 114  -4.012  19.800  19.288
  786   3HG2  VAL 114          3HG2      VAL 114  -4.960  20.961  20.218
  787    H    TYR 115           H        TYR 115  -8.161  17.405  22.168
  788    HA   TYR 115           HA       TYR 115  -9.229  15.333  20.355
  789   1HB   TYR 115          1HB       TYR 115 -10.202  14.552  22.273
  790   2HB   TYR 115          2HB       TYR 115  -9.050  15.622  23.062
  791    HD1  TYR 115           HD1      TYR 115  -9.890  18.170  23.275
  792    HD2  TYR 115           HD2      TYR 115 -12.438  14.736  22.853
  793    HE1  TYR 115           HE1      TYR 115 -11.769  19.445  24.256
  794    HE2  TYR 115           HE2      TYR 115 -14.322  16.016  23.836
  795    HH   TYR 115           HH       TYR 115 -14.359  19.305  24.115
  796    H    ASN 116           H        ASN 116 -11.572  15.413  19.749
  797    HA   ASN 116           HA       ASN 116 -13.524  16.518  18.974
  798   1HB   ASN 116          1HB       ASN 116 -12.543  18.121  21.045
  799   2HB   ASN 116          2HB       ASN 116 -12.727  19.233  19.690
  800   2HD2  ASN 116          2HD2      ASN 116 -14.486  19.691  21.729
  801   1HD2  ASN 116          1HD2      ASN 116 -16.038  19.115  21.353
  802    H    ALA 117           H        ALA 117 -11.880  15.917  17.058
  803    HA   ALA 117           HA       ALA 117 -10.730  18.231  15.662
  804   1HB   ALA 117          1HB       ALA 117  -9.804  15.899  15.665
  805   2HB   ALA 117          3HB       ALA 117 -10.093  16.517  14.039
  806   3HB   ALA 117          2HB       ALA 117 -11.224  15.374  14.761
  807    H    LYS 118           H        LYS 118 -13.860  17.308  16.093
  808    HA   LYS 118           HA       LYS 118 -14.902  17.403  13.384
  809   1HB   LYS 118          2HB       LYS 118 -16.244  17.970  16.048
  810   2HB   LYS 118          1HB       LYS 118 -17.044  17.481  14.554
  811   1HG   LYS 118          1HG       LYS 118 -16.096  15.304  14.634
  812   2HG   LYS 118          2HG       LYS 118 -14.899  15.783  15.837
  813   1HD   LYS 118          2HD       LYS 118 -16.612  14.542  16.994
  814   2HD   LYS 118          1HD       LYS 118 -16.821  16.239  17.422
  815   1HE   LYS 118          1HE       LYS 118 -18.691  16.485  15.955
  816   2HE   LYS 118          2HE       LYS 118 -18.335  14.956  15.130
  817    H    HIS 119           H        HIS 119 -13.846  19.779  15.658
  818    HA   HIS 119           HA       HIS 119 -15.464  21.970  14.545
  819   1HB   HIS 119          2HB       HIS 119 -13.077  22.023  16.417
  820   2HB   HIS 119          1HB       HIS 119 -14.327  23.257  16.252
  821    HD1  HIS 119           HD1      HIS 119 -16.866  22.316  16.817
  822    HD2  HIS 119           HD2      HIS 119 -13.661  20.155  18.378
  823    HE1  HIS 119           HE1      HIS 119 -17.806  20.885  18.682
  824    H    LEU 120           H        LEU 120 -12.634  20.348  13.612
  825    HA   LEU 120           HA       LEU 120 -10.855  22.340  12.733
  826   1HB   LEU 120          1HB       LEU 120 -11.556  19.559  12.113
  827   2HB   LEU 120          2HB       LEU 120 -10.868  20.412  10.731
  828    HG   LEU 120           HG       LEU 120  -9.279  21.200  12.895
  829   1HD1  LEU 120          1HD1      LEU 120 -10.415  19.262  14.110
  830   2HD1  LEU 120          2HD1      LEU 120  -9.607  18.191  12.966
  831   3HD1  LEU 120          3HD1      LEU 120  -8.654  19.200  14.053
  832   1HD2  LEU 120          1HD2      LEU 120  -9.053  19.496  10.481
  833   2HD2  LEU 120          2HD2      LEU 120  -8.043  20.843  11.007
  834   3HD2  LEU 120          3HD2      LEU 120  -7.809  19.240  11.704
  835    H    ASP 121           H        ASP 121 -10.646  23.428  10.666
  836    HA   ASP 121           HA       ASP 121 -13.032  24.588   9.617
  837   1HB   ASP 121          1HB       ASP 121 -11.458  25.458   7.902
  838   2HB   ASP 121          2HB       ASP 121 -10.779  25.583   9.525
  839    H    TYR 122           H        TYR 122 -11.643  21.510   9.046
  840    HA   TYR 122           HA       TYR 122 -12.425  21.129   6.287
  841   1HB   TYR 122          1HB       TYR 122 -10.745  19.860   7.783
  842   2HB   TYR 122          2HB       TYR 122 -12.150  19.007   8.422
  843    HD1  TYR 122           HD1      TYR 122 -10.101  19.631   5.409
  844    HD2  TYR 122           HD2      TYR 122 -13.391  17.424   7.070
  845    HE1  TYR 122           HE1      TYR 122 -10.090  18.127   3.436
  846    HE2  TYR 122           HE2      TYR 122 -13.380  15.922   5.097
  847    HH   TYR 122           HH       TYR 122 -10.969  15.510   3.116
  848    H    LEU 123           H        LEU 123 -14.098  20.877   9.361
  849    HA   LEU 123           HA       LEU 123 -16.476  19.693   7.974
  850   1HB   LEU 123          1HB       LEU 123 -15.510  19.773  10.842
  851   2HB   LEU 123          2HB       LEU 123 -17.123  19.211  10.404
  852    HG   LEU 123           HG       LEU 123 -14.954  18.037   8.789
  853   1HD1  LEU 123          1HD1      LEU 123 -14.353  18.301  11.462
  854   2HD1  LEU 123          2HD1      LEU 123 -15.150  16.728  11.420
  855   3HD1  LEU 123          3HD1      LEU 123 -13.732  17.025  10.415
  856   1HD2  LEU 123          1HD2      LEU 123 -17.446  17.142  10.223
  857   2HD2  LEU 123          2HD2      LEU 123 -17.078  17.079   8.499
  858   3HD2  LEU 123          3HD2      LEU 123 -16.298  15.952   9.608
  859    H    GLN 124           H        GLN 124 -15.370  22.377  10.009
  860    HA   GLN 124           HA       GLN 124 -17.847  23.569  10.663
  861   1HB   GLN 124          1HB       GLN 124 -15.436  24.131  11.358
  862   2HB   GLN 124          2HB       GLN 124 -15.341  25.057   9.858
  863   1HG   GLN 124          2HG       GLN 124 -16.112  26.733  11.234
  864   2HG   GLN 124          1HG       GLN 124 -17.668  26.025  10.797
  865   2HE2  GLN 124          2HE2      GLN 124 -15.926  27.039  13.451
  866   1HE2  GLN 124          1HE2      GLN 124 -16.628  26.053  14.640
  867    H    ASN 125           H        ASN 125 -15.823  24.041   7.768
  868    HA   ASN 125           HA       ASN 125 -17.606  25.932   6.502
  869   1HB   ASN 125          1HB       ASN 125 -15.043  24.913   6.150
  870   2HB   ASN 125          2HB       ASN 125 -15.919  24.295   4.751
  871   2HD2  ASN 125          2HD2      ASN 125 -17.715  26.377   4.215
  872   1HD2  ASN 125          1HD2      ASN 125 -16.860  27.793   3.834
  873    H    ARG 126           H        ARG 126 -17.928  22.617   7.078
  874    HA   ARG 126           HA       ARG 126 -19.310  21.919   4.580
  875   1HB   ARG 126          1HB       ARG 126 -17.939  20.359   6.002
  876   2HB   ARG 126          2HB       ARG 126 -19.170  20.494   7.257
  877   1HG   ARG 126          1HG       ARG 126 -20.508  19.920   4.806
  878   2HG   ARG 126          2HG       ARG 126 -19.163  18.789   4.952
  879   1HD   ARG 126          1HD       ARG 126 -19.926  18.166   7.223
  880   2HD   ARG 126          2HD       ARG 126 -21.280  19.303   7.076
  881    HE   ARG 126           HE       ARG 126 -21.407  17.716   4.776
  882   1HH1  ARG 126          1HH1      ARG 126 -22.331  17.726   8.027
  883   2HH1  ARG 126          2HH1      ARG 126 -22.915  16.096   8.036
  884   1HH2  ARG 126          1HH2      ARG 126 -21.774  15.386   4.840
  885   2HH2  ARG 126          2HH2      ARG 126 -22.598  14.770   6.234
  886    H    VAL 127           H        VAL 127 -20.147  23.315   7.646
  887    HA   VAL 127           HA       VAL 127 -22.928  22.512   7.724
  888    HB   VAL 127           HB       VAL 127 -21.321  24.767   8.958
  889   1HG1  VAL 127          1HG1      VAL 127 -24.180  23.885   9.430
  890   2HG1  VAL 127          2HG1      VAL 127 -23.274  24.875  10.574
  891   3HG1  VAL 127          3HG1      VAL 127 -23.619  25.488   8.957
  892   1HG2  VAL 127          1HG2      VAL 127 -20.785  22.366   9.556
  893   2HG2  VAL 127          2HG2      VAL 127 -21.288  23.365  10.919
  894   3HG2  VAL 127          3HG2      VAL 127 -22.425  22.230  10.192
  895    H    ILE 128           H        ILE 128 -24.769  23.922   7.273
  896    HA   ILE 128           HA       ILE 128 -24.259  25.759   4.976
  897    HB   ILE 128           HB       ILE 128 -26.889  24.682   6.020
  898   1HG1  ILE 128          1HG1      ILE 128 -25.329  22.796   5.665
  899   2HG1  ILE 128          2HG1      ILE 128 -26.602  22.806   4.444
  900   1HG2  ILE 128          1HG2      ILE 128 -26.783  26.550   4.287
  901   2HG2  ILE 128          2HG2      ILE 128 -26.035  25.379   3.200
  902   3HG2  ILE 128          3HG2      ILE 128 -27.674  25.109   3.796
  903   1HD1  ILE 128          1HD1      ILE 128 -24.644  24.419   3.322
  904   2HD1  ILE 128          2HD1      ILE 128 -23.711  23.156   4.122
  905   3HD1  ILE 128          3HD1      ILE 128 -24.929  22.726   2.921

  No H/Q in entry =         905
  Start of MODEL   11
    1    H2   PRO   1           H2       PRO   1   3.895   8.002  30.849
    2    H3   PRO   1           H3       PRO   1   5.005   7.328  29.750
    3    HA   PRO   1           HA       PRO   1   3.648   7.904  28.105
    4   1HB   PRO   1          1HB       PRO   1   1.371   6.423  28.435
    5   2HB   PRO   1          2HB       PRO   1   2.919   5.720  27.930
    6   1HG   PRO   1          1HG       PRO   1   1.626   5.743  30.613
    7   2HG   PRO   1          2HG       PRO   1   2.541   4.456  29.814
    8   1HD   PRO   1          1HD       PRO   1   3.579   6.069  31.756
    9   2HD   PRO   1          2HD       PRO   1   4.558   5.300  30.492
   10    H    THR   2           H        THR   2   3.427  10.112  29.215
   11    HA   THR   2           HA       THR   2   0.690  10.588  30.320
   12    HB   THR   2           HB       THR   2   3.342  12.039  30.394
   13    HG1  THR   2           HG1      THR   2   3.052  11.726  32.599
   14   1HG2  THR   2          1HG2      THR   2   1.484  13.668  29.996
   15   2HG2  THR   2          2HG2      THR   2   0.695  13.066  31.454
   16   3HG2  THR   2          3HG2      THR   2   2.260  13.871  31.566
   17    H    VAL   3           H        VAL   3  -0.768  11.304  28.810
   18    HA   VAL   3           HA       VAL   3   0.251  12.792  26.427
   19    HB   VAL   3           HB       VAL   3  -2.216  11.173  27.082
   20   1HG1  VAL   3          1HG1      VAL   3  -2.932  13.202  25.865
   21   2HG1  VAL   3          2HG1      VAL   3  -1.724  12.879  24.621
   22   3HG1  VAL   3          3HG1      VAL   3  -3.077  11.770  24.848
   23   1HG2  VAL   3          1HG2      VAL   3   0.258  10.556  25.953
   24   2HG2  VAL   3          2HG2      VAL   3  -1.204   9.575  25.843
   25   3HG2  VAL   3          3HG2      VAL   3  -0.813  10.720  24.561
   26    H    GLU   4           H        GLU   4  -1.225  14.604  25.673
   27    HA   GLU   4           HA       GLU   4  -2.604  15.977  27.956
   28   1HB   GLU   4          1HB       GLU   4  -0.121  16.620  27.091
   29   2HB   GLU   4          2HB       GLU   4  -1.076  17.586  25.969
   30   1HG   GLU   4          1HG       GLU   4  -2.126  18.788  27.733
   31   2HG   GLU   4          2HG       GLU   4  -1.589  17.627  28.947
   32    H    TYR   5           H        TYR   5  -4.721  16.153  27.283
   33    HA   TYR   5           HA       TYR   5  -5.311  16.424  24.385
   34   1HB   TYR   5          1HB       TYR   5  -7.596  15.927  25.115
   35   2HB   TYR   5          2HB       TYR   5  -6.481  14.781  25.857
   36    HD1  TYR   5           HD1      TYR   5  -8.454  17.875  26.452
   37    HD2  TYR   5           HD2      TYR   5  -6.171  14.700  28.227
   38    HE1  TYR   5           HE1      TYR   5  -9.240  18.565  28.701
   39    HE2  TYR   5           HE2      TYR   5  -6.955  15.392  30.475
   40    HH   TYR   5           HH       TYR   5  -9.155  16.712  31.325
   41    H    LEU   6           H        LEU   6  -6.102  18.300  23.488
   42    HA   LEU   6           HA       LEU   6  -6.772  20.579  25.317
   43   1HB   LEU   6          1HB       LEU   6  -4.423  20.323  24.006
   44   2HB   LEU   6          2HB       LEU   6  -5.372  21.098  22.741
   45    HG   LEU   6           HG       LEU   6  -4.856  22.128  25.542
   46   1HD1  LEU   6          1HD1      LEU   6  -3.376  22.409  23.255
   47   2HD1  LEU   6          2HD1      LEU   6  -4.435  23.816  23.159
   48   3HD1  LEU   6          3HD1      LEU   6  -3.403  23.584  24.571
   49   1HD2  LEU   6          1HD2      LEU   6  -6.689  23.225  23.390
   50   2HD2  LEU   6          2HD2      LEU   6  -7.206  22.527  24.925
   51   3HD2  LEU   6          3HD2      LEU   6  -6.294  24.037  24.905
   52    H    ASN   7           H        ASN   7  -8.874  21.144  24.844
   53    HA   ASN   7           HA       ASN   7 -10.371  20.305  22.593
   54   1HB   ASN   7          1HB       ASN   7 -11.943  22.029  23.358
   55   2HB   ASN   7          2HB       ASN   7 -11.223  21.228  24.754
   56   2HD2  ASN   7          2HD2      ASN   7 -12.314  23.954  24.767
   57   1HD2  ASN   7          1HD2      ASN   7 -11.025  24.997  25.126
   58    H    TYR   8           H        TYR   8 -10.124  20.897  20.471
   59    HA   TYR   8           HA       TYR   8  -8.302  22.831  19.503
   60   1HB   TYR   8          1HB       TYR   8  -9.089  21.158  18.029
   61   2HB   TYR   8          2HB       TYR   8 -10.776  21.480  18.426
   62    HD1  TYR   8           HD1      TYR   8  -7.849  22.612  16.494
   63    HD2  TYR   8           HD2      TYR   8 -11.963  23.375  17.459
   64    HE1  TYR   8           HE1      TYR   8  -8.003  24.189  14.586
   65    HE2  TYR   8           HE2      TYR   8 -12.120  24.949  15.549
   66    HH   TYR   8           HH       TYR   8 -10.445  26.399  14.221
   67    H    GLU   9           H        GLU   9 -11.453  23.246  20.874
   68    HA   GLU   9           HA       GLU   9 -12.241  25.696  19.607
   69   1HB   GLU   9          1HB       GLU   9 -13.472  23.998  21.185
   70   2HB   GLU   9          2HB       GLU   9 -12.819  25.001  22.481
   71   1HG   GLU   9          1HG       GLU   9 -13.921  26.964  21.613
   72   2HG   GLU   9          2HG       GLU   9 -14.398  26.112  20.145
   73    H    THR  10           H        THR  10 -10.335  25.036  22.553
   74    HA   THR  10           HA       THR  10 -10.005  27.699  23.468
   75    HB   THR  10           HB       THR  10  -8.333  25.181  23.564
   76    HG1  THR  10           HG1      THR  10  -9.009  25.550  25.852
   77   1HG2  THR  10          1HG2      THR  10  -7.470  27.875  24.115
   78   2HG2  THR  10          2HG2      THR  10  -7.511  26.946  25.613
   79   3HG2  THR  10          3HG2      THR  10  -6.556  26.372  24.247
   80    H    LEU  11           H        LEU  11  -8.344  25.903  20.914
   81    HA   LEU  11           HA       LEU  11  -6.224  27.826  20.486
   82   1HB   LEU  11          1HB       LEU  11  -6.159  25.450  19.807
   83   2HB   LEU  11          2HB       LEU  11  -7.488  25.734  18.683
   84    HG   LEU  11           HG       LEU  11  -6.074  27.417  17.499
   85   1HD1  LEU  11          1HD1      LEU  11  -4.085  26.509  19.584
   86   2HD1  LEU  11          2HD1      LEU  11  -3.566  27.226  18.059
   87   3HD1  LEU  11          3HD1      LEU  11  -4.564  28.157  19.175
   88   1HD2  LEU  11          1HD2      LEU  11  -5.591  24.534  17.665
   89   2HD2  LEU  11          2HD2      LEU  11  -5.745  25.564  16.242
   90   3HD2  LEU  11          3HD2      LEU  11  -4.191  25.423  17.065
   91    H    ASP  12           H        ASP  12  -9.322  27.194  18.798
   92    HA   ASP  12           HA       ASP  12  -9.019  29.512  17.045
   93   1HB   ASP  12          1HB       ASP  12 -10.504  27.147  17.159
   94   2HB   ASP  12          2HB       ASP  12 -11.706  28.417  17.383
   95    H    ASP  13           H        ASP  13 -11.326  28.700  19.674
   96    HA   ASP  13           HA       ASP  13 -12.651  31.162  19.889
   97   1HB   ASP  13          1HB       ASP  13 -12.919  28.882  21.111
   98   2HB   ASP  13          2HB       ASP  13 -11.767  29.537  22.275
   99    H    GLN  14           H        GLN  14  -9.673  30.155  21.607
  100    HA   GLN  14           HA       GLN  14  -9.255  32.828  22.730
  101   1HB   GLN  14          1HB       GLN  14  -8.604  30.348  23.498
  102   2HB   GLN  14          2HB       GLN  14  -7.132  30.725  22.602
  103   1HG   GLN  14          2HG       GLN  14  -6.652  31.475  24.787
  104   2HG   GLN  14          1HG       GLN  14  -7.141  32.946  23.947
  105   2HE2  GLN  14          2HE2      GLN  14  -8.245  30.483  26.272
  106   1HE2  GLN  14          1HE2      GLN  14  -9.543  31.393  26.877
  107    H    GLY  15           H        GLY  15  -8.233  31.058  19.883
  108   1HA   GLY  15          2HA       GLY  15  -7.146  33.438  18.662
  109   2HA   GLY  15          1HA       GLY  15  -7.048  31.809  17.996
  110    H    TRP  16           H        TRP  16  -5.638  30.476  19.980
  111    HA   TRP  16           HA       TRP  16  -3.152  32.054  20.438
  112   1HB   TRP  16          1HB       TRP  16  -4.650  29.970  21.774
  113   2HB   TRP  16          2HB       TRP  16  -2.981  29.454  21.533
  114    HD1  TRP  16           HD1      TRP  16  -1.723  29.955  23.686
  115    HE1  TRP  16           HE1      TRP  16  -1.514  31.979  25.269
  116    HE3  TRP  16           HE3      TRP  16  -5.159  33.085  21.573
  117    HZ2  TRP  16           HZ2      TRP  16  -2.654  34.583  25.595
  118    HZ3  TRP  16           HZ3      TRP  16  -5.578  35.329  22.539
  119    HH2  TRP  16           HH2      TRP  16  -4.331  36.081  24.546
  120    H    ASP  17           H        ASP  17  -1.122  30.429  20.286
  121    HA   ASP  17           HA       ASP  17  -1.192  29.334  17.508
  122   1HB   ASP  17          1HB       ASP  17   0.529  31.028  18.959
  123   2HB   ASP  17          2HB       ASP  17   1.410  29.511  18.780
  124    H    MET  18           H        MET  18   0.661  27.488  17.382
  125    HA   MET  18           HA       MET  18  -0.348  25.279  19.011
  126   1HB   MET  18          1HB       MET  18   1.528  25.729  16.725
  127   2HB   MET  18          2HB       MET  18   1.664  24.213  17.616
  128   1HG   MET  18          1HG       MET  18  -0.353  23.441  16.866
  129   2HG   MET  18          2HG       MET  18  -1.096  25.040  16.922
  130   1HE   MET  18          1HE       MET  18  -0.807  22.421  15.029
  131   2HE   MET  18          2HE       MET  18  -0.291  22.785  13.378
  132   3HE   MET  18          3HE       MET  18   0.907  22.442  14.623
  133    H    ASP  19           H        ASP  19   2.884  26.789  18.588
  134    HA   ASP  19           HA       ASP  19   3.598  25.726  21.304
  135   1HB   ASP  19          1HB       ASP  19   5.926  25.633  20.328
  136   2HB   ASP  19          2HB       ASP  19   4.776  24.554  19.538
  137    H    ASP  20           H        ASP  20   3.366  28.496  19.246
  138    HA   ASP  20           HA       ASP  20   5.332  30.221  20.362
  139   1HB   ASP  20          1HB       ASP  20   3.890  30.553  18.318
  140   2HB   ASP  20          2HB       ASP  20   2.544  30.920  19.396
  141    H    ASP  21           H        ASP  21   1.838  30.512  21.074
  142    HA   ASP  21           HA       ASP  21   2.397  31.762  23.658
  143   1HB   ASP  21          2HB       ASP  21  -0.178  30.788  22.379
  144   2HB   ASP  21          1HB       ASP  21  -0.055  31.920  23.726
  145    H    ASP  22           H        ASP  22   2.665  28.635  22.774
  146    HA   ASP  22           HA       ASP  22   2.435  26.565  23.899
  147   1HB   ASP  22          1HB       ASP  22   3.693  28.499  25.435
  148   2HB   ASP  22          2HB       ASP  22   2.476  27.854  26.536
  149    H    LEU  23           H        LEU  23  -0.052  27.412  23.127
  150    HA   LEU  23           HA       LEU  23  -2.096  27.970  24.898
  151   1HB   LEU  23          1HB       LEU  23  -2.162  27.404  22.416
  152   2HB   LEU  23          2HB       LEU  23  -2.158  25.704  22.884
  153    HG   LEU  23           HG       LEU  23  -4.234  25.969  24.097
  154   1HD1  LEU  23          1HD1      LEU  23  -3.501  28.817  23.885
  155   2HD1  LEU  23          2HD1      LEU  23  -5.213  28.487  23.617
  156   3HD1  LEU  23          3HD1      LEU  23  -4.443  27.989  25.124
  157   1HD2  LEU  23          1HD2      LEU  23  -4.277  27.318  21.384
  158   2HD2  LEU  23          2HD2      LEU  23  -4.538  25.607  21.725
  159   3HD2  LEU  23          3HD2      LEU  23  -5.729  26.801  22.241
  160    H    PHE  24           H        PHE  24  -0.775  24.689  24.315
  161    HA   PHE  24           HA       PHE  24  -2.274  23.187  26.121
  162   1HB   PHE  24          1HB       PHE  24   0.542  23.161  25.099
  163   2HB   PHE  24          2HB       PHE  24   0.125  22.038  26.391
  164    HD1  PHE  24           HD1      PHE  24  -1.653  20.333  26.051
  165    HD2  PHE  24           HD2      PHE  24  -0.327  22.894  22.868
  166    HE1  PHE  24           HE1      PHE  24  -2.724  18.827  24.395
  167    HE2  PHE  24           HE2      PHE  24  -1.393  21.388  21.211
  168    HZ   PHE  24           HZ       PHE  24  -2.591  19.354  21.975
  169    H    GLU  25           H        GLU  25   0.141  25.614  26.769
  170    HA   GLU  25           HA       GLU  25   0.302  24.870  29.647
  171   1HB   GLU  25          1HB       GLU  25   1.966  26.111  27.651
  172   2HB   GLU  25          2HB       GLU  25   1.781  27.211  29.017
  173   1HG   GLU  25          1HG       GLU  25   3.582  25.918  29.730
  174   2HG   GLU  25          2HG       GLU  25   2.231  25.034  30.441
  175    H    LYS  26           H        LYS  26  -0.477  27.739  27.636
  176    HA   LYS  26           HA       LYS  26  -1.306  29.464  29.727
  177   1HB   LYS  26          1HB       LYS  26  -0.907  29.937  27.258
  178   2HB   LYS  26          2HB       LYS  26  -2.504  29.252  26.951
  179   1HG   LYS  26          1HG       LYS  26  -2.434  31.262  29.113
  180   2HG   LYS  26          2HG       LYS  26  -2.039  31.896  27.515
  181   1HD   LYS  26          1HD       LYS  26  -4.114  31.111  26.599
  182   2HD   LYS  26          2HD       LYS  26  -4.464  30.162  28.044
  183   1HE   LYS  26          1HE       LYS  26  -5.277  31.978  29.171
  184   2HE   LYS  26          2HE       LYS  26  -4.001  33.043  28.551
  185   1HZ   LYS  26          1HZ       LYS  26  -5.180  32.688  26.307
  186   2HZ   LYS  26          2HZ       LYS  26  -6.512  32.194  27.238
  187   3HZ   LYS  26          3HZ       LYS  26  -5.885  33.762  27.417
  188    H    ALA  27           H        ALA  27  -2.806  26.613  28.477
  189    HA   ALA  27           HA       ALA  27  -5.561  27.214  29.075
  190   1HB   ALA  27          1HB       ALA  27  -4.459  25.339  27.665
  191   2HB   ALA  27          3HB       ALA  27  -4.247  24.495  29.199
  192   3HB   ALA  27          2HB       ALA  27  -5.867  24.902  28.631
  193    H    ALA  28           H        ALA  28  -2.978  25.594  30.944
  194    HA   ALA  28           HA       ALA  28  -4.526  24.927  33.242
  195   1HB   ALA  28          1HB       ALA  28  -1.672  25.795  33.478
  196   2HB   ALA  28          3HB       ALA  28  -2.034  24.456  32.389
  197   3HB   ALA  28          2HB       ALA  28  -2.453  24.340  34.099
  198    H    ASP  29           H        ASP  29  -3.227  27.979  32.144
  199    HA   ASP  29           HA       ASP  29  -3.455  29.288  34.769
  200   1HB   ASP  29          1HB       ASP  29  -3.008  30.399  31.979
  201   2HB   ASP  29          2HB       ASP  29  -2.675  31.231  33.498
  202    H    ALA  30           H        ALA  30  -5.416  28.836  31.898
  203    HA   ALA  30           HA       ALA  30  -7.265  31.023  32.463
  204   1HB   ALA  30          1HB       ALA  30  -7.217  28.613  30.638
  205   2HB   ALA  30          3HB       ALA  30  -8.585  29.726  30.678
  206   3HB   ALA  30          2HB       ALA  30  -6.989  30.306  30.201
  207    H    GLY  31           H        GLY  31  -7.368  27.478  32.824
  208   1HA   GLY  31          2HA       GLY  31  -9.340  27.823  35.013
  209   2HA   GLY  31          1HA       GLY  31  -8.421  26.355  34.684
  210    H    LEU  32           H        LEU  32  -8.930  25.926  32.006
  211    HA   LEU  32           HA       LEU  32 -11.781  26.153  31.406
  212   1HB   LEU  32          1HB       LEU  32  -9.285  25.425  30.128
  213   2HB   LEU  32          2HB       LEU  32 -10.531  24.235  29.753
  214    HG   LEU  32           HG       LEU  32 -12.031  25.989  28.972
  215   1HD1  LEU  32          1HD1      LEU  32 -10.415  27.627  30.614
  216   2HD1  LEU  32          2HD1      LEU  32 -10.200  28.221  28.967
  217   3HD1  LEU  32          3HD1      LEU  32 -11.817  28.120  29.664
  218   1HD2  LEU  32          1HD2      LEU  32  -9.223  26.300  27.866
  219   2HD2  LEU  32          2HD2      LEU  32 -10.423  25.120  27.340
  220   3HD2  LEU  32          3HD2      LEU  32 -10.694  26.839  27.054
  221    H    ASP  33           H        ASP  33 -13.095  24.146  30.954
  222    HA   ASP  33           HA       ASP  33 -13.249  22.422  33.220
  223   1HB   ASP  33          1HB       ASP  33 -14.352  22.463  30.419
  224   2HB   ASP  33          2HB       ASP  33 -14.698  21.098  31.481
  225    H    GLY  34           H        GLY  34 -12.795  20.110  33.329
  226   1HA   GLY  34          2HA       GLY  34 -11.329  18.289  33.111
  227   2HA   GLY  34          1HA       GLY  34 -10.226  19.375  32.265
  228    H    GLU  35           H        GLU  35 -13.486  19.020  31.089
  229    HA   GLU  35           HA       GLU  35 -12.942  16.853  29.232
  230   1HB   GLU  35          2HB       GLU  35 -15.184  17.232  28.573
  231   2HB   GLU  35          1HB       GLU  35 -15.159  17.728  30.264
  232   1HG   GLU  35          1HG       GLU  35 -14.622  20.095  29.345
  233   2HG   GLU  35          2HG       GLU  35 -15.182  19.463  27.797
  234    H    ASP  36           H        ASP  36 -11.782  19.970  29.294
  235    HA   ASP  36           HA       ASP  36 -11.709  20.168  26.300
  236   1HB   ASP  36          1HB       ASP  36 -12.340  21.993  28.459
  237   2HB   ASP  36          2HB       ASP  36 -10.996  22.620  27.503
  238    H    TYR  37           H        TYR  37  -9.767  20.994  29.216
  239    HA   TYR  37           HA       TYR  37  -7.327  20.242  27.642
  240   1HB   TYR  37          1HB       TYR  37  -7.361  22.609  27.614
  241   2HB   TYR  37          2HB       TYR  37  -7.962  22.704  29.269
  242    HD1  TYR  37           HD1      TYR  37  -5.019  21.514  27.283
  243    HD2  TYR  37           HD2      TYR  37  -6.457  23.001  31.047
  244    HE1  TYR  37           HE1      TYR  37  -2.689  21.648  28.118
  245    HE2  TYR  37           HE2      TYR  37  -4.125  23.134  31.884
  246    HH   TYR  37           HH       TYR  37  -1.577  21.593  30.474
  247    H    GLY  38           H        GLY  38  -5.778  19.103  28.822
  248   1HA   GLY  38          2HA       GLY  38  -6.605  17.942  31.356
  249   2HA   GLY  38          1HA       GLY  38  -5.283  19.091  31.552
  250    H    THR  39           H        THR  39  -4.405  16.800  32.289
  251    HA   THR  39           HA       THR  39  -2.728  15.823  30.042
  252    HB   THR  39           HB       THR  39  -2.669  15.315  33.035
  253    HG1  THR  39           HG1      THR  39  -1.926  17.265  33.054
  254   1HG2  THR  39          1HG2      THR  39  -0.780  14.666  30.772
  255   2HG2  THR  39          2HG2      THR  39  -0.230  14.764  32.445
  256   3HG2  THR  39          3HG2      THR  39  -1.447  13.573  31.985
  257    H    MET  40           H        MET  40  -3.142  13.872  29.080
  258    HA   MET  40           HA       MET  40  -5.256  12.132  30.240
  259   1HB   MET  40          1HB       MET  40  -4.412  12.998  27.654
  260   2HB   MET  40          2HB       MET  40  -4.227  11.245  27.716
  261   1HG   MET  40          1HG       MET  40  -6.575  11.116  28.635
  262   2HG   MET  40          2HG       MET  40  -6.731  12.843  28.316
  263   1HE   MET  40          1HE       MET  40  -5.448   9.681  27.132
  264   2HE   MET  40          2HE       MET  40  -6.916   9.196  26.270
  265   3HE   MET  40          3HE       MET  40  -5.483   9.688  25.371
  266    H    GLU  41           H        GLU  41  -3.604  11.431  31.961
  267    HA   GLU  41           HA       GLU  41  -1.224   9.998  31.347
  268   1HB   GLU  41          1HB       GLU  41  -2.235  10.868  33.574
  269   2HB   GLU  41          2HB       GLU  41  -3.108   9.337  33.612
  270   1HG   GLU  41          1HG       GLU  41  -0.618   8.433  33.048
  271   2HG   GLU  41          2HG       GLU  41  -0.210   9.876  33.978
  272    H    VAL  42           H        VAL  42  -1.361   8.393  29.758
  273    HA   VAL  42           HA       VAL  42  -3.533   6.355  30.004
  274    HB   VAL  42           HB       VAL  42  -1.638   7.223  27.808
  275   1HG1  VAL  42          1HG1      VAL  42  -1.881   4.763  27.755
  276   2HG1  VAL  42          2HG1      VAL  42  -3.635   4.938  27.783
  277   3HG1  VAL  42          3HG1      VAL  42  -2.714   5.511  26.392
  278   1HG2  VAL  42          1HG2      VAL  42  -4.272   7.968  28.614
  279   2HG2  VAL  42          2HG2      VAL  42  -3.372   8.522  27.201
  280   3HG2  VAL  42          3HG2      VAL  42  -4.407   7.098  27.086
  281    H    ALA  43           H        ALA  43  -3.003   4.315  30.702
  282    HA   ALA  43           HA       ALA  43  -0.279   3.705  31.539
  283   1HB   ALA  43          1HB       ALA  43  -3.003   2.648  31.771
  284   2HB   ALA  43          3HB       ALA  43  -1.794   1.374  31.621
  285   3HB   ALA  43          2HB       ALA  43  -1.670   2.559  32.922
  286    H    GLU  44           H        GLU  44   1.259   2.635  30.345
  287    HA   GLU  44           HA       GLU  44   1.139   2.189  27.590
  288   1HB   GLU  44          1HB       GLU  44   3.051   0.601  28.078
  289   2HB   GLU  44          2HB       GLU  44   3.201   2.173  28.863
  290   1HG   GLU  44          1HG       GLU  44   1.762   0.749  30.724
  291   2HG   GLU  44          2HG       GLU  44   2.821  -0.493  30.057
  292    H    GLY  45           H        GLY  45  -0.270   0.893  26.486
  293   1HA   GLY  45          2HA       GLY  45  -0.814  -1.830  27.585
  294   2HA   GLY  45          1HA       GLY  45  -0.872  -1.415  25.872
  295    H    GLU  46           H        GLU  46  -2.218   1.189  27.270
  296    HA   GLU  46           HA       GLU  46  -4.968  -0.013  27.343
  297   1HB   GLU  46          1HB       GLU  46  -3.753   1.149  29.377
  298   2HB   GLU  46          2HB       GLU  46  -4.207   2.636  28.543
  299   1HG   GLU  46          1HG       GLU  46  -6.419   2.371  29.016
  300   2HG   GLU  46          2HG       GLU  46  -6.365   0.629  28.748
  301    H    TYR  47           H        TYR  47  -6.016   0.461  25.445
  302    HA   TYR  47           HA       TYR  47  -5.338   2.232  23.428
  303   1HB   TYR  47          2HB       TYR  47  -8.124   1.624  24.468
  304   2HB   TYR  47          1HB       TYR  47  -7.718   2.115  22.825
  305    HD1  TYR  47           HD1      TYR  47  -5.097   0.503  22.658
  306    HD2  TYR  47           HD2      TYR  47  -9.069  -0.533  23.924
  307    HE1  TYR  47           HE1      TYR  47  -4.673  -1.863  22.053
  308    HE2  TYR  47           HE2      TYR  47  -8.645  -2.899  23.319
  309    HH   TYR  47           HH       TYR  47  -5.448  -3.999  22.331
  310    H    ILE  48           H        ILE  48  -5.797   4.446  22.976
  311    HA   ILE  48           HA       ILE  48  -5.726   6.305  25.119
  312    HB   ILE  48           HB       ILE  48  -6.745   6.613  22.275
  313   1HG1  ILE  48          1HG1      ILE  48  -4.111   7.610  22.617
  314   2HG1  ILE  48          2HG1      ILE  48  -4.143   6.003  23.342
  315   1HG2  ILE  48          1HG2      ILE  48  -6.590   8.459  24.454
  316   2HG2  ILE  48          2HG2      ILE  48  -5.356   8.902  23.275
  317   3HG2  ILE  48          3HG2      ILE  48  -7.044   8.786  22.781
  318   1HD1  ILE  48          1HD1      ILE  48  -5.111   6.689  20.549
  319   2HD1  ILE  48          2HD1      ILE  48  -3.589   5.887  20.934
  320   3HD1  ILE  48          3HD1      ILE  48  -5.121   5.082  21.275
  321    H    LEU  49           H        LEU  49  -8.507   5.596  22.956
  322    HA   LEU  49           HA       LEU  49 -10.475   7.086  24.288
  323   1HB   LEU  49          1HB       LEU  49 -12.021   5.384  23.269
  324   2HB   LEU  49          2HB       LEU  49 -10.796   5.968  22.143
  325    HG   LEU  49           HG       LEU  49  -9.477   3.866  23.262
  326   1HD1  LEU  49          1HD1      LEU  49 -11.512   3.269  24.582
  327   2HD1  LEU  49          2HD1      LEU  49 -12.387   3.034  23.070
  328   3HD1  LEU  49          3HD1      LEU  49 -11.024   1.989  23.471
  329   1HD2  LEU  49          1HD2      LEU  49 -10.707   4.519  20.780
  330   2HD2  LEU  49          2HD2      LEU  49  -9.419   3.349  21.071
  331   3HD2  LEU  49          3HD2      LEU  49 -11.106   2.837  21.130
  332    H    GLU  50           H        GLU  50  -8.874   4.177  25.319
  333    HA   GLU  50           HA       GLU  50 -10.909   3.367  27.258
  334   1HB   GLU  50          1HB       GLU  50  -8.405   2.440  26.125
  335   2HB   GLU  50          2HB       GLU  50  -8.406   2.236  27.877
  336   1HG   GLU  50          1HG       GLU  50 -10.897   1.466  26.443
  337   2HG   GLU  50          2HG       GLU  50  -9.498   0.420  26.209
  338    H    ALA  51           H        ALA  51  -7.560   4.634  27.602
  339    HA   ALA  51           HA       ALA  51  -7.719   5.097  30.420
  340   1HB   ALA  51          1HB       ALA  51  -6.072   6.371  28.214
  341   2HB   ALA  51          2HB       ALA  51  -5.725   6.542  29.935
  342   3HB   ALA  51          3HB       ALA  51  -5.629   4.956  29.169
  343    H    ALA  52           H        ALA  52  -8.668   7.066  27.656
  344    HA   ALA  52           HA       ALA  52  -9.077   9.489  29.238
  345   1HB   ALA  52          1HB       ALA  52  -9.218   8.568  26.451
  346   2HB   ALA  52          3HB       ALA  52 -10.427   9.786  26.855
  347   3HB   ALA  52          2HB       ALA  52  -8.714  10.133  27.091
  348    H    GLU  53           H        GLU  53 -11.165   7.002  27.795
  349    HA   GLU  53           HA       GLU  53 -13.682   8.126  28.498
  350   1HB   GLU  53          1HB       GLU  53 -13.532   6.287  26.965
  351   2HB   GLU  53          2HB       GLU  53 -12.663   5.297  28.140
  352   1HG   GLU  53          1HG       GLU  53 -14.746   5.482  29.618
  353   2HG   GLU  53          2HG       GLU  53 -15.570   6.135  28.202
  354    H    ALA  54           H        ALA  54 -11.348   6.282  30.377
  355    HA   ALA  54           HA       ALA  54 -13.139   5.829  32.642
  356   1HB   ALA  54          1HB       ALA  54 -10.160   5.585  32.138
  357   2HB   ALA  54          3HB       ALA  54 -10.903   5.148  33.677
  358   3HB   ALA  54          2HB       ALA  54 -11.350   4.283  32.206
  359    H    GLN  55           H        GLN  55 -11.527   8.548  31.462
  360    HA   GLN  55           HA       GLN  55 -11.154   9.739  34.179
  361   1HB   GLN  55          1HB       GLN  55 -10.148  10.328  31.393
  362   2HB   GLN  55          2HB       GLN  55  -9.982  11.509  32.692
  363   1HG   GLN  55          1HG       GLN  55  -9.125   9.121  33.848
  364   2HG   GLN  55          2HG       GLN  55  -8.467   9.059  32.212
  365   2HE2  GLN  55          2HE2      GLN  55  -7.591  10.015  35.231
  366   1HE2  GLN  55          1HE2      GLN  55  -6.579  11.324  34.852
  367    H    GLY  56           H        GLY  56 -13.253   9.759  31.447
  368   1HA   GLY  56          2HA       GLY  56 -14.657  12.134  32.585
  369   2HA   GLY  56          1HA       GLY  56 -15.438  10.858  31.652
  370    H    TYR  57           H        TYR  57 -13.085  10.895  29.730
  371    HA   TYR  57           HA       TYR  57 -13.400  13.557  28.447
  372   1HB   TYR  57          2HB       TYR  57 -11.713  11.137  27.734
  373   2HB   TYR  57          1HB       TYR  57 -11.542  12.754  27.052
  374    HD1  TYR  57           HD1      TYR  57 -12.302  13.968  29.951
  375    HD2  TYR  57           HD2      TYR  57  -9.319  11.275  28.444
  376    HE1  TYR  57           HE1      TYR  57 -10.793  14.590  31.819
  377    HE2  TYR  57           HE2      TYR  57  -7.812  11.890  30.305
  378    HH   TYR  57           HH       TYR  57  -8.849  14.203  32.819
  379    H    ASP  58           H        ASP  58 -14.179  13.745  26.271
  380    HA   ASP  58           HA       ASP  58 -15.660  11.351  25.227
  381   1HB   ASP  58          1HB       ASP  58 -17.062  13.135  26.332
  382   2HB   ASP  58          2HB       ASP  58 -16.490  14.270  25.109
  383    H    TRP  59           H        TRP  59 -15.305  10.950  23.040
  384    HA   TRP  59           HA       TRP  59 -13.854  13.059  21.477
  385   1HB   TRP  59          1HB       TRP  59 -13.346  10.070  21.459
  386   2HB   TRP  59          2HB       TRP  59 -12.382  11.310  20.657
  387    HD1  TRP  59           HD1      TRP  59 -13.534  10.429  24.244
  388    HE1  TRP  59           HE1      TRP  59 -11.641  11.066  25.871
  389    HE3  TRP  59           HE3      TRP  59 -10.197  12.471  20.962
  390    HZ2  TRP  59           HZ2      TRP  59  -9.054  12.277  25.794
  391    HZ3  TRP  59           HZ3      TRP  59  -8.027  13.357  21.766
  392    HH2  TRP  59           HH2      TRP  59  -7.453  13.263  24.177
  393    HA   PRO  60           HA       PRO  60 -16.689  12.179  18.252
  394   1HB   PRO  60          1HB       PRO  60 -15.123  12.549  16.038
  395   2HB   PRO  60          2HB       PRO  60 -15.688  13.884  17.058
  396   1HG   PRO  60          2HG       PRO  60 -13.024  12.570  16.950
  397   2HG   PRO  60          1HG       PRO  60 -13.435  14.265  17.240
  398   1HD   PRO  60          1HD       PRO  60 -12.730  12.462  19.202
  399   2HD   PRO  60          2HD       PRO  60 -13.665  13.946  19.481
  400    H    PHE  61           H        PHE  61 -16.490   9.797  19.081
  401    HA   PHE  61           HA       PHE  61 -15.109   8.060  17.071
  402   1HB   PHE  61          1HB       PHE  61 -15.351   6.353  18.871
  403   2HB   PHE  61          2HB       PHE  61 -14.500   7.789  19.439
  404    HD1  PHE  61           HD1      PHE  61 -17.813   6.093  19.377
  405    HD2  PHE  61           HD2      PHE  61 -15.396   9.155  21.175
  406    HE1  PHE  61           HE1      PHE  61 -19.535   6.421  21.131
  407    HE2  PHE  61           HE2      PHE  61 -17.118   9.482  22.931
  408    HZ   PHE  61           HZ       PHE  61 -19.187   8.114  22.908
  409    H    SER  62           H        SER  62 -16.615   5.742  17.471
  410    HA   SER  62           HA       SER  62 -18.656   4.688  16.894
  411   1HB   SER  62          1HB       SER  62 -19.295   6.818  18.475
  412   2HB   SER  62          2HB       SER  62 -20.171   7.231  17.003
  413    HG   SER  62           HG       SER  62 -21.522   5.693  17.401
  414    H    CYS  63           H        CYS  63 -16.912   6.467  14.974
  415    HA   CYS  63           HA       CYS  63 -18.735   7.449  12.951
  416   1HB   CYS  63          1HB       CYS  63 -16.611   7.501  11.603
  417   2HB   CYS  63          2HB       CYS  63 -16.459   8.276  13.178
  418    H    ARG  64           H        ARG  64 -19.982   5.200  13.224
  419    HA   ARG  64           HA       ARG  64 -18.897   2.889  11.855
  420   1HB   ARG  64          1HB       ARG  64 -21.599   3.826  12.816
  421   2HB   ARG  64          2HB       ARG  64 -21.440   2.319  11.913
  422   1HG   ARG  64          1HG       ARG  64 -19.534   2.737  14.162
  423   2HG   ARG  64          2HG       ARG  64 -21.214   2.425  14.596
  424   1HD   ARG  64          1HD       ARG  64 -20.485   0.230  14.408
  425   2HD   ARG  64          2HD       ARG  64 -20.892   0.513  12.704
  426    HE   ARG  64           HE       ARG  64 -18.271   1.497  13.086
  427   1HH1  ARG  64          1HH1      ARG  64 -18.155  -0.939  14.893
  428   2HH1  ARG  64          2HH1      ARG  64 -17.603  -2.156  13.791
  429   1HH2  ARG  64          1HH2      ARG  64 -18.342  -0.300  10.957
  430   2HH2  ARG  64          2HH2      ARG  64 -17.705  -1.793  11.561
  431    H    ALA  65           H        ALA  65 -20.276   5.853  10.783
  432    HA   ALA  65           HA       ALA  65 -20.135   4.964   7.976
  433   1HB   ALA  65          1HB       ALA  65 -22.491   4.649   9.411
  434   2HB   ALA  65          3HB       ALA  65 -22.370   4.720   7.652
  435   3HB   ALA  65          2HB       ALA  65 -22.736   6.180   8.572
  436    H    GLY  66           H        GLY  66 -21.057   6.962   6.588
  437   1HA   GLY  66          2HA       GLY  66 -20.488   9.538   7.945
  438   2HA   GLY  66          1HA       GLY  66 -21.227   9.357   6.354
  439    H    ALA  67           H        ALA  67 -18.211   9.515   8.106
  440    HA   ALA  67           HA       ALA  67 -16.404   8.720   6.045
  441   1HB   ALA  67          1HB       ALA  67 -17.782  11.303   5.760
  442   2HB   ALA  67          3HB       ALA  67 -16.027  11.430   5.638
  443   3HB   ALA  67          2HB       ALA  67 -16.912  10.359   4.550
  444    H    CYS  68           H        CYS  68 -15.065   8.122   7.802
  445    HA   CYS  68           HA       CYS  68 -13.852  10.409   9.310
  446   1HB   CYS  68          1HB       CYS  68 -15.528   9.199  10.672
  447   2HB   CYS  68          2HB       CYS  68 -14.683   7.683  10.370
  448    H    ALA  69           H        ALA  69 -13.070   7.031   9.857
  449    HA   ALA  69           HA       ALA  69 -11.089   5.818   9.441
  450   1HB   ALA  69          1HB       ALA  69 -10.540   5.801   7.190
  451   2HB   ALA  69          3HB       ALA  69 -10.597   7.559   7.060
  452   3HB   ALA  69          2HB       ALA  69 -12.095   6.629   7.104
  453    H    ASN  70           H        ASN  70 -11.077   8.813  10.595
  454    HA   ASN  70           HA       ASN  70  -8.137   8.851  10.915
  455   1HB   ASN  70          1HB       ASN  70  -9.575  10.429   8.990
  456   2HB   ASN  70          2HB       ASN  70  -8.894  11.504  10.212
  457   2HD2  ASN  70          2HD2      ASN  70  -8.077  10.644   7.274
  458   1HD2  ASN  70          1HD2      ASN  70  -6.412  10.355   7.429
  459    H    CYS  71           H        CYS  71 -10.873   8.794  12.454
  460    HA   CYS  71           HA       CYS  71 -11.769   9.773  14.425
  461   1HB   CYS  71          2HB       CYS  71  -8.839  10.178  15.045
  462   2HB   CYS  71          1HB       CYS  71 -10.128   9.704  16.149
  463    H    ALA  72           H        ALA  72  -9.953  11.797  15.906
  464    HA   ALA  72           HA       ALA  72  -9.872  14.150  14.184
  465   1HB   ALA  72          1HB       ALA  72 -12.352  13.368  15.172
  466   2HB   ALA  72          3HB       ALA  72 -11.837  14.620  16.303
  467   3HB   ALA  72          2HB       ALA  72 -11.946  14.979  14.579
  468    H    SER  73           H        SER  73  -7.710  13.728  15.389
  469    HA   SER  73           HA       SER  73  -7.674  15.439  17.827
  470   1HB   SER  73          2HB       SER  73  -5.981  13.027  17.975
  471   2HB   SER  73          1HB       SER  73  -7.024  13.740  19.205
  472    HG   SER  73           HG       SER  73  -8.789  12.776  18.237
  473    H    ILE  74           H        ILE  74  -6.247  17.025  17.157
  474    HA   ILE  74           HA       ILE  74  -4.102  16.426  15.242
  475    HB   ILE  74           HB       ILE  74  -4.738  18.935  16.825
  476   1HG1  ILE  74          1HG1      ILE  74  -6.706  18.147  15.568
  477   2HG1  ILE  74          2HG1      ILE  74  -6.041  19.605  14.831
  478   1HG2  ILE  74          1HG2      ILE  74  -2.496  18.554  15.493
  479   2HG2  ILE  74          2HG2      ILE  74  -3.520  18.834  14.084
  480   3HG2  ILE  74          3HG2      ILE  74  -3.367  20.078  15.325
  481   1HD1  ILE  74          1HD1      ILE  74  -4.734  18.096  13.267
  482   2HD1  ILE  74          2HD1      ILE  74  -5.669  16.743  13.906
  483   3HD1  ILE  74          3HD1      ILE  74  -6.484  18.048  13.045
  484    H    VAL  75           H        VAL  75  -2.632  15.048  16.351
  485    HA   VAL  75           HA       VAL  75  -1.721  15.431  19.029
  486    HB   VAL  75           HB       VAL  75  -1.391  13.632  16.923
  487   1HG1  VAL  75          1HG1      VAL  75   1.282  14.861  17.667
  488   2HG1  VAL  75          2HG1      VAL  75   1.100  13.297  16.870
  489   3HG1  VAL  75          3HG1      VAL  75   0.573  14.770  16.055
  490   1HG2  VAL  75          1HG2      VAL  75  -0.119  13.811  19.663
  491   2HG2  VAL  75          2HG2      VAL  75  -1.619  12.989  19.229
  492   3HG2  VAL  75          3HG2      VAL  75  -0.072  12.357  18.664
  493    H    LYS  76           H        LYS  76  -0.668  17.226  19.775
  494    HA   LYS  76           HA       LYS  76   0.831  18.956  17.931
  495   1HB   LYS  76          1HB       LYS  76  -0.596  19.177  20.359
  496   2HB   LYS  76          2HB       LYS  76   1.074  19.594  20.741
  497   1HG   LYS  76          1HG       LYS  76   0.556  20.847  18.282
  498   2HG   LYS  76          2HG       LYS  76  -0.896  21.116  19.245
  499   1HD   LYS  76          2HD       LYS  76   0.363  22.884  20.016
  500   2HD   LYS  76          1HD       LYS  76   0.938  21.644  21.130
  501   1HE   LYS  76          1HE       LYS  76   2.638  21.201  19.069
  502   2HE   LYS  76          2HE       LYS  76   2.350  22.937  18.850
  503   1HZ   LYS  76          1HZ       LYS  76   2.583  22.915  21.448
  504   2HZ   LYS  76          2HZ       LYS  76   3.487  21.507  21.154
  505   3HZ   LYS  76          3HZ       LYS  76   3.964  22.984  20.462
  506    H    GLU  77           H        GLU  77   1.557  16.234  19.844
  507    HA   GLU  77           HA       GLU  77   4.361  16.307  19.233
  508   1HB   GLU  77          1HB       GLU  77   3.781  18.171  21.060
  509   2HB   GLU  77          2HB       GLU  77   3.917  16.792  22.152
  510   1HG   GLU  77          1HG       GLU  77   6.116  16.466  20.521
  511   2HG   GLU  77          2HG       GLU  77   6.015  18.220  20.668
  512    H    GLY  78           H        GLY  78   5.442  14.396  20.029
  513   1HA   GLY  78          2HA       GLY  78   3.786  12.528  21.650
  514   2HA   GLY  78          1HA       GLY  78   5.526  12.388  21.401
  515    H    GLU  79           H        GLU  79   4.120  10.129  20.937
  516    HA   GLU  79           HA       GLU  79   3.627  10.011  17.989
  517   1HB   GLU  79          1HB       GLU  79   5.707   8.676  19.668
  518   2HB   GLU  79          2HB       GLU  79   4.991   7.730  18.363
  519   1HG   GLU  79          1HG       GLU  79   5.823  10.515  17.711
  520   2HG   GLU  79          2HG       GLU  79   7.109   9.335  17.968
  521    H    ILE  80           H        ILE  80   2.617   7.819  17.420
  522    HA   ILE  80           HA       ILE  80   1.047   6.693  19.709
  523    HB   ILE  80           HB       ILE  80  -0.009   7.410  16.957
  524   1HG1  ILE  80          1HG1      ILE  80  -0.219   8.884  19.599
  525   2HG1  ILE  80          2HG1      ILE  80   0.605   9.450  18.146
  526   1HG2  ILE  80          1HG2      ILE  80  -1.017   5.842  19.152
  527   2HG2  ILE  80          2HG2      ILE  80  -2.025   7.274  18.947
  528   3HG2  ILE  80          3HG2      ILE  80  -1.776   6.170  17.595
  529   1HD1  ILE  80          1HD1      ILE  80  -2.303   8.695  18.014
  530   2HD1  ILE  80          2HD1      ILE  80  -1.837  10.276  18.641
  531   3HD1  ILE  80          3HD1      ILE  80  -1.400   9.817  16.997
  532    H    ASP  81           H        ASP  81   0.825   4.463  19.614
  533    HA   ASP  81           HA       ASP  81   1.945   3.093  17.189
  534   1HB   ASP  81          1HB       ASP  81   3.367   2.720  19.056
  535   2HB   ASP  81          2HB       ASP  81   2.004   2.524  20.157
  536    H    MET  82           H        MET  82   0.542   1.732  16.131
  537    HA   MET  82           HA       MET  82  -1.881   0.762  17.606
  538   1HB   MET  82          1HB       MET  82  -1.596   2.516  15.263
  539   2HB   MET  82          2HB       MET  82  -2.697   1.166  14.994
  540   1HG   MET  82          1HG       MET  82  -4.213   1.915  16.546
  541   2HG   MET  82          2HG       MET  82  -2.963   2.595  17.589
  542   1HE   MET  82          1HE       MET  82  -5.870   3.363  15.682
  543   2HE   MET  82          2HE       MET  82  -5.508   4.602  14.484
  544   3HE   MET  82          3HE       MET  82  -4.921   2.958  14.246
  545    H    ASP  83           H        ASP  83  -3.017  -0.876  15.862
  546    HA   ASP  83           HA       ASP  83  -0.832  -2.730  14.970
  547   1HB   ASP  83          1HB       ASP  83  -2.451  -3.243  16.958
  548   2HB   ASP  83          2HB       ASP  83  -3.647  -3.535  15.694
  549    H    MET  84           H        MET  84  -1.863  -4.347  13.250
  550    HA   MET  84           HA       MET  84  -2.504  -2.866  10.899
  551   1HB   MET  84          1HB       MET  84  -1.497  -5.039  10.778
  552   2HB   MET  84          2HB       MET  84  -2.792  -5.764  11.729
  553   1HG   MET  84          1HG       MET  84  -4.213  -5.885   9.940
  554   2HG   MET  84          2HG       MET  84  -3.639  -4.367   9.252
  555   1HE   MET  84          1HE       MET  84  -1.990  -7.462  10.578
  556   2HE   MET  84          2HE       MET  84  -3.034  -8.318   9.436
  557   3HE   MET  84          3HE       MET  84  -1.288  -8.299   9.195
  558    H    GLN  85           H        GLN  85  -4.383  -1.653  10.805
  559    HA   GLN  85           HA       GLN  85  -6.953  -2.939  10.653
  560   1HB   GLN  85          1HB       GLN  85  -6.016  -2.629  13.228
  561   2HB   GLN  85          2HB       GLN  85  -6.997  -1.178  13.016
  562   1HG   GLN  85          1HG       GLN  85  -8.491  -3.284  11.878
  563   2HG   GLN  85          2HG       GLN  85  -7.861  -3.912  13.401
  564   2HE2  GLN  85          2HE2      GLN  85  -7.807  -1.408  14.861
  565   1HE2  GLN  85          1HE2      GLN  85  -9.413  -0.918  15.107
  566    H    GLN  86           H        GLN  86  -8.211  -1.581   9.423
  567    HA   GLN  86           HA       GLN  86  -9.036   0.416   8.456
  568   1HB   GLN  86          1HB       GLN  86  -8.707   0.891  11.097
  569   2HB   GLN  86          2HB       GLN  86  -7.558   2.063  10.449
  570   1HG   GLN  86          2HG       GLN  86  -9.451   3.366  10.342
  571   2HG   GLN  86          1HG       GLN  86  -9.626   2.542   8.793
  572   2HE2  GLN  86          2HE2      GLN  86 -12.002   3.364   9.796
  573   1HE2  GLN  86          1HE2      GLN  86 -12.871   2.087  10.503
  574    H    ILE  87           H        ILE  87  -7.553   2.970   8.542
  575    HA   ILE  87           HA       ILE  87  -5.034   2.266   7.093
  576    HB   ILE  87           HB       ILE  87  -6.974   2.523   5.530
  577   1HG1  ILE  87          1HG1      ILE  87  -5.861   4.040   4.002
  578   2HG1  ILE  87          2HG1      ILE  87  -5.006   4.820   5.331
  579   1HG2  ILE  87          1HG2      ILE  87  -8.174   4.186   6.991
  580   2HG2  ILE  87          2HG2      ILE  87  -6.984   5.393   6.505
  581   3HG2  ILE  87          3HG2      ILE  87  -8.057   4.680   5.302
  582   1HD1  ILE  87          1HD1      ILE  87  -4.715   1.881   4.658
  583   2HD1  ILE  87          2HD1      ILE  87  -3.630   3.129   4.047
  584   3HD1  ILE  87          3HD1      ILE  87  -3.733   2.822   5.781
  585    H    LEU  88           H        LEU  88  -3.376   3.605   7.709
  586    HA   LEU  88           HA       LEU  88  -3.911   6.383   8.556
  587   1HB   LEU  88          1HB       LEU  88  -2.832   5.953  10.778
  588   2HB   LEU  88          2HB       LEU  88  -4.350   5.078  10.577
  589    HG   LEU  88           HG       LEU  88  -2.095   3.543   9.560
  590   1HD1  LEU  88          1HD1      LEU  88  -1.405   5.070  11.760
  591   2HD1  LEU  88          2HD1      LEU  88  -1.947   3.560  12.492
  592   3HD1  LEU  88          3HD1      LEU  88  -0.644   3.545  11.303
  593   1HD2  LEU  88          1HD2      LEU  88  -4.541   2.936  10.345
  594   2HD2  LEU  88          2HD2      LEU  88  -3.224   1.792  10.603
  595   3HD2  LEU  88          3HD2      LEU  88  -3.782   2.810  11.931
  596    H    SER  89           H        SER  89  -2.059   7.666   8.267
  597    HA   SER  89           HA       SER  89   0.472   6.231   7.531
  598   1HB   SER  89          1HB       SER  89   0.704   7.938   5.737
  599   2HB   SER  89          2HB       SER  89  -0.773   6.994   5.549
  600    HG   SER  89           HG       SER  89  -1.574   8.959   5.438
  601    H    ASP  90           H        ASP  90   2.419   7.437   8.008
  602    HA   ASP  90           HA       ASP  90   2.344   9.010  10.408
  603   1HB   ASP  90          1HB       ASP  90   4.207   7.557   9.431
  604   2HB   ASP  90          2HB       ASP  90   4.544   8.894   8.329
  605    H    GLU  91           H        GLU  91   2.789   9.902   6.986
  606    HA   GLU  91           HA       GLU  91   3.304  12.652   7.243
  607   1HB   GLU  91          1HB       GLU  91   2.203  12.768   4.994
  608   2HB   GLU  91          2HB       GLU  91   3.321  11.411   5.129
  609   1HG   GLU  91          1HG       GLU  91   1.563   9.841   5.373
  610   2HG   GLU  91          2HG       GLU  91   0.384  11.097   5.754
  611    H    GLU  92           H        GLU  92   0.391  10.859   7.877
  612    HA   GLU  92           HA       GLU  92  -1.439  13.130   7.812
  613   1HB   GLU  92          1HB       GLU  92  -1.498  10.298   8.023
  614   2HB   GLU  92          2HB       GLU  92  -2.283  10.924   9.472
  615   1HG   GLU  92          1HG       GLU  92  -3.882  10.609   7.585
  616   2HG   GLU  92          2HG       GLU  92  -3.784  12.289   8.110
  617    H    VAL  93           H        VAL  93   0.265  11.302  10.362
  618    HA   VAL  93           HA       VAL  93  -0.782  12.993  12.507
  619    HB   VAL  93           HB       VAL  93  -0.062  10.501  12.515
  620   1HG1  VAL  93          1HG1      VAL  93   2.355  11.615  11.703
  621   2HG1  VAL  93          2HG1      VAL  93   2.619  11.248  13.406
  622   3HG1  VAL  93          3HG1      VAL  93   2.123   9.971  12.296
  623   1HG2  VAL  93          1HG2      VAL  93   0.476  12.605  14.561
  624   2HG2  VAL  93          2HG2      VAL  93  -0.614  11.221  14.633
  625   3HG2  VAL  93          3HG2      VAL  93   1.117  10.992  14.876
  626    H    GLU  94           H        GLU  94   1.809  13.195  10.260
  627    HA   GLU  94           HA       GLU  94   3.463  14.947  11.990
  628   1HB   GLU  94          1HB       GLU  94   4.660  13.368  10.664
  629   2HB   GLU  94          2HB       GLU  94   3.696  13.728   9.231
  630   1HG   GLU  94          1HG       GLU  94   5.047  16.087  10.341
  631   2HG   GLU  94          2HG       GLU  94   6.166  14.831   9.809
  632    H    GLU  95           H        GLU  95   1.550  15.111   8.984
  633    HA   GLU  95           HA       GLU  95   1.955  18.042   8.820
  634   1HB   GLU  95          1HB       GLU  95   1.533  15.889   7.044
  635   2HB   GLU  95          2HB       GLU  95   0.077  16.880   6.943
  636   1HG   GLU  95          1HG       GLU  95   1.444  18.877   6.521
  637   2HG   GLU  95          2HG       GLU  95   2.916  17.920   6.681
  638    H    LYS  96           H        LYS  96  -0.682  15.688   9.325
  639    HA   LYS  96           HA       LYS  96  -2.516  17.948  10.006
  640   1HB   LYS  96          1HB       LYS  96  -2.963  15.020   9.341
  641   2HB   LYS  96          2HB       LYS  96  -4.252  16.167   9.701
  642   1HG   LYS  96          1HG       LYS  96  -2.899  17.553   7.799
  643   2HG   LYS  96          2HG       LYS  96  -2.577  15.903   7.265
  644   1HD   LYS  96          1HD       LYS  96  -5.013  15.428   7.331
  645   2HD   LYS  96          2HD       LYS  96  -5.314  17.097   7.814
  646   1HE   LYS  96          1HE       LYS  96  -3.629  17.160   5.499
  647   2HE   LYS  96          2HE       LYS  96  -4.992  16.075   5.160
  648   1HZ   LYS  96          1HZ       LYS  96  -5.231  18.773   6.396
  649   2HZ   LYS  96          2HZ       LYS  96  -5.531  18.441   4.757
  650   3HZ   LYS  96          3HZ       LYS  96  -6.512  17.747   5.957
  651    H    ASP  97           H        ASP  97  -0.763  15.277  11.370
  652    HA   ASP  97           HA       ASP  97  -0.601  14.495  13.596
  653   1HB   ASP  97          2HB       ASP  97  -2.047  17.033  14.348
  654   2HB   ASP  97          1HB       ASP  97  -0.752  16.209  15.213
  655    H    VAL  98           H        VAL  98  -3.195  14.113  11.970
  656    HA   VAL  98           HA       VAL  98  -5.237  14.034  14.105
  657    HB   VAL  98           HB       VAL  98  -5.140  13.428  11.143
  658   1HG1  VAL  98          1HG1      VAL  98  -7.158  12.665  13.188
  659   2HG1  VAL  98          2HG1      VAL  98  -7.786  13.379  11.703
  660   3HG1  VAL  98          3HG1      VAL  98  -6.796  11.920  11.631
  661   1HG2  VAL  98          1HG2      VAL  98  -5.258  15.811  12.220
  662   2HG2  VAL  98          2HG2      VAL  98  -6.354  15.417  10.896
  663   3HG2  VAL  98          3HG2      VAL  98  -6.935  15.383  12.560
  664    H    ARG  99           H        ARG  99  -5.541  12.234  15.351
  665    HA   ARG  99           HA       ARG  99  -5.642   9.558  14.452
  666   1HB   ARG  99          1HB       ARG  99  -3.019  10.645  14.481
  667   2HB   ARG  99          2HB       ARG  99  -3.107   9.511  15.829
  668   1HG   ARG  99          1HG       ARG  99  -3.153   7.732  14.438
  669   2HG   ARG  99          2HG       ARG  99  -4.414   8.459  13.444
  670   1HD   ARG  99          2HD       ARG  99  -2.583   8.325  11.951
  671   2HD   ARG  99          1HD       ARG  99  -2.456   9.986  12.561
  672    HE   ARG  99           HE       ARG  99  -0.646   9.271  14.007
  673   1HH1  ARG  99          1HH1      ARG  99  -1.570   6.545  14.719
  674   2HH1  ARG  99          2HH1      ARG  99  -0.478   5.531  13.836
  675   1HH2  ARG  99          1HH2      ARG  99   0.576   8.064  11.716
  676   2HH2  ARG  99          2HH2      ARG  99   0.737   6.392  12.135
  677    H    LEU 100           H        LEU 100  -4.339   8.292  16.704
  678    HA   LEU 100           HA       LEU 100  -4.671   7.865  19.011
  679   1HB   LEU 100          1HB       LEU 100  -4.191  10.497  18.802
  680   2HB   LEU 100          2HB       LEU 100  -5.861  10.583  19.362
  681    HG   LEU 100           HG       LEU 100  -5.078   8.852  21.162
  682   1HD1  LEU 100          1HD1      LEU 100  -2.825   8.638  19.929
  683   2HD1  LEU 100          2HD1      LEU 100  -2.432  10.206  20.634
  684   3HD1  LEU 100          3HD1      LEU 100  -2.765   8.826  21.681
  685   1HD2  LEU 100          1HD2      LEU 100  -4.970  11.759  21.002
  686   2HD2  LEU 100          2HD2      LEU 100  -5.527  10.734  22.326
  687   3HD2  LEU 100          3HD2      LEU 100  -3.815  11.132  22.178
  688    H    THR 101           H        THR 101  -6.839   8.988  20.605
  689    HA   THR 101           HA       THR 101  -9.110   8.540  21.066
  690    HB   THR 101           HB       THR 101  -9.124   8.930  18.056
  691    HG1  THR 101           HG1      THR 101  -8.432  10.679  19.410
  692   1HG2  THR 101          1HG2      THR 101 -11.136   7.705  18.846
  693   2HG2  THR 101          2HG2      THR 101 -11.445   8.998  20.004
  694   3HG2  THR 101          3HG2      THR 101 -11.527   9.326  18.274
  695    H    CYS 102           H        CYS 102  -9.392   7.079  17.893
  696    HA   CYS 102           HA       CYS 102 -10.612   4.706  18.605
  697   1HB   CYS 102          1HB       CYS 102  -8.885   5.685  16.411
  698   2HB   CYS 102          2HB       CYS 102  -9.020   3.930  16.523
  699    H    ILE 103           H        ILE 103  -9.642   2.443  18.596
  700    HA   ILE 103           HA       ILE 103  -8.022   1.852  20.739
  701    HB   ILE 103           HB       ILE 103  -8.265   0.545  18.018
  702   1HG1  ILE 103          1HG1      ILE 103  -9.544   0.055  20.722
  703   2HG1  ILE 103          2HG1      ILE 103 -10.342   0.664  19.272
  704   1HG2  ILE 103          1HG2      ILE 103  -6.880  -0.397  20.533
  705   2HG2  ILE 103          2HG2      ILE 103  -7.496  -1.531  19.330
  706   3HG2  ILE 103          3HG2      ILE 103  -6.248  -0.365  18.886
  707   1HD1  ILE 103          1HD1      ILE 103  -8.931  -1.841  18.769
  708   2HD1  ILE 103          2HD1      ILE 103 -10.146  -2.011  20.037
  709   3HD1  ILE 103          3HD1      ILE 103 -10.613  -1.420  18.443
  710    H    GLY 104           H        GLY 104  -5.746   1.459  21.033
  711   1HA   GLY 104          2HA       GLY 104  -4.028   3.045  19.188
  712   2HA   GLY 104          1HA       GLY 104  -3.551   1.395  19.590
  713    H    SER 105           H        SER 105  -1.621   2.183  20.638
  714    HA   SER 105           HA       SER 105  -2.154   3.440  23.311
  715   1HB   SER 105          1HB       SER 105  -0.503   1.989  24.182
  716   2HB   SER 105          2HB       SER 105  -1.359   0.978  23.017
  717    HG   SER 105           HG       SER 105   1.113   2.314  22.701
  718    HA   PRO 106           HA       PRO 106   0.631   6.662  22.249
  719   1HB   PRO 106          1HB       PRO 106   1.848   7.137  24.656
  720   2HB   PRO 106          2HB       PRO 106   0.171   7.602  24.311
  721   1HG   PRO 106          2HG       PRO 106   1.223   5.253  25.815
  722   2HG   PRO 106          1HG       PRO 106  -0.183   6.271  26.157
  723   1HD   PRO 106          1HD       PRO 106  -0.352   3.802  25.006
  724   2HD   PRO 106          2HD       PRO 106  -1.537   5.095  24.728
  725    H    ALA 107           H        ALA 107   2.754   6.857  21.487
  726    HA   ALA 107           HA       ALA 107   4.554   4.527  21.975
  727   1HB   ALA 107          1HB       ALA 107   4.716   6.735  19.904
  728   2HB   ALA 107          3HB       ALA 107   3.785   5.255  19.670
  729   3HB   ALA 107          2HB       ALA 107   5.537   5.175  19.863
  730    H    ALA 108           H        ALA 108   4.277   7.982  22.469
  731    HA   ALA 108           HA       ALA 108   7.080   8.032  23.543
  732   1HB   ALA 108          1HB       ALA 108   7.189  10.281  22.788
  733   2HB   ALA 108          3HB       ALA 108   5.436  10.402  22.645
  734   3HB   ALA 108          2HB       ALA 108   6.348   9.431  21.491
  735    H    ASP 109           H        ASP 109   7.370   8.921  25.620
  736    HA   ASP 109           HA       ASP 109   5.436   8.660  27.609
  737   1HB   ASP 109          1HB       ASP 109   7.896  10.340  27.221
  738   2HB   ASP 109          2HB       ASP 109   6.935  10.561  28.683
  739    H    GLU 110           H        GLU 110   6.500  11.930  26.686
  740    HA   GLU 110           HA       GLU 110   3.889  13.052  27.392
  741   1HB   GLU 110          1HB       GLU 110   5.080  15.164  26.710
  742   2HB   GLU 110          2HB       GLU 110   5.965  14.215  27.905
  743   1HG   GLU 110          1HG       GLU 110   6.598  13.398  25.174
  744   2HG   GLU 110          2HG       GLU 110   6.956  15.103  25.452
  745    H    VAL 111           H        VAL 111   2.236  13.448  25.952
  746    HA   VAL 111           HA       VAL 111   2.877  13.603  23.038
  747    HB   VAL 111           HB       VAL 111   0.646  11.924  24.214
  748   1HG1  VAL 111          1HG1      VAL 111   0.897  12.863  21.701
  749   2HG1  VAL 111          2HG1      VAL 111   1.896  11.417  21.559
  750   3HG1  VAL 111          3HG1      VAL 111   0.208  11.278  22.053
  751   1HG2  VAL 111          1HG2      VAL 111   3.531  11.306  23.703
  752   2HG2  VAL 111          2HG2      VAL 111   2.471  10.717  24.984
  753   3HG2  VAL 111          3HG2      VAL 111   2.333  10.060  23.353
  754    H    LYS 112           H        LYS 112   2.218  15.746  22.768
  755    HA   LYS 112           HA       LYS 112  -0.213  16.779  24.056
  756   1HB   LYS 112          2HB       LYS 112   1.509  17.987  21.871
  757   2HB   LYS 112          1HB       LYS 112   0.481  18.847  23.015
  758   1HG   LYS 112          1HG       LYS 112   2.762  17.099  23.945
  759   2HG   LYS 112          2HG       LYS 112   3.007  18.793  23.523
  760   1HD   LYS 112          1HD       LYS 112   1.153  19.371  25.143
  761   2HD   LYS 112          2HD       LYS 112   1.174  17.686  25.666
  762   1HE   LYS 112          1HE       LYS 112   2.747  18.426  27.165
  763   2HE   LYS 112          2HE       LYS 112   3.851  18.339  25.779
  764   1HZ   LYS 112          1HZ       LYS 112   2.572  20.666  25.345
  765   2HZ   LYS 112          2HZ       LYS 112   2.645  20.654  27.042
  766   3HZ   LYS 112          3HZ       LYS 112   4.073  20.540  26.130
  767    H    ILE 113           H        ILE 113  -2.189  17.176  22.985
  768    HA   ILE 113           HA       ILE 113  -2.445  16.762  20.085
  769    HB   ILE 113           HB       ILE 113  -2.359  14.481  20.955
  770   1HG1  ILE 113          1HG1      ILE 113  -4.130  15.288  19.198
  771   2HG1  ILE 113          2HG1      ILE 113  -4.261  13.666  19.871
  772   1HG2  ILE 113          1HG2      ILE 113  -4.498  15.496  22.838
  773   2HG2  ILE 113          2HG2      ILE 113  -4.201  13.777  22.571
  774   3HG2  ILE 113          3HG2      ILE 113  -2.933  14.797  23.253
  775   1HD1  ILE 113          1HD1      ILE 113  -5.634  15.671  21.508
  776   2HD1  ILE 113          2HD1      ILE 113  -6.269  15.583  19.865
  777   3HD1  ILE 113          3HD1      ILE 113  -6.232  14.138  20.875
  778    H    VAL 114           H        VAL 114  -4.609  17.351  19.326
  779    HA   VAL 114           HA       VAL 114  -6.108  19.005  21.323
  780    HB   VAL 114           HB       VAL 114  -5.170  19.340  18.578
  781   1HG1  VAL 114          1HG1      VAL 114  -8.114  19.697  19.138
  782   2HG1  VAL 114          2HG1      VAL 114  -7.285  20.697  17.945
  783   3HG1  VAL 114          3HG1      VAL 114  -7.344  18.947  17.739
  784   1HG2  VAL 114          1HG2      VAL 114  -4.836  20.827  20.612
  785   2HG2  VAL 114          2HG2      VAL 114  -5.337  21.661  19.140
  786   3HG2  VAL 114          3HG2      VAL 114  -6.514  21.332  20.412
  787    H    TYR 115           H        TYR 115  -7.905  17.943  22.043
  788    HA   TYR 115           HA       TYR 115  -9.128  15.802  20.436
  789   1HB   TYR 115          2HB       TYR 115  -9.677  15.070  22.508
  790   2HB   TYR 115          1HB       TYR 115  -8.760  16.429  23.145
  791    HD1  TYR 115           HD1      TYR 115  -9.953  18.614  23.628
  792    HD2  TYR 115           HD2      TYR 115 -12.045  14.982  22.686
  793    HE1  TYR 115           HE1      TYR 115 -12.031  19.567  24.576
  794    HE2  TYR 115           HE2      TYR 115 -14.127  15.937  23.638
  795    HH   TYR 115           HH       TYR 115 -14.741  17.700  25.308
  796    H    ASN 116           H        ASN 116 -11.432  15.839  19.861
  797    HA   ASN 116           HA       ASN 116 -13.434  16.878  19.121
  798   1HB   ASN 116          1HB       ASN 116 -12.617  18.292  21.356
  799   2HB   ASN 116          2HB       ASN 116 -12.728  19.551  20.129
  800   2HD2  ASN 116          2HD2      ASN 116 -14.564  18.760  22.510
  801   1HD2  ASN 116          1HD2      ASN 116 -16.105  18.660  21.807
  802    H    ALA 117           H        ALA 117 -11.043  16.760  17.502
  803    HA   ALA 117           HA       ALA 117 -10.406  19.251  16.234
  804   1HB   ALA 117          1HB       ALA 117  -9.386  16.793  16.197
  805   2HB   ALA 117          3HB       ALA 117  -9.154  17.883  14.830
  806   3HB   ALA 117          2HB       ALA 117 -10.403  16.639  14.763
  807    H    LYS 118           H        LYS 118 -13.260  17.383  16.169
  808    HA   LYS 118           HA       LYS 118 -14.175  17.714  13.495
  809   1HB   LYS 118          2HB       LYS 118 -16.378  17.323  14.523
  810   2HB   LYS 118          1HB       LYS 118 -15.169  16.273  15.264
  811   1HG   LYS 118          2HG       LYS 118 -15.669  17.144  17.277
  812   2HG   LYS 118          1HG       LYS 118 -15.159  18.732  16.704
  813   1HD   LYS 118          2HD       LYS 118 -17.475  18.859  17.474
  814   2HD   LYS 118          1HD       LYS 118 -17.431  19.062  15.723
  815   1HE   LYS 118          1HE       LYS 118 -18.865  17.317  15.533
  816   2HE   LYS 118          2HE       LYS 118 -17.626  16.261  16.238
  817    H    HIS 119           H        HIS 119 -13.605  20.056  15.932
  818    HA   HIS 119           HA       HIS 119 -15.626  21.998  15.151
  819   1HB   HIS 119          1HB       HIS 119 -13.042  22.061  16.729
  820   2HB   HIS 119          2HB       HIS 119 -14.081  23.475  16.551
  821    HD1  HIS 119           HD1      HIS 119 -16.798  22.697  17.086
  822    HD2  HIS 119           HD2      HIS 119 -13.687  20.735  19.048
  823    HE1  HIS 119           HE1      HIS 119 -17.814  21.622  19.142
  824    H    LEU 120           H        LEU 120 -12.376  21.186  14.103
  825    HA   LEU 120           HA       LEU 120 -11.346  23.429  12.895
  826   1HB   LEU 120          1HB       LEU 120 -11.307  20.560  12.518
  827   2HB   LEU 120          2HB       LEU 120 -11.185  21.374  10.958
  828    HG   LEU 120           HG       LEU 120  -9.536  22.758  12.862
  829   1HD1  LEU 120          1HD1      LEU 120  -9.736  20.210  13.722
  830   2HD1  LEU 120          2HD1      LEU 120  -8.473  20.001  12.509
  831   3HD1  LEU 120          3HD1      LEU 120  -8.238  21.135  13.838
  832   1HD2  LEU 120          1HD2      LEU 120  -9.505  21.871  10.173
  833   2HD2  LEU 120          2HD2      LEU 120  -8.334  22.926  10.964
  834   3HD2  LEU 120          3HD2      LEU 120  -8.073  21.182  10.937
  835    H    ASP 121           H        ASP 121 -11.891  24.764  11.169
  836    HA   ASP 121           HA       ASP 121 -14.509  25.042  10.221
  837   1HB   ASP 121          1HB       ASP 121 -11.885  26.077   9.714
  838   2HB   ASP 121          2HB       ASP 121 -12.675  25.797   8.162
  839    H    TYR 122           H        TYR 122 -11.808  23.387   8.535
  840    HA   TYR 122           HA       TYR 122 -13.306  22.442   6.308
  841   1HB   TYR 122          1HB       TYR 122 -10.862  22.468   6.445
  842   2HB   TYR 122          2HB       TYR 122 -10.901  21.316   7.779
  843    HD1  TYR 122           HD1      TYR 122 -12.463  21.590   4.368
  844    HD2  TYR 122           HD2      TYR 122 -10.344  19.141   7.190
  845    HE1  TYR 122           HE1      TYR 122 -12.470  19.713   2.746
  846    HE2  TYR 122           HE2      TYR 122 -10.350  17.265   5.569
  847    HH   TYR 122           HH       TYR 122 -11.555  17.689   2.274
  848    H    LEU 123           H        LEU 123 -12.963  21.211   9.587
  849    HA   LEU 123           HA       LEU 123 -14.289  18.654   8.988
  850   1HB   LEU 123          1HB       LEU 123 -12.903  20.026  11.210
  851   2HB   LEU 123          2HB       LEU 123 -14.199  18.943  11.715
  852    HG   LEU 123           HG       LEU 123 -11.852  17.912  11.464
  853   1HD1  LEU 123          1HD1      LEU 123 -13.931  16.585  11.626
  854   2HD1  LEU 123          2HD1      LEU 123 -14.162  16.738   9.884
  855   3HD1  LEU 123          3HD1      LEU 123 -12.784  15.836  10.515
  856   1HD2  LEU 123          1HD2      LEU 123 -11.525  19.129   9.217
  857   2HD2  LEU 123          2HD2      LEU 123 -11.050  17.432   9.280
  858   3HD2  LEU 123          3HD2      LEU 123 -12.578  17.893   8.530
  859    H    GLN 124           H        GLN 124 -15.110  21.782  10.446
  860    HA   GLN 124           HA       GLN 124 -17.676  21.077  11.504
  861   1HB   GLN 124          1HB       GLN 124 -16.134  23.167  11.772
  862   2HB   GLN 124          2HB       GLN 124 -16.962  23.762  10.333
  863   1HG   GLN 124          1HG       GLN 124 -19.071  23.767  11.415
  864   2HG   GLN 124          2HG       GLN 124 -18.495  22.732  12.722
  865   2HE2  GLN 124          2HE2      GLN 124 -17.693  23.778  14.575
  866   1HE2  GLN 124          1HE2      GLN 124 -17.374  25.442  14.672
  867    H    ASN 125           H        ASN 125 -16.574  21.726   8.252
  868    HA   ASN 125           HA       ASN 125 -18.814  22.608   6.874
  869   1HB   ASN 125          1HB       ASN 125 -16.363  21.443   6.313
  870   2HB   ASN 125          2HB       ASN 125 -17.508  20.288   5.633
  871   2HD2  ASN 125          2HD2      ASN 125 -15.802  23.074   4.870
  872   1HD2  ASN 125          1HD2      ASN 125 -16.794  23.664   3.625
  873    H    ARG 126           H        ARG 126 -18.372  19.505   8.450
  874    HA   ARG 126           HA       ARG 126 -21.129  18.724   7.558
  875   1HB   ARG 126          1HB       ARG 126 -18.611  17.058   7.873
  876   2HB   ARG 126          2HB       ARG 126 -20.210  16.376   7.580
  877   1HG   ARG 126          1HG       ARG 126 -20.324  17.224   5.413
  878   2HG   ARG 126          2HG       ARG 126 -19.187  18.528   5.756
  879   1HD   ARG 126          1HD       ARG 126 -17.339  16.879   5.891
  880   2HD   ARG 126          2HD       ARG 126 -18.487  15.576   5.527
  881    HE   ARG 126           HE       ARG 126 -18.999  17.096   3.424
  882   1HH1  ARG 126          1HH1      ARG 126 -16.174  15.606   4.460
  883   2HH1  ARG 126          2HH1      ARG 126 -15.141  16.351   3.286
  884   1HH2  ARG 126          1HH2      ARG 126 -17.582  18.526   2.129
  885   2HH2  ARG 126          2HH2      ARG 126 -15.939  18.004   1.966
  886    H    VAL 127           H        VAL 127 -21.027  20.081   9.882
  887    HA   VAL 127           HA       VAL 127 -20.306  18.948  12.304
  888    HB   VAL 127           HB       VAL 127 -22.585  19.992  13.056
  889   1HG1  VAL 127          1HG1      VAL 127 -20.073  21.080  12.259
  890   2HG1  VAL 127          2HG1      VAL 127 -21.330  22.202  11.735
  891   3HG1  VAL 127          3HG1      VAL 127 -21.216  21.735  13.432
  892   1HG2  VAL 127          1HG2      VAL 127 -23.157  19.749  10.381
  893   2HG2  VAL 127          2HG2      VAL 127 -23.975  20.860  11.480
  894   3HG2  VAL 127          3HG2      VAL 127 -22.638  21.431  10.484
  895    H    ILE 128           H        ILE 128 -21.370  17.481  13.786
  896    HA   ILE 128           HA       ILE 128 -22.933  15.357  12.404
  897    HB   ILE 128           HB       ILE 128 -21.399  15.571  15.007
  898   1HG1  ILE 128          1HG1      ILE 128 -20.886  13.532  12.889
  899   2HG1  ILE 128          2HG1      ILE 128 -20.425  15.197  12.539
  900   1HG2  ILE 128          1HG2      ILE 128 -23.147  13.345  13.938
  901   2HG2  ILE 128          2HG2      ILE 128 -21.877  13.062  15.129
  902   3HG2  ILE 128          3HG2      ILE 128 -23.232  14.124  15.518
  903   1HD1  ILE 128          1HD1      ILE 128 -19.661  13.921  15.158
  904   2HD1  ILE 128          2HD1      ILE 128 -18.687  13.648  13.714
  905   3HD1  ILE 128          3HD1      ILE 128 -18.907  15.285  14.332

  No H/Q in entry =         905
  Start of MODEL   12
    1    H2   PRO   1           H2       PRO   1   3.369   7.684  31.484
    2    H3   PRO   1           H3       PRO   1   4.419   6.805  30.473
    3    HA   PRO   1           HA       PRO   1   3.004   7.133  28.805
    4   1HB   PRO   1          1HB       PRO   1   0.708   5.802  29.472
    5   2HB   PRO   1          2HB       PRO   1   2.215   4.973  29.039
    6   1HG   PRO   1          1HG       PRO   1   1.043   5.507  31.726
    7   2HG   PRO   1          2HG       PRO   1   1.875   4.065  31.127
    8   1HD   PRO   1          1HD       PRO   1   3.058   5.939  32.716
    9   2HD   PRO   1          2HD       PRO   1   3.952   4.937  31.555
   10    H    THR   2           H        THR   2   2.964   9.494  29.849
   11    HA   THR   2           HA       THR   2   0.214  10.212  30.758
   12    HB   THR   2           HB       THR   2   2.883  11.656  30.713
   13    HG1  THR   2           HG1      THR   2   3.061  10.671  32.537
   14   1HG2  THR   2          1HG2      THR   2   0.115  12.561  31.481
   15   2HG2  THR   2          2HG2      THR   2   1.541  13.273  32.236
   16   3HG2  THR   2          3HG2      THR   2   1.313  13.395  30.491
   17    H    VAL   3           H        VAL   3  -1.145  11.342  29.405
   18    HA   VAL   3           HA       VAL   3   0.016  12.495  26.889
   19    HB   VAL   3           HB       VAL   3  -2.475  10.836  27.374
   20   1HG1  VAL   3          1HG1      VAL   3  -2.219  12.990  25.581
   21   2HG1  VAL   3          2HG1      VAL   3  -1.982  11.541  24.603
   22   3HG1  VAL   3          3HG1      VAL   3  -3.457  11.733  25.553
   23   1HG2  VAL   3          1HG2      VAL   3   0.200  10.321  26.410
   24   2HG2  VAL   3          2HG2      VAL   3  -1.109   9.176  26.700
   25   3HG2  VAL   3          3HG2      VAL   3  -0.972   9.981  25.137
   26    H    GLU   4           H        GLU   4  -0.347  14.681  26.896
   27    HA   GLU   4           HA       GLU   4  -2.392  15.853  28.667
   28   1HB   GLU   4          1HB       GLU   4   0.078  16.587  28.032
   29   2HB   GLU   4          2HB       GLU   4  -0.738  17.379  26.683
   30   1HG   GLU   4          1HG       GLU   4  -2.135  18.651  28.188
   31   2HG   GLU   4          2HG       GLU   4  -1.555  17.737  29.580
   32    H    TYR   5           H        TYR   5  -4.481  16.007  27.909
   33    HA   TYR   5           HA       TYR   5  -4.942  16.205  24.976
   34   1HB   TYR   5          1HB       TYR   5  -7.253  15.652  25.600
   35   2HB   TYR   5          2HB       TYR   5  -6.139  14.527  26.373
   36    HD1  TYR   5           HD1      TYR   5  -8.154  17.613  26.943
   37    HD2  TYR   5           HD2      TYR   5  -6.007  14.355  28.736
   38    HE1  TYR   5           HE1      TYR   5  -9.056  18.241  29.168
   39    HE2  TYR   5           HE2      TYR   5  -6.905  14.984  30.960
   40    HH   TYR   5           HH       TYR   5  -9.415  17.375  31.316
   41    H    LEU   6           H        LEU   6  -5.625  18.099  24.040
   42    HA   LEU   6           HA       LEU   6  -6.492  20.333  25.842
   43   1HB   LEU   6          1HB       LEU   6  -4.232  20.787  25.269
   44   2HB   LEU   6          2HB       LEU   6  -4.445  20.204  23.623
   45    HG   LEU   6           HG       LEU   6  -5.400  22.179  22.901
   46   1HD1  LEU   6          1HD1      LEU   6  -6.588  22.216  25.621
   47   2HD1  LEU   6          2HD1      LEU   6  -6.300  23.793  24.886
   48   3HD1  LEU   6          3HD1      LEU   6  -7.320  22.613  24.066
   49   1HD2  LEU   6          1HD2      LEU   6  -3.388  22.597  25.004
   50   2HD2  LEU   6          2HD2      LEU   6  -3.448  23.227  23.358
   51   3HD2  LEU   6          3HD2      LEU   6  -4.357  24.026  24.641
   52    H    ASN   7           H        ASN   7  -8.639  20.556  25.312
   53    HA   ASN   7           HA       ASN   7 -10.019  19.762  23.038
   54   1HB   ASN   7          2HB       ASN   7 -11.696  21.335  23.772
   55   2HB   ASN   7          1HB       ASN   7 -10.861  20.758  25.214
   56   2HD2  ASN   7          2HD2      ASN   7 -12.240  23.433  24.620
   57   1HD2  ASN   7          1HD2      ASN   7 -11.064  24.599  24.990
   58    H    TYR   8           H        TYR   8  -9.715  20.271  20.913
   59    HA   TYR   8           HA       TYR   8  -8.044  22.358  19.935
   60   1HB   TYR   8          1HB       TYR   8  -8.556  20.547  18.497
   61   2HB   TYR   8          2HB       TYR   8 -10.285  20.666  18.820
   62    HD1  TYR   8           HD1      TYR   8 -11.518  22.771  18.020
   63    HD2  TYR   8           HD2      TYR   8  -7.593  21.682  16.658
   64    HE1  TYR   8           HE1      TYR   8 -11.790  24.255  16.052
   65    HE2  TYR   8           HE2      TYR   8  -7.864  23.167  14.689
   66    HH   TYR   8           HH       TYR   8 -10.935  24.771  14.007
   67    H    GLU   9           H        GLU   9 -11.329  22.371  21.076
   68    HA   GLU   9           HA       GLU   9 -12.412  24.634  19.751
   69   1HB   GLU   9          1HB       GLU   9 -13.460  22.928  21.370
   70   2HB   GLU   9          2HB       GLU   9 -12.789  23.913  22.670
   71   1HG   GLU   9          1HG       GLU   9 -14.814  24.975  22.491
   72   2HG   GLU   9          2HG       GLU   9 -13.972  25.854  21.215
   73    H    THR  10           H        THR  10 -10.343  24.377  22.627
   74    HA   THR  10           HA       THR  10 -10.333  27.157  23.336
   75    HB   THR  10           HB       THR  10  -8.532  24.772  23.761
   76    HG1  THR  10           HG1      THR  10  -9.366  24.924  25.802
   77   1HG2  THR  10          1HG2      THR  10  -8.078  27.623  24.664
   78   2HG2  THR  10          2HG2      THR  10  -7.317  26.235  25.442
   79   3HG2  THR  10          3HG2      THR  10  -6.973  26.595  23.750
   80    H    LEU  11           H        LEU  11  -8.589  25.287  20.925
   81    HA   LEU  11           HA       LEU  11  -6.482  27.187  20.404
   82   1HB   LEU  11          1HB       LEU  11  -7.180  24.621  19.660
   83   2HB   LEU  11          2HB       LEU  11  -7.454  25.527  18.172
   84    HG   LEU  11           HG       LEU  11  -4.899  25.531  19.809
   85   1HD1  LEU  11          1HD1      LEU  11  -5.737  24.213  17.226
   86   2HD1  LEU  11          2HD1      LEU  11  -4.041  24.541  17.580
   87   3HD1  LEU  11          3HD1      LEU  11  -4.971  23.478  18.634
   88   1HD2  LEU  11          1HD2      LEU  11  -5.940  27.242  17.629
   89   2HD2  LEU  11          2HD2      LEU  11  -4.704  27.587  18.837
   90   3HD2  LEU  11          3HD2      LEU  11  -4.293  26.654  17.398
   91    H    ASP  12           H        ASP  12  -9.636  26.564  18.828
   92    HA   ASP  12           HA       ASP  12  -9.362  28.813  16.987
   93   1HB   ASP  12          1HB       ASP  12 -10.634  26.696  16.568
   94   2HB   ASP  12          2HB       ASP  12 -11.778  27.173  17.824
   95    H    ASP  13           H        ASP  13 -11.165  28.180  20.000
   96    HA   ASP  13           HA       ASP  13 -12.715  30.513  20.182
   97   1HB   ASP  13          1HB       ASP  13 -12.951  28.769  21.790
   98   2HB   ASP  13          2HB       ASP  13 -11.238  28.819  22.206
   99    H    GLN  14           H        GLN  14  -9.522  30.105  21.771
  100    HA   GLN  14           HA       GLN  14  -9.179  32.933  22.242
  101   1HB   GLN  14          1HB       GLN  14  -7.154  30.673  22.106
  102   2HB   GLN  14          2HB       GLN  14  -6.936  32.212  22.939
  103   1HG   GLN  14          1HG       GLN  14  -9.353  30.614  23.646
  104   2HG   GLN  14          2HG       GLN  14  -7.797  30.010  24.214
  105   2HE2  GLN  14          2HE2      GLN  14  -8.485  30.592  26.455
  106   1HE2  GLN  14          1HE2      GLN  14  -8.423  32.210  26.965
  107    H    GLY  15           H        GLY  15  -8.389  30.790  19.575
  108   1HA   GLY  15          2HA       GLY  15  -7.754  33.075  17.873
  109   2HA   GLY  15          1HA       GLY  15  -7.766  31.384  17.373
  110    H    TRP  16           H        TRP  16  -5.940  30.224  19.055
  111    HA   TRP  16           HA       TRP  16  -3.442  31.843  18.810
  112   1HB   TRP  16          1HB       TRP  16  -4.371  29.505  20.471
  113   2HB   TRP  16          2HB       TRP  16  -2.654  29.881  20.336
  114    HD1  TRP  16           HD1      TRP  16  -3.137  33.098  20.171
  115    HE1  TRP  16           HE1      TRP  16  -3.667  34.350  22.362
  116    HE3  TRP  16           HE3      TRP  16  -4.771  29.202  23.040
  117    HZ2  TRP  16           HZ2      TRP  16  -4.654  33.775  24.985
  118    HZ3  TRP  16           HZ3      TRP  16  -5.499  29.582  25.377
  119    HH2  TRP  16           HH2      TRP  16  -5.443  31.861  26.354
  120    H    ASP  17           H        ASP  17  -1.457  30.255  18.409
  121    HA   ASP  17           HA       ASP  17  -1.853  29.086  15.767
  122   1HB   ASP  17          1HB       ASP  17   0.313  29.807  17.626
  123   2HB   ASP  17          2HB       ASP  17   0.668  28.389  16.640
  124    H    MET  18           H        MET  18  -0.841  26.817  15.381
  125    HA   MET  18           HA       MET  18  -2.333  24.858  16.905
  126   1HB   MET  18          1HB       MET  18  -0.954  25.101  14.444
  127   2HB   MET  18          2HB       MET  18  -0.176  23.776  15.309
  128   1HG   MET  18          2HG       MET  18  -1.897  22.550  14.436
  129   2HG   MET  18          1HG       MET  18  -2.792  23.214  15.803
  130   1HE   MET  18          1HE       MET  18  -4.168  22.051  13.860
  131   2HE   MET  18          2HE       MET  18  -5.258  23.081  12.922
  132   3HE   MET  18          3HE       MET  18  -3.750  22.511  12.213
  133    H    ASP  19           H        ASP  19   1.179  25.500  16.564
  134    HA   ASP  19           HA       ASP  19   1.561  24.248  19.263
  135   1HB   ASP  19          1HB       ASP  19   3.200  23.925  16.728
  136   2HB   ASP  19          2HB       ASP  19   3.650  23.262  18.298
  137    H    ASP  20           H        ASP  20   1.768  27.042  17.532
  138    HA   ASP  20           HA       ASP  20   4.418  27.976  18.352
  139   1HB   ASP  20          1HB       ASP  20   2.613  28.615  16.417
  140   2HB   ASP  20          2HB       ASP  20   2.274  29.882  17.596
  141    H    ASP  21           H        ASP  21   1.058  28.808  19.307
  142    HA   ASP  21           HA       ASP  21   1.938  30.480  21.525
  143   1HB   ASP  21          1HB       ASP  21  -0.178  30.675  20.135
  144   2HB   ASP  21          2HB       ASP  21  -0.779  29.252  20.987
  145    H    ASP  22           H        ASP  22   2.095  27.206  21.182
  146    HA   ASP  22           HA       ASP  22   2.023  25.381  22.702
  147   1HB   ASP  22          1HB       ASP  22   3.380  27.740  23.792
  148   2HB   ASP  22          2HB       ASP  22   2.835  26.628  25.049
  149    H    LEU  23           H        LEU  23  -0.544  26.195  22.381
  150    HA   LEU  23           HA       LEU  23  -2.105  27.288  24.364
  151   1HB   LEU  23          1HB       LEU  23  -2.485  24.714  22.808
  152   2HB   LEU  23          2HB       LEU  23  -3.785  25.541  23.665
  153    HG   LEU  23           HG       LEU  23  -2.554  27.553  22.161
  154   1HD1  LEU  23          1HD1      LEU  23  -2.347  24.904  20.845
  155   2HD1  LEU  23          2HD1      LEU  23  -3.023  26.195  19.852
  156   3HD1  LEU  23          3HD1      LEU  23  -1.419  26.376  20.562
  157   1HD2  LEU  23          1HD2      LEU  23  -5.029  25.881  21.639
  158   2HD2  LEU  23          2HD2      LEU  23  -4.943  27.387  22.552
  159   3HD2  LEU  23          3HD2      LEU  23  -4.667  27.395  20.810
  160    H    PHE  24           H        PHE  24  -0.884  23.912  24.398
  161    HA   PHE  24           HA       PHE  24  -1.979  22.941  26.758
  162   1HB   PHE  24          1HB       PHE  24   0.777  22.710  25.526
  163   2HB   PHE  24          2HB       PHE  24   0.323  21.776  26.952
  164    HD1  PHE  24           HD1      PHE  24  -1.740  20.283  26.827
  165    HD2  PHE  24           HD2      PHE  24   0.088  22.042  23.361
  166    HE1  PHE  24           HE1      PHE  24  -2.898  18.634  25.380
  167    HE2  PHE  24           HE2      PHE  24  -1.071  20.396  21.915
  168    HZ   PHE  24           HZ       PHE  24  -2.563  18.691  22.923
  169    H    GLU  25           H        GLU  25   0.519  25.365  26.348
  170    HA   GLU  25           HA       GLU  25   1.220  25.451  29.207
  171   1HB   GLU  25          1HB       GLU  25   2.598  25.966  27.002
  172   2HB   GLU  25          2HB       GLU  25   1.896  27.573  27.191
  173   1HG   GLU  25          1HG       GLU  25   2.754  26.885  29.763
  174   2HG   GLU  25          2HG       GLU  25   4.041  26.308  28.705
  175    H    LYS  26           H        LYS  26  -0.382  27.661  26.883
  176    HA   LYS  26           HA       LYS  26  -1.152  29.602  28.872
  177   1HB   LYS  26          1HB       LYS  26  -1.594  28.988  26.014
  178   2HB   LYS  26          2HB       LYS  26  -2.895  29.903  26.776
  179   1HG   LYS  26          1HG       LYS  26  -1.641  31.771  26.698
  180   2HG   LYS  26          2HG       LYS  26  -0.389  30.982  27.657
  181   1HD   LYS  26          1HD       LYS  26  -0.439  30.076  24.867
  182   2HD   LYS  26          2HD       LYS  26  -0.112  31.802  25.026
  183   1HE   LYS  26          1HE       LYS  26   1.650  31.209  26.761
  184   2HE   LYS  26          2HE       LYS  26   1.425  29.512  26.296
  185   1HZ   LYS  26          1HZ       LYS  26   1.574  30.712  23.906
  186   2HZ   LYS  26          2HZ       LYS  26   2.622  31.699  24.806
  187   3HZ   LYS  26          3HZ       LYS  26   2.912  30.029  24.698
  188    H    ALA  27           H        ALA  27  -2.587  26.618  27.706
  189    HA   ALA  27           HA       ALA  27  -5.253  27.119  28.774
  190   1HB   ALA  27          1HB       ALA  27  -4.796  25.598  26.897
  191   2HB   ALA  27          3HB       ALA  27  -3.774  24.601  27.934
  192   3HB   ALA  27          2HB       ALA  27  -5.509  24.695  28.234
  193    H    ALA  28           H        ALA  28  -2.301  26.516  30.262
  194    HA   ALA  28           HA       ALA  28  -3.424  24.874  32.470
  195   1HB   ALA  28          1HB       ALA  28  -0.659  25.954  31.830
  196   2HB   ALA  28          3HB       ALA  28  -1.235  24.315  31.524
  197   3HB   ALA  28          2HB       ALA  28  -1.023  24.881  33.181
  198    H    ASP  29           H        ASP  29  -2.652  28.178  31.701
  199    HA   ASP  29           HA       ASP  29  -2.725  28.975  34.572
  200   1HB   ASP  29          1HB       ASP  29  -1.262  29.754  32.321
  201   2HB   ASP  29          2HB       ASP  29  -2.408  31.072  32.564
  202    H    ALA  30           H        ALA  30  -4.672  28.933  31.697
  203    HA   ALA  30           HA       ALA  30  -6.466  31.103  32.481
  204   1HB   ALA  30          1HB       ALA  30  -6.760  28.823  30.495
  205   2HB   ALA  30          3HB       ALA  30  -7.733  30.293  30.529
  206   3HB   ALA  30          2HB       ALA  30  -6.015  30.382  30.143
  207    H    GLY  31           H        GLY  31  -6.096  27.800  33.365
  208   1HA   GLY  31          2HA       GLY  31  -8.222  27.875  35.272
  209   2HA   GLY  31          1HA       GLY  31  -7.381  26.413  34.755
  210    H    LEU  32           H        LEU  32  -8.098  26.875  31.906
  211    HA   LEU  32           HA       LEU  32 -10.877  27.096  31.447
  212   1HB   LEU  32          1HB       LEU  32  -8.472  26.148  30.122
  213   2HB   LEU  32          2HB       LEU  32  -9.859  25.149  29.688
  214    HG   LEU  32           HG       LEU  32 -10.835  27.775  29.639
  215   1HD1  LEU  32          1HD1      LEU  32  -8.070  27.970  29.461
  216   2HD1  LEU  32          2HD1      LEU  32  -8.587  27.981  27.774
  217   3HD1  LEU  32          3HD1      LEU  32  -9.223  29.181  28.900
  218   1HD2  LEU  32          1HD2      LEU  32 -10.314  25.557  27.804
  219   2HD2  LEU  32          2HD2      LEU  32 -11.689  26.659  27.865
  220   3HD2  LEU  32          3HD2      LEU  32 -10.223  27.126  27.003
  221    H    ASP  33           H        ASP  33 -12.338  25.197  30.830
  222    HA   ASP  33           HA       ASP  33 -12.890  23.504  32.996
  223   1HB   ASP  33          1HB       ASP  33 -13.527  23.648  30.096
  224   2HB   ASP  33          2HB       ASP  33 -13.873  22.112  30.888
  225    H    GLY  34           H        GLY  34 -12.267  21.387  33.546
  226   1HA   GLY  34          2HA       GLY  34 -10.743  19.601  33.712
  227   2HA   GLY  34          1HA       GLY  34  -9.679  20.486  32.619
  228    H    GLU  35           H        GLU  35 -13.014  19.675  31.853
  229    HA   GLU  35           HA       GLU  35 -12.570  17.241  30.422
  230   1HB   GLU  35          1HB       GLU  35 -14.771  17.964  31.107
  231   2HB   GLU  35          2HB       GLU  35 -14.613  19.471  30.204
  232   1HG   GLU  35          1HG       GLU  35 -14.516  18.195  28.091
  233   2HG   GLU  35          2HG       GLU  35 -14.677  16.689  28.994
  234    H    ASP  36           H        ASP  36 -11.670  20.469  29.703
  235    HA   ASP  36           HA       ASP  36 -11.494  19.941  26.773
  236   1HB   ASP  36          1HB       ASP  36 -11.434  22.331  28.597
  237   2HB   ASP  36          2HB       ASP  36 -10.757  22.464  26.973
  238    H    TYR  37           H        TYR  37  -9.405  21.454  29.269
  239    HA   TYR  37           HA       TYR  37  -7.044  20.220  27.885
  240   1HB   TYR  37          1HB       TYR  37  -6.968  22.584  27.650
  241   2HB   TYR  37          2HB       TYR  37  -7.518  22.846  29.306
  242    HD1  TYR  37           HD1      TYR  37  -4.675  21.556  27.267
  243    HD2  TYR  37           HD2      TYR  37  -5.979  22.968  31.109
  244    HE1  TYR  37           HE1      TYR  37  -2.322  21.616  28.044
  245    HE2  TYR  37           HE2      TYR  37  -3.625  23.027  31.886
  246    HH   TYR  37           HH       TYR  37  -1.312  21.513  30.857
  247    H    GLY  38           H        GLY  38  -5.819  18.851  29.127
  248   1HA   GLY  38          2HA       GLY  38  -6.636  18.019  31.726
  249   2HA   GLY  38          1HA       GLY  38  -5.293  19.147  31.902
  250    H    THR  39           H        THR  39  -3.954  17.391  32.696
  251    HA   THR  39           HA       THR  39  -2.535  15.987  30.556
  252    HB   THR  39           HB       THR  39  -2.217  15.662  33.547
  253    HG1  THR  39           HG1      THR  39  -1.524  17.636  33.668
  254   1HG2  THR  39          1HG2      THR  39  -0.549  15.255  31.100
  255   2HG2  THR  39          2HG2      THR  39   0.262  15.762  32.582
  256   3HG2  THR  39          3HG2      THR  39  -0.668  14.265  32.554
  257    H    MET  40           H        MET  40  -3.312  14.070  29.766
  258    HA   MET  40           HA       MET  40  -5.176  12.431  31.355
  259   1HB   MET  40          1HB       MET  40  -4.729  13.011  28.663
  260   2HB   MET  40          2HB       MET  40  -4.191  11.341  28.828
  261   1HG   MET  40          1HG       MET  40  -6.310  10.639  29.666
  262   2HG   MET  40          2HG       MET  40  -6.835  12.301  29.937
  263   1HE   MET  40          1HE       MET  40  -5.606   9.756  27.269
  264   2HE   MET  40          2HE       MET  40  -7.206   9.339  27.877
  265   3HE   MET  40          3HE       MET  40  -7.003   9.788  26.185
  266    H    GLU  41           H        GLU  41  -4.704  10.307  32.083
  267    HA   GLU  41           HA       GLU  41  -1.828   9.466  31.900
  268   1HB   GLU  41          1HB       GLU  41  -3.687   9.901  34.186
  269   2HB   GLU  41          2HB       GLU  41  -2.619   8.502  34.299
  270   1HG   GLU  41          1HG       GLU  41  -0.685   9.812  34.269
  271   2HG   GLU  41          2HG       GLU  41  -1.493  11.164  33.476
  272    H    VAL  42           H        VAL  42  -1.968   7.693  30.524
  273    HA   VAL  42           HA       VAL  42  -4.090   5.659  31.139
  274    HB   VAL  42           HB       VAL  42  -4.175   5.217  28.792
  275   1HG1  VAL  42          1HG1      VAL  42  -4.718   7.726  29.808
  276   2HG1  VAL  42          2HG1      VAL  42  -3.707   8.091  28.409
  277   3HG1  VAL  42          3HG1      VAL  42  -5.190   7.158  28.206
  278   1HG2  VAL  42          1HG2      VAL  42  -1.440   6.254  28.896
  279   2HG2  VAL  42          2HG2      VAL  42  -2.174   5.144  27.738
  280   3HG2  VAL  42          3HG2      VAL  42  -2.354   6.886  27.527
  281    H    ALA  43           H        ALA  43  -3.416   3.473  31.223
  282    HA   ALA  43           HA       ALA  43  -0.730   2.946  32.090
  283   1HB   ALA  43          1HB       ALA  43  -3.140   1.738  32.282
  284   2HB   ALA  43          3HB       ALA  43  -1.627   0.877  32.555
  285   3HB   ALA  43          2HB       ALA  43  -2.434   0.765  30.992
  286    H    GLU  44           H        GLU  44   0.748   1.355  30.979
  287    HA   GLU  44           HA       GLU  44   1.393   2.188  28.306
  288   1HB   GLU  44          1HB       GLU  44   2.271   0.155  30.305
  289   2HB   GLU  44          2HB       GLU  44   2.777  -0.100  28.634
  290   1HG   GLU  44          1HG       GLU  44   3.315   2.545  28.885
  291   2HG   GLU  44          2HG       GLU  44   3.569   2.026  30.551
  292    H    GLY  45           H        GLY  45   0.345   1.568  26.460
  293   1HA   GLY  45          2HA       GLY  45  -0.450  -1.239  26.105
  294   2HA   GLY  45          1HA       GLY  45  -0.519   0.019  24.873
  295    H    GLU  46           H        GLU  46  -1.900   1.526  27.366
  296    HA   GLU  46           HA       GLU  46  -4.551   0.229  27.309
  297   1HB   GLU  46          1HB       GLU  46  -3.521   1.229  29.351
  298   2HB   GLU  46          2HB       GLU  46  -3.565   2.810  28.572
  299   1HG   GLU  46          1HG       GLU  46  -5.671   3.068  29.328
  300   2HG   GLU  46          2HG       GLU  46  -6.163   1.725  28.297
  301    H    TYR  47           H        TYR  47  -6.154   0.829  25.904
  302    HA   TYR  47           HA       TYR  47  -5.775   2.594  23.723
  303   1HB   TYR  47          1HB       TYR  47  -8.377   1.830  25.082
  304   2HB   TYR  47          2HB       TYR  47  -8.152   2.238  23.380
  305    HD1  TYR  47           HD1      TYR  47  -5.465   0.786  23.047
  306    HD2  TYR  47           HD2      TYR  47  -9.210  -0.420  24.772
  307    HE1  TYR  47           HE1      TYR  47  -4.929  -1.584  22.553
  308    HE2  TYR  47           HE2      TYR  47  -8.674  -2.791  24.277
  309    HH   TYR  47           HH       TYR  47  -5.904  -3.989  23.813
  310    H    ILE  48           H        ILE  48  -5.606   4.792  23.747
  311    HA   ILE  48           HA       ILE  48  -5.876   6.514  25.925
  312    HB   ILE  48           HB       ILE  48  -6.370   6.963  22.965
  313   1HG1  ILE  48          1HG1      ILE  48  -4.135   6.027  23.752
  314   2HG1  ILE  48          2HG1      ILE  48  -4.045   7.552  22.870
  315   1HG2  ILE  48          1HG2      ILE  48  -7.291   8.782  24.448
  316   2HG2  ILE  48          2HG2      ILE  48  -5.661   9.014  25.083
  317   3HG2  ILE  48          3HG2      ILE  48  -5.995   9.318  23.379
  318   1HD1  ILE  48          1HD1      ILE  48  -4.243   7.478  25.883
  319   2HD1  ILE  48          2HD1      ILE  48  -2.687   7.378  25.057
  320   3HD1  ILE  48          3HD1      ILE  48  -3.704   8.805  24.854
  321    H    LEU  49           H        LEU  49  -8.296   6.557  23.290
  322    HA   LEU  49           HA       LEU  49 -10.351   7.934  24.478
  323   1HB   LEU  49          1HB       LEU  49 -10.196   6.805  22.191
  324   2HB   LEU  49          2HB       LEU  49 -10.765   5.335  22.982
  325    HG   LEU  49           HG       LEU  49 -12.596   7.098  23.917
  326   1HD1  LEU  49          1HD1      LEU  49 -11.635   8.966  22.614
  327   2HD1  LEU  49          2HD1      LEU  49 -11.863   8.044  21.127
  328   3HD1  LEU  49          3HD1      LEU  49 -13.262   8.579  22.057
  329   1HD2  LEU  49          1HD2      LEU  49 -12.690   5.687  21.232
  330   2HD2  LEU  49          2HD2      LEU  49 -13.053   4.949  22.792
  331   3HD2  LEU  49          3HD2      LEU  49 -14.092   6.225  22.156
  332    H    GLU  50           H        GLU  50  -9.460   4.569  25.164
  333    HA   GLU  50           HA       GLU  50 -11.765   3.976  26.813
  334   1HB   GLU  50          1HB       GLU  50 -10.168   2.393  25.619
  335   2HB   GLU  50          2HB       GLU  50  -8.995   2.752  26.887
  336   1HG   GLU  50          1HG       GLU  50 -10.357   1.793  28.572
  337   2HG   GLU  50          2HG       GLU  50 -11.789   1.813  27.543
  338    H    ALA  51           H        ALA  51  -8.360   4.753  27.626
  339    HA   ALA  51           HA       ALA  51  -8.615   4.801  30.436
  340   1HB   ALA  51          1HB       ALA  51  -6.910   6.593  28.687
  341   2HB   ALA  51          2HB       ALA  51  -6.548   6.074  30.333
  342   3HB   ALA  51          3HB       ALA  51  -6.538   4.902  29.015
  343    H    ALA  52           H        ALA  52  -9.150   7.408  28.087
  344    HA   ALA  52           HA       ALA  52  -9.838   9.363  30.155
  345   1HB   ALA  52          1HB       ALA  52  -9.085   9.324  27.442
  346   2HB   ALA  52          3HB       ALA  52 -10.716   9.993  27.464
  347   3HB   ALA  52          2HB       ALA  52  -9.440  10.749  28.419
  348    H    GLU  53           H        GLU  53 -11.558   7.008  28.221
  349    HA   GLU  53           HA       GLU  53 -14.177   8.153  28.305
  350   1HB   GLU  53          1HB       GLU  53 -12.853   5.645  27.657
  351   2HB   GLU  53          2HB       GLU  53 -14.419   5.364  28.415
  352   1HG   GLU  53          1HG       GLU  53 -13.908   7.160  26.024
  353   2HG   GLU  53          2HG       GLU  53 -14.666   5.568  25.973
  354    H    ALA  54           H        ALA  54 -12.464   6.003  30.543
  355    HA   ALA  54           HA       ALA  54 -14.669   5.662  32.379
  356   1HB   ALA  54          1HB       ALA  54 -11.918   5.512  33.429
  357   2HB   ALA  54          3HB       ALA  54 -12.168   4.586  31.949
  358   3HB   ALA  54          2HB       ALA  54 -13.163   4.265  33.370
  359    H    GLN  55           H        GLN  55 -12.787   8.367  31.650
  360    HA   GLN  55           HA       GLN  55 -12.945   9.493  34.410
  361   1HB   GLN  55          1HB       GLN  55 -11.421  10.031  31.883
  362   2HB   GLN  55          2HB       GLN  55 -11.632  11.349  33.034
  363   1HG   GLN  55          1HG       GLN  55 -10.919   9.026  34.521
  364   2HG   GLN  55          2HG       GLN  55  -9.796   9.150  33.167
  365   2HE2  GLN  55          2HE2      GLN  55  -7.954  10.172  33.993
  366   1HE2  GLN  55          1HE2      GLN  55  -7.972  11.592  34.922
  367    H    GLY  56           H        GLY  56 -14.226   9.892  31.146
  368   1HA   GLY  56          2HA       GLY  56 -15.927  12.132  32.168
  369   2HA   GLY  56          1HA       GLY  56 -16.575  10.855  31.139
  370    H    TYR  57           H        TYR  57 -13.614  11.186  29.910
  371    HA   TYR  57           HA       TYR  57 -13.849  13.709  28.455
  372   1HB   TYR  57          1HB       TYR  57 -12.078  11.257  28.189
  373   2HB   TYR  57          2HB       TYR  57 -11.834  12.754  27.286
  374    HD1  TYR  57           HD1      TYR  57 -12.057  14.945  28.952
  375    HD2  TYR  57           HD2      TYR  57 -10.734  11.012  30.052
  376    HE1  TYR  57           HE1      TYR  57 -10.826  15.897  30.885
  377    HE2  TYR  57           HE2      TYR  57  -9.502  11.959  31.977
  378    HH   TYR  57           HH       TYR  57  -9.745  14.116  33.430
  379    H    ASP  58           H        ASP  58 -15.726  13.683  27.155
  380    HA   ASP  58           HA       ASP  58 -16.383  11.350  25.493
  381   1HB   ASP  58          1HB       ASP  58 -17.475  14.140  25.902
  382   2HB   ASP  58          2HB       ASP  58 -18.153  13.046  24.696
  383    H    TRP  59           H        TRP  59 -15.626  11.045  23.437
  384    HA   TRP  59           HA       TRP  59 -14.153  13.292  22.126
  385   1HB   TRP  59          2HB       TRP  59 -14.173  10.293  21.644
  386   2HB   TRP  59          1HB       TRP  59 -13.083  11.448  20.878
  387    HD1  TRP  59           HD1      TRP  59 -13.943  10.006  24.336
  388    HE1  TRP  59           HE1      TRP  59 -11.886  10.275  25.867
  389    HE3  TRP  59           HE3      TRP  59 -10.882  12.679  21.243
  390    HZ2  TRP  59           HZ2      TRP  59  -9.285  11.467  25.792
  391    HZ3  TRP  59           HZ3      TRP  59  -8.624  13.366  21.996
  392    HH2  TRP  59           HH2      TRP  59  -7.824  12.763  24.265
  393    HA   PRO  60           HA       PRO  60 -17.110  13.624  18.910
  394   1HB   PRO  60          1HB       PRO  60 -15.531  13.910  16.687
  395   2HB   PRO  60          2HB       PRO  60 -15.736  15.186  17.902
  396   1HG   PRO  60          2HG       PRO  60 -13.505  13.235  17.551
  397   2HG   PRO  60          1HG       PRO  60 -13.442  14.954  17.971
  398   1HD   PRO  60          1HD       PRO  60 -13.171  12.964  19.804
  399   2HD   PRO  60          2HD       PRO  60 -13.857  14.553  20.197
  400    H    PHE  61           H        PHE  61 -17.947  11.431  19.042
  401    HA   PHE  61           HA       PHE  61 -16.732   9.163  17.761
  402   1HB   PHE  61          1HB       PHE  61 -18.794   9.656  19.476
  403   2HB   PHE  61          2HB       PHE  61 -19.682   9.320  17.990
  404    HD1  PHE  61           HD1      PHE  61 -18.571   7.254  16.590
  405    HD2  PHE  61           HD2      PHE  61 -18.372   7.826  20.842
  406    HE1  PHE  61           HE1      PHE  61 -18.163   4.826  16.898
  407    HE2  PHE  61           HE2      PHE  61 -17.964   5.399  21.149
  408    HZ   PHE  61           HZ       PHE  61 -17.860   3.899  19.177
  409    H    SER  62           H        SER  62 -16.199  10.488  15.681
  410    HA   SER  62           HA       SER  62 -18.414  11.027  13.846
  411   1HB   SER  62          1HB       SER  62 -16.482  12.397  13.667
  412   2HB   SER  62          2HB       SER  62 -15.395  11.009  13.720
  413    HG   SER  62           HG       SER  62 -15.600  11.742  11.604
  414    H    CYS  63           H        CYS  63 -17.044   8.190  14.906
  415    HA   CYS  63           HA       CYS  63 -16.522   6.640  12.596
  416   1HB   CYS  63          1HB       CYS  63 -16.797   6.327  15.377
  417   2HB   CYS  63          2HB       CYS  63 -17.956   5.198  14.676
  418    H    ARG  64           H        ARG  64 -17.907   5.260  11.341
  419    HA   ARG  64           HA       ARG  64 -20.815   5.996  11.452
  420   1HB   ARG  64          1HB       ARG  64 -19.715   6.847   9.473
  421   2HB   ARG  64          2HB       ARG  64 -18.945   5.289   9.173
  422   1HG   ARG  64          1HG       ARG  64 -20.911   4.312   8.411
  423   2HG   ARG  64          2HG       ARG  64 -21.936   5.404   9.343
  424   1HD   ARG  64          1HD       ARG  64 -20.239   6.381   7.028
  425   2HD   ARG  64          2HD       ARG  64 -21.908   5.818   6.815
  426    HE   ARG  64           HE       ARG  64 -21.173   8.029   8.708
  427   1HH1  ARG  64          1HH1      ARG  64 -23.872   6.353   8.126
  428   2HH1  ARG  64          2HH1      ARG  64 -24.806   7.636   7.431
  429   1HH2  ARG  64          1HH2      ARG  64 -22.095   9.767   7.066
  430   2HH2  ARG  64          2HH2      ARG  64 -23.799   9.568   6.831
  431    H    ALA  65           H        ALA  65 -18.572   3.353  10.525
  432    HA   ALA  65           HA       ALA  65 -20.360   1.372  11.777
  433   1HB   ALA  65          1HB       ALA  65 -20.596   2.119   9.042
  434   2HB   ALA  65          2HB       ALA  65 -19.879   0.507   9.075
  435   3HB   ALA  65          3HB       ALA  65 -21.425   0.801   9.870
  436    H    GLY  66           H        GLY  66 -18.397   0.945  13.013
  437   1HA   GLY  66          2HA       GLY  66 -16.748  -1.131  11.926
  438   2HA   GLY  66          1HA       GLY  66 -16.450  -0.292  13.448
  439    H    ALA  67           H        ALA  67 -14.642   0.950  13.498
  440    HA   ALA  67           HA       ALA  67 -12.796   2.218  12.743
  441   1HB   ALA  67          1HB       ALA  67 -11.623   0.998  11.205
  442   2HB   ALA  67          2HB       ALA  67 -12.948  -0.152  11.386
  443   3HB   ALA  67          3HB       ALA  67 -12.956   0.999  10.050
  444    H    CYS  68           H        CYS  68 -12.173   3.896  11.093
  445    HA   CYS  68           HA       CYS  68 -14.090   4.775   9.098
  446   1HB   CYS  68          2HB       CYS  68 -14.986   6.672  10.290
  447   2HB   CYS  68          1HB       CYS  68 -15.182   5.270  11.340
  448    H    ALA  69           H        ALA  69 -11.168   4.345   9.419
  449    HA   ALA  69           HA       ALA  69  -9.156   5.416   8.792
  450   1HB   ALA  69          1HB       ALA  69 -10.960   5.982   6.978
  451   2HB   ALA  69          3HB       ALA  69  -9.455   6.901   6.988
  452   3HB   ALA  69          2HB       ALA  69 -10.918   7.596   7.687
  453    H    ASN  70           H        ASN  70  -8.373   6.046  10.865
  454    HA   ASN  70           HA       ASN  70  -7.741   7.578  12.551
  455   1HB   ASN  70          1HB       ASN  70  -7.913   8.890  10.022
  456   2HB   ASN  70          2HB       ASN  70  -8.545  10.003  11.238
  457   2HD2  ASN  70          2HD2      ASN  70  -5.680   9.041   9.779
  458   1HD2  ASN  70          1HD2      ASN  70  -4.592   9.503  10.998
  459    H    CYS  71           H        CYS  71  -8.714   9.084  14.148
  460    HA   CYS  71           HA       CYS  71 -11.696   8.862  14.163
  461   1HB   CYS  71          1HB       CYS  71  -9.713   9.362  16.406
  462   2HB   CYS  71          2HB       CYS  71 -11.430   9.001  16.592
  463    H    ALA  72           H        ALA  72  -9.581  11.126  15.931
  464    HA   ALA  72           HA       ALA  72 -10.069  13.463  14.394
  465   1HB   ALA  72          1HB       ALA  72 -12.251  12.502  16.177
  466   2HB   ALA  72          3HB       ALA  72 -11.925  14.234  16.204
  467   3HB   ALA  72          2HB       ALA  72 -12.352  13.441  14.688
  468    H    SER  73           H        SER  73  -7.911  13.782  15.255
  469    HA   SER  73           HA       SER  73  -7.865  15.266  17.784
  470   1HB   SER  73          1HB       SER  73  -6.359  13.720  18.916
  471   2HB   SER  73          2HB       SER  73  -7.793  12.826  18.408
  472    HG   SER  73           HG       SER  73  -5.416  12.129  17.888
  473    H    ILE  74           H        ILE  74  -5.456  15.947  18.206
  474    HA   ILE  74           HA       ILE  74  -3.890  16.032  15.664
  475    HB   ILE  74           HB       ILE  74  -4.627  18.404  17.407
  476   1HG1  ILE  74          1HG1      ILE  74  -6.535  17.465  16.091
  477   2HG1  ILE  74          2HG1      ILE  74  -6.072  19.082  15.559
  478   1HG2  ILE  74          1HG2      ILE  74  -2.394  18.401  16.146
  479   2HG2  ILE  74          2HG2      ILE  74  -3.354  18.411  14.666
  480   3HG2  ILE  74          3HG2      ILE  74  -3.483  19.748  15.809
  481   1HD1  ILE  74          1HD1      ILE  74  -5.016  16.552  14.268
  482   2HD1  ILE  74          2HD1      ILE  74  -6.448  17.404  13.689
  483   3HD1  ILE  74          3HD1      ILE  74  -4.878  18.205  13.666
  484    H    VAL  75           H        VAL  75  -2.473  14.528  16.865
  485    HA   VAL  75           HA       VAL  75  -1.321  14.934  19.396
  486    HB   VAL  75           HB       VAL  75  -1.069  12.935  17.970
  487   1HG1  VAL  75          1HG1      VAL  75  -0.658  14.560  15.912
  488   2HG1  VAL  75          2HG1      VAL  75   1.034  14.336  16.359
  489   3HG1  VAL  75          3HG1      VAL  75   0.042  12.941  15.932
  490   1HG2  VAL  75          1HG2      VAL  75   0.914  14.130  19.561
  491   2HG2  VAL  75          2HG2      VAL  75   0.824  12.434  19.088
  492   3HG2  VAL  75          3HG2      VAL  75   1.761  13.571  18.119
  493    H    LYS  76           H        LYS  76  -0.263  16.749  20.124
  494    HA   LYS  76           HA       LYS  76   1.129  18.513  18.181
  495   1HB   LYS  76          1HB       LYS  76   0.463  18.730  21.134
  496   2HB   LYS  76          2HB       LYS  76   1.187  20.020  20.172
  497   1HG   LYS  76          1HG       LYS  76  -1.113  19.009  18.783
  498   2HG   LYS  76          2HG       LYS  76  -1.575  19.387  20.441
  499   1HD   LYS  76          1HD       LYS  76  -1.281  21.625  20.137
  500   2HD   LYS  76          2HD       LYS  76   0.174  21.396  19.167
  501   1HE   LYS  76          1HE       LYS  76  -1.771  22.358  17.863
  502   2HE   LYS  76          2HE       LYS  76  -1.179  20.821  17.205
  503   1HZ   LYS  76          1HZ       LYS  76  -3.360  21.043  19.215
  504   2HZ   LYS  76          2HZ       LYS  76  -3.635  20.896  17.545
  505   3HZ   LYS  76          3HZ       LYS  76  -2.865  19.641  18.392
  506    H    GLU  77           H        GLU  77   1.899  15.928  20.247
  507    HA   GLU  77           HA       GLU  77   4.735  16.165  19.781
  508   1HB   GLU  77          1HB       GLU  77   3.852  17.939  21.624
  509   2HB   GLU  77          2HB       GLU  77   4.147  16.552  22.672
  510   1HG   GLU  77          2HG       GLU  77   6.338  17.073  22.647
  511   2HG   GLU  77          1HG       GLU  77   6.362  16.684  20.927
  512    H    GLY  78           H        GLY  78   5.917  14.369  20.808
  513   1HA   GLY  78          2HA       GLY  78   4.324  12.395  22.317
  514   2HA   GLY  78          1HA       GLY  78   6.055  12.301  22.000
  515    H    GLU  79           H        GLU  79   3.839  10.309  21.530
  516    HA   GLU  79           HA       GLU  79   3.521  10.085  18.639
  517   1HB   GLU  79          1HB       GLU  79   5.976   9.611  19.150
  518   2HB   GLU  79          2HB       GLU  79   5.428   8.174  20.013
  519   1HG   GLU  79          1HG       GLU  79   4.528   7.204  18.038
  520   2HG   GLU  79          2HG       GLU  79   4.606   8.732  17.160
  521    H    ILE  80           H        ILE  80   2.285   8.139  18.081
  522    HA   ILE  80           HA       ILE  80   1.077   6.764  20.462
  523    HB   ILE  80           HB       ILE  80  -0.167   7.811  17.901
  524   1HG1  ILE  80          1HG1      ILE  80  -0.824   8.474  20.780
  525   2HG1  ILE  80          2HG1      ILE  80   0.341   9.399  19.831
  526   1HG2  ILE  80          1HG2      ILE  80  -0.998   5.526  18.863
  527   2HG2  ILE  80          2HG2      ILE  80  -1.691   6.515  20.150
  528   3HG2  ILE  80          3HG2      ILE  80  -2.188   6.770  18.477
  529   1HD1  ILE  80          1HD1      ILE  80  -1.725   9.336  18.083
  530   2HD1  ILE  80          2HD1      ILE  80  -2.619   9.274  19.602
  531   3HD1  ILE  80          3HD1      ILE  80  -1.521  10.616  19.279
  532    H    ASP  81           H        ASP  81   0.536   4.541  20.138
  533    HA   ASP  81           HA       ASP  81   1.806   3.297  17.723
  534   1HB   ASP  81          1HB       ASP  81   1.898   2.842  20.589
  535   2HB   ASP  81          2HB       ASP  81   1.393   1.381  19.741
  536    H    MET  82           H        MET  82   0.523   1.990  16.437
  537    HA   MET  82           HA       MET  82  -2.174   1.198  17.465
  538   1HB   MET  82          1HB       MET  82  -1.479   2.577  14.849
  539   2HB   MET  82          2HB       MET  82  -3.073   1.931  15.240
  540   1HG   MET  82          1HG       MET  82  -3.579   3.747  16.479
  541   2HG   MET  82          2HG       MET  82  -2.078   3.607  17.392
  542   1HE   MET  82          1HE       MET  82  -3.762   4.451  14.228
  543   2HE   MET  82          2HE       MET  82  -2.915   5.817  13.507
  544   3HE   MET  82          3HE       MET  82  -2.275   4.177  13.324
  545    H    ASP  83           H        ASP  83  -3.066  -0.663  16.303
  546    HA   ASP  83           HA       ASP  83  -0.947  -2.446  15.237
  547   1HB   ASP  83          1HB       ASP  83  -3.773  -2.728  16.259
  548   2HB   ASP  83          2HB       ASP  83  -2.987  -4.060  15.409
  549    H    MET  84           H        MET  84  -1.562  -3.805  13.283
  550    HA   MET  84           HA       MET  84  -1.950  -2.383  10.947
  551   1HB   MET  84          1HB       MET  84  -2.520  -4.535   9.967
  552   2HB   MET  84          2HB       MET  84  -1.353  -4.813  11.259
  553   1HG   MET  84          1HG       MET  84  -3.722  -4.941  12.632
  554   2HG   MET  84          2HG       MET  84  -4.184  -5.623  11.073
  555   1HE   MET  84          1HE       MET  84  -4.698  -6.982  13.196
  556   2HE   MET  84          2HE       MET  84  -4.284  -8.563  12.537
  557   3HE   MET  84          3HE       MET  84  -3.562  -8.033  14.054
  558    H    GLN  85           H        GLN  85  -3.610  -1.071  10.316
  559    HA   GLN  85           HA       GLN  85  -6.404  -1.996  10.627
  560   1HB   GLN  85          1HB       GLN  85  -5.076   0.217  12.136
  561   2HB   GLN  85          2HB       GLN  85  -6.745   0.467  11.621
  562   1HG   GLN  85          1HG       GLN  85  -7.246  -1.828  12.642
  563   2HG   GLN  85          2HG       GLN  85  -5.653  -1.729  13.392
  564   2HE2  GLN  85          2HE2      GLN  85  -8.908  -0.338  13.396
  565   1HE2  GLN  85          1HE2      GLN  85  -8.709   0.577  14.811
  566    H    GLN  86           H        GLN  86  -4.649   1.064   9.933
  567    HA   GLN  86           HA       GLN  86  -5.692   0.997   7.149
  568   1HB   GLN  86          1HB       GLN  86  -6.563   2.746   9.381
  569   2HB   GLN  86          2HB       GLN  86  -6.268   3.565   7.849
  570   1HG   GLN  86          1HG       GLN  86  -8.090   2.628   6.871
  571   2HG   GLN  86          2HG       GLN  86  -7.749   1.043   7.562
  572   2HE2  GLN  86          2HE2      GLN  86  -9.855   0.608   8.423
  573   1HE2  GLN  86          1HE2      GLN  86 -10.565   1.551   9.644
  574    H    ILE  87           H        ILE  87  -4.435   2.300   5.724
  575    HA   ILE  87           HA       ILE  87  -1.693   2.776   6.505
  576    HB   ILE  87           HB       ILE  87  -3.431   3.341   4.103
  577   1HG1  ILE  87          1HG1      ILE  87  -2.543   1.015   4.737
  578   2HG1  ILE  87          2HG1      ILE  87  -2.202   1.568   3.099
  579   1HG2  ILE  87          1HG2      ILE  87  -0.553   4.147   4.573
  580   2HG2  ILE  87          2HG2      ILE  87  -1.227   3.944   2.955
  581   3HG2  ILE  87          3HG2      ILE  87  -1.890   5.166   4.041
  582   1HD1  ILE  87          1HD1      ILE  87  -0.263   1.991   5.384
  583   2HD1  ILE  87          2HD1      ILE  87  -0.230   0.545   4.374
  584   3HD1  ILE  87          3HD1      ILE  87   0.052   2.130   3.654
  585    H    LEU  88           H        LEU  88  -0.640   4.769   6.844
  586    HA   LEU  88           HA       LEU  88  -2.373   7.208   7.023
  587   1HB   LEU  88          1HB       LEU  88  -1.004   5.688   9.088
  588   2HB   LEU  88          2HB       LEU  88  -0.416   7.351   9.041
  589    HG   LEU  88           HG       LEU  88  -3.240   7.457   8.730
  590   1HD1  LEU  88          1HD1      LEU  88  -2.266   5.521  10.828
  591   2HD1  LEU  88          2HD1      LEU  88  -3.762   6.429  11.054
  592   3HD1  LEU  88          3HD1      LEU  88  -3.596   5.327   9.686
  593   1HD2  LEU  88          1HD2      LEU  88  -1.145   8.611  10.284
  594   2HD2  LEU  88          2HD2      LEU  88  -2.788   9.212  10.064
  595   3HD2  LEU  88          3HD2      LEU  88  -2.420   8.116  11.396
  596    H    SER  89           H        SER  89  -1.285   9.145   6.436
  597    HA   SER  89           HA       SER  89   1.394   8.737   5.169
  598   1HB   SER  89          1HB       SER  89  -1.064   9.950   4.407
  599   2HB   SER  89          2HB       SER  89   0.125  11.244   4.553
  600    HG   SER  89           HG       SER  89   0.119  10.254   2.477
  601    H    ASP  90           H        ASP  90   3.142   9.709   6.118
  602    HA   ASP  90           HA       ASP  90   3.217  10.962   8.592
  603   1HB   ASP  90          1HB       ASP  90   5.097  10.185   7.040
  604   2HB   ASP  90          2HB       ASP  90   4.950  11.749   6.239
  605    H    GLU  91           H        GLU  91   2.786  12.535   5.429
  606    HA   GLU  91           HA       GLU  91   2.796  15.239   6.229
  607   1HB   GLU  91          1HB       GLU  91   2.684  14.262   3.906
  608   2HB   GLU  91          2HB       GLU  91   0.981  13.906   4.192
  609   1HG   GLU  91          1HG       GLU  91   0.602  16.336   4.657
  610   2HG   GLU  91          2HG       GLU  91   2.284  16.646   4.226
  611    H    GLU  92           H        GLU  92   0.440  12.738   6.801
  612    HA   GLU  92           HA       GLU  92  -1.768  14.545   7.454
  613   1HB   GLU  92          1HB       GLU  92  -1.779  12.091   6.607
  614   2HB   GLU  92          2HB       GLU  92  -1.439  11.655   8.281
  615   1HG   GLU  92          1HG       GLU  92  -3.477  12.662   9.047
  616   2HG   GLU  92          2HG       GLU  92  -3.753  13.438   7.487
  617    H    VAL  93           H        VAL  93   0.668  12.678   9.262
  618    HA   VAL  93           HA       VAL  93  -0.368  13.503  11.872
  619    HB   VAL  93           HB       VAL  93   0.906  11.359  11.132
  620   1HG1  VAL  93          1HG1      VAL  93   2.840  13.222  10.438
  621   2HG1  VAL  93          2HG1      VAL  93   3.429  12.590  11.974
  622   3HG1  VAL  93          3HG1      VAL  93   3.112  11.490  10.632
  623   1HG2  VAL  93          1HG2      VAL  93   0.832  12.849  13.600
  624   2HG2  VAL  93          2HG2      VAL  93   0.816  11.101  13.364
  625   3HG2  VAL  93          3HG2      VAL  93   2.352  11.960  13.489
  626    H    GLU  94           H        GLU  94   1.528  15.017   9.492
  627    HA   GLU  94           HA       GLU  94   3.021  16.671  11.479
  628   1HB   GLU  94          1HB       GLU  94   3.501  15.587   8.868
  629   2HB   GLU  94          2HB       GLU  94   3.577  17.345   8.757
  630   1HG   GLU  94          1HG       GLU  94   5.768  16.193   9.358
  631   2HG   GLU  94          2HG       GLU  94   5.257  17.466  10.465
  632    H    GLU  95           H        GLU  95   1.007  17.098   8.539
  633    HA   GLU  95           HA       GLU  95   0.567  19.939   9.138
  634   1HB   GLU  95          1HB       GLU  95   0.809  18.844   6.854
  635   2HB   GLU  95          2HB       GLU  95  -0.786  18.138   7.111
  636   1HG   GLU  95          1HG       GLU  95  -1.270  20.754   7.732
  637   2HG   GLU  95          2HG       GLU  95  -0.035  20.929   6.485
  638    H    LYS  96           H        LYS  96  -1.123  16.885   9.580
  639    HA   LYS  96           HA       LYS  96  -3.459  18.378  10.728
  640   1HB   LYS  96          1HB       LYS  96  -3.298  16.475   8.700
  641   2HB   LYS  96          2HB       LYS  96  -3.822  15.542  10.102
  642   1HG   LYS  96          1HG       LYS  96  -5.718  16.975  10.448
  643   2HG   LYS  96          2HG       LYS  96  -5.118  18.153   9.282
  644   1HD   LYS  96          1HD       LYS  96  -5.266  15.602   7.989
  645   2HD   LYS  96          2HD       LYS  96  -6.805  15.905   8.794
  646   1HE   LYS  96          1HE       LYS  96  -7.196  17.884   7.565
  647   2HE   LYS  96          2HE       LYS  96  -5.485  18.059   7.135
  648   1HZ   LYS  96          1HZ       LYS  96  -5.971  15.638   6.175
  649   2HZ   LYS  96          2HZ       LYS  96  -7.523  16.304   5.996
  650   3HZ   LYS  96          3HZ       LYS  96  -6.190  17.042   5.246
  651    H    ASP  97           H        ASP  97  -0.823  16.298  11.423
  652    HA   ASP  97           HA       ASP  97  -0.301  14.959  13.321
  653   1HB   ASP  97          2HB       ASP  97  -1.891  17.048  14.805
  654   2HB   ASP  97          1HB       ASP  97  -0.350  16.315  15.246
  655    H    VAL  98           H        VAL  98  -2.940  14.351  12.008
  656    HA   VAL  98           HA       VAL  98  -4.729  13.718  14.264
  657    HB   VAL  98           HB       VAL  98  -5.391  14.532  11.937
  658   1HG1  VAL  98          1HG1      VAL  98  -3.723  12.773  10.928
  659   2HG1  VAL  98          2HG1      VAL  98  -5.085  11.663  11.093
  660   3HG1  VAL  98          3HG1      VAL  98  -5.239  13.106  10.090
  661   1HG2  VAL  98          1HG2      VAL  98  -6.935  13.399  13.583
  662   2HG2  VAL  98          2HG2      VAL  98  -7.397  13.189  11.893
  663   3HG2  VAL  98          3HG2      VAL  98  -6.597  11.877  12.758
  664    H    ARG  99           H        ARG  99  -5.487  11.443  14.574
  665    HA   ARG  99           HA       ARG  99  -3.994   9.219  13.446
  666   1HB   ARG  99          1HB       ARG  99  -2.608  10.656  15.286
  667   2HB   ARG  99          2HB       ARG  99  -3.428   9.510  16.347
  668   1HG   ARG  99          1HG       ARG  99  -1.539   8.278  15.806
  669   2HG   ARG  99          2HG       ARG  99  -2.623   7.762  14.513
  670   1HD   ARG  99          1HD       ARG  99  -1.479   8.966  12.897
  671   2HD   ARG  99          2HD       ARG  99  -0.978  10.223  14.044
  672    HE   ARG  99           HE       ARG  99   0.265   7.511  13.821
  673   1HH1  ARG  99          1HH1      ARG  99  -0.053  10.292  15.749
  674   2HH1  ARG  99          2HH1      ARG  99   1.640  10.450  16.076
  675   1HH2  ARG  99          1HH2      ARG  99   2.562   7.892  13.926
  676   2HH2  ARG  99          2HH2      ARG  99   3.121   9.093  15.043
  677    H    LEU 100           H        LEU 100  -4.569   7.144  14.651
  678    HA   LEU 100           HA       LEU 100  -7.418   7.176  15.353
  679   1HB   LEU 100          1HB       LEU 100  -5.751   5.459  14.077
  680   2HB   LEU 100          2HB       LEU 100  -5.726   4.753  15.693
  681    HG   LEU 100           HG       LEU 100  -8.410   5.531  14.747
  682   1HD1  LEU 100          1HD1      LEU 100  -6.647   3.702  13.187
  683   2HD1  LEU 100          2HD1      LEU 100  -8.306   3.171  13.463
  684   3HD1  LEU 100          3HD1      LEU 100  -7.996   4.699  12.641
  685   1HD2  LEU 100          1HD2      LEU 100  -7.098   3.173  16.098
  686   2HD2  LEU 100          2HD2      LEU 100  -8.293   4.289  16.758
  687   3HD2  LEU 100          3HD2      LEU 100  -8.773   3.098  15.550
  688    H    THR 101           H        THR 101  -8.120   7.460  17.435
  689    HA   THR 101           HA       THR 101  -6.227   6.794  19.669
  690    HB   THR 101           HB       THR 101  -7.548   8.585  20.874
  691    HG1  THR 101           HG1      THR 101  -9.248   8.250  19.069
  692   1HG2  THR 101          1HG2      THR 101  -6.070   9.215  18.315
  693   2HG2  THR 101          2HG2      THR 101  -6.593  10.471  19.437
  694   3HG2  THR 101          3HG2      THR 101  -5.444   9.240  19.964
  695    H    CYS 102           H        CYS 102  -8.741   5.455  18.148
  696    HA   CYS 102           HA       CYS 102 -10.672   4.994  20.257
  697   1HB   CYS 102          1HB       CYS 102 -10.041   4.052  17.511
  698   2HB   CYS 102          2HB       CYS 102 -10.985   2.940  18.501
  699    H    ILE 103           H        ILE 103  -8.651   2.514  18.667
  700    HA   ILE 103           HA       ILE 103  -8.344   1.177  21.333
  701    HB   ILE 103           HB       ILE 103  -9.599   0.068  19.432
  702   1HG1  ILE 103          1HG1      ILE 103  -7.045  -1.256  20.395
  703   2HG1  ILE 103          2HG1      ILE 103  -8.605  -1.281  21.216
  704   1HG2  ILE 103          1HG2      ILE 103  -7.225   0.881  18.035
  705   2HG2  ILE 103          2HG2      ILE 103  -7.349  -0.877  17.969
  706   3HG2  ILE 103          3HG2      ILE 103  -8.676   0.124  17.380
  707   1HD1  ILE 103          1HD1      ILE 103  -8.472  -2.223  18.375
  708   2HD1  ILE 103          2HD1      ILE 103  -7.869  -3.291  19.644
  709   3HD1  ILE 103          3HD1      ILE 103  -9.545  -2.740  19.676
  710    H    GLY 104           H        GLY 104  -6.619   3.316  19.787
  711   1HA   GLY 104          2HA       GLY 104  -4.332   3.527  19.112
  712   2HA   GLY 104          1HA       GLY 104  -4.093   1.818  19.471
  713    H    SER 105           H        SER 105  -2.134   2.569  20.637
  714    HA   SER 105           HA       SER 105  -2.785   3.715  23.334
  715   1HB   SER 105          1HB       SER 105  -1.025   2.105  24.153
  716   2HB   SER 105          2HB       SER 105  -2.442   1.309  23.467
  717    HG   SER 105           HG       SER 105  -1.325   0.864  21.642
  718    HA   PRO 106           HA       PRO 106   0.482   6.539  22.516
  719   1HB   PRO 106          1HB       PRO 106   1.289   7.096  25.071
  720   2HB   PRO 106          2HB       PRO 106  -0.227   7.704  24.382
  721   1HG   PRO 106          1HG       PRO 106   0.237   5.420  26.234
  722   2HG   PRO 106          2HG       PRO 106  -1.085   6.595  26.201
  723   1HD   PRO 106          1HD       PRO 106  -1.279   4.039  25.231
  724   2HD   PRO 106          2HD       PRO 106  -2.274   5.393  24.660
  725    H    ALA 107           H        ALA 107   2.826   6.672  22.527
  726    HA   ALA 107           HA       ALA 107   4.190   4.180  23.498
  727   1HB   ALA 107          1HB       ALA 107   3.798   5.114  20.906
  728   2HB   ALA 107          3HB       ALA 107   5.445   5.619  21.279
  729   3HB   ALA 107          2HB       ALA 107   4.997   3.917  21.394
  730    H    ALA 108           H        ALA 108   4.511   7.661  22.888
  731    HA   ALA 108           HA       ALA 108   7.139   7.800  24.207
  732   1HB   ALA 108          1HB       ALA 108   7.215   9.818  23.144
  733   2HB   ALA 108          3HB       ALA 108   5.598  10.264  23.690
  734   3HB   ALA 108          2HB       ALA 108   5.797   9.227  22.278
  735    H    ASP 109           H        ASP 109   7.499   8.635  26.290
  736    HA   ASP 109           HA       ASP 109   5.723   8.265  28.385
  737   1HB   ASP 109          1HB       ASP 109   8.169   9.760  27.835
  738   2HB   ASP 109          2HB       ASP 109   7.191  10.546  29.074
  739    H    GLU 110           H        GLU 110   6.476  11.648  27.710
  740    HA   GLU 110           HA       GLU 110   3.688  12.406  28.297
  741   1HB   GLU 110          1HB       GLU 110   5.600  13.626  29.240
  742   2HB   GLU 110          2HB       GLU 110   6.204  13.967  27.618
  743   1HG   GLU 110          1HG       GLU 110   4.105  15.210  27.128
  744   2HG   GLU 110          2HG       GLU 110   3.570  14.921  28.783
  745    H    VAL 111           H        VAL 111   2.251  12.280  26.603
  746    HA   VAL 111           HA       VAL 111   3.226  13.036  23.870
  747    HB   VAL 111           HB       VAL 111   0.807  11.386  24.651
  748   1HG1  VAL 111          1HG1      VAL 111   2.338  11.886  22.094
  749   2HG1  VAL 111          2HG1      VAL 111   1.258  10.505  22.281
  750   3HG1  VAL 111          3HG1      VAL 111   0.621  12.146  22.403
  751   1HG2  VAL 111          1HG2      VAL 111   3.692  10.703  24.514
  752   2HG2  VAL 111          2HG2      VAL 111   2.393   9.926  25.421
  753   3HG2  VAL 111          3HG2      VAL 111   2.599   9.580  23.704
  754    H    LYS 112           H        LYS 112   2.337  14.875  22.999
  755    HA   LYS 112           HA       LYS 112   0.006  16.103  24.408
  756   1HB   LYS 112          1HB       LYS 112   2.010  17.272  22.448
  757   2HB   LYS 112          2HB       LYS 112   0.846  18.178  23.415
  758   1HG   LYS 112          1HG       LYS 112   1.953  17.141  25.472
  759   2HG   LYS 112          2HG       LYS 112   3.235  16.599  24.390
  760   1HD   LYS 112          1HD       LYS 112   4.171  18.646  24.411
  761   2HD   LYS 112          2HD       LYS 112   2.657  19.375  23.876
  762   1HE   LYS 112          1HE       LYS 112   2.033  19.959  26.019
  763   2HE   LYS 112          2HE       LYS 112   2.807  18.534  26.740
  764   1HZ   LYS 112          1HZ       LYS 112   4.246  20.841  25.526
  765   2HZ   LYS 112          2HZ       LYS 112   4.054  20.589  27.195
  766   3HZ   LYS 112          3HZ       LYS 112   4.964  19.495  26.270
  767    H    ILE 113           H        ILE 113  -1.905  16.411  23.303
  768    HA   ILE 113           HA       ILE 113  -2.039  16.333  20.371
  769    HB   ILE 113           HB       ILE 113  -1.906  13.966  20.903
  770   1HG1  ILE 113          1HG1      ILE 113  -4.864  14.362  20.599
  771   2HG1  ILE 113          2HG1      ILE 113  -3.789  14.976  19.343
  772   1HG2  ILE 113          1HG2      ILE 113  -4.061  14.637  22.922
  773   2HG2  ILE 113          2HG2      ILE 113  -3.674  12.985  22.440
  774   3HG2  ILE 113          3HG2      ILE 113  -2.457  13.979  23.242
  775   1HD1  ILE 113          1HD1      ILE 113  -3.002  12.301  20.136
  776   2HD1  ILE 113          2HD1      ILE 113  -4.696  12.328  19.642
  777   3HD1  ILE 113          3HD1      ILE 113  -3.446  12.900  18.538
  778    H    VAL 114           H        VAL 114  -4.067  17.150  19.616
  779    HA   VAL 114           HA       VAL 114  -5.626  18.601  21.664
  780    HB   VAL 114           HB       VAL 114  -4.757  19.173  19.138
  781   1HG1  VAL 114          1HG1      VAL 114  -6.357  17.578  18.111
  782   2HG1  VAL 114          2HG1      VAL 114  -7.692  18.450  18.863
  783   3HG1  VAL 114          3HG1      VAL 114  -6.700  19.240  17.636
  784   1HG2  VAL 114          1HG2      VAL 114  -5.864  20.580  21.057
  785   2HG2  VAL 114          2HG2      VAL 114  -5.904  21.186  19.401
  786   3HG2  VAL 114          3HG2      VAL 114  -7.327  20.401  20.088
  787    H    TYR 115           H        TYR 115  -7.559  17.854  22.453
  788    HA   TYR 115           HA       TYR 115  -8.679  15.362  21.299
  789   1HB   TYR 115          1HB       TYR 115  -9.013  14.955  23.501
  790   2HB   TYR 115          2HB       TYR 115  -8.319  16.526  23.874
  791    HD1  TYR 115           HD1      TYR 115 -11.446  14.637  23.375
  792    HD2  TYR 115           HD2      TYR 115  -9.728  18.458  24.321
  793    HE1  TYR 115           HE1      TYR 115 -13.659  15.438  24.160
  794    HE2  TYR 115           HE2      TYR 115 -11.938  19.259  25.103
  795    HH   TYR 115           HH       TYR 115 -14.344  17.454  25.979
  796    H    ASN 116           H        ASN 116 -10.852  15.247  20.536
  797    HA   ASN 116           HA       ASN 116 -12.910  16.062  19.681
  798   1HB   ASN 116          1HB       ASN 116 -12.213  17.740  21.846
  799   2HB   ASN 116          2HB       ASN 116 -12.665  18.818  20.530
  800   2HD2  ASN 116          2HD2      ASN 116 -14.614  19.230  22.047
  801   1HD2  ASN 116          1HD2      ASN 116 -15.937  18.175  21.919
  802    H    ALA 117           H        ALA 117 -10.879  15.919  17.906
  803    HA   ALA 117           HA       ALA 117 -10.091  18.402  16.671
  804   1HB   ALA 117          1HB       ALA 117  -9.051  16.082  16.499
  805   2HB   ALA 117          3HB       ALA 117  -9.225  16.940  14.968
  806   3HB   ALA 117          2HB       ALA 117 -10.366  15.666  15.400
  807    H    LYS 118           H        LYS 118 -13.062  16.671  16.660
  808    HA   LYS 118           HA       LYS 118 -14.110  17.108  14.082
  809   1HB   LYS 118          2HB       LYS 118 -16.248  16.876  15.192
  810   2HB   LYS 118          1HB       LYS 118 -15.093  15.863  16.058
  811   1HG   LYS 118          1HG       LYS 118 -14.852  17.481  17.811
  812   2HG   LYS 118          2HG       LYS 118 -15.711  18.710  16.882
  813   1HD   LYS 118          1HD       LYS 118 -17.230  16.216  17.290
  814   2HD   LYS 118          2HD       LYS 118 -16.879  17.105  18.773
  815   1HE   LYS 118          1HE       LYS 118 -17.765  19.188  17.621
  816   2HE   LYS 118          2HE       LYS 118 -18.316  18.135  16.304
  817    H    HIS 119           H        HIS 119 -13.280  19.433  16.508
  818    HA   HIS 119           HA       HIS 119 -15.097  21.539  15.651
  819   1HB   HIS 119          1HB       HIS 119 -12.570  21.400  17.315
  820   2HB   HIS 119          2HB       HIS 119 -13.494  22.887  17.102
  821    HD1  HIS 119           HD1      HIS 119 -16.329  22.099  17.409
  822    HD2  HIS 119           HD2      HIS 119 -13.353  20.342  19.741
  823    HE1  HIS 119           HE1      HIS 119 -17.484  21.163  19.459
  824    H    LEU 120           H        LEU 120 -11.998  20.365  14.556
  825    HA   LEU 120           HA       LEU 120 -10.768  22.597  13.419
  826   1HB   LEU 120          1HB       LEU 120 -10.515  19.855  13.346
  827   2HB   LEU 120          2HB       LEU 120 -10.914  20.228  11.670
  828    HG   LEU 120           HG       LEU 120  -9.044  22.186  12.534
  829   1HD1  LEU 120          1HD1      LEU 120  -8.713  19.948  14.120
  830   2HD1  LEU 120          2HD1      LEU 120  -7.584  19.653  12.797
  831   3HD1  LEU 120          3HD1      LEU 120  -7.454  21.128  13.754
  832   1HD2  LEU 120          1HD2      LEU 120  -9.518  20.453  10.368
  833   2HD2  LEU 120          2HD2      LEU 120  -8.298  21.723  10.458
  834   3HD2  LEU 120          3HD2      LEU 120  -7.889  20.071  10.924
  835    H    ASP 121           H        ASP 121 -11.534  24.116  12.008
  836    HA   ASP 121           HA       ASP 121 -14.075  23.869  10.662
  837   1HB   ASP 121          1HB       ASP 121 -13.450  26.057   9.763
  838   2HB   ASP 121          2HB       ASP 121 -12.973  25.971  11.459
  839    H    TYR 122           H        TYR 122 -10.752  23.184   9.722
  840    HA   TYR 122           HA       TYR 122 -11.100  23.174   6.877
  841   1HB   TYR 122          1HB       TYR 122  -8.954  23.165   8.181
  842   2HB   TYR 122          2HB       TYR 122  -9.272  21.484   8.613
  843    HD1  TYR 122           HD1      TYR 122  -9.491  19.758   6.771
  844    HD2  TYR 122           HD2      TYR 122  -8.056  23.743   6.054
  845    HE1  TYR 122           HE1      TYR 122  -8.518  19.019   4.614
  846    HE2  TYR 122           HE2      TYR 122  -7.084  23.004   3.897
  847    HH   TYR 122           HH       TYR 122  -6.442  21.112   2.723
  848    H    LEU 123           H        LEU 123 -12.363  21.108   9.290
  849    HA   LEU 123           HA       LEU 123 -12.820  18.921   7.288
  850   1HB   LEU 123          1HB       LEU 123 -11.738  18.920   9.857
  851   2HB   LEU 123          2HB       LEU 123 -13.390  18.355  10.101
  852    HG   LEU 123           HG       LEU 123 -12.629  16.976   7.837
  853   1HD1  LEU 123          1HD1      LEU 123 -10.243  17.949   8.980
  854   2HD1  LEU 123          2HD1      LEU 123 -10.337  16.253   9.453
  855   3HD1  LEU 123          3HD1      LEU 123 -10.393  16.697   7.748
  856   1HD2  LEU 123          1HD2      LEU 123 -12.342  16.134  10.738
  857   2HD2  LEU 123          2HD2      LEU 123 -13.826  16.067   9.789
  858   3HD2  LEU 123          3HD2      LEU 123 -12.461  15.035   9.364
  859    H    GLN 124           H        GLN 124 -14.359  20.868   9.849
  860    HA   GLN 124           HA       GLN 124 -16.999  19.787   9.591
  861   1HB   GLN 124          1HB       GLN 124 -15.857  21.324  11.364
  862   2HB   GLN 124          2HB       GLN 124 -16.348  22.645  10.303
  863   1HG   GLN 124          1HG       GLN 124 -18.526  22.457  10.903
  864   2HG   GLN 124          2HG       GLN 124 -18.490  20.698  10.789
  865   2HE2  GLN 124          2HE2      GLN 124 -18.963  19.787  12.790
  866   1HE2  GLN 124          1HE2      GLN 124 -18.448  20.395  14.288
  867    H    ASN 125           H        ASN 125 -15.167  21.754   7.471
  868    HA   ASN 125           HA       ASN 125 -17.086  23.465   6.294
  869   1HB   ASN 125          1HB       ASN 125 -14.639  23.425   5.873
  870   2HB   ASN 125          2HB       ASN 125 -14.825  21.901   5.004
  871   2HD2  ASN 125          2HD2      ASN 125 -14.564  25.187   4.480
  872   1HD2  ASN 125          1HD2      ASN 125 -15.374  25.294   2.992
  873    H    ARG 126           H        ARG 126 -16.698  19.990   6.027
  874    HA   ARG 126           HA       ARG 126 -18.654  19.872   3.777
  875   1HB   ARG 126          1HB       ARG 126 -16.309  18.589   4.220
  876   2HB   ARG 126          2HB       ARG 126 -17.420  17.438   4.962
  877   1HG   ARG 126          1HG       ARG 126 -18.623  17.128   2.942
  878   2HG   ARG 126          2HG       ARG 126 -17.930  18.577   2.212
  879   1HD   ARG 126          2HD       ARG 126 -16.567  16.998   1.202
  880   2HD   ARG 126          1HD       ARG 126 -15.651  17.196   2.707
  881    HE   ARG 126           HE       ARG 126 -17.681  15.310   3.246
  882   1HH1  ARG 126          1HH1      ARG 126 -16.113  15.225   0.340
  883   2HH1  ARG 126          2HH1      ARG 126 -15.264  13.739   0.611
  884   1HH2  ARG 126          1HH2      ARG 126 -16.089  13.574   3.976
  885   2HH2  ARG 126          2HH2      ARG 126 -15.249  12.805   2.671
  886    H    VAL 127           H        VAL 127 -19.472  20.602   6.545
  887    HA   VAL 127           HA       VAL 127 -20.566  18.580   8.114
  888    HB   VAL 127           HB       VAL 127 -20.628  21.049   8.504
  889   1HG1  VAL 127          1HG1      VAL 127 -22.465  20.855   6.162
  890   2HG1  VAL 127          2HG1      VAL 127 -22.888  22.014   7.421
  891   3HG1  VAL 127          3HG1      VAL 127 -21.333  22.135   6.600
  892   1HG2  VAL 127          1HG2      VAL 127 -22.742  19.131   9.015
  893   2HG2  VAL 127          2HG2      VAL 127 -22.113  20.398  10.069
  894   3HG2  VAL 127          3HG2      VAL 127 -23.396  20.766   8.916
  895    H    ILE 128           H        ILE 128 -22.632  17.495   8.111
  896    HA   ILE 128           HA       ILE 128 -24.123  17.538   5.514
  897    HB   ILE 128           HB       ILE 128 -24.144  15.030   5.680
  898   1HG1  ILE 128          1HG1      ILE 128 -21.859  15.107   7.576
  899   2HG1  ILE 128          2HG1      ILE 128 -23.452  15.403   8.273
  900   1HG2  ILE 128          1HG2      ILE 128 -21.445  16.413   5.597
  901   2HG2  ILE 128          2HG2      ILE 128 -21.723  14.754   5.066
  902   3HG2  ILE 128          3HG2      ILE 128 -22.509  16.091   4.227
  903   1HD1  ILE 128          1HD1      ILE 128 -24.176  13.306   6.898
  904   2HD1  ILE 128          2HD1      ILE 128 -22.448  12.958   6.826
  905   3HD1  ILE 128          3HD1      ILE 128 -23.263  13.062   8.387

  No H/Q in entry =         905
  Start of MODEL   13
    1    H2   PRO   1           H2       PRO   1   3.449   7.990  31.728
    2    H3   PRO   1           H3       PRO   1   4.687   7.246  30.826
    3    HA   PRO   1           HA       PRO   1   3.322   7.187  29.088
    4   1HB   PRO   1          1HB       PRO   1   1.256   5.533  29.779
    5   2HB   PRO   1          2HB       PRO   1   2.902   4.947  29.472
    6   1HG   PRO   1          2HG       PRO   1   1.527   5.482  32.063
    7   2HG   PRO   1          1HG       PRO   1   2.610   4.155  31.616
    8   1HD   PRO   1          1HD       PRO   1   3.405   6.308  33.081
    9   2HD   PRO   1          2HD       PRO   1   4.498   5.396  32.021
   10    H    THR   2           H        THR   2   2.826   9.579  29.911
   11    HA   THR   2           HA       THR   2  -0.136   9.812  30.354
   12    HB   THR   2           HB       THR   2   1.826  11.968  31.059
   13    HG1  THR   2           HG1      THR   2   2.396  10.935  32.899
   14   1HG2  THR   2          1HG2      THR   2  -0.908  11.092  31.785
   15   2HG2  THR   2          2HG2      THR   2   0.065  11.729  33.111
   16   3HG2  THR   2          3HG2      THR   2  -0.237  12.719  31.683
   17    H    VAL   3           H        VAL   3  -1.245  11.144  28.917
   18    HA   VAL   3           HA       VAL   3   0.391  12.604  26.865
   19    HB   VAL   3           HB       VAL   3  -0.708  10.437  26.159
   20   1HG1  VAL   3          1HG1      VAL   3  -2.748  10.937  27.660
   21   2HG1  VAL   3          2HG1      VAL   3  -3.298  11.971  26.341
   22   3HG1  VAL   3          3HG1      VAL   3  -3.062  10.243  26.069
   23   1HG2  VAL   3          1HG2      VAL   3  -0.381  12.733  24.773
   24   2HG2  VAL   3          2HG2      VAL   3  -1.067  11.275  24.057
   25   3HG2  VAL   3          3HG2      VAL   3  -2.130  12.556  24.637
   26    H    GLU   4           H        GLU   4  -0.075  14.774  26.848
   27    HA   GLU   4           HA       GLU   4  -2.317  15.814  28.431
   28   1HB   GLU   4          1HB       GLU   4   0.170  16.656  27.992
   29   2HB   GLU   4          2HB       GLU   4  -0.601  17.486  26.639
   30   1HG   GLU   4          1HG       GLU   4  -1.521  19.016  28.015
   31   2HG   GLU   4          2HG       GLU   4  -2.187  17.757  29.056
   32    H    TYR   5           H        TYR   5  -4.335  15.841  27.516
   33    HA   TYR   5           HA       TYR   5  -4.632  16.154  24.576
   34   1HB   TYR   5          1HB       TYR   5  -6.982  15.583  25.103
   35   2HB   TYR   5          2HB       TYR   5  -5.877  14.424  25.843
   36    HD1  TYR   5           HD1      TYR   5  -8.006  17.394  26.489
   37    HD2  TYR   5           HD2      TYR   5  -5.679  14.231  28.224
   38    HE1  TYR   5           HE1      TYR   5  -8.938  17.935  28.723
   39    HE2  TYR   5           HE2      TYR   5  -6.609  14.771  30.459
   40    HH   TYR   5           HH       TYR   5  -8.790  17.541  30.918
   41    H    LEU   6           H        LEU   6  -5.472  18.048  23.652
   42    HA   LEU   6           HA       LEU   6  -6.296  20.230  25.542
   43   1HB   LEU   6          1HB       LEU   6  -4.093  20.776  24.912
   44   2HB   LEU   6          2HB       LEU   6  -4.309  20.153  23.279
   45    HG   LEU   6           HG       LEU   6  -5.471  22.053  22.568
   46   1HD1  LEU   6          1HD1      LEU   6  -6.328  22.160  25.392
   47   2HD1  LEU   6          2HD1      LEU   6  -6.068  23.737  24.645
   48   3HD1  LEU   6          3HD1      LEU   6  -7.212  22.601  23.931
   49   1HD2  LEU   6          1HD2      LEU   6  -3.028  22.394  23.741
   50   2HD2  LEU   6          2HD2      LEU   6  -3.870  23.637  22.815
   51   3HD2  LEU   6          3HD2      LEU   6  -3.986  23.618  24.574
   52    H    ASN   7           H        ASN   7  -8.381  20.766  25.074
   53    HA   ASN   7           HA       ASN   7  -9.949  19.953  22.911
   54   1HB   ASN   7          1HB       ASN   7 -10.569  21.123  25.091
   55   2HB   ASN   7          2HB       ASN   7 -10.133  22.638  24.301
   56   2HD2  ASN   7          2HD2      ASN   7 -12.317  23.469  24.199
   57   1HD2  ASN   7          1HD2      ASN   7 -13.510  22.761  23.220
   58    H    TYR   8           H        TYR   8  -9.534  20.286  20.759
   59    HA   TYR   8           HA       TYR   8  -7.822  22.319  19.703
   60   1HB   TYR   8          1HB       TYR   8  -8.290  20.303  18.476
   61   2HB   TYR   8          2HB       TYR   8 -10.028  20.591  18.549
   62    HD1  TYR   8           HD1      TYR   8 -11.067  22.388  17.202
   63    HD2  TYR   8           HD2      TYR   8  -6.883  21.471  16.890
   64    HE1  TYR   8           HE1      TYR   8 -10.943  23.677  15.086
   65    HE2  TYR   8           HE2      TYR   8  -6.758  22.759  14.775
   66    HH   TYR   8           HH       TYR   8  -9.539  24.592  13.573
   67    H    GLU   9           H        GLU   9 -11.251  22.274  20.483
   68    HA   GLU   9           HA       GLU   9 -12.106  24.539  18.961
   69   1HB   GLU   9          1HB       GLU   9 -12.993  22.886  21.240
   70   2HB   GLU   9          2HB       GLU   9 -13.633  24.529  21.250
   71   1HG   GLU   9          1HG       GLU   9 -13.679  23.106  18.638
   72   2HG   GLU   9          2HG       GLU   9 -14.799  22.524  19.870
   73    H    THR  10           H        THR  10 -10.572  24.245  22.151
   74    HA   THR  10           HA       THR  10 -10.883  26.940  23.028
   75    HB   THR  10           HB       THR  10  -8.583  25.008  23.484
   76    HG1  THR  10           HG1      THR  10 -10.756  25.275  25.212
   77   1HG2  THR  10          1HG2      THR  10  -9.427  27.582  24.666
   78   2HG2  THR  10          2HG2      THR  10  -9.021  26.321  25.830
   79   3HG2  THR  10          3HG2      THR  10  -7.834  26.829  24.629
   80    H    LEU  11           H        LEU  11  -8.676  25.449  20.733
   81    HA   LEU  11           HA       LEU  11  -6.722  27.556  20.599
   82   1HB   LEU  11          1HB       LEU  11  -6.762  25.098  19.714
   83   2HB   LEU  11          2HB       LEU  11  -7.560  25.787  18.301
   84    HG   LEU  11           HG       LEU  11  -4.798  26.404  19.365
   85   1HD1  LEU  11          1HD1      LEU  11  -5.986  25.199  16.890
   86   2HD1  LEU  11          2HD1      LEU  11  -4.441  26.044  16.773
   87   3HD1  LEU  11          3HD1      LEU  11  -4.608  24.653  17.844
   88   1HD2  LEU  11          1HD2      LEU  11  -6.490  27.961  17.394
   89   2HD2  LEU  11          2HD2      LEU  11  -5.759  28.559  18.885
   90   3HD2  LEU  11          3HD2      LEU  11  -4.738  28.132  17.512
   91    H    ASP  12           H        ASP  12  -9.612  26.834  18.614
   92    HA   ASP  12           HA       ASP  12  -9.363  29.266  17.027
   93   1HB   ASP  12          1HB       ASP  12 -11.327  27.020  17.399
   94   2HB   ASP  12          2HB       ASP  12 -11.809  28.443  16.476
   95    H    ASP  13           H        ASP  13 -11.469  28.196  19.711
   96    HA   ASP  13           HA       ASP  13 -13.161  30.446  19.902
   97   1HB   ASP  13          1HB       ASP  13 -13.479  28.396  21.166
   98   2HB   ASP  13          2HB       ASP  13 -11.943  28.626  22.003
   99    H    GLN  14           H        GLN  14 -10.255  29.885  21.938
  100    HA   GLN  14           HA       GLN  14 -10.111  32.588  22.892
  101   1HB   GLN  14          1HB       GLN  14  -9.024  30.223  23.568
  102   2HB   GLN  14          2HB       GLN  14  -7.668  30.890  22.658
  103   1HG   GLN  14          1HG       GLN  14  -7.340  31.592  24.921
  104   2HG   GLN  14          2HG       GLN  14  -7.947  33.007  24.062
  105   2HE2  GLN  14          2HE2      GLN  14  -8.236  32.204  26.993
  106   1HE2  GLN  14          1HE2      GLN  14  -9.909  32.231  27.281
  107    H    GLY  15           H        GLY  15  -9.372  31.260  19.841
  108   1HA   GLY  15          2HA       GLY  15  -8.430  33.775  18.804
  109   2HA   GLY  15          1HA       GLY  15  -8.426  32.244  17.929
  110    H    TRP  16           H        TRP  16  -6.813  30.881  19.995
  111    HA   TRP  16           HA       TRP  16  -4.271  32.344  20.160
  112   1HB   TRP  16          1HB       TRP  16  -5.551  29.909  21.202
  113   2HB   TRP  16          2HB       TRP  16  -3.828  29.714  20.882
  114    HD1  TRP  16           HD1      TRP  16  -3.360  29.644  23.523
  115    HE1  TRP  16           HE1      TRP  16  -3.148  31.540  25.256
  116    HE3  TRP  16           HE3      TRP  16  -5.525  33.473  20.920
  117    HZ2  TRP  16           HZ2      TRP  16  -3.806  34.309  25.506
  118    HZ3  TRP  16           HZ3      TRP  16  -5.715  35.725  21.930
  119    HH2  TRP  16           HH2      TRP  16  -4.860  36.149  24.217
  120    H    ASP  17           H        ASP  17  -2.252  30.924  19.474
  121    HA   ASP  17           HA       ASP  17  -2.530  30.418  16.581
  122   1HB   ASP  17          1HB       ASP  17  -0.585  31.403  18.360
  123   2HB   ASP  17          2HB       ASP  17   0.063  29.871  17.776
  124    H    MET  18           H        MET  18  -0.961  28.423  15.902
  125    HA   MET  18           HA       MET  18  -2.300  26.025  16.887
  126   1HB   MET  18          1HB       MET  18  -0.562  26.898  14.706
  127   2HB   MET  18          2HB       MET  18  -0.127  25.294  15.295
  128   1HG   MET  18          1HG       MET  18  -2.943  25.323  15.196
  129   2HG   MET  18          2HG       MET  18  -2.411  26.093  13.701
  130   1HE   MET  18          1HE       MET  18  -2.229  23.506  16.141
  131   2HE   MET  18          2HE       MET  18  -2.451  22.023  15.217
  132   3HE   MET  18          3HE       MET  18  -0.826  22.548  15.678
  133    H    ASP  19           H        ASP  19   1.128  27.101  16.875
  134    HA   ASP  19           HA       ASP  19   1.548  25.392  19.308
  135   1HB   ASP  19          1HB       ASP  19   2.962  25.607  16.692
  136   2HB   ASP  19          2HB       ASP  19   3.965  25.364  18.121
  137    H    ASP  20           H        ASP  20   1.684  28.506  17.980
  138    HA   ASP  20           HA       ASP  20   4.027  29.508  19.389
  139   1HB   ASP  20          1HB       ASP  20   2.359  30.319  17.343
  140   2HB   ASP  20          2HB       ASP  20   1.893  31.397  18.658
  141    H    ASP  21           H        ASP  21   0.496  29.697  19.956
  142    HA   ASP  21           HA       ASP  21   0.724  31.196  22.420
  143   1HB   ASP  21          1HB       ASP  21  -1.305  29.881  20.747
  144   2HB   ASP  21          2HB       ASP  21  -1.693  29.857  22.468
  145    H    ASP  22           H        ASP  22   1.442  27.963  21.672
  146    HA   ASP  22           HA       ASP  22   1.690  26.018  23.014
  147   1HB   ASP  22          1HB       ASP  22   2.790  28.434  24.279
  148   2HB   ASP  22          2HB       ASP  22   2.494  27.125  25.423
  149    H    LEU  23           H        LEU  23  -0.981  26.542  22.904
  150    HA   LEU  23           HA       LEU  23  -2.437  27.213  25.193
  151   1HB   LEU  23          1HB       LEU  23  -2.801  25.128  23.033
  152   2HB   LEU  23          2HB       LEU  23  -4.053  25.447  24.235
  153    HG   LEU  23           HG       LEU  23  -2.965  27.891  23.034
  154   1HD1  LEU  23          1HD1      LEU  23  -2.819  26.302  21.098
  155   2HD1  LEU  23          2HD1      LEU  23  -4.546  25.997  21.275
  156   3HD1  LEU  23          3HD1      LEU  23  -3.976  27.609  20.845
  157   1HD2  LEU  23          1HD2      LEU  23  -5.653  26.667  23.622
  158   2HD2  LEU  23          2HD2      LEU  23  -4.934  28.133  24.291
  159   3HD2  LEU  23          3HD2      LEU  23  -5.534  28.123  22.633
  160    H    PHE  24           H        PHE  24  -1.129  23.976  24.372
  161    HA   PHE  24           HA       PHE  24  -1.972  22.433  26.509
  162   1HB   PHE  24          1HB       PHE  24   0.622  22.682  24.997
  163   2HB   PHE  24          2HB       PHE  24   0.480  21.499  26.296
  164    HD1  PHE  24           HD1      PHE  24  -1.730  20.023  26.219
  165    HD2  PHE  24           HD2      PHE  24  -0.015  22.059  22.849
  166    HE1  PHE  24           HE1      PHE  24  -2.917  18.479  24.683
  167    HE2  PHE  24           HE2      PHE  24  -1.203  20.519  21.313
  168    HZ   PHE  24           HZ       PHE  24  -2.651  18.726  22.230
  169    H    GLU  25           H        GLU  25   0.312  25.081  26.531
  170    HA   GLU  25           HA       GLU  25   1.067  24.547  29.366
  171   1HB   GLU  25          1HB       GLU  25   2.385  25.474  27.092
  172   2HB   GLU  25          2HB       GLU  25   2.147  26.929  28.059
  173   1HG   GLU  25          1HG       GLU  25   3.328  24.345  29.124
  174   2HG   GLU  25          2HG       GLU  25   4.283  25.729  28.591
  175    H    LYS  26           H        LYS  26  -0.169  27.268  27.381
  176    HA   LYS  26           HA       LYS  26  -0.754  29.007  29.571
  177   1HB   LYS  26          1HB       LYS  26  -0.691  29.175  26.878
  178   2HB   LYS  26          2HB       LYS  26  -2.435  29.058  27.117
  179   1HG   LYS  26          1HG       LYS  26  -2.301  31.309  27.441
  180   2HG   LYS  26          2HG       LYS  26  -1.764  30.859  29.059
  181   1HD   LYS  26          1HD       LYS  26   0.214  31.856  28.649
  182   2HD   LYS  26          2HD       LYS  26   0.505  30.697  27.351
  183   1HE   LYS  26          1HE       LYS  26  -1.382  32.842  26.614
  184   2HE   LYS  26          2HE       LYS  26   0.259  33.412  26.969
  185   1HZ   LYS  26          1HZ       LYS  26   0.137  30.932  25.484
  186   2HZ   LYS  26          2HZ       LYS  26  -0.491  32.266  24.641
  187   3HZ   LYS  26          3HZ       LYS  26   1.104  32.303  25.222
  188    H    ALA  27           H        ALA  27  -2.696  26.521  27.949
  189    HA   ALA  27           HA       ALA  27  -5.211  27.106  29.170
  190   1HB   ALA  27          1HB       ALA  27  -4.531  25.536  27.222
  191   2HB   ALA  27          2HB       ALA  27  -4.189  24.348  28.481
  192   3HB   ALA  27          3HB       ALA  27  -5.821  24.988  28.291
  193    H    ALA  28           H        ALA  28  -2.306  25.832  30.505
  194    HA   ALA  28           HA       ALA  28  -3.649  24.415  32.724
  195   1HB   ALA  28          1HB       ALA  28  -0.724  25.067  32.258
  196   2HB   ALA  28          3HB       ALA  28  -1.535  23.665  31.560
  197   3HB   ALA  28          2HB       ALA  28  -1.373  23.809  33.310
  198    H    ASP  29           H        ASP  29  -2.448  27.577  32.008
  199    HA   ASP  29           HA       ASP  29  -2.187  28.294  34.884
  200   1HB   ASP  29          1HB       ASP  29  -0.677  28.905  32.756
  201   2HB   ASP  29          2HB       ASP  29  -1.835  30.230  32.634
  202    H    ALA  30           H        ALA  30  -4.261  28.801  32.089
  203    HA   ALA  30           HA       ALA  30  -5.797  30.977  33.305
  204   1HB   ALA  30          1HB       ALA  30  -6.444  29.159  30.964
  205   2HB   ALA  30          3HB       ALA  30  -7.108  30.764  31.270
  206   3HB   ALA  30          2HB       ALA  30  -5.406  30.579  30.844
  207    H    GLY  31           H        GLY  31  -5.872  27.498  33.369
  208   1HA   GLY  31          2HA       GLY  31  -8.181  27.590  35.198
  209   2HA   GLY  31          1HA       GLY  31  -7.174  26.179  34.875
  210    H    LEU  32           H        LEU  32  -7.316  25.912  32.156
  211    HA   LEU  32           HA       LEU  32  -9.951  26.227  31.029
  212   1HB   LEU  32          1HB       LEU  32  -7.390  24.824  30.425
  213   2HB   LEU  32          2HB       LEU  32  -8.826  24.250  29.578
  214    HG   LEU  32           HG       LEU  32  -7.712  26.014  28.274
  215   1HD1  LEU  32          1HD1      LEU  32 -10.319  25.800  28.605
  216   2HD1  LEU  32          2HD1      LEU  32 -10.141  27.347  29.432
  217   3HD1  LEU  32          3HD1      LEU  32  -9.655  27.188  27.744
  218   1HD2  LEU  32          1HD2      LEU  32  -7.008  27.092  30.655
  219   2HD2  LEU  32          2HD2      LEU  32  -7.031  28.018  29.154
  220   3HD2  LEU  32          3HD2      LEU  32  -8.396  28.108  30.268
  221    H    ASP  33           H        ASP  33 -11.677  24.753  30.969
  222    HA   ASP  33           HA       ASP  33 -12.203  22.999  33.076
  223   1HB   ASP  33          1HB       ASP  33 -13.130  23.382  30.272
  224   2HB   ASP  33          2HB       ASP  33 -13.610  21.876  31.057
  225    H    GLY  34           H        GLY  34 -11.686  20.853  33.524
  226   1HA   GLY  34          2HA       GLY  34 -10.502  18.833  33.385
  227   2HA   GLY  34          1HA       GLY  34  -9.391  19.671  32.303
  228    H    GLU  35           H        GLU  35 -12.788  19.520  31.520
  229    HA   GLU  35           HA       GLU  35 -12.751  17.097  29.963
  230   1HB   GLU  35          1HB       GLU  35 -14.584  18.963  30.871
  231   2HB   GLU  35          2HB       GLU  35 -14.593  19.229  29.128
  232   1HG   GLU  35          1HG       GLU  35 -14.985  16.823  28.758
  233   2HG   GLU  35          2HG       GLU  35 -14.960  16.548  30.500
  234    H    ASP  36           H        ASP  36 -11.475  20.247  29.372
  235    HA   ASP  36           HA       ASP  36 -11.392  19.759  26.419
  236   1HB   ASP  36          1HB       ASP  36 -11.286  22.140  28.250
  237   2HB   ASP  36          2HB       ASP  36 -10.582  22.267  26.638
  238    H    TYR  37           H        TYR  37  -9.284  20.980  29.058
  239    HA   TYR  37           HA       TYR  37  -6.952  19.809  27.574
  240   1HB   TYR  37          1HB       TYR  37  -6.763  22.152  27.380
  241   2HB   TYR  37          2HB       TYR  37  -7.391  22.429  29.002
  242    HD1  TYR  37           HD1      TYR  37  -4.487  20.972  27.153
  243    HD2  TYR  37           HD2      TYR  37  -5.927  22.643  30.839
  244    HE1  TYR  37           HE1      TYR  37  -2.173  20.998  28.045
  245    HE2  TYR  37           HE2      TYR  37  -3.614  22.669  31.730
  246    HH   TYR  37           HH       TYR  37  -0.857  22.006  29.710
  247    H    GLY  38           H        GLY  38  -5.384  18.761  28.869
  248   1HA   GLY  38          2HA       GLY  38  -6.337  17.808  31.469
  249   2HA   GLY  38          1HA       GLY  38  -4.894  18.818  31.563
  250    H    THR  39           H        THR  39  -3.909  16.752  32.398
  251    HA   THR  39           HA       THR  39  -2.513  15.369  30.227
  252    HB   THR  39           HB       THR  39  -2.196  14.291  32.921
  253    HG1  THR  39           HG1      THR  39  -1.551  17.013  32.670
  254   1HG2  THR  39          1HG2      THR  39  -0.613  14.388  30.851
  255   2HG2  THR  39          2HG2      THR  39  -0.233  16.011  31.427
  256   3HG2  THR  39          3HG2      THR  39   0.078  14.615  32.459
  257    H    MET  40           H        MET  40  -3.196  13.461  29.319
  258    HA   MET  40           HA       MET  40  -5.459  12.017  30.598
  259   1HB   MET  40          1HB       MET  40  -4.528  12.633  27.938
  260   2HB   MET  40          2HB       MET  40  -4.706  10.887  28.109
  261   1HG   MET  40          1HG       MET  40  -6.998  11.091  28.759
  262   2HG   MET  40          2HG       MET  40  -6.848  12.832  28.995
  263   1HE   MET  40          1HE       MET  40  -6.434   9.948  26.932
  264   2HE   MET  40          2HE       MET  40  -7.688  10.187  25.708
  265   3HE   MET  40          3HE       MET  40  -6.004  10.539  25.328
  266    H    GLU  41           H        GLU  41  -4.115  11.018  32.300
  267    HA   GLU  41           HA       GLU  41  -1.790   9.441  31.832
  268   1HB   GLU  41          1HB       GLU  41  -2.524   8.400  34.026
  269   2HB   GLU  41          2HB       GLU  41  -2.471  10.163  34.037
  270   1HG   GLU  41          1HG       GLU  41  -4.697  10.311  34.399
  271   2HG   GLU  41          2HG       GLU  41  -5.048   9.164  33.106
  272    H    VAL  42           H        VAL  42  -1.816   7.822  30.283
  273    HA   VAL  42           HA       VAL  42  -4.140   5.924  30.297
  274    HB   VAL  42           HB       VAL  42  -2.149   6.740  28.155
  275   1HG1  VAL  42          1HG1      VAL  42  -4.316   4.635  28.215
  276   2HG1  VAL  42          2HG1      VAL  42  -3.764   5.353  26.701
  277   3HG1  VAL  42          3HG1      VAL  42  -2.633   4.458  27.717
  278   1HG2  VAL  42          1HG2      VAL  42  -4.491   7.969  29.035
  279   2HG2  VAL  42          2HG2      VAL  42  -3.710   8.227  27.474
  280   3HG2  VAL  42          3HG2      VAL  42  -5.007   7.041  27.626
  281    H    ALA  43           H        ALA  43  -3.635   3.955  31.176
  282    HA   ALA  43           HA       ALA  43  -1.066   3.150  32.051
  283   1HB   ALA  43          1HB       ALA  43  -3.489   2.300  32.538
  284   2HB   ALA  43          3HB       ALA  43  -2.166   1.135  32.584
  285   3HB   ALA  43          2HB       ALA  43  -3.211   1.226  31.166
  286    H    GLU  44           H        GLU  44   0.506   1.755  31.115
  287    HA   GLU  44           HA       GLU  44   0.844   1.911  28.256
  288   1HB   GLU  44          1HB       GLU  44   2.144   0.319  30.483
  289   2HB   GLU  44          2HB       GLU  44   2.732   0.289  28.821
  290   1HG   GLU  44          1HG       GLU  44   2.262   3.000  29.869
  291   2HG   GLU  44          2HG       GLU  44   3.518   2.110  30.730
  292    H    GLY  45           H        GLY  45  -0.357   0.728  26.831
  293   1HA   GLY  45          2HA       GLY  45  -0.826  -2.148  27.444
  294   2HA   GLY  45          1HA       GLY  45  -0.862  -1.436  25.831
  295    H    GLU  46           H        GLU  46  -2.416   0.839  27.450
  296    HA   GLU  46           HA       GLU  46  -5.078  -0.547  27.363
  297   1HB   GLU  46          1HB       GLU  46  -4.374   0.243  29.576
  298   2HB   GLU  46          2HB       GLU  46  -4.072   1.854  28.926
  299   1HG   GLU  46          1HG       GLU  46  -6.519   1.902  28.228
  300   2HG   GLU  46          2HG       GLU  46  -6.734   0.433  29.180
  301    H    TYR  47           H        TYR  47  -6.694   0.403  26.100
  302    HA   TYR  47           HA       TYR  47  -6.002   2.104  23.923
  303   1HB   TYR  47          2HB       TYR  47  -8.693   1.630  25.247
  304   2HB   TYR  47          1HB       TYR  47  -8.432   2.150  23.582
  305    HD1  TYR  47           HD1      TYR  47  -5.919   0.378  23.160
  306    HD2  TYR  47           HD2      TYR  47  -9.851  -0.435  24.686
  307    HE1  TYR  47           HE1      TYR  47  -5.703  -1.990  22.456
  308    HE2  TYR  47           HE2      TYR  47  -9.635  -2.803  23.982
  309    HH   TYR  47           HH       TYR  47  -7.275  -3.879  21.857
  310    H    ILE  48           H        ILE  48  -5.935   4.335  23.750
  311    HA   ILE  48           HA       ILE  48  -5.847   6.019  26.042
  312    HB   ILE  48           HB       ILE  48  -6.457   6.708  23.147
  313   1HG1  ILE  48          1HG1      ILE  48  -3.838   6.295  24.621
  314   2HG1  ILE  48          2HG1      ILE  48  -4.450   5.341  23.270
  315   1HG2  ILE  48          1HG2      ILE  48  -6.367   8.330  25.430
  316   2HG2  ILE  48          2HG2      ILE  48  -4.792   8.547  24.668
  317   3HG2  ILE  48          3HG2      ILE  48  -6.265   8.875  23.755
  318   1HD1  ILE  48          1HD1      ILE  48  -4.348   8.215  22.690
  319   2HD1  ILE  48          2HD1      ILE  48  -2.766   7.526  23.049
  320   3HD1  ILE  48          3HD1      ILE  48  -3.743   6.857  21.743
  321    H    LEU  49           H        LEU  49  -8.384   6.018  23.491
  322    HA   LEU  49           HA       LEU  49 -10.283   7.658  24.655
  323   1HB   LEU  49          1HB       LEU  49 -10.597   6.664  22.487
  324   2HB   LEU  49          2HB       LEU  49 -10.556   5.035  23.161
  325    HG   LEU  49           HG       LEU  49 -12.613   5.969  24.587
  326   1HD1  LEU  49          1HD1      LEU  49 -12.420   8.249  23.618
  327   2HD1  LEU  49          2HD1      LEU  49 -12.724   7.574  22.017
  328   3HD1  LEU  49          3HD1      LEU  49 -13.979   7.508  23.255
  329   1HD2  LEU  49          1HD2      LEU  49 -12.297   4.518  22.097
  330   2HD2  LEU  49          2HD2      LEU  49 -13.457   4.252  23.399
  331   3HD2  LEU  49          3HD2      LEU  49 -13.823   5.404  22.114
  332    H    GLU  50           H        GLU  50  -9.341   4.437  25.694
  333    HA   GLU  50           HA       GLU  50 -11.625   3.961  27.422
  334   1HB   GLU  50          1HB       GLU  50 -10.032   2.273  26.404
  335   2HB   GLU  50          2HB       GLU  50  -8.816   2.825  27.555
  336   1HG   GLU  50          1HG       GLU  50  -9.693   1.189  28.882
  337   2HG   GLU  50          2HG       GLU  50 -10.932   2.398  29.221
  338    H    ALA  51           H        ALA  51  -8.230   4.917  28.083
  339    HA   ALA  51           HA       ALA  51  -8.628   5.387  30.890
  340   1HB   ALA  51          1HB       ALA  51  -6.613   6.307  28.827
  341   2HB   ALA  51          3HB       ALA  51  -6.451   6.685  30.542
  342   3HB   ALA  51          2HB       ALA  51  -6.430   5.006  30.004
  343    H    ALA  52           H        ALA  52  -8.922   7.437  28.027
  344    HA   ALA  52           HA       ALA  52  -9.252   9.928  29.476
  345   1HB   ALA  52          1HB       ALA  52  -9.228   8.902  26.750
  346   2HB   ALA  52          3HB       ALA  52 -10.474  10.131  26.966
  347   3HB   ALA  52          2HB       ALA  52  -8.792  10.507  27.336
  348    H    GLU  53           H        GLU  53 -11.459   7.511  28.125
  349    HA   GLU  53           HA       GLU  53 -13.907   8.922  28.619
  350   1HB   GLU  53          1HB       GLU  53 -13.680   6.972  27.135
  351   2HB   GLU  53          2HB       GLU  53 -13.245   5.960  28.513
  352   1HG   GLU  53          1HG       GLU  53 -15.409   6.039  29.417
  353   2HG   GLU  53          2HG       GLU  53 -15.831   7.499  28.523
  354    H    ALA  54           H        ALA  54 -11.802   6.972  30.642
  355    HA   ALA  54           HA       ALA  54 -13.635   6.523  32.822
  356   1HB   ALA  54          1HB       ALA  54 -10.605   6.714  32.685
  357   2HB   ALA  54          3HB       ALA  54 -11.513   6.010  34.023
  358   3HB   ALA  54          2HB       ALA  54 -11.560   5.252  32.431
  359    H    GLN  55           H        GLN  55 -11.751   9.258  31.784
  360    HA   GLN  55           HA       GLN  55 -11.990  10.634  34.402
  361   1HB   GLN  55          1HB       GLN  55 -10.825  11.519  31.740
  362   2HB   GLN  55          2HB       GLN  55 -10.551  12.283  33.307
  363   1HG   GLN  55          1HG       GLN  55  -9.957   9.386  33.211
  364   2HG   GLN  55          2HG       GLN  55  -8.902  10.395  32.221
  365   2HE2  GLN  55          2HE2      GLN  55  -7.083  11.034  33.379
  366   1HE2  GLN  55          1HE2      GLN  55  -7.056  11.395  35.037
  367    H    GLY  56           H        GLY  56 -13.725  10.326  31.461
  368   1HA   GLY  56          2HA       GLY  56 -15.439  12.632  32.245
  369   2HA   GLY  56          1HA       GLY  56 -15.959  11.274  31.245
  370    H    TYR  57           H        TYR  57 -13.356  11.437  29.711
  371    HA   TYR  57           HA       TYR  57 -13.486  14.055  28.364
  372   1HB   TYR  57          1HB       TYR  57 -11.902  11.526  27.800
  373   2HB   TYR  57          2HB       TYR  57 -11.584  13.114  27.102
  374    HD1  TYR  57           HD1      TYR  57 -12.642  14.122  30.135
  375    HD2  TYR  57           HD2      TYR  57  -9.396  11.853  28.473
  376    HE1  TYR  57           HE1      TYR  57 -11.236  14.694  32.097
  377    HE2  TYR  57           HE2      TYR  57  -7.992  12.424  30.431
  378    HH   TYR  57           HH       TYR  57  -9.180  13.585  33.269
  379    H    ASP  58           H        ASP  58 -14.690  14.432  26.541
  380    HA   ASP  58           HA       ASP  58 -16.243  12.212  25.358
  381   1HB   ASP  58          2HB       ASP  58 -17.457  14.032  24.305
  382   2HB   ASP  58          1HB       ASP  58 -17.151  14.487  25.982
  383    H    TRP  59           H        TRP  59 -16.339  12.114  22.901
  384    HA   TRP  59           HA       TRP  59 -13.905  13.057  21.498
  385   1HB   TRP  59          1HB       TRP  59 -14.650  10.151  21.952
  386   2HB   TRP  59          2HB       TRP  59 -13.408  10.684  20.820
  387    HD1  TRP  59           HD1      TRP  59 -14.067  10.102  24.474
  388    HE1  TRP  59           HE1      TRP  59 -11.930  10.590  25.830
  389    HE3  TRP  59           HE3      TRP  59 -11.187  12.253  20.846
  390    HZ2  TRP  59           HZ2      TRP  59  -9.343  11.733  25.432
  391    HZ3  TRP  59           HZ3      TRP  59  -8.891  13.030  21.363
  392    HH2  TRP  59           HH2      TRP  59  -7.966  12.773  23.650
  393    HA   PRO  60           HA       PRO  60 -16.786  13.243  18.193
  394   1HB   PRO  60          1HB       PRO  60 -15.057  13.208  16.073
  395   2HB   PRO  60          2HB       PRO  60 -15.266  14.618  17.128
  396   1HG   PRO  60          1HG       PRO  60 -13.113  12.562  17.106
  397   2HG   PRO  60          2HG       PRO  60 -13.007  14.302  17.404
  398   1HD   PRO  60          1HD       PRO  60 -12.966  12.397  19.377
  399   2HD   PRO  60          2HD       PRO  60 -13.501  14.072  19.624
  400    H    PHE  61           H        PHE  61 -17.925  11.778  16.913
  401    HA   PHE  61           HA       PHE  61 -18.567   9.640  16.123
  402   1HB   PHE  61          1HB       PHE  61 -16.470  10.689  14.740
  403   2HB   PHE  61          2HB       PHE  61 -15.774   9.151  15.249
  404    HD1  PHE  61           HD1      PHE  61 -17.579   7.112  15.073
  405    HD2  PHE  61           HD2      PHE  61 -17.553  10.682  12.685
  406    HE1  PHE  61           HE1      PHE  61 -18.873   5.943  13.311
  407    HE2  PHE  61           HE2      PHE  61 -18.848   9.513  10.922
  408    HZ   PHE  61           HZ       PHE  61 -19.508   7.142  11.236
  409    H    SER  62           H        SER  62 -18.711   8.832  18.423
  410    HA   SER  62           HA       SER  62 -16.587   7.548  19.809
  411   1HB   SER  62          1HB       SER  62 -18.297   6.915  21.238
  412   2HB   SER  62          2HB       SER  62 -19.141   8.167  20.327
  413    HG   SER  62           HG       SER  62 -19.465   5.432  20.308
  414    H    CYS  63           H        CYS  63 -16.912   4.983  20.250
  415    HA   CYS  63           HA       CYS  63 -16.983   3.643  17.562
  416   1HB   CYS  63          1HB       CYS  63 -14.948   3.870  19.634
  417   2HB   CYS  63          2HB       CYS  63 -15.315   2.181  19.279
  418    H    ARG  64           H        ARG  64 -19.258   3.832  19.339
  419    HA   ARG  64           HA       ARG  64 -19.422   1.255  20.775
  420   1HB   ARG  64          1HB       ARG  64 -21.045   3.753  20.448
  421   2HB   ARG  64          2HB       ARG  64 -21.859   2.294  21.014
  422   1HG   ARG  64          1HG       ARG  64 -19.789   2.147  22.650
  423   2HG   ARG  64          2HG       ARG  64 -19.673   3.877  22.326
  424   1HD   ARG  64          1HD       ARG  64 -22.428   3.291  22.802
  425   2HD   ARG  64          2HD       ARG  64 -21.484   2.536  24.101
  426    HE   ARG  64           HE       ARG  64 -20.551   5.222  23.454
  427   1HH1  ARG  64          1HH1      ARG  64 -21.196   3.440  26.061
  428   2HH1  ARG  64          2HH1      ARG  64 -22.182   4.587  26.902
  429   1HH2  ARG  64          1HH2      ARG  64 -22.542   6.683  24.162
  430   2HH2  ARG  64          2HH2      ARG  64 -22.947   6.424  25.826
  431    H    ALA  65           H        ALA  65 -20.918   2.828  17.937
  432    HA   ALA  65           HA       ALA  65 -21.273   0.315  16.550
  433   1HB   ALA  65          1HB       ALA  65 -23.165   1.005  18.558
  434   2HB   ALA  65          3HB       ALA  65 -23.969   1.224  17.003
  435   3HB   ALA  65          2HB       ALA  65 -23.255  -0.335  17.414
  436    H    GLY  66           H        GLY  66 -20.371   1.636  14.840
  437   1HA   GLY  66          2HA       GLY  66 -21.438   4.139  13.990
  438   2HA   GLY  66          1HA       GLY  66 -22.255   2.856  13.098
  439    H    ALA  67           H        ALA  67 -19.915   1.082  13.096
  440    HA   ALA  67           HA       ALA  67 -17.896   0.747  11.888
  441   1HB   ALA  67          1HB       ALA  67 -18.345   1.072   9.623
  442   2HB   ALA  67          3HB       ALA  67 -19.970   1.202  10.296
  443   3HB   ALA  67          2HB       ALA  67 -19.064   2.660   9.893
  444    H    CYS  68           H        CYS  68 -17.768   2.957  13.796
  445    HA   CYS  68           HA       CYS  68 -16.709   5.367  12.728
  446   1HB   CYS  68          1HB       CYS  68 -17.401   5.068  15.050
  447   2HB   CYS  68          2HB       CYS  68 -16.148   3.853  15.298
  448    H    ALA  69           H        ALA  69 -14.532   3.275  14.563
  449    HA   ALA  69           HA       ALA  69 -12.261   2.741  14.161
  450   1HB   ALA  69          1HB       ALA  69 -13.945   2.048  11.847
  451   2HB   ALA  69          3HB       ALA  69 -12.766   1.061  12.709
  452   3HB   ALA  69          2HB       ALA  69 -12.229   2.181  11.458
  453    H    ASN  70           H        ASN  70 -12.962   5.582  13.961
  454    HA   ASN  70           HA       ASN  70 -10.569   6.565  12.657
  455   1HB   ASN  70          1HB       ASN  70 -11.761   6.154  10.631
  456   2HB   ASN  70          2HB       ASN  70 -13.267   6.778  11.304
  457   2HD2  ASN  70          2HD2      ASN  70 -13.392   9.163  11.660
  458   1HD2  ASN  70          1HD2      ASN  70 -12.386  10.204  10.774
  459    H    CYS  71           H        CYS  71 -10.131   8.007  14.307
  460    HA   CYS  71           HA       CYS  71 -12.348   9.750  15.303
  461   1HB   CYS  71          1HB       CYS  71 -10.142   8.302  16.458
  462   2HB   CYS  71          2HB       CYS  71  -9.962  10.018  16.822
  463    H    ALA  72           H        ALA  72 -11.206  11.968  16.138
  464    HA   ALA  72           HA       ALA  72  -9.490  12.996  13.904
  465   1HB   ALA  72          1HB       ALA  72 -12.188  13.730  14.818
  466   2HB   ALA  72          3HB       ALA  72 -11.101  15.111  14.665
  467   3HB   ALA  72          2HB       ALA  72 -11.399  14.065  13.277
  468    H    SER  73           H        SER  73  -7.577  13.485  14.927
  469    HA   SER  73           HA       SER  73  -7.677  15.310  17.275
  470   1HB   SER  73          2HB       SER  73  -5.926  12.848  17.258
  471   2HB   SER  73          1HB       SER  73  -6.393  13.847  18.634
  472    HG   SER  73           HG       SER  73  -8.033  12.108  17.115
  473    H    ILE  74           H        ILE  74  -5.303  16.024  17.770
  474    HA   ILE  74           HA       ILE  74  -3.624  16.026  15.295
  475    HB   ILE  74           HB       ILE  74  -4.433  18.440  16.952
  476   1HG1  ILE  74          1HG1      ILE  74  -6.263  17.489  15.536
  477   2HG1  ILE  74          2HG1      ILE  74  -5.757  19.095  15.011
  478   1HG2  ILE  74          1HG2      ILE  74  -2.130  18.409  15.831
  479   2HG2  ILE  74          2HG2      ILE  74  -2.996  18.387  14.295
  480   3HG2  ILE  74          3HG2      ILE  74  -3.191  19.750  15.398
  481   1HD1  ILE  74          1HD1      ILE  74  -4.724  16.501  13.820
  482   2HD1  ILE  74          2HD1      ILE  74  -6.012  17.478  13.113
  483   3HD1  ILE  74          3HD1      ILE  74  -4.380  18.134  13.247
  484    H    VAL  75           H        VAL  75  -2.321  14.515  16.630
  485    HA   VAL  75           HA       VAL  75  -1.265  14.935  19.181
  486    HB   VAL  75           HB       VAL  75  -0.952  12.955  17.715
  487   1HG1  VAL  75          1HG1      VAL  75  -0.254  14.735  15.791
  488   2HG1  VAL  75          2HG1      VAL  75   1.346  14.216  16.322
  489   3HG1  VAL  75          3HG1      VAL  75   0.185  13.027  15.730
  490   1HG2  VAL  75          1HG2      VAL  75   0.818  13.977  19.564
  491   2HG2  VAL  75          2HG2      VAL  75   0.916  12.363  18.861
  492   3HG2  VAL  75          3HG2      VAL  75   1.861  13.684  18.173
  493    H    LYS  76           H        LYS  76  -0.244  16.760  19.969
  494    HA   LYS  76           HA       LYS  76   1.165  18.581  18.113
  495   1HB   LYS  76          1HB       LYS  76  -0.357  18.807  20.439
  496   2HB   LYS  76          2HB       LYS  76   1.287  19.152  20.977
  497   1HG   LYS  76          1HG       LYS  76   0.505  21.260  20.275
  498   2HG   LYS  76          2HG       LYS  76   1.408  20.684  18.874
  499   1HD   LYS  76          1HD       LYS  76  -0.460  20.541  17.595
  500   2HD   LYS  76          2HD       LYS  76  -1.393  19.799  18.895
  501   1HE   LYS  76          1HE       LYS  76  -1.166  22.315  19.885
  502   2HE   LYS  76          2HE       LYS  76  -1.150  22.666  18.147
  503   1HZ   LYS  76          1HZ       LYS  76  -3.108  20.883  19.507
  504   2HZ   LYS  76          2HZ       LYS  76  -3.425  22.490  19.061
  505   3HZ   LYS  76          3HZ       LYS  76  -3.116  21.323  17.867
  506    H    GLU  77           H        GLU  77   1.976  15.872  19.979
  507    HA   GLU  77           HA       GLU  77   4.784  16.067  19.451
  508   1HB   GLU  77          1HB       GLU  77   3.784  17.648  21.605
  509   2HB   GLU  77          2HB       GLU  77   4.733  16.339  22.308
  510   1HG   GLU  77          1HG       GLU  77   6.236  17.182  20.104
  511   2HG   GLU  77          2HG       GLU  77   5.636  18.676  20.824
  512    H    GLY  78           H        GLY  78   5.959  14.534  21.272
  513   1HA   GLY  78          2HA       GLY  78   4.420  12.510  22.555
  514   2HA   GLY  78          1HA       GLY  78   6.116  12.345  22.101
  515    H    GLU  79           H        GLU  79   4.115  10.266  21.883
  516    HA   GLU  79           HA       GLU  79   3.376  10.060  19.044
  517   1HB   GLU  79          2HB       GLU  79   4.950   8.315  18.521
  518   2HB   GLU  79          1HB       GLU  79   5.876   9.620  19.264
  519   1HG   GLU  79          1HG       GLU  79   5.785   8.460  21.435
  520   2HG   GLU  79          2HG       GLU  79   4.841   7.160  20.707
  521    H    ILE  80           H        ILE  80   1.658   8.642  18.859
  522    HA   ILE  80           HA       ILE  80   0.955   7.027  21.280
  523    HB   ILE  80           HB       ILE  80  -0.695   8.047  18.943
  524   1HG1  ILE  80          1HG1      ILE  80  -0.936   8.981  21.788
  525   2HG1  ILE  80          2HG1      ILE  80   0.324   9.659  20.757
  526   1HG2  ILE  80          1HG2      ILE  80  -1.402   5.896  20.231
  527   2HG2  ILE  80          2HG2      ILE  80  -1.755   6.998  21.562
  528   3HG2  ILE  80          3HG2      ILE  80  -2.597   7.176  20.022
  529   1HD1  ILE  80          1HD1      ILE  80  -1.867   9.744  19.098
  530   2HD1  ILE  80          2HD1      ILE  80  -2.593  10.066  20.672
  531   3HD1  ILE  80          3HD1      ILE  80  -1.297  11.099  20.072
  532    H    ASP  81           H        ASP  81   0.536   4.806  21.040
  533    HA   ASP  81           HA       ASP  81   1.572   3.538  18.582
  534   1HB   ASP  81          1HB       ASP  81   2.144   2.826  20.921
  535   2HB   ASP  81          2HB       ASP  81   0.458   2.364  21.150
  536    H    MET  82           H        MET  82   0.267   1.874  17.456
  537    HA   MET  82           HA       MET  82  -2.650   1.864  17.935
  538   1HB   MET  82          1HB       MET  82  -3.130   2.777  15.703
  539   2HB   MET  82          2HB       MET  82  -2.154   3.923  16.623
  540   1HG   MET  82          1HG       MET  82  -0.386   2.120  15.275
  541   2HG   MET  82          2HG       MET  82  -1.550   2.730  14.100
  542   1HE   MET  82          1HE       MET  82  -1.905   5.024  13.401
  543   2HE   MET  82          2HE       MET  82  -0.479   6.055  13.212
  544   3HE   MET  82          3HE       MET  82  -0.452   4.392  12.631
  545    H    ASP  83           H        ASP  83  -3.736   0.278  16.481
  546    HA   ASP  83           HA       ASP  83  -2.079  -2.090  16.050
  547   1HB   ASP  83          1HB       ASP  83  -4.802  -1.395  16.457
  548   2HB   ASP  83          2HB       ASP  83  -4.722  -2.223  14.902
  549    H    MET  84           H        MET  84  -1.749  -3.116  13.975
  550    HA   MET  84           HA       MET  84  -0.988  -1.451  11.821
  551   1HB   MET  84          2HB       MET  84  -1.924  -4.336  11.741
  552   2HB   MET  84          1HB       MET  84  -0.814  -3.562  10.610
  553   1HG   MET  84          1HG       MET  84   0.521  -3.019  12.854
  554   2HG   MET  84          2HG       MET  84  -0.344  -4.444  13.429
  555   1HE   MET  84          1HE       MET  84   1.404  -2.859  10.598
  556   2HE   MET  84          2HE       MET  84   2.899  -3.336  11.399
  557   3HE   MET  84          3HE       MET  84   2.448  -4.067   9.852
  558    H    GLN  85           H        GLN  85  -2.230  -0.329  10.379
  559    HA   GLN  85           HA       GLN  85  -4.701  -1.469   9.283
  560   1HB   GLN  85          1HB       GLN  85  -4.947  -0.230  11.675
  561   2HB   GLN  85          2HB       GLN  85  -5.101   1.165  10.608
  562   1HG   GLN  85          1HG       GLN  85  -7.214   0.570  10.114
  563   2HG   GLN  85          2HG       GLN  85  -6.645  -0.988   9.515
  564   2HE2  GLN  85          2HE2      GLN  85  -8.781  -1.754  10.546
  565   1HE2  GLN  85          1HE2      GLN  85  -8.762  -2.135  12.200
  566    H    GLN  86           H        GLN  86  -4.865  -0.718   7.199
  567    HA   GLN  86           HA       GLN  86  -3.103   1.510   6.352
  568   1HB   GLN  86          1HB       GLN  86  -3.699  -0.929   5.315
  569   2HB   GLN  86          2HB       GLN  86  -4.865   0.069   4.446
  570   1HG   GLN  86          1HG       GLN  86  -2.434   1.513   4.428
  571   2HG   GLN  86          2HG       GLN  86  -2.014  -0.155   4.036
  572   2HE2  GLN  86          2HE2      GLN  86  -1.852  -0.175   1.771
  573   1HE2  GLN  86          1HE2      GLN  86  -3.049   0.410   0.718
  574    H    ILE  87           H        ILE  87  -4.799   2.894   7.731
  575    HA   ILE  87           HA       ILE  87  -6.814   3.929   5.774
  576    HB   ILE  87           HB       ILE  87  -8.386   4.140   7.696
  577   1HG1  ILE  87          1HG1      ILE  87  -7.246   2.366   9.562
  578   2HG1  ILE  87          2HG1      ILE  87  -5.962   3.504   9.152
  579   1HG2  ILE  87          1HG2      ILE  87  -7.461   1.710   6.455
  580   2HG2  ILE  87          2HG2      ILE  87  -7.983   1.362   8.104
  581   3HG2  ILE  87          3HG2      ILE  87  -9.095   2.130   6.970
  582   1HD1  ILE  87          1HD1      ILE  87  -8.047   5.221   9.396
  583   2HD1  ILE  87          2HD1      ILE  87  -8.539   3.980  10.548
  584   3HD1  ILE  87          3HD1      ILE  87  -6.988   4.796  10.741
  585    H    LEU  88           H        LEU  88  -4.107   4.875   6.572
  586    HA   LEU  88           HA       LEU  88  -4.870   7.644   7.301
  587   1HB   LEU  88          1HB       LEU  88  -4.253   5.940   9.296
  588   2HB   LEU  88          2HB       LEU  88  -2.622   6.438   8.847
  589    HG   LEU  88           HG       LEU  88  -3.844   8.853   8.867
  590   1HD1  LEU  88          1HD1      LEU  88  -5.856   7.278   9.833
  591   2HD1  LEU  88          2HD1      LEU  88  -5.060   7.757  11.332
  592   3HD1  LEU  88          3HD1      LEU  88  -5.671   8.988  10.226
  593   1HD2  LEU  88          1HD2      LEU  88  -1.785   8.197  10.086
  594   2HD2  LEU  88          2HD2      LEU  88  -2.860   9.159  11.100
  595   3HD2  LEU  88          3HD2      LEU  88  -2.776   7.410  11.314
  596    H    SER  89           H        SER  89  -2.775   9.048   7.223
  597    HA   SER  89           HA       SER  89  -0.779   7.916   5.301
  598   1HB   SER  89          2HB       SER  89  -1.592  10.713   4.849
  599   2HB   SER  89          1HB       SER  89  -1.385   9.405   3.685
  600    HG   SER  89           HG       SER  89  -3.463   9.289   3.676
  601    H    ASP  90           H        ASP  90   1.307   8.537   5.810
  602    HA   ASP  90           HA       ASP  90   2.028   9.714   8.251
  603   1HB   ASP  90          1HB       ASP  90   3.419   8.446   6.522
  604   2HB   ASP  90          2HB       ASP  90   3.568   9.976   5.656
  605    H    GLU  91           H        GLU  91   1.572  11.295   5.094
  606    HA   GLU  91           HA       GLU  91   2.390  13.916   5.747
  607   1HB   GLU  91          1HB       GLU  91   1.097  12.546   3.664
  608   2HB   GLU  91          2HB       GLU  91  -0.029  13.822   4.123
  609   1HG   GLU  91          1HG       GLU  91   2.746  14.751   4.022
  610   2HG   GLU  91          2HG       GLU  91   2.178  14.135   2.469
  611    H    GLU  92           H        GLU  92  -0.521  12.152   6.611
  612    HA   GLU  92           HA       GLU  92  -2.074  14.426   7.513
  613   1HB   GLU  92          1HB       GLU  92  -2.654  11.910   6.910
  614   2HB   GLU  92          2HB       GLU  92  -2.331  11.647   8.624
  615   1HG   GLU  92          1HG       GLU  92  -4.654  12.115   8.523
  616   2HG   GLU  92          2HG       GLU  92  -3.921  13.633   9.043
  617    H    VAL  93           H        VAL  93   0.132  12.124   9.090
  618    HA   VAL  93           HA       VAL  93  -0.250  13.281  11.751
  619    HB   VAL  93           HB       VAL  93   1.772  11.352  10.563
  620   1HG1  VAL  93          1HG1      VAL  93   1.192  12.237  13.390
  621   2HG1  VAL  93          2HG1      VAL  93   1.924  10.669  13.050
  622   3HG1  VAL  93          3HG1      VAL  93   2.749  12.151  12.567
  623   1HG2  VAL  93          1HG2      VAL  93  -1.003  11.098  11.171
  624   2HG2  VAL  93          2HG2      VAL  93   0.115   9.832  10.660
  625   3HG2  VAL  93          3HG2      VAL  93  -0.108  10.171  12.376
  626    H    GLU  94           H        GLU  94   1.767  13.899   8.995
  627    HA   GLU  94           HA       GLU  94   3.762  15.419  10.584
  628   1HB   GLU  94          1HB       GLU  94   3.552  14.097   7.987
  629   2HB   GLU  94          2HB       GLU  94   4.260  15.706   7.848
  630   1HG   GLU  94          1HG       GLU  94   6.006  15.181   9.383
  631   2HG   GLU  94          2HG       GLU  94   5.187  13.718   9.929
  632    H    GLU  95           H        GLU  95   1.169  15.930   8.212
  633    HA   GLU  95           HA       GLU  95   1.578  18.884   8.407
  634   1HB   GLU  95          1HB       GLU  95   1.174  17.161   6.290
  635   2HB   GLU  95          2HB       GLU  95  -0.449  17.792   6.569
  636   1HG   GLU  95          1HG       GLU  95   1.610  19.871   6.710
  637   2HG   GLU  95          2HG       GLU  95   1.555  19.073   5.137
  638    H    LYS  96           H        LYS  96  -0.627  16.298   9.254
  639    HA   LYS  96           HA       LYS  96  -2.583  18.336  10.272
  640   1HB   LYS  96          1HB       LYS  96  -2.818  16.015   8.588
  641   2HB   LYS  96          2HB       LYS  96  -3.738  15.742  10.067
  642   1HG   LYS  96          1HG       LYS  96  -5.184  16.845   8.455
  643   2HG   LYS  96          2HG       LYS  96  -4.808  17.990   9.742
  644   1HD   LYS  96          1HD       LYS  96  -3.378  19.243   8.392
  645   2HD   LYS  96          2HD       LYS  96  -3.047  17.889   7.312
  646   1HE   LYS  96          1HE       LYS  96  -5.854  18.396   7.190
  647   2HE   LYS  96          2HE       LYS  96  -5.019  19.948   6.997
  648   1HZ   LYS  96          1HZ       LYS  96  -4.166  17.468   5.606
  649   2HZ   LYS  96          2HZ       LYS  96  -5.254  18.571   4.911
  650   3HZ   LYS  96          3HZ       LYS  96  -3.672  19.061   5.287
  651    H    ASP  97           H        ASP  97  -0.250  16.113  11.215
  652    HA   ASP  97           HA       ASP  97   0.206  15.009  13.263
  653   1HB   ASP  97          2HB       ASP  97  -1.592  17.085  14.497
  654   2HB   ASP  97          1HB       ASP  97  -0.042  16.482  15.076
  655    H    VAL  98           H        VAL  98  -2.329  14.242  11.785
  656    HA   VAL  98           HA       VAL  98  -4.348  13.733  13.823
  657    HB   VAL  98           HB       VAL  98  -3.828  12.886  10.969
  658   1HG1  VAL  98          1HG1      VAL  98  -5.970  11.930  12.874
  659   2HG1  VAL  98          2HG1      VAL  98  -6.219  11.939  11.129
  660   3HG1  VAL  98          3HG1      VAL  98  -4.927  10.965  11.830
  661   1HG2  VAL  98          1HG2      VAL  98  -4.716  15.210  11.754
  662   2HG2  VAL  98          2HG2      VAL  98  -5.561  14.387  10.443
  663   3HG2  VAL  98          3HG2      VAL  98  -6.219  14.344  12.078
  664    H    ARG  99           H        ARG  99  -4.769  11.740  14.864
  665    HA   ARG  99           HA       ARG  99  -3.033   9.407  14.328
  666   1HB   ARG  99          1HB       ARG  99  -2.626  11.390  16.445
  667   2HB   ARG  99          2HB       ARG  99  -2.759   9.749  17.075
  668   1HG   ARG  99          1HG       ARG  99  -1.071   9.054  15.308
  669   2HG   ARG  99          2HG       ARG  99  -0.823  10.770  14.985
  670   1HD   ARG  99          1HD       ARG  99  -0.411  10.981  17.546
  671   2HD   ARG  99          2HD       ARG  99  -0.192   9.221  17.500
  672    HE   ARG  99           HE       ARG  99   1.644  11.182  16.388
  673   1HH1  ARG  99          1HH1      ARG  99   0.563   9.432  14.099
  674   2HH1  ARG  99          2HH1      ARG  99   1.773   8.194  14.044
  675   1HH2  ARG  99          1HH2      ARG  99   3.094   8.984  17.153
  676   2HH2  ARG  99          2HH2      ARG  99   3.209   7.940  15.775
  677    H    LEU 100           H        LEU 100  -3.749   7.513  15.636
  678    HA   LEU 100           HA       LEU 100  -6.669   7.525  16.025
  679   1HB   LEU 100          1HB       LEU 100  -4.526   5.679  15.437
  680   2HB   LEU 100          2HB       LEU 100  -5.481   5.067  16.786
  681    HG   LEU 100           HG       LEU 100  -6.779   6.125  14.272
  682   1HD1  LEU 100          1HD1      LEU 100  -5.110   3.867  14.404
  683   2HD1  LEU 100          2HD1      LEU 100  -6.754   3.232  14.491
  684   3HD1  LEU 100          3HD1      LEU 100  -6.270   4.247  13.131
  685   1HD2  LEU 100          1HD2      LEU 100  -7.623   4.389  16.600
  686   2HD2  LEU 100          2HD2      LEU 100  -8.313   5.929  16.089
  687   3HD2  LEU 100          3HD2      LEU 100  -8.561   4.482  15.110
  688    H    THR 101           H        THR 101  -7.635   7.725  18.020
  689    HA   THR 101           HA       THR 101  -5.911   7.373  20.453
  690    HB   THR 101           HB       THR 101  -7.756   9.172  21.242
  691    HG1  THR 101           HG1      THR 101  -7.721  10.588  19.195
  692   1HG2  THR 101          1HG2      THR 101  -5.099   9.212  20.835
  693   2HG2  THR 101          2HG2      THR 101  -5.592  10.315  19.551
  694   3HG2  THR 101          3HG2      THR 101  -6.015  10.667  21.226
  695    H    CYS 102           H        CYS 102  -7.480   5.248  19.363
  696    HA   CYS 102           HA       CYS 102  -9.421   4.876  21.590
  697   1HB   CYS 102          1HB       CYS 102  -9.966   4.780  18.616
  698   2HB   CYS 102          2HB       CYS 102 -11.029   3.995  19.785
  699    H    ILE 103           H        ILE 103  -8.078   3.326  18.645
  700    HA   ILE 103           HA       ILE 103  -8.079   0.708  20.065
  701    HB   ILE 103           HB       ILE 103  -9.045   0.935  17.790
  702   1HG1  ILE 103          1HG1      ILE 103  -6.455  -0.619  17.625
  703   2HG1  ILE 103          2HG1      ILE 103  -7.822  -1.165  18.595
  704   1HG2  ILE 103          1HG2      ILE 103  -6.582   2.411  17.388
  705   2HG2  ILE 103          2HG2      ILE 103  -6.745   1.133  16.184
  706   3HG2  ILE 103          3HG2      ILE 103  -8.015   2.342  16.363
  707   1HD1  ILE 103          1HD1      ILE 103  -8.539  -0.356  15.853
  708   2HD1  ILE 103          2HD1      ILE 103  -7.467  -1.754  15.935
  709   3HD1  ILE 103          3HD1      ILE 103  -9.022  -1.784  16.767
  710    H    GLY 104           H        GLY 104  -6.058   3.269  19.948
  711   1HA   GLY 104          2HA       GLY 104  -3.616   3.241  19.351
  712   2HA   GLY 104          1HA       GLY 104  -3.608   1.552  19.855
  713    H    SER 105           H        SER 105  -1.786   2.686  21.236
  714    HA   SER 105           HA       SER 105  -3.003   3.779  23.751
  715   1HB   SER 105          2HB       SER 105  -0.623   2.053  24.010
  716   2HB   SER 105          1HB       SER 105  -2.121   2.043  24.941
  717    HG   SER 105           HG       SER 105  -1.438   0.323  23.151
  718    HA   PRO 106           HA       PRO 106   0.333   6.635  23.880
  719   1HB   PRO 106          1HB       PRO 106   1.408   6.395  26.386
  720   2HB   PRO 106          2HB       PRO 106  -0.177   7.127  26.081
  721   1HG   PRO 106          2HG       PRO 106   0.501   4.397  27.057
  722   2HG   PRO 106          1HG       PRO 106  -0.824   5.468  27.535
  723   1HD   PRO 106          1HD       PRO 106  -1.110   3.343  25.829
  724   2HD   PRO 106          2HD       PRO 106  -2.167   4.770  25.818
  725    H    ALA 107           H        ALA 107   2.569   6.768  23.396
  726    HA   ALA 107           HA       ALA 107   4.173   4.264  23.786
  727   1HB   ALA 107          1HB       ALA 107   3.418   5.801  21.365
  728   2HB   ALA 107          3HB       ALA 107   3.809   4.089  21.530
  729   3HB   ALA 107          2HB       ALA 107   5.103   5.283  21.437
  730    H    ALA 108           H        ALA 108   3.935   7.358  24.729
  731    HA   ALA 108           HA       ALA 108   6.892   7.650  25.005
  732   1HB   ALA 108          1HB       ALA 108   6.825   9.243  23.396
  733   2HB   ALA 108          3HB       ALA 108   5.062   9.202  23.350
  734   3HB   ALA 108          2HB       ALA 108   5.890  10.226  24.522
  735    H    ASP 109           H        ASP 109   7.435   8.414  27.043
  736    HA   ASP 109           HA       ASP 109   5.784   8.388  29.253
  737   1HB   ASP 109          1HB       ASP 109   8.216   8.657  29.320
  738   2HB   ASP 109          2HB       ASP 109   8.081  10.270  28.618
  739    H    GLU 110           H        GLU 110   6.465  11.293  27.266
  740    HA   GLU 110           HA       GLU 110   3.924  12.480  28.337
  741   1HB   GLU 110          1HB       GLU 110   5.120  14.646  28.242
  742   2HB   GLU 110          2HB       GLU 110   5.972  13.499  29.276
  743   1HG   GLU 110          2HG       GLU 110   7.802  13.920  28.020
  744   2HG   GLU 110          1HG       GLU 110   7.010  13.004  26.738
  745    H    VAL 111           H        VAL 111   2.477  12.679  26.678
  746    HA   VAL 111           HA       VAL 111   3.534  13.372  23.955
  747    HB   VAL 111           HB       VAL 111   1.198  11.568  24.665
  748   1HG1  VAL 111          1HG1      VAL 111   1.862  12.899  22.287
  749   2HG1  VAL 111          2HG1      VAL 111   2.419  11.244  22.049
  750   3HG1  VAL 111          3HG1      VAL 111   0.733  11.556  22.458
  751   1HG2  VAL 111          1HG2      VAL 111   4.109  11.042  24.191
  752   2HG2  VAL 111          2HG2      VAL 111   3.003  10.262  25.321
  753   3HG2  VAL 111          3HG2      VAL 111   2.933   9.866  23.603
  754    H    LYS 112           H        LYS 112   2.101  14.726  22.691
  755    HA   LYS 112           HA       LYS 112  -0.117  16.001  24.258
  756   1HB   LYS 112          1HB       LYS 112   2.060  17.230  22.540
  757   2HB   LYS 112          2HB       LYS 112   0.665  18.131  23.134
  758   1HG   LYS 112          1HG       LYS 112   1.306  17.807  25.414
  759   2HG   LYS 112          2HG       LYS 112   2.501  16.586  24.976
  760   1HD   LYS 112          1HD       LYS 112   3.640  18.449  23.605
  761   2HD   LYS 112          2HD       LYS 112   2.612  19.567  24.502
  762   1HE   LYS 112          1HE       LYS 112   3.531  18.745  26.631
  763   2HE   LYS 112          2HE       LYS 112   4.525  17.563  25.758
  764   1HZ   LYS 112          1HZ       LYS 112   4.609  20.410  24.997
  765   2HZ   LYS 112          2HZ       LYS 112   5.517  19.880  26.331
  766   3HZ   LYS 112          3HZ       LYS 112   5.796  19.213  24.794
  767    H    ILE 113           H        ILE 113  -1.987  16.390  23.078
  768    HA   ILE 113           HA       ILE 113  -2.011  16.329  20.143
  769    HB   ILE 113           HB       ILE 113  -1.916  13.959  20.671
  770   1HG1  ILE 113          1HG1      ILE 113  -4.851  14.453  20.226
  771   2HG1  ILE 113          2HG1      ILE 113  -3.678  14.946  19.005
  772   1HG2  ILE 113          1HG2      ILE 113  -4.220  14.576  22.545
  773   2HG2  ILE 113          2HG2      ILE 113  -3.657  12.951  22.154
  774   3HG2  ILE 113          3HG2      ILE 113  -2.597  14.069  23.013
  775   1HD1  ILE 113          1HD1      ILE 113  -2.767  12.464  19.447
  776   2HD1  ILE 113          2HD1      ILE 113  -4.453  12.207  19.898
  777   3HD1  ILE 113          3HD1      ILE 113  -4.051  12.788  18.283
  778    H    VAL 114           H        VAL 114  -4.024  17.125  19.315
  779    HA   VAL 114           HA       VAL 114  -5.655  18.569  21.321
  780    HB   VAL 114           HB       VAL 114  -4.629  19.234  18.895
  781   1HG1  VAL 114          1HG1      VAL 114  -7.479  18.330  18.384
  782   2HG1  VAL 114          2HG1      VAL 114  -6.559  19.370  17.298
  783   3HG1  VAL 114          3HG1      VAL 114  -6.022  17.720  17.603
  784   1HG2  VAL 114          1HG2      VAL 114  -5.632  20.759  20.563
  785   2HG2  VAL 114          2HG2      VAL 114  -6.182  21.140  18.931
  786   3HG2  VAL 114          3HG2      VAL 114  -7.242  20.266  20.036
  787    H    TYR 115           H        TYR 115  -7.589  17.754  22.023
  788    HA   TYR 115           HA       TYR 115  -8.692  15.354  20.679
  789   1HB   TYR 115          1HB       TYR 115  -9.217  14.797  22.812
  790   2HB   TYR 115          2HB       TYR 115  -8.317  16.222  23.313
  791    HD1  TYR 115           HD1      TYR 115  -9.503  18.373  23.737
  792    HD2  TYR 115           HD2      TYR 115 -11.618  14.729  22.903
  793    HE1  TYR 115           HE1      TYR 115 -11.589  19.388  24.606
  794    HE2  TYR 115           HE2      TYR 115 -13.706  15.743  23.777
  795    HH   TYR 115           HH       TYR 115 -14.045  19.060  24.335
  796    H    ASN 116           H        ASN 116 -11.026  15.264  20.186
  797    HA   ASN 116           HA       ASN 116 -12.993  16.135  19.211
  798   1HB   ASN 116          1HB       ASN 116 -12.102  18.070  21.281
  799   2HB   ASN 116          2HB       ASN 116 -13.258  18.689  20.105
  800   2HD2  ASN 116          2HD2      ASN 116 -13.190  15.267  21.039
  801   1HD2  ASN 116          1HD2      ASN 116 -14.667  15.286  21.874
  802    H    ALA 117           H        ALA 117 -10.478  16.350  17.763
  803    HA   ALA 117           HA       ALA 117 -10.052  18.934  16.613
  804   1HB   ALA 117          1HB       ALA 117  -8.639  16.783  16.564
  805   2HB   ALA 117          3HB       ALA 117  -8.698  17.717  15.070
  806   3HB   ALA 117          2HB       ALA 117  -9.682  16.264  15.240
  807    H    LYS 118           H        LYS 118 -12.674  16.752  16.255
  808    HA   LYS 118           HA       LYS 118 -13.489  16.978  13.589
  809   1HB   LYS 118          1HB       LYS 118 -15.755  16.682  14.523
  810   2HB   LYS 118          2HB       LYS 118 -14.595  15.678  15.392
  811   1HG   LYS 118          1HG       LYS 118 -14.586  17.103  17.270
  812   2HG   LYS 118          2HG       LYS 118 -15.255  18.457  16.357
  813   1HD   LYS 118          1HD       LYS 118 -16.972  16.065  16.370
  814   2HD   LYS 118          2HD       LYS 118 -16.722  16.773  17.966
  815   1HE   LYS 118          1HE       LYS 118 -17.158  19.012  16.406
  816   2HE   LYS 118          2HE       LYS 118 -18.259  17.821  15.687
  817    H    HIS 119           H        HIS 119 -13.299  19.476  16.005
  818    HA   HIS 119           HA       HIS 119 -15.177  21.338  14.837
  819   1HB   HIS 119          2HB       HIS 119 -12.722  21.811  16.559
  820   2HB   HIS 119          1HB       HIS 119 -14.109  22.888  16.398
  821    HD1  HIS 119           HD1      HIS 119 -16.463  21.058  16.705
  822    HD2  HIS 119           HD2      HIS 119 -13.036  20.629  19.044
  823    HE1  HIS 119           HE1      HIS 119 -17.164  19.788  18.781
  824    H    LEU 120           H        LEU 120 -11.923  20.399  14.037
  825    HA   LEU 120           HA       LEU 120 -10.708  22.594  12.890
  826   1HB   LEU 120          1HB       LEU 120 -10.511  19.823  12.767
  827   2HB   LEU 120          2HB       LEU 120 -10.760  20.286  11.084
  828    HG   LEU 120           HG       LEU 120  -8.864  22.012  12.535
  829   1HD1  LEU 120          1HD1      LEU 120  -8.450  19.044  12.290
  830   2HD1  LEU 120          2HD1      LEU 120  -7.071  20.133  12.134
  831   3HD1  LEU 120          3HD1      LEU 120  -8.020  20.119  13.620
  832   1HD2  LEU 120          1HD2      LEU 120  -9.155  20.666   9.874
  833   2HD2  LEU 120          2HD2      LEU 120  -8.874  22.368  10.242
  834   3HD2  LEU 120          3HD2      LEU 120  -7.551  21.208  10.372
  835    H    ASP 121           H        ASP 121 -11.138  23.971  11.187
  836    HA   ASP 121           HA       ASP 121 -13.737  24.021   9.950
  837   1HB   ASP 121          1HB       ASP 121 -12.700  25.869   8.654
  838   2HB   ASP 121          2HB       ASP 121 -12.313  25.991  10.370
  839    H    TYR 122           H        TYR 122 -10.969  22.152   9.276
  840    HA   TYR 122           HA       TYR 122 -11.301  21.983   6.376
  841   1HB   TYR 122          1HB       TYR 122  -9.272  21.558   8.089
  842   2HB   TYR 122          2HB       TYR 122  -9.875  19.904   7.968
  843    HD1  TYR 122           HD1      TYR 122  -8.673  22.811   5.969
  844    HD2  TYR 122           HD2      TYR 122  -9.498  18.595   6.019
  845    HE1  TYR 122           HE1      TYR 122  -7.565  22.568   3.764
  846    HE2  TYR 122           HE2      TYR 122  -8.388  18.352   3.814
  847    HH   TYR 122           HH       TYR 122  -7.199  19.372   2.233
  848    H    LEU 123           H        LEU 123 -12.096  19.923   9.165
  849    HA   LEU 123           HA       LEU 123 -13.381  17.897   7.463
  850   1HB   LEU 123          1HB       LEU 123 -12.701  18.330  10.338
  851   2HB   LEU 123          2HB       LEU 123 -14.005  17.198   9.980
  852    HG   LEU 123           HG       LEU 123 -11.579  16.917   8.300
  853   1HD1  LEU 123          1HD1      LEU 123 -11.581  16.524  11.285
  854   2HD1  LEU 123          2HD1      LEU 123 -10.597  15.485  10.254
  855   3HD1  LEU 123          3HD1      LEU 123 -10.329  17.228  10.263
  856   1HD2  LEU 123          1HD2      LEU 123 -13.809  15.465   8.622
  857   2HD2  LEU 123          2HD2      LEU 123 -12.266  14.719   8.208
  858   3HD2  LEU 123          3HD2      LEU 123 -12.827  14.714   9.880
  859    H    GLN 124           H        GLN 124 -14.315  20.781   9.154
  860    HA   GLN 124           HA       GLN 124 -17.084  20.160   9.645
  861   1HB   GLN 124          1HB       GLN 124 -15.725  22.009  10.651
  862   2HB   GLN 124          2HB       GLN 124 -15.733  22.819   9.085
  863   1HG   GLN 124          1HG       GLN 124 -17.516  23.631  10.678
  864   2HG   GLN 124          2HG       GLN 124 -18.138  23.043   9.136
  865   2HE2  GLN 124          2HE2      GLN 124 -17.469  21.870  12.483
  866   1HE2  GLN 124          1HE2      GLN 124 -18.763  20.772  12.514
  867    H    ASN 125           H        ASN 125 -15.320  21.305   6.822
  868    HA   ASN 125           HA       ASN 125 -17.417  22.348   5.242
  869   1HB   ASN 125          1HB       ASN 125 -14.779  21.978   4.961
  870   2HB   ASN 125          2HB       ASN 125 -15.326  20.591   4.020
  871   2HD2  ASN 125          2HD2      ASN 125 -14.213  22.107   2.273
  872   1HD2  ASN 125          1HD2      ASN 125 -15.248  23.197   1.484
  873    H    ARG 126           H        ARG 126 -16.816  19.085   6.258
  874    HA   ARG 126           HA       ARG 126 -18.113  17.630   4.164
  875   1HB   ARG 126          1HB       ARG 126 -17.658  17.190   7.124
  876   2HB   ARG 126          2HB       ARG 126 -18.400  15.962   6.099
  877   1HG   ARG 126          1HG       ARG 126 -16.052  16.981   4.788
  878   2HG   ARG 126          2HG       ARG 126 -15.630  16.501   6.432
  879   1HD   ARG 126          1HD       ARG 126 -15.956  14.282   5.984
  880   2HD   ARG 126          2HD       ARG 126 -17.403  14.601   5.010
  881    HE   ARG 126           HE       ARG 126 -14.657  15.205   3.966
  882   1HH1  ARG 126          1HH1      ARG 126 -16.958  15.970   2.271
  883   2HH1  ARG 126          2HH1      ARG 126 -17.156  14.587   1.246
  884   1HH2  ARG 126          1HH2      ARG 126 -15.268  12.490   3.262
  885   2HH2  ARG 126          2HH2      ARG 126 -16.200  12.617   1.807
  886    H    VAL 127           H        VAL 127 -19.370  19.723   6.611
  887    HA   VAL 127           HA       VAL 127 -21.885  18.746   7.262
  888    HB   VAL 127           HB       VAL 127 -20.711  20.954   7.836
  889   1HG1  VAL 127          1HG1      VAL 127 -20.410  21.633   5.441
  890   2HG1  VAL 127          2HG1      VAL 127 -22.156  21.859   5.329
  891   3HG1  VAL 127          3HG1      VAL 127 -21.204  22.868   6.418
  892   1HG2  VAL 127          1HG2      VAL 127 -23.190  20.217   8.288
  893   2HG2  VAL 127          2HG2      VAL 127 -22.728  21.900   8.545
  894   3HG2  VAL 127          3HG2      VAL 127 -23.578  21.434   7.072
  895    H    ILE 128           H        ILE 128 -24.046  19.438   6.266
  896    HA   ILE 128           HA       ILE 128 -24.036  18.753   3.390
  897    HB   ILE 128           HB       ILE 128 -26.451  18.520   3.777
  898   1HG1  ILE 128          1HG1      ILE 128 -26.224  19.201   6.657
  899   2HG1  ILE 128          2HG1      ILE 128 -26.179  20.565   5.540
  900   1HG2  ILE 128          1HG2      ILE 128 -24.395  17.221   5.383
  901   2HG2  ILE 128          2HG2      ILE 128 -25.960  17.208   6.196
  902   3HG2  ILE 128          3HG2      ILE 128 -25.800  16.514   4.583
  903   1HD1  ILE 128          1HD1      ILE 128 -28.270  18.435   5.186
  904   2HD1  ILE 128          2HD1      ILE 128 -28.498  19.676   6.417
  905   3HD1  ILE 128          3HD1      ILE 128 -28.325  20.135   4.723

  No H/Q in entry =         905
  Start of MODEL   14
    1    H2   PRO   1           H2       PRO   1   4.177   8.510  31.375
    2    H3   PRO   1           H3       PRO   1   5.045   7.454  30.361
    3    HA   PRO   1           HA       PRO   1   3.185   7.121  29.208
    4   1HB   PRO   1          1HB       PRO   1   1.447   5.862  30.904
    5   2HB   PRO   1          2HB       PRO   1   2.899   5.078  30.253
    6   1HG   PRO   1          2HG       PRO   1   2.440   6.315  32.924
    7   2HG   PRO   1          1HG       PRO   1   3.323   4.841  32.503
    8   1HD   PRO   1          1HD       PRO   1   4.534   7.219  33.068
    9   2HD   PRO   1          2HD       PRO   1   5.242   5.989  32.001
   10    H    THR   2           H        THR   2   3.029   9.696  29.596
   11    HA   THR   2           HA       THR   2   0.261  10.209  30.625
   12    HB   THR   2           HB       THR   2   2.816  11.790  31.049
   13    HG1  THR   2           HG1      THR   2   1.753  11.410  33.291
   14   1HG2  THR   2          1HG2      THR   2  -0.004  12.599  31.087
   15   2HG2  THR   2          2HG2      THR   2   0.846  12.958  32.589
   16   3HG2  THR   2          3HG2      THR   2   1.451  13.594  31.059
   17    H    VAL   3           H        VAL   3  -0.859  11.889  29.504
   18    HA   VAL   3           HA       VAL   3   0.476  13.039  27.092
   19    HB   VAL   3           HB       VAL   3  -2.051  11.379  27.266
   20   1HG1  VAL   3          1HG1      VAL   3  -1.090  13.181  25.027
   21   2HG1  VAL   3          2HG1      VAL   3  -2.340  11.953  24.836
   22   3HG1  VAL   3          3HG1      VAL   3  -2.606  13.319  25.919
   23   1HG2  VAL   3          1HG2      VAL   3   0.673  11.091  26.127
   24   2HG2  VAL   3          2HG2      VAL   3  -0.425   9.857  26.744
   25   3HG2  VAL   3          3HG2      VAL   3  -0.649  10.503  25.119
   26    H    GLU   4           H        GLU   4  -1.103  14.758  26.105
   27    HA   GLU   4           HA       GLU   4  -2.762  16.026  28.249
   28   1HB   GLU   4          1HB       GLU   4  -0.201  16.788  27.521
   29   2HB   GLU   4          2HB       GLU   4  -1.217  17.876  26.575
   30   1HG   GLU   4          1HG       GLU   4  -2.201  18.818  28.476
   31   2HG   GLU   4          2HG       GLU   4  -1.829  17.419  29.482
   32    H    TYR   5           H        TYR   5  -4.786  16.206  27.370
   33    HA   TYR   5           HA       TYR   5  -5.065  16.587  24.427
   34   1HB   TYR   5          1HB       TYR   5  -7.402  15.932  24.881
   35   2HB   TYR   5          2HB       TYR   5  -6.284  14.767  25.590
   36    HD1  TYR   5           HD1      TYR   5  -8.585  17.575  26.308
   37    HD2  TYR   5           HD2      TYR   5  -6.045  14.544  27.984
   38    HE1  TYR   5           HE1      TYR   5  -9.575  17.982  28.548
   39    HE2  TYR   5           HE2      TYR   5  -7.032  14.951  30.221
   40    HH   TYR   5           HH       TYR   5  -8.353  16.295  31.427
   41    H    LEU   6           H        LEU   6  -5.689  18.554  23.608
   42    HA   LEU   6           HA       LEU   6  -6.705  20.624  25.534
   43   1HB   LEU   6          1HB       LEU   6  -4.309  20.545  24.152
   44   2HB   LEU   6          2HB       LEU   6  -5.321  21.533  23.101
   45    HG   LEU   6           HG       LEU   6  -4.725  22.006  26.036
   46   1HD1  LEU   6          1HD1      LEU   6  -3.059  22.682  24.201
   47   2HD1  LEU   6          2HD1      LEU   6  -4.280  23.839  23.671
   48   3HD1  LEU   6          3HD1      LEU   6  -3.589  23.964  25.289
   49   1HD2  LEU   6          1HD2      LEU   6  -7.049  22.700  24.502
   50   2HD2  LEU   6          2HD2      LEU   6  -6.669  23.127  26.170
   51   3HD2  LEU   6          3HD2      LEU   6  -6.141  24.171  24.852
   52    H    ASN   7           H        ASN   7  -8.844  20.999  25.026
   53    HA   ASN   7           HA       ASN   7 -10.272  20.232  22.762
   54   1HB   ASN   7          1HB       ASN   7 -11.181  21.190  24.866
   55   2HB   ASN   7          2HB       ASN   7 -10.574  22.776  24.391
   56   2HD2  ASN   7          2HD2      ASN   7 -12.907  23.488  24.410
   57   1HD2  ASN   7          1HD2      ASN   7 -13.889  23.134  23.073
   58    H    TYR   8           H        TYR   8  -9.700  20.646  20.661
   59    HA   TYR   8           HA       TYR   8  -8.045  22.736  19.720
   60   1HB   TYR   8          1HB       TYR   8  -8.487  20.836  18.351
   61   2HB   TYR   8          2HB       TYR   8 -10.232  21.042  18.498
   62    HD1  TYR   8           HD1      TYR   8 -11.318  23.086  17.451
   63    HD2  TYR   8           HD2      TYR   8  -7.264  21.927  16.635
   64    HE1  TYR   8           HE1      TYR   8 -11.326  24.495  15.411
   65    HE2  TYR   8           HE2      TYR   8  -7.271  23.338  14.594
   66    HH   TYR   8           HH       TYR   8 -10.091  25.341  13.760
   67    H    GLU   9           H        GLU   9 -11.447  22.727  20.548
   68    HA   GLU   9           HA       GLU   9 -12.296  25.047  19.098
   69   1HB   GLU   9          1HB       GLU   9 -13.345  23.154  20.854
   70   2HB   GLU   9          2HB       GLU   9 -13.486  24.667  21.748
   71   1HG   GLU   9          1HG       GLU   9 -14.438  24.271  18.895
   72   2HG   GLU   9          2HG       GLU   9 -15.483  24.182  20.312
   73    H    THR  10           H        THR  10 -10.893  24.659  22.358
   74    HA   THR  10           HA       THR  10 -11.073  27.357  23.226
   75    HB   THR  10           HB       THR  10  -8.892  25.306  23.741
   76    HG1  THR  10           HG1      THR  10 -11.320  25.742  25.134
   77   1HG2  THR  10          1HG2      THR  10  -9.871  27.746  25.232
   78   2HG2  THR  10          2HG2      THR  10  -8.929  26.477  26.015
   79   3HG2  THR  10          3HG2      THR  10  -8.233  27.395  24.679
   80    H    LEU  11           H        LEU  11  -8.721  25.732  21.137
   81    HA   LEU  11           HA       LEU  11  -6.760  27.830  21.053
   82   1HB   LEU  11          1HB       LEU  11  -6.155  25.661  20.307
   83   2HB   LEU  11          2HB       LEU  11  -7.580  25.525  19.279
   84    HG   LEU  11           HG       LEU  11  -6.707  27.134  17.718
   85   1HD1  LEU  11          1HD1      LEU  11  -5.730  28.615  19.518
   86   2HD1  LEU  11          2HD1      LEU  11  -4.354  27.514  19.589
   87   3HD1  LEU  11          3HD1      LEU  11  -4.692  28.408  18.108
   88   1HD2  LEU  11          1HD2      LEU  11  -5.200  24.782  18.492
   89   2HD2  LEU  11          2HD2      LEU  11  -5.510  25.418  16.878
   90   3HD2  LEU  11          3HD2      LEU  11  -4.129  26.004  17.805
   91    H    ASP  12           H        ASP  12  -9.555  27.069  18.955
   92    HA   ASP  12           HA       ASP  12  -9.127  29.408  17.250
   93   1HB   ASP  12          1HB       ASP  12 -10.102  27.423  16.316
   94   2HB   ASP  12          2HB       ASP  12 -11.304  27.332  17.603
   95    H    ASP  13           H        ASP  13 -11.478  28.485  19.783
   96    HA   ASP  13           HA       ASP  13 -13.177  30.701  19.770
   97   1HB   ASP  13          1HB       ASP  13 -13.638  28.895  21.227
   98   2HB   ASP  13          2HB       ASP  13 -12.021  28.937  21.928
   99    H    GLN  14           H        GLN  14 -10.185  30.396  21.733
  100    HA   GLN  14           HA       GLN  14 -10.221  33.221  22.467
  101   1HB   GLN  14          1HB       GLN  14  -9.130  30.875  23.424
  102   2HB   GLN  14          2HB       GLN  14  -7.721  31.689  22.745
  103   1HG   GLN  14          1HG       GLN  14  -7.663  32.809  24.722
  104   2HG   GLN  14          2HG       GLN  14  -8.994  33.750  24.049
  105   2HE2  GLN  14          2HE2      GLN  14  -8.138  31.950  26.746
  106   1HE2  GLN  14          1HE2      GLN  14  -9.690  31.531  27.292
  107    H    GLY  15           H        GLY  15  -9.320  31.599  19.646
  108   1HA   GLY  15          2HA       GLY  15  -8.198  33.928  18.420
  109   2HA   GLY  15          1HA       GLY  15  -8.122  32.298  17.751
  110    H    TRP  16           H        TRP  16  -6.689  31.012  19.797
  111    HA   TRP  16           HA       TRP  16  -4.224  32.532  20.336
  112   1HB   TRP  16          1HB       TRP  16  -5.608  30.120  21.218
  113   2HB   TRP  16          2HB       TRP  16  -3.880  29.841  21.006
  114    HD1  TRP  16           HD1      TRP  16  -3.478  29.732  23.629
  115    HE1  TRP  16           HE1      TRP  16  -3.328  31.577  25.423
  116    HE3  TRP  16           HE3      TRP  16  -5.539  33.635  21.057
  117    HZ2  TRP  16           HZ2      TRP  16  -3.993  34.340  25.727
  118    HZ3  TRP  16           HZ3      TRP  16  -5.766  35.861  22.124
  119    HH2  TRP  16           HH2      TRP  16  -4.997  36.218  24.453
  120    H    ASP  17           H        ASP  17  -2.142  30.999  19.939
  121    HA   ASP  17           HA       ASP  17  -2.031  30.591  17.004
  122   1HB   ASP  17          1HB       ASP  17  -0.194  31.135  19.268
  123   2HB   ASP  17          2HB       ASP  17   0.474  30.128  17.983
  124    H    MET  18           H        MET  18  -0.402  28.627  16.477
  125    HA   MET  18           HA       MET  18  -1.784  26.201  17.355
  126   1HB   MET  18          1HB       MET  18  -0.175  27.129  15.189
  127   2HB   MET  18          2HB       MET  18   0.625  25.713  15.872
  128   1HG   MET  18          1HG       MET  18  -0.855  24.692  14.398
  129   2HG   MET  18          2HG       MET  18  -1.835  24.724  15.864
  130   1HE   MET  18          1HE       MET  18  -1.839  24.762  12.626
  131   2HE   MET  18          2HE       MET  18  -3.572  24.609  12.941
  132   3HE   MET  18          3HE       MET  18  -2.970  25.924  11.937
  133    H    ASP  19           H        ASP  19   1.629  27.308  17.514
  134    HA   ASP  19           HA       ASP  19   1.925  25.687  20.019
  135   1HB   ASP  19          1HB       ASP  19   4.267  25.218  19.084
  136   2HB   ASP  19          2HB       ASP  19   2.930  24.421  18.255
  137    H    ASP  20           H        ASP  20   2.084  28.724  18.638
  138    HA   ASP  20           HA       ASP  20   4.497  29.777  19.838
  139   1HB   ASP  20          1HB       ASP  20   2.318  30.604  18.173
  140   2HB   ASP  20          2HB       ASP  20   2.487  31.776  19.480
  141    H    ASP  21           H        ASP  21   1.040  30.156  20.747
  142    HA   ASP  21           HA       ASP  21   1.678  31.368  23.310
  143   1HB   ASP  21          1HB       ASP  21  -0.618  30.697  21.653
  144   2HB   ASP  21          2HB       ASP  21  -0.935  30.345  23.351
  145    H    ASP  22           H        ASP  22   1.944  28.203  22.223
  146    HA   ASP  22           HA       ASP  22   1.994  26.104  23.334
  147   1HB   ASP  22          1HB       ASP  22   3.722  27.940  24.369
  148   2HB   ASP  22          2HB       ASP  22   2.817  27.502  25.818
  149    H    LEU  23           H        LEU  23  -0.599  26.889  23.317
  150    HA   LEU  23           HA       LEU  23  -2.079  27.515  25.546
  151   1HB   LEU  23          2HB       LEU  23  -2.611  25.150  23.719
  152   2HB   LEU  23          1HB       LEU  23  -3.816  26.123  24.563
  153    HG   LEU  23           HG       LEU  23  -2.312  28.002  23.161
  154   1HD1  LEU  23          1HD1      LEU  23  -1.687  25.601  21.974
  155   2HD1  LEU  23          2HD1      LEU  23  -3.061  26.138  21.008
  156   3HD1  LEU  23          3HD1      LEU  23  -1.636  27.165  21.160
  157   1HD2  LEU  23          1HD2      LEU  23  -4.924  26.625  22.472
  158   2HD2  LEU  23          2HD2      LEU  23  -4.724  28.086  23.440
  159   3HD2  LEU  23          3HD2      LEU  23  -4.362  28.114  21.714
  160    H    PHE  24           H        PHE  24  -0.602  24.322  24.909
  161    HA   PHE  24           HA       PHE  24  -1.641  22.868  27.089
  162   1HB   PHE  24          1HB       PHE  24   0.951  22.873  25.550
  163   2HB   PHE  24          2HB       PHE  24   0.708  21.733  26.873
  164    HD1  PHE  24           HD1      PHE  24  -1.638  20.471  26.829
  165    HD2  PHE  24           HD2      PHE  24   0.268  22.248  23.415
  166    HE1  PHE  24           HE1      PHE  24  -2.966  19.011  25.327
  167    HE2  PHE  24           HE2      PHE  24  -1.060  20.789  21.912
  168    HZ   PHE  24           HZ       PHE  24  -2.678  19.170  22.869
  169    H    GLU  25           H        GLU  25   0.582  25.523  27.075
  170    HA   GLU  25           HA       GLU  25   1.429  24.939  29.884
  171   1HB   GLU  25          1HB       GLU  25   2.866  25.609  27.685
  172   2HB   GLU  25          2HB       GLU  25   2.536  27.218  28.329
  173   1HG   GLU  25          2HG       GLU  25   4.222  26.893  29.791
  174   2HG   GLU  25          1HG       GLU  25   3.235  25.652  30.561
  175    H    LYS  26           H        LYS  26   0.253  27.657  27.858
  176    HA   LYS  26           HA       LYS  26  -0.250  29.423  30.081
  177   1HB   LYS  26          1HB       LYS  26  -0.106  29.607  27.364
  178   2HB   LYS  26          2HB       LYS  26  -1.853  29.677  27.599
  179   1HG   LYS  26          2HG       LYS  26  -1.570  31.868  28.076
  180   2HG   LYS  26          1HG       LYS  26  -0.843  31.341  29.594
  181   1HD   LYS  26          1HD       LYS  26   1.178  31.055  27.652
  182   2HD   LYS  26          2HD       LYS  26   0.416  32.609  27.313
  183   1HE   LYS  26          1HE       LYS  26   0.675  33.212  29.737
  184   2HE   LYS  26          2HE       LYS  26   1.579  31.703  29.969
  185   1HZ   LYS  26          1HZ       LYS  26   2.237  33.737  27.902
  186   2HZ   LYS  26          2HZ       LYS  26   3.002  33.660  29.417
  187   3HZ   LYS  26          3HZ       LYS  26   3.154  32.371  28.321
  188    H    ALA  27           H        ALA  27  -2.166  26.955  28.451
  189    HA   ALA  27           HA       ALA  27  -4.757  27.661  29.401
  190   1HB   ALA  27          1HB       ALA  27  -4.059  25.954  27.653
  191   2HB   ALA  27          2HB       ALA  27  -3.623  24.881  28.982
  192   3HB   ALA  27          3HB       ALA  27  -5.298  25.391  28.776
  193    H    ALA  28           H        ALA  28  -2.116  25.840  30.917
  194    HA   ALA  28           HA       ALA  28  -3.637  24.913  33.197
  195   1HB   ALA  28          1HB       ALA  28  -1.131  24.531  32.057
  196   2HB   ALA  28          3HB       ALA  28  -0.762  25.360  33.570
  197   3HB   ALA  28          2HB       ALA  28  -1.668  23.847  33.592
  198    H    ASP  29           H        ASP  29  -2.016  27.909  32.389
  199    HA   ASP  29           HA       ASP  29  -1.878  28.912  35.133
  200   1HB   ASP  29          1HB       ASP  29  -0.293  29.643  33.452
  201   2HB   ASP  29          2HB       ASP  29  -1.596  30.144  32.374
  202    H    ALA  30           H        ALA  30  -4.284  28.771  32.638
  203    HA   ALA  30           HA       ALA  30  -5.881  30.984  33.797
  204   1HB   ALA  30          1HB       ALA  30  -6.795  29.151  31.609
  205   2HB   ALA  30          3HB       ALA  30  -5.457  30.251  31.280
  206   3HB   ALA  30          2HB       ALA  30  -7.026  30.892  31.771
  207    H    GLY  31           H        GLY  31  -6.605  27.617  32.849
  208   1HA   GLY  31          2HA       GLY  31  -8.246  27.380  35.337
  209   2HA   GLY  31          1HA       GLY  31  -7.435  26.017  34.564
  210    H    LEU  32           H        LEU  32  -8.190  25.526  32.286
  211    HA   LEU  32           HA       LEU  32 -10.900  26.478  31.590
  212   1HB   LEU  32          1HB       LEU  32  -8.702  24.853  30.347
  213   2HB   LEU  32          2HB       LEU  32 -10.329  24.744  29.673
  214    HG   LEU  32           HG       LEU  32  -9.454  27.499  30.233
  215   1HD1  LEU  32          1HD1      LEU  32  -7.682  25.670  28.819
  216   2HD1  LEU  32          2HD1      LEU  32  -8.214  26.990  27.778
  217   3HD1  LEU  32          3HD1      LEU  32  -7.402  27.342  29.303
  218   1HD2  LEU  32          1HD2      LEU  32 -11.438  26.362  28.809
  219   2HD2  LEU  32          2HD2      LEU  32 -10.779  27.949  28.410
  220   3HD2  LEU  32          3HD2      LEU  32 -10.234  26.521  27.530
  221    H    ASP  33           H        ASP  33 -12.370  24.548  30.726
  222    HA   ASP  33           HA       ASP  33 -13.112  22.937  32.989
  223   1HB   ASP  33          1HB       ASP  33 -14.103  23.694  30.449
  224   2HB   ASP  33          2HB       ASP  33 -14.071  21.931  30.452
  225    H    GLY  34           H        GLY  34 -12.443  20.890  33.555
  226   1HA   GLY  34          2HA       GLY  34 -11.312  18.836  33.451
  227   2HA   GLY  34          1HA       GLY  34 -10.124  19.695  32.471
  228    H    GLU  35           H        GLU  35 -13.399  19.627  31.344
  229    HA   GLU  35           HA       GLU  35 -13.114  17.208  29.722
  230   1HB   GLU  35          1HB       GLU  35 -15.144  18.963  30.644
  231   2HB   GLU  35          2HB       GLU  35 -15.205  19.011  28.882
  232   1HG   GLU  35          1HG       GLU  35 -15.057  16.410  30.420
  233   2HG   GLU  35          2HG       GLU  35 -16.593  17.175  30.011
  234    H    ASP  36           H        ASP  36 -11.898  20.338  29.435
  235    HA   ASP  36           HA       ASP  36 -11.828  20.148  26.439
  236   1HB   ASP  36          1HB       ASP  36 -11.704  22.519  28.330
  237   2HB   ASP  36          2HB       ASP  36 -11.563  22.633  26.576
  238    H    TYR  37           H        TYR  37  -9.950  21.147  29.314
  239    HA   TYR  37           HA       TYR  37  -7.458  20.440  27.804
  240   1HB   TYR  37          1HB       TYR  37  -7.596  22.817  27.757
  241   2HB   TYR  37          2HB       TYR  37  -8.174  22.892  29.421
  242    HD1  TYR  37           HD1      TYR  37  -5.296  21.146  27.754
  243    HD2  TYR  37           HD2      TYR  37  -6.586  23.874  30.811
  244    HE1  TYR  37           HE1      TYR  37  -2.960  21.345  28.561
  245    HE2  TYR  37           HE2      TYR  37  -4.249  24.073  31.619
  246    HH   TYR  37           HH       TYR  37  -2.118  22.486  31.484
  247    H    GLY  38           H        GLY  38  -6.507  18.779  28.922
  248   1HA   GLY  38          2HA       GLY  38  -7.173  17.805  31.441
  249   2HA   GLY  38          1HA       GLY  38  -5.935  19.021  31.756
  250    H    THR  39           H        THR  39  -4.629  17.139  32.509
  251    HA   THR  39           HA       THR  39  -2.944  16.118  30.323
  252    HB   THR  39           HB       THR  39  -2.624  15.271  33.164
  253    HG1  THR  39           HG1      THR  39  -2.415  17.230  33.909
  254   1HG2  THR  39          1HG2      THR  39  -0.928  16.106  30.846
  255   2HG2  THR  39          2HG2      THR  39  -0.277  16.288  32.474
  256   3HG2  THR  39          3HG2      THR  39  -0.775  14.698  31.897
  257    H    MET  40           H        MET  40  -3.373  14.183  29.345
  258    HA   MET  40           HA       MET  40  -5.319  12.313  30.518
  259   1HB   MET  40          1HB       MET  40  -4.866  13.098  28.030
  260   2HB   MET  40          2HB       MET  40  -3.676  11.799  28.060
  261   1HG   MET  40          1HG       MET  40  -5.467  10.236  28.832
  262   2HG   MET  40          2HG       MET  40  -6.639  11.541  28.651
  263   1HE   MET  40          1HE       MET  40  -7.924  11.730  27.235
  264   2HE   MET  40          2HE       MET  40  -7.689  11.896  25.490
  265   3HE   MET  40          3HE       MET  40  -8.183  10.349  26.172
  266    H    GLU  41           H        GLU  41  -4.463  11.055  32.174
  267    HA   GLU  41           HA       GLU  41  -1.678  10.067  31.991
  268   1HB   GLU  41          1HB       GLU  41  -2.522  10.953  34.103
  269   2HB   GLU  41          2HB       GLU  41  -3.884   9.834  34.063
  270   1HG   GLU  41          1HG       GLU  41  -2.464   7.941  34.379
  271   2HG   GLU  41          2HG       GLU  41  -1.013   8.885  34.043
  272    H    VAL  42           H        VAL  42  -1.404   8.242  30.753
  273    HA   VAL  42           HA       VAL  42  -3.234   5.937  31.234
  274    HB   VAL  42           HB       VAL  42  -2.514   7.104  28.525
  275   1HG1  VAL  42          1HG1      VAL  42  -3.648   4.528  29.415
  276   2HG1  VAL  42          2HG1      VAL  42  -4.563   5.330  28.139
  277   3HG1  VAL  42          3HG1      VAL  42  -2.859   4.945  27.893
  278   1HG2  VAL  42          1HG2      VAL  42  -5.151   7.000  30.022
  279   2HG2  VAL  42          2HG2      VAL  42  -4.182   8.448  29.746
  280   3HG2  VAL  42          3HG2      VAL  42  -4.929   7.614  28.384
  281    H    ALA  43           H        ALA  43  -1.985   4.134  31.537
  282    HA   ALA  43           HA       ALA  43   0.844   4.091  31.400
  283   1HB   ALA  43          1HB       ALA  43  -1.071   2.523  32.422
  284   2HB   ALA  43          3HB       ALA  43   0.551   1.904  32.107
  285   3HB   ALA  43          2HB       ALA  43  -0.749   1.600  30.954
  286    H    GLU  44           H        GLU  44   2.245   2.974  29.849
  287    HA   GLU  44           HA       GLU  44   1.554   3.492  27.079
  288   1HB   GLU  44          1HB       GLU  44   3.821   1.944  28.377
  289   2HB   GLU  44          2HB       GLU  44   3.802   2.509  26.706
  290   1HG   GLU  44          1HG       GLU  44   4.620   4.488  27.400
  291   2HG   GLU  44          2HG       GLU  44   3.149   4.739  28.340
  292    H    GLY  45           H        GLY  45   0.149   2.180  25.996
  293   1HA   GLY  45          2HA       GLY  45   0.340  -0.767  26.480
  294   2HA   GLY  45          1HA       GLY  45   0.008  -0.072  24.892
  295    H    GLU  46           H        GLU  46  -1.456   1.671  27.413
  296    HA   GLU  46           HA       GLU  46  -3.960   0.081  27.399
  297   1HB   GLU  46          1HB       GLU  46  -2.617   1.535  29.284
  298   2HB   GLU  46          2HB       GLU  46  -3.806   2.718  28.741
  299   1HG   GLU  46          1HG       GLU  46  -5.544   0.836  29.019
  300   2HG   GLU  46          2HG       GLU  46  -4.296  -0.017  29.927
  301    H    TYR  47           H        TYR  47  -5.265   0.446  25.635
  302    HA   TYR  47           HA       TYR  47  -5.225   2.441  23.737
  303   1HB   TYR  47          2HB       TYR  47  -7.655   1.172  25.047
  304   2HB   TYR  47          1HB       TYR  47  -7.634   1.914  23.448
  305    HD1  TYR  47           HD1      TYR  47  -5.036   1.029  22.382
  306    HD2  TYR  47           HD2      TYR  47  -7.965  -1.135  24.660
  307    HE1  TYR  47           HE1      TYR  47  -4.224  -1.100  21.404
  308    HE2  TYR  47           HE2      TYR  47  -7.153  -3.264  23.683
  309    HH   TYR  47           HH       TYR  47  -5.641  -4.226  22.372
  310    H    ILE  48           H        ILE  48  -5.373   4.636  23.866
  311    HA   ILE  48           HA       ILE  48  -5.946   6.083  26.245
  312    HB   ILE  48           HB       ILE  48  -5.921   6.764  23.302
  313   1HG1  ILE  48          1HG1      ILE  48  -3.808   6.065  24.524
  314   2HG1  ILE  48          2HG1      ILE  48  -3.742   7.667  23.790
  315   1HG2  ILE  48          1HG2      ILE  48  -6.701   8.402  25.651
  316   2HG2  ILE  48          2HG2      ILE  48  -5.563   9.155  24.534
  317   3HG2  ILE  48          3HG2      ILE  48  -7.131   8.597  23.951
  318   1HD1  ILE  48          1HD1      ILE  48  -4.848   7.931  26.417
  319   2HD1  ILE  48          2HD1      ILE  48  -3.371   6.974  26.533
  320   3HD1  ILE  48          3HD1      ILE  48  -3.326   8.579  25.804
  321    H    LEU  49           H        LEU  49  -8.022   5.856  23.295
  322    HA   LEU  49           HA       LEU  49 -10.293   7.172  24.144
  323   1HB   LEU  49          2HB       LEU  49 -11.498   5.692  22.642
  324   2HB   LEU  49          1HB       LEU  49  -9.883   5.943  21.982
  325    HG   LEU  49           HG       LEU  49  -9.272   3.801  23.368
  326   1HD1  LEU  49          1HD1      LEU  49 -12.112   4.033  23.793
  327   2HD1  LEU  49          2HD1      LEU  49 -11.774   2.550  22.903
  328   3HD1  LEU  49          3HD1      LEU  49 -10.994   2.842  24.457
  329   1HD2  LEU  49          1HD2      LEU  49 -10.043   4.282  20.712
  330   2HD2  LEU  49          2HD2      LEU  49  -9.175   2.870  21.317
  331   3HD2  LEU  49          3HD2      LEU  49 -10.934   2.835  21.190
  332    H    GLU  50           H        GLU  50  -9.083   4.109  25.366
  333    HA   GLU  50           HA       GLU  50 -11.539   3.412  26.800
  334   1HB   GLU  50          1HB       GLU  50  -9.501   1.996  25.850
  335   2HB   GLU  50          2HB       GLU  50  -8.820   2.323  27.444
  336   1HG   GLU  50          1HG       GLU  50 -10.479   1.121  28.547
  337   2HG   GLU  50          2HG       GLU  50 -11.653   1.358  27.252
  338    H    ALA  51           H        ALA  51  -8.296   4.602  27.753
  339    HA   ALA  51           HA       ALA  51  -8.831   4.827  30.547
  340   1HB   ALA  51          1HB       ALA  51  -6.996   6.540  28.856
  341   2HB   ALA  51          2HB       ALA  51  -6.786   6.103  30.552
  342   3HB   ALA  51          3HB       ALA  51  -6.621   4.874  29.298
  343    H    ALA  52           H        ALA  52  -9.038   7.244  27.949
  344    HA   ALA  52           HA       ALA  52  -9.958   9.385  29.640
  345   1HB   ALA  52          1HB       ALA  52  -9.327   8.851  26.883
  346   2HB   ALA  52          3HB       ALA  52 -10.846   9.742  26.972
  347   3HB   ALA  52          2HB       ALA  52  -9.388  10.406  27.711
  348    H    GLU  53           H        GLU  53 -11.626   7.011  27.602
  349    HA   GLU  53           HA       GLU  53 -14.274   8.024  27.867
  350   1HB   GLU  53          1HB       GLU  53 -13.799   6.348  26.241
  351   2HB   GLU  53          2HB       GLU  53 -13.063   5.288  27.443
  352   1HG   GLU  53          1HG       GLU  53 -15.418   4.642  26.709
  353   2HG   GLU  53          2HG       GLU  53 -15.187   4.810  28.449
  354    H    ALA  54           H        ALA  54 -12.346   5.926  29.952
  355    HA   ALA  54           HA       ALA  54 -14.544   5.372  31.804
  356   1HB   ALA  54          1HB       ALA  54 -11.984   4.372  31.176
  357   2HB   ALA  54          3HB       ALA  54 -11.861   4.964  32.833
  358   3HB   ALA  54          2HB       ALA  54 -13.080   3.760  32.415
  359    H    GLN  55           H        GLN  55 -12.810   8.130  31.191
  360    HA   GLN  55           HA       GLN  55 -12.683   8.968  34.060
  361   1HB   GLN  55          1HB       GLN  55 -11.167   9.463  31.585
  362   2HB   GLN  55          2HB       GLN  55 -11.499  10.928  32.511
  363   1HG   GLN  55          1HG       GLN  55 -10.361   8.413  33.755
  364   2HG   GLN  55          2HG       GLN  55  -9.352   9.721  33.137
  365   2HE2  GLN  55          2HE2      GLN  55 -10.008   8.713  36.013
  366   1HE2  GLN  55          1HE2      GLN  55 -10.428  10.135  36.840
  367    H    GLY  56           H        GLY  56 -14.113   9.730  30.919
  368   1HA   GLY  56          2HA       GLY  56 -15.698  11.893  32.245
  369   2HA   GLY  56          1HA       GLY  56 -16.448  10.725  31.160
  370    H    TYR  57           H        TYR  57 -13.917  10.832  29.445
  371    HA   TYR  57           HA       TYR  57 -14.093  13.587  28.336
  372   1HB   TYR  57          1HB       TYR  57 -12.322  11.173  27.865
  373   2HB   TYR  57          2HB       TYR  57 -12.189  12.654  26.918
  374    HD1  TYR  57           HD1      TYR  57 -12.727  14.718  28.986
  375    HD2  TYR  57           HD2      TYR  57 -10.362  11.139  29.164
  376    HE1  TYR  57           HE1      TYR  57 -11.327  15.732  30.767
  377    HE2  TYR  57           HE2      TYR  57  -8.962  12.148  30.942
  378    HH   TYR  57           HH       TYR  57  -8.546  13.968  32.142
  379    H    ASP  58           H        ASP  58 -15.460  13.960  26.626
  380    HA   ASP  58           HA       ASP  58 -16.601  11.644  25.154
  381   1HB   ASP  58          1HB       ASP  58 -17.659  13.935  26.189
  382   2HB   ASP  58          2HB       ASP  58 -17.378  14.435  24.520
  383    H    TRP  59           H        TRP  59 -16.562  11.644  22.780
  384    HA   TRP  59           HA       TRP  59 -14.470  13.409  21.569
  385   1HB   TRP  59          1HB       TRP  59 -14.741  10.393  21.360
  386   2HB   TRP  59          2HB       TRP  59 -13.597  11.365  20.432
  387    HD1  TRP  59           HD1      TRP  59 -14.262  10.018  23.914
  388    HE1  TRP  59           HE1      TRP  59 -12.197  10.446  25.394
  389    HE3  TRP  59           HE3      TRP  59 -11.521  12.982  20.784
  390    HZ2  TRP  59           HZ2      TRP  59  -9.712  11.848  25.270
  391    HZ3  TRP  59           HZ3      TRP  59  -9.309  13.848  21.492
  392    HH2  TRP  59           HH2      TRP  59  -8.402  13.285  23.730
  393    HA   PRO  60           HA       PRO  60 -17.252  13.803  18.217
  394   1HB   PRO  60          1HB       PRO  60 -15.529  13.981  16.098
  395   2HB   PRO  60          2HB       PRO  60 -15.742  15.280  17.286
  396   1HG   PRO  60          2HG       PRO  60 -13.577  13.248  17.059
  397   2HG   PRO  60          1HG       PRO  60 -13.479  14.951  17.528
  398   1HD   PRO  60          1HD       PRO  60 -13.425  12.863  19.303
  399   2HD   PRO  60          2HD       PRO  60 -13.971  14.503  19.711
  400    H    PHE  61           H        PHE  61 -17.685  12.823  15.908
  401    HA   PHE  61           HA       PHE  61 -18.052  10.919  14.554
  402   1HB   PHE  61          1HB       PHE  61 -15.439  10.914  15.164
  403   2HB   PHE  61          2HB       PHE  61 -15.907   9.442  16.015
  404    HD1  PHE  61           HD1      PHE  61 -16.178  11.152  12.698
  405    HD2  PHE  61           HD2      PHE  61 -16.216   7.428  14.838
  406    HE1  PHE  61           HE1      PHE  61 -16.218   9.916  10.549
  407    HE2  PHE  61           HE2      PHE  61 -16.255   6.192  12.689
  408    HZ   PHE  61           HZ       PHE  61 -16.255   7.437  10.544
  409    H    SER  62           H        SER  62 -18.822   8.622  14.775
  410    HA   SER  62           HA       SER  62 -20.481   8.301  17.138
  411   1HB   SER  62          2HB       SER  62 -19.859   6.185  15.079
  412   2HB   SER  62          1HB       SER  62 -21.386   6.503  15.902
  413    HG   SER  62           HG       SER  62 -20.235   7.766  13.712
  414    H    CYS  63           H        CYS  63 -17.994   8.425  18.233
  415    HA   CYS  63           HA       CYS  63 -16.465   6.035  18.412
  416   1HB   CYS  63          1HB       CYS  63 -16.328   8.574  19.366
  417   2HB   CYS  63          2HB       CYS  63 -16.808   7.724  20.835
  418    H    ARG  64           H        ARG  64 -16.377   5.197  21.014
  419    HA   ARG  64           HA       ARG  64 -17.442   3.778  22.576
  420   1HB   ARG  64          1HB       ARG  64 -18.904   6.082  22.316
  421   2HB   ARG  64          2HB       ARG  64 -20.118   4.861  21.933
  422   1HG   ARG  64          1HG       ARG  64 -19.163   3.653  24.065
  423   2HG   ARG  64          2HG       ARG  64 -18.572   5.263  24.478
  424   1HD   ARG  64          1HD       ARG  64 -20.729   6.139  24.702
  425   2HD   ARG  64          2HD       ARG  64 -21.439   4.927  23.618
  426    HE   ARG  64           HE       ARG  64 -20.285   3.597  25.879
  427   1HH1  ARG  64          1HH1      ARG  64 -23.148   4.754  24.511
  428   2HH1  ARG  64          2HH1      ARG  64 -24.097   4.591  25.950
  429   1HH2  ARG  64          1HH2      ARG  64 -21.394   3.771  27.960
  430   2HH2  ARG  64          2HH2      ARG  64 -23.105   4.035  27.902
  431    H    ALA  65           H        ALA  65 -18.552   1.766  22.556
  432    HA   ALA  65           HA       ALA  65 -19.295  -0.210  21.476
  433   1HB   ALA  65          1HB       ALA  65 -21.431   0.652  21.786
  434   2HB   ALA  65          2HB       ALA  65 -21.409   0.510  20.027
  435   3HB   ALA  65          3HB       ALA  65 -21.112   2.072  20.790
  436    H    GLY  66           H        GLY  66 -17.415  -0.589  20.116
  437   1HA   GLY  66          2HA       GLY  66 -17.915   0.082  17.246
  438   2HA   GLY  66          1HA       GLY  66 -17.047  -1.352  17.796
  439    H    ALA  67           H        ALA  67 -15.995   0.576  15.937
  440    HA   ALA  67           HA       ALA  67 -13.827   1.853  17.572
  441   1HB   ALA  67          1HB       ALA  67 -12.501   1.133  15.363
  442   2HB   ALA  67          3HB       ALA  67 -13.783  -0.076  15.285
  443   3HB   ALA  67          2HB       ALA  67 -12.732   0.005  16.699
  444    H    CYS  68           H        CYS  68 -12.711   3.626  16.347
  445    HA   CYS  68           HA       CYS  68 -14.677   5.208  14.799
  446   1HB   CYS  68          1HB       CYS  68 -12.296   5.616  16.469
  447   2HB   CYS  68          2HB       CYS  68 -12.323   6.651  15.041
  448    H    ALA  69           H        ALA  69 -14.589   5.329  12.590
  449    HA   ALA  69           HA       ALA  69 -12.473   3.944  11.111
  450   1HB   ALA  69          1HB       ALA  69 -14.691   3.768  10.273
  451   2HB   ALA  69          3HB       ALA  69 -14.980   5.499  10.453
  452   3HB   ALA  69          2HB       ALA  69 -13.907   4.911   9.182
  453    H    ASN  70           H        ASN  70 -13.041   7.156  12.240
  454    HA   ASN  70           HA       ASN  70 -10.542   8.099  11.017
  455   1HB   ASN  70          1HB       ASN  70 -12.788   8.269   9.488
  456   2HB   ASN  70          2HB       ASN  70 -12.880   9.805  10.352
  457   2HD2  ASN  70          2HD2      ASN  70 -10.762   7.859   8.223
  458   1HD2  ASN  70          1HD2      ASN  70  -9.836   9.172   7.676
  459    H    CYS  71           H        CYS  71 -10.706   7.990  13.623
  460    HA   CYS  71           HA       CYS  71 -12.096   9.765  15.234
  461   1HB   CYS  71          1HB       CYS  71 -10.449   8.136  16.020
  462   2HB   CYS  71          2HB       CYS  71  -9.147   9.047  15.256
  463    H    ALA  72           H        ALA  72 -11.366  11.917  16.139
  464    HA   ALA  72           HA       ALA  72 -10.035  13.591  14.032
  465   1HB   ALA  72          1HB       ALA  72 -12.102  14.668  15.916
  466   2HB   ALA  72          3HB       ALA  72 -12.634  13.665  14.567
  467   3HB   ALA  72          2HB       ALA  72 -11.742  15.155  14.260
  468    H    SER  73           H        SER  73  -7.993  13.483  15.155
  469    HA   SER  73           HA       SER  73  -7.876  15.237  17.568
  470   1HB   SER  73          2HB       SER  73  -6.731  13.610  18.822
  471   2HB   SER  73          1HB       SER  73  -7.916  12.633  17.954
  472    HG   SER  73           HG       SER  73  -6.056  12.661  16.289
  473    H    ILE  74           H        ILE  74  -5.439  15.810  17.965
  474    HA   ILE  74           HA       ILE  74  -3.822  15.682  15.467
  475    HB   ILE  74           HB       ILE  74  -4.647  18.217  16.923
  476   1HG1  ILE  74          1HG1      ILE  74  -6.429  17.189  15.506
  477   2HG1  ILE  74          2HG1      ILE  74  -5.879  18.741  14.881
  478   1HG2  ILE  74          1HG2      ILE  74  -2.292  18.055  15.862
  479   2HG2  ILE  74          2HG2      ILE  74  -3.139  18.022  14.315
  480   3HG2  ILE  74          3HG2      ILE  74  -3.308  19.416  15.383
  481   1HD1  ILE  74          1HD1      ILE  74  -4.760  16.090  13.930
  482   2HD1  ILE  74          2HD1      ILE  74  -6.107  16.908  13.140
  483   3HD1  ILE  74          3HD1      ILE  74  -4.522  17.679  13.205
  484    H    VAL  75           H        VAL  75  -2.383  14.334  16.788
  485    HA   VAL  75           HA       VAL  75  -1.317  14.972  19.322
  486    HB   VAL  75           HB       VAL  75  -0.993  12.879  17.979
  487   1HG1  VAL  75          1HG1      VAL  75  -0.460  14.167  15.849
  488   2HG1  VAL  75          2HG1      VAL  75   1.145  14.451  16.525
  489   3HG1  VAL  75          3HG1      VAL  75   0.607  12.805  16.196
  490   1HG2  VAL  75          1HG2      VAL  75   0.568  13.801  19.902
  491   2HG2  VAL  75          2HG2      VAL  75   1.039  12.369  18.989
  492   3HG2  VAL  75          3HG2      VAL  75   1.744  13.937  18.596
  493    H    LYS  76           H        LYS  76  -0.311  16.867  19.928
  494    HA   LYS  76           HA       LYS  76   0.943  18.580  17.871
  495   1HB   LYS  76          1HB       LYS  76  -0.576  19.401  19.691
  496   2HB   LYS  76          2HB       LYS  76   0.646  18.923  20.871
  497   1HG   LYS  76          1HG       LYS  76   1.868  20.779  20.471
  498   2HG   LYS  76          2HG       LYS  76   1.802  20.519  18.727
  499   1HD   LYS  76          1HD       LYS  76  -0.447  21.722  20.370
  500   2HD   LYS  76          2HD       LYS  76   0.714  22.660  19.431
  501   1HE   LYS  76          1HE       LYS  76  -0.013  21.418  17.374
  502   2HE   LYS  76          2HE       LYS  76  -1.261  20.617  18.348
  503   1HZ   LYS  76          1HZ       LYS  76  -1.869  22.960  19.090
  504   2HZ   LYS  76          2HZ       LYS  76  -0.939  23.509  17.778
  505   3HZ   LYS  76          3HZ       LYS  76  -2.300  22.529  17.504
  506    H    GLU  77           H        GLU  77   1.933  16.124  20.034
  507    HA   GLU  77           HA       GLU  77   4.700  16.319  19.281
  508   1HB   GLU  77          1HB       GLU  77   3.856  18.193  21.178
  509   2HB   GLU  77          2HB       GLU  77   4.658  16.943  22.130
  510   1HG   GLU  77          1HG       GLU  77   6.281  17.325  19.856
  511   2HG   GLU  77          2HG       GLU  77   5.832  18.943  20.396
  512    H    GLY  78           H        GLY  78   5.821  14.470  19.979
  513   1HA   GLY  78          2HA       GLY  78   4.399  12.703  21.923
  514   2HA   GLY  78          1HA       GLY  78   6.134  12.644  21.610
  515    H    GLU  79           H        GLU  79   5.547  10.275  21.239
  516    HA   GLU  79           HA       GLU  79   4.797   9.900  18.359
  517   1HB   GLU  79          1HB       GLU  79   7.120   9.335  19.603
  518   2HB   GLU  79          2HB       GLU  79   6.259   7.834  19.940
  519   1HG   GLU  79          1HG       GLU  79   6.525   7.135  17.815
  520   2HG   GLU  79          2HG       GLU  79   5.861   8.642  17.184
  521    H    ILE  80           H        ILE  80   2.932   8.765  17.993
  522    HA   ILE  80           HA       ILE  80   1.704   7.287  20.284
  523    HB   ILE  80           HB       ILE  80   0.590   8.392  17.685
  524   1HG1  ILE  80          1HG1      ILE  80   0.032   9.343  20.497
  525   2HG1  ILE  80          2HG1      ILE  80   1.378   9.987  19.556
  526   1HG2  ILE  80          1HG2      ILE  80  -0.578   6.757  19.904
  527   2HG2  ILE  80          2HG2      ILE  80  -1.584   8.005  19.167
  528   3HG2  ILE  80          3HG2      ILE  80  -0.921   6.705  18.175
  529   1HD1  ILE  80          1HD1      ILE  80  -1.322   9.870  18.267
  530   2HD1  ILE  80          2HD1      ILE  80  -1.022  11.129  19.465
  531   3HD1  ILE  80          3HD1      ILE  80  -0.013  11.027  18.023
  532    H    ASP  81           H        ASP  81   0.639   5.210  19.752
  533    HA   ASP  81           HA       ASP  81   1.827   3.841  17.362
  534   1HB   ASP  81          1HB       ASP  81   2.972   3.379  19.564
  535   2HB   ASP  81          2HB       ASP  81   1.453   2.699  20.148
  536    H    MET  82           H        MET  82   0.338   2.646  16.202
  537    HA   MET  82           HA       MET  82  -2.227   1.871  17.511
  538   1HB   MET  82          1HB       MET  82  -2.343   4.147  16.388
  539   2HB   MET  82          2HB       MET  82  -2.038   3.324  14.858
  540   1HG   MET  82          1HG       MET  82  -4.151   2.030  16.408
  541   2HG   MET  82          2HG       MET  82  -4.534   3.711  16.034
  542   1HE   MET  82          1HE       MET  82  -3.541   4.652  14.019
  543   2HE   MET  82          2HE       MET  82  -3.240   3.844  12.484
  544   3HE   MET  82          3HE       MET  82  -4.867   4.416  12.883
  545    H    ASP  83           H        ASP  83  -3.058  -0.060  16.673
  546    HA   ASP  83           HA       ASP  83  -1.350  -1.831  15.225
  547   1HB   ASP  83          1HB       ASP  83  -4.144  -1.702  16.214
  548   2HB   ASP  83          2HB       ASP  83  -3.859  -2.853  14.908
  549    H    MET  84           H        MET  84  -1.911  -2.802  13.053
  550    HA   MET  84           HA       MET  84  -2.126  -0.780  11.014
  551   1HB   MET  84          1HB       MET  84  -1.463  -3.527  11.304
  552   2HB   MET  84          2HB       MET  84  -2.728  -3.439  10.079
  553   1HG   MET  84          1HG       MET  84  -1.182  -1.346   9.313
  554   2HG   MET  84          2HG       MET  84   0.049  -2.398  10.010
  555   1HE   MET  84          1HE       MET  84   0.178  -1.379   7.543
  556   2HE   MET  84          2HE       MET  84   0.699  -2.723   6.530
  557   3HE   MET  84          3HE       MET  84  -0.846  -1.919   6.215
  558    H    GLN  85           H        GLN  85  -3.907  -0.251   9.687
  559    HA   GLN  85           HA       GLN  85  -6.402  -1.708   9.679
  560   1HB   GLN  85          1HB       GLN  85  -6.558  -0.919  11.953
  561   2HB   GLN  85          2HB       GLN  85  -6.085   0.712  11.477
  562   1HG   GLN  85          1HG       GLN  85  -8.171   0.731   9.996
  563   2HG   GLN  85          2HG       GLN  85  -8.667  -0.733  10.845
  564   2HE2  GLN  85          2HE2      GLN  85 -10.367   1.376  11.207
  565   1HE2  GLN  85          1HE2      GLN  85 -10.160   2.084  12.736
  566    H    GLN  86           H        GLN  86  -7.689  -0.940   7.988
  567    HA   GLN  86           HA       GLN  86  -8.091   0.256   5.979
  568   1HB   GLN  86          1HB       GLN  86  -8.627   1.690   8.262
  569   2HB   GLN  86          2HB       GLN  86  -7.586   2.806   7.378
  570   1HG   GLN  86          1HG       GLN  86  -9.060   2.368   5.344
  571   2HG   GLN  86          2HG       GLN  86 -10.177   1.555   6.440
  572   2HE2  GLN  86          2HE2      GLN  86 -11.608   3.477   5.633
  573   1HE2  GLN  86          1HE2      GLN  86 -11.517   4.918   6.526
  574    H    ILE  87           H        ILE  87  -7.135   2.591   4.941
  575    HA   ILE  87           HA       ILE  87  -4.476   1.904   4.056
  576    HB   ILE  87           HB       ILE  87  -6.357   4.249   3.779
  577   1HG1  ILE  87          1HG1      ILE  87  -5.271   2.832   1.432
  578   2HG1  ILE  87          2HG1      ILE  87  -6.208   1.811   2.524
  579   1HG2  ILE  87          1HG2      ILE  87  -3.455   4.101   3.119
  580   2HG2  ILE  87          2HG2      ILE  87  -4.514   4.788   1.887
  581   3HG2  ILE  87          3HG2      ILE  87  -4.453   5.506   3.497
  582   1HD1  ILE  87          1HD1      ILE  87  -7.392   4.465   1.956
  583   2HD1  ILE  87          2HD1      ILE  87  -7.320   3.365   0.579
  584   3HD1  ILE  87          3HD1      ILE  87  -8.166   2.884   2.049
  585    H    LEU  88           H        LEU  88  -5.203   5.151   5.260
  586    HA   LEU  88           HA       LEU  88  -4.087   6.488   6.865
  587   1HB   LEU  88          1HB       LEU  88  -4.510   4.033   7.975
  588   2HB   LEU  88          2HB       LEU  88  -2.752   4.132   8.071
  589    HG   LEU  88           HG       LEU  88  -3.327   6.597   8.944
  590   1HD1  LEU  88          1HD1      LEU  88  -5.735   4.904   9.678
  591   2HD1  LEU  88          2HD1      LEU  88  -5.340   6.452  10.427
  592   3HD1  LEU  88          3HD1      LEU  88  -5.743   6.380   8.711
  593   1HD2  LEU  88          1HD2      LEU  88  -3.364   4.002  10.502
  594   2HD2  LEU  88          2HD2      LEU  88  -1.999   5.088  10.246
  595   3HD2  LEU  88          3HD2      LEU  88  -3.334   5.581  11.286
  596    H    SER  89           H        SER  89  -1.792   7.080   7.529
  597    HA   SER  89           HA       SER  89   0.461   5.795   6.211
  598   1HB   SER  89          1HB       SER  89  -1.191   7.587   4.729
  599   2HB   SER  89          2HB       SER  89   0.343   8.406   5.023
  600    HG   SER  89           HG       SER  89  -0.147   5.958   3.724
  601    H    ASP  90           H        ASP  90   2.421   6.629   7.038
  602    HA   ASP  90           HA       ASP  90   2.474   7.994   9.491
  603   1HB   ASP  90          1HB       ASP  90   4.296   6.675   8.365
  604   2HB   ASP  90          2HB       ASP  90   4.570   8.053   7.299
  605    H    GLU  91           H        GLU  91   2.738   9.330   6.207
  606    HA   GLU  91           HA       GLU  91   3.342  12.018   6.813
  607   1HB   GLU  91          1HB       GLU  91   1.466  10.924   4.691
  608   2HB   GLU  91          2HB       GLU  91   2.343  12.452   4.617
  609   1HG   GLU  91          1HG       GLU  91   4.293  10.499   5.171
  610   2HG   GLU  91          2HG       GLU  91   3.258   9.788   3.931
  611    H    GLU  92           H        GLU  92   0.418  10.209   7.332
  612    HA   GLU  92           HA       GLU  92  -1.415  12.450   7.504
  613   1HB   GLU  92          1HB       GLU  92  -1.870   9.953   7.134
  614   2HB   GLU  92          2HB       GLU  92  -1.611   9.754   8.868
  615   1HG   GLU  92          1HG       GLU  92  -3.352  11.945   8.639
  616   2HG   GLU  92          2HG       GLU  92  -3.946  10.765   7.470
  617    H    VAL  93           H        VAL  93   0.366  10.529   9.941
  618    HA   VAL  93           HA       VAL  93  -0.595  12.160  12.168
  619    HB   VAL  93           HB       VAL  93   1.727  10.213  11.995
  620   1HG1  VAL  93          1HG1      VAL  93   0.138  11.470  14.210
  621   2HG1  VAL  93          2HG1      VAL  93   0.793   9.848  14.436
  622   3HG1  VAL  93          3HG1      VAL  93   1.877  11.198  14.100
  623   1HG2  VAL  93          1HG2      VAL  93  -0.809   9.587  11.266
  624   2HG2  VAL  93          2HG2      VAL  93   0.271   8.448  12.069
  625   3HG2  VAL  93          3HG2      VAL  93  -0.924   9.341  13.008
  626    H    GLU  94           H        GLU  94   2.034  12.303   9.903
  627    HA   GLU  94           HA       GLU  94   3.705  14.065  11.573
  628   1HB   GLU  94          1HB       GLU  94   3.853  12.530   9.079
  629   2HB   GLU  94          2HB       GLU  94   4.622  14.112   8.946
  630   1HG   GLU  94          1HG       GLU  94   5.159  12.359  11.336
  631   2HG   GLU  94          2HG       GLU  94   6.039  12.103   9.828
  632    H    GLU  95           H        GLU  95   1.563  14.338   8.737
  633    HA   GLU  95           HA       GLU  95   1.981  17.280   8.663
  634   1HB   GLU  95          1HB       GLU  95   2.053  15.932   6.596
  635   2HB   GLU  95          2HB       GLU  95   0.417  15.356   6.911
  636   1HG   GLU  95          1HG       GLU  95  -0.025  18.010   7.068
  637   2HG   GLU  95          2HG       GLU  95   1.338  18.019   5.950
  638    H    LYS  96           H        LYS  96  -0.603  14.886   9.208
  639    HA   LYS  96           HA       LYS  96  -2.513  17.073   9.865
  640   1HB   LYS  96          1HB       LYS  96  -2.651  14.601   8.570
  641   2HB   LYS  96          2HB       LYS  96  -3.429  14.313  10.125
  642   1HG   LYS  96          1HG       LYS  96  -5.242  15.514   9.524
  643   2HG   LYS  96          2HG       LYS  96  -4.243  16.869   8.997
  644   1HD   LYS  96          1HD       LYS  96  -3.732  15.399   6.917
  645   2HD   LYS  96          2HD       LYS  96  -5.144  14.466   7.413
  646   1HE   LYS  96          1HE       LYS  96  -5.623  17.369   7.443
  647   2HE   LYS  96          2HE       LYS  96  -5.240  16.733   5.831
  648   1HZ   LYS  96          1HZ       LYS  96  -6.814  14.846   6.457
  649   2HZ   LYS  96          2HZ       LYS  96  -7.365  15.860   7.703
  650   3HZ   LYS  96          3HZ       LYS  96  -7.523  16.343   6.082
  651    H    ASP  97           H        ASP  97  -0.564  14.605  11.396
  652    HA   ASP  97           HA       ASP  97  -0.195  14.151  13.691
  653   1HB   ASP  97          2HB       ASP  97  -1.920  16.511  14.388
  654   2HB   ASP  97          1HB       ASP  97  -0.382  16.009  15.088
  655    H    VAL  98           H        VAL  98  -2.895  13.563  12.151
  656    HA   VAL  98           HA       VAL  98  -4.787  13.318  14.391
  657    HB   VAL  98           HB       VAL  98  -4.780  12.649  11.441
  658   1HG1  VAL  98          1HG1      VAL  98  -6.747  11.922  13.591
  659   2HG1  VAL  98          2HG1      VAL  98  -7.341  12.325  11.981
  660   3HG1  VAL  98          3HG1      VAL  98  -6.221  10.979  12.196
  661   1HG2  VAL  98          1HG2      VAL  98  -4.987  15.036  12.214
  662   2HG2  VAL  98          2HG2      VAL  98  -6.387  14.459  11.310
  663   3HG2  VAL  98          3HG2      VAL  98  -6.462  14.578  13.067
  664    H    ARG  99           H        ARG  99  -5.725  11.210  14.979
  665    HA   ARG  99           HA       ARG  99  -4.079   8.819  14.293
  666   1HB   ARG  99          1HB       ARG  99  -3.653  10.342  16.558
  667   2HB   ARG  99          2HB       ARG  99  -4.745   9.089  17.147
  668   1HG   ARG  99          2HG       ARG  99  -2.507   8.247  17.411
  669   2HG   ARG  99          1HG       ARG  99  -3.219   7.389  16.044
  670   1HD   ARG  99          1HD       ARG  99  -2.132   9.090  14.515
  671   2HD   ARG  99          2HD       ARG  99  -1.275   9.721  15.935
  672    HE   ARG  99           HE       ARG  99  -0.298   7.434  16.219
  673   1HH1  ARG  99          1HH1      ARG  99  -2.531   6.893  13.878
  674   2HH1  ARG  99          2HH1      ARG  99  -1.444   6.262  12.687
  675   1HH2  ARG  99          1HH2      ARG  99   1.414   7.192  14.412
  676   2HH2  ARG  99          2HH2      ARG  99   0.786   6.429  12.989
  677    H    LEU 100           H        LEU 100  -5.194   6.925  15.804
  678    HA   LEU 100           HA       LEU 100  -8.143   7.144  15.289
  679   1HB   LEU 100          1HB       LEU 100  -6.395   5.516  14.059
  680   2HB   LEU 100          2HB       LEU 100  -6.723   4.523  15.479
  681    HG   LEU 100           HG       LEU 100  -9.205   5.587  14.498
  682   1HD1  LEU 100          1HD1      LEU 100  -7.267   4.627  12.453
  683   2HD1  LEU 100          2HD1      LEU 100  -8.915   4.012  12.329
  684   3HD1  LEU 100          3HD1      LEU 100  -8.617   5.749  12.282
  685   1HD2  LEU 100          1HD2      LEU 100  -7.999   2.808  14.609
  686   2HD2  LEU 100          2HD2      LEU 100  -9.027   3.561  15.827
  687   3HD2  LEU 100          3HD2      LEU 100  -9.693   3.135  14.251
  688    H    THR 101           H        THR 101  -9.380   5.508  16.764
  689    HA   THR 101           HA       THR 101 -10.049   5.115  19.015
  690    HB   THR 101           HB       THR 101  -8.074   3.869  20.183
  691    HG1  THR 101           HG1      THR 101  -6.609   3.244  18.311
  692   1HG2  THR 101          1HG2      THR 101  -9.915   3.151  18.170
  693   2HG2  THR 101          2HG2      THR 101  -8.381   2.413  17.710
  694   3HG2  THR 101          3HG2      THR 101  -9.084   2.071  19.291
  695    H    CYS 102           H        CYS 102  -8.912   7.813  18.448
  696    HA   CYS 102           HA       CYS 102  -8.073   9.689  19.627
  697   1HB   CYS 102          1HB       CYS 102  -9.548   7.915  21.543
  698   2HB   CYS 102          2HB       CYS 102  -8.683   9.304  22.201
  699    H    ILE 103           H        ILE 103  -5.884   8.571  18.982
  700    HA   ILE 103           HA       ILE 103  -3.640   8.185  19.624
  701    HB   ILE 103           HB       ILE 103  -4.639   8.732  22.433
  702   1HG1  ILE 103          2HG1      ILE 103  -3.618  11.094  21.217
  703   2HG1  ILE 103          1HG1      ILE 103  -4.828  10.426  20.122
  704   1HG2  ILE 103          1HG2      ILE 103  -2.120   8.148  21.405
  705   2HG2  ILE 103          2HG2      ILE 103  -2.116   9.906  21.548
  706   3HG2  ILE 103          3HG2      ILE 103  -2.451   8.906  22.962
  707   1HD1  ILE 103          1HD1      ILE 103  -5.991  10.126  22.628
  708   2HD1  ILE 103          2HD1      ILE 103  -5.184  11.690  22.737
  709   3HD1  ILE 103          3HD1      ILE 103  -6.369  11.396  21.465
  710    H    GLY 104           H        GLY 104  -4.506   5.898  19.065
  711   1HA   GLY 104          2HA       GLY 104  -4.096   3.617  19.580
  712   2HA   GLY 104          1HA       GLY 104  -5.439   3.923  20.677
  713    H    SER 105           H        SER 105  -1.969   3.529  20.442
  714    HA   SER 105           HA       SER 105  -1.861   3.478  23.440
  715   1HB   SER 105          1HB       SER 105   0.160   1.890  22.742
  716   2HB   SER 105          2HB       SER 105  -1.496   1.286  22.769
  717    HG   SER 105           HG       SER 105   0.091   1.250  20.746
  718    HA   PRO 106           HA       PRO 106   1.132   6.716  22.849
  719   1HB   PRO 106          1HB       PRO 106   1.830   6.977  25.481
  720   2HB   PRO 106          2HB       PRO 106   0.321   7.627  24.813
  721   1HG   PRO 106          2HG       PRO 106   0.787   5.167  26.417
  722   2HG   PRO 106          1HG       PRO 106  -0.584   6.283  26.434
  723   1HD   PRO 106          1HD       PRO 106  -0.570   3.828  25.178
  724   2HD   PRO 106          2HD       PRO 106  -1.655   5.169  24.759
  725    H    ALA 107           H        ALA 107   3.209   6.337  22.148
  726    HA   ALA 107           HA       ALA 107   4.698   4.003  23.221
  727   1HB   ALA 107          1HB       ALA 107   4.282   4.849  20.724
  728   2HB   ALA 107          3HB       ALA 107   5.712   5.821  21.070
  729   3HB   ALA 107          2HB       ALA 107   5.794   4.062  21.175
  730    H    ALA 108           H        ALA 108   4.956   7.529  22.957
  731    HA   ALA 108           HA       ALA 108   7.558   7.546  24.368
  732   1HB   ALA 108          1HB       ALA 108   6.984   9.020  22.415
  733   2HB   ALA 108          3HB       ALA 108   5.765   9.804  23.420
  734   3HB   ALA 108          2HB       ALA 108   7.472   9.928  23.847
  735    H    ASP 109           H        ASP 109   7.816   8.704  26.410
  736    HA   ASP 109           HA       ASP 109   5.913   8.120  28.420
  737   1HB   ASP 109          1HB       ASP 109   8.431   9.493  28.088
  738   2HB   ASP 109          2HB       ASP 109   7.400  10.407  29.190
  739    H    GLU 110           H        GLU 110   6.716  11.467  27.434
  740    HA   GLU 110           HA       GLU 110   3.933  12.271  28.123
  741   1HB   GLU 110          2HB       GLU 110   4.885  14.462  28.313
  742   2HB   GLU 110          1HB       GLU 110   6.076  13.362  29.008
  743   1HG   GLU 110          1HG       GLU 110   6.857  13.334  26.405
  744   2HG   GLU 110          2HG       GLU 110   6.208  14.970  26.517
  745    H    VAL 111           H        VAL 111   2.503  12.997  26.550
  746    HA   VAL 111           HA       VAL 111   3.544  13.561  23.812
  747    HB   VAL 111           HB       VAL 111   1.210  11.717  24.371
  748   1HG1  VAL 111          1HG1      VAL 111   1.875  12.995  22.085
  749   2HG1  VAL 111          2HG1      VAL 111   2.889  11.561  21.923
  750   3HG1  VAL 111          3HG1      VAL 111   1.143  11.390  22.102
  751   1HG2  VAL 111          1HG2      VAL 111   4.108  10.995  23.835
  752   2HG2  VAL 111          2HG2      VAL 111   3.252  10.746  25.355
  753   3HG2  VAL 111          3HG2      VAL 111   2.769   9.851  23.914
  754    H    LYS 112           H        LYS 112   2.314  15.130  22.737
  755    HA   LYS 112           HA       LYS 112  -0.009  16.250  24.267
  756   1HB   LYS 112          1HB       LYS 112   1.965  17.511  22.336
  757   2HB   LYS 112          2HB       LYS 112   0.648  18.371  23.134
  758   1HG   LYS 112          1HG       LYS 112   1.670  18.297  25.206
  759   2HG   LYS 112          2HG       LYS 112   2.524  16.796  24.847
  760   1HD   LYS 112          2HD       LYS 112   4.348  18.081  24.477
  761   2HD   LYS 112          1HD       LYS 112   3.552  18.598  22.991
  762   1HE   LYS 112          1HE       LYS 112   2.757  19.981  25.522
  763   2HE   LYS 112          2HE       LYS 112   4.336  20.385  24.820
  764   1HZ   LYS 112          1HZ       LYS 112   3.117  20.530  22.630
  765   2HZ   LYS 112          2HZ       LYS 112   1.669  20.502  23.519
  766   3HZ   LYS 112          3HZ       LYS 112   2.776  21.771  23.739
  767    H    ILE 113           H        ILE 113  -1.916  16.705  23.117
  768    HA   ILE 113           HA       ILE 113  -2.057  16.388  20.202
  769    HB   ILE 113           HB       ILE 113  -2.032  14.067  20.990
  770   1HG1  ILE 113          1HG1      ILE 113  -4.942  14.477  20.488
  771   2HG1  ILE 113          2HG1      ILE 113  -3.826  15.084  19.266
  772   1HG2  ILE 113          1HG2      ILE 113  -2.886  14.743  23.310
  773   2HG2  ILE 113          2HG2      ILE 113  -4.503  14.719  22.607
  774   3HG2  ILE 113          3HG2      ILE 113  -3.537  13.244  22.648
  775   1HD1  ILE 113          1HD1      ILE 113  -2.909  12.501  20.040
  776   2HD1  ILE 113          2HD1      ILE 113  -4.643  12.374  19.745
  777   3HD1  ILE 113          3HD1      ILE 113  -3.576  12.989  18.481
  778    H    VAL 114           H        VAL 114  -4.113  17.095  19.377
  779    HA   VAL 114           HA       VAL 114  -5.604  18.805  21.293
  780    HB   VAL 114           HB       VAL 114  -4.582  19.129  18.737
  781   1HG1  VAL 114          1HG1      VAL 114  -6.436  17.766  17.796
  782   2HG1  VAL 114          2HG1      VAL 114  -7.596  18.892  18.500
  783   3HG1  VAL 114          3HG1      VAL 114  -6.491  19.439  17.239
  784   1HG2  VAL 114          1HG2      VAL 114  -5.493  20.735  20.645
  785   2HG2  VAL 114          2HG2      VAL 114  -5.322  21.305  18.985
  786   3HG2  VAL 114          3HG2      VAL 114  -6.903  20.810  19.589
  787    H    TYR 115           H        TYR 115  -7.614  18.215  22.003
  788    HA   TYR 115           HA       TYR 115  -8.896  15.819  20.772
  789   1HB   TYR 115          1HB       TYR 115  -9.112  15.282  22.960
  790   2HB   TYR 115          2HB       TYR 115  -8.412  16.829  23.419
  791    HD1  TYR 115           HD1      TYR 115  -9.865  18.797  23.822
  792    HD2  TYR 115           HD2      TYR 115 -11.497  14.896  23.060
  793    HE1  TYR 115           HE1      TYR 115 -12.057  19.547  24.695
  794    HE2  TYR 115           HE2      TYR 115 -13.692  15.647  23.937
  795    HH   TYR 115           HH       TYR 115 -14.077  18.716  25.544
  796    H    ASN 116           H        ASN 116 -11.159  15.918  20.179
  797    HA   ASN 116           HA       ASN 116 -13.176  16.966  19.486
  798   1HB   ASN 116          1HB       ASN 116 -12.202  18.504  21.617
  799   2HB   ASN 116          2HB       ASN 116 -12.496  19.670  20.333
  800   2HD2  ASN 116          2HD2      ASN 116 -14.298  20.295  22.010
  801   1HD2  ASN 116          1HD2      ASN 116 -15.789  19.501  21.842
  802    H    ALA 117           H        ALA 117 -11.081  16.657  17.678
  803    HA   ALA 117           HA       ALA 117 -10.318  19.114  16.357
  804   1HB   ALA 117          1HB       ALA 117  -9.259  16.766  16.317
  805   2HB   ALA 117          3HB       ALA 117  -9.346  17.616  14.774
  806   3HB   ALA 117          2HB       ALA 117 -10.513  16.348  15.149
  807    H    LYS 118           H        LYS 118 -13.248  17.352  16.456
  808    HA   LYS 118           HA       LYS 118 -14.298  17.633  13.841
  809   1HB   LYS 118          1HB       LYS 118 -16.485  17.585  15.078
  810   2HB   LYS 118          2HB       LYS 118 -15.354  16.348  15.626
  811   1HG   LYS 118          2HG       LYS 118 -15.626  17.169  17.711
  812   2HG   LYS 118          1HG       LYS 118 -14.745  18.601  17.177
  813   1HD   LYS 118          1HD       LYS 118 -16.773  19.483  17.995
  814   2HD   LYS 118          2HD       LYS 118 -17.040  19.396  16.254
  815   1HE   LYS 118          1HE       LYS 118 -18.423  17.485  16.441
  816   2HE   LYS 118          2HE       LYS 118 -17.811  17.096  18.062
  817    H    HIS 119           H        HIS 119 -13.594  20.053  16.227
  818    HA   HIS 119           HA       HIS 119 -15.469  22.075  15.357
  819   1HB   HIS 119          1HB       HIS 119 -12.816  22.126  16.827
  820   2HB   HIS 119          2HB       HIS 119 -13.857  23.538  16.650
  821    HD1  HIS 119           HD1      HIS 119 -16.542  22.823  17.356
  822    HD2  HIS 119           HD2      HIS 119 -13.369  20.855  19.212
  823    HE1  HIS 119           HE1      HIS 119 -17.468  21.825  19.491
  824    H    LEU 120           H        LEU 120 -12.252  21.083  14.297
  825    HA   LEU 120           HA       LEU 120 -11.315  23.279  12.870
  826   1HB   LEU 120          1HB       LEU 120 -11.006  20.422  12.915
  827   2HB   LEU 120          2HB       LEU 120 -11.012  20.962  11.236
  828    HG   LEU 120           HG       LEU 120  -9.286  22.147  13.432
  829   1HD1  LEU 120          1HD1      LEU 120  -8.818  19.735  12.537
  830   2HD1  LEU 120          2HD1      LEU 120  -8.296  20.564  11.071
  831   3HD1  LEU 120          3HD1      LEU 120  -7.486  20.889  12.604
  832   1HD2  LEU 120          1HD2      LEU 120  -9.928  23.709  11.601
  833   2HD2  LEU 120          2HD2      LEU 120  -8.202  23.346  11.594
  834   3HD2  LEU 120          3HD2      LEU 120  -9.272  22.568  10.428
  835    H    ASP 121           H        ASP 121 -12.329  24.550  11.370
  836    HA   ASP 121           HA       ASP 121 -14.824  23.881  10.119
  837   1HB   ASP 121          1HB       ASP 121 -13.464  26.132  10.598
  838   2HB   ASP 121          2HB       ASP 121 -12.932  25.874   8.937
  839    H    TYR 122           H        TYR 122 -11.531  23.152   9.284
  840    HA   TYR 122           HA       TYR 122 -12.014  22.744   6.428
  841   1HB   TYR 122          1HB       TYR 122  -9.831  23.392   7.384
  842   2HB   TYR 122          2HB       TYR 122  -9.783  21.886   8.302
  843    HD1  TYR 122           HD1      TYR 122  -9.771  19.680   7.044
  844    HD2  TYR 122           HD2      TYR 122  -9.165  23.464   5.105
  845    HE1  TYR 122           HE1      TYR 122  -8.782  18.519   5.088
  846    HE2  TYR 122           HE2      TYR 122  -8.177  22.303   3.148
  847    HH   TYR 122           HH       TYR 122  -8.575  19.267   2.419
  848    H    LEU 123           H        LEU 123 -12.653  20.944   9.273
  849    HA   LEU 123           HA       LEU 123 -12.931  18.434   7.650
  850   1HB   LEU 123          1HB       LEU 123 -11.417  19.025   9.984
  851   2HB   LEU 123          2HB       LEU 123 -12.734  17.962  10.481
  852    HG   LEU 123           HG       LEU 123 -11.121  17.349   8.012
  853   1HD1  LEU 123          1HD1      LEU 123 -10.404  16.838  10.899
  854   2HD1  LEU 123          2HD1      LEU 123  -9.827  15.782   9.610
  855   3HD1  LEU 123          3HD1      LEU 123  -9.385  17.489   9.615
  856   1HD2  LEU 123          1HD2      LEU 123 -13.359  16.216   9.195
  857   2HD2  LEU 123          2HD2      LEU 123 -12.294  15.413   8.040
  858   3HD2  LEU 123          3HD2      LEU 123 -12.041  15.194   9.772
  859    H    GLN 124           H        GLN 124 -14.320  20.516  10.160
  860    HA   GLN 124           HA       GLN 124 -16.515  18.998  11.023
  861   1HB   GLN 124          1HB       GLN 124 -15.952  21.171  11.940
  862   2HB   GLN 124          2HB       GLN 124 -16.230  21.950  10.382
  863   1HG   GLN 124          1HG       GLN 124 -18.568  21.633  10.509
  864   2HG   GLN 124          2HG       GLN 124 -18.421  20.396  11.757
  865   2HE2  GLN 124          2HE2      GLN 124 -16.817  23.609  11.646
  866   1HE2  GLN 124          1HE2      GLN 124 -17.523  24.182  13.080
  867    H    ASN 125           H        ASN 125 -15.964  20.484   7.899
  868    HA   ASN 125           HA       ASN 125 -18.692  20.498   6.960
  869   1HB   ASN 125          1HB       ASN 125 -17.629  20.899   4.817
  870   2HB   ASN 125          2HB       ASN 125 -16.694  21.748   6.048
  871   2HD2  ASN 125          2HD2      ASN 125 -15.750  20.646   3.405
  872   1HD2  ASN 125          1HD2      ASN 125 -14.493  19.572   3.789
  873    H    ARG 126           H        ARG 126 -16.190  18.026   7.126
  874    HA   ARG 126           HA       ARG 126 -17.205  16.159   5.232
  875   1HB   ARG 126          1HB       ARG 126 -15.006  16.031   6.316
  876   2HB   ARG 126          2HB       ARG 126 -15.774  15.783   7.884
  877   1HG   ARG 126          2HG       ARG 126 -15.611  13.569   7.436
  878   2HG   ARG 126          1HG       ARG 126 -16.938  13.826   6.303
  879   1HD   ARG 126          1HD       ARG 126 -15.360  14.201   4.472
  880   2HD   ARG 126          2HD       ARG 126 -13.991  14.091   5.597
  881    HE   ARG 126           HE       ARG 126 -15.441  11.748   6.025
  882   1HH1  ARG 126          1HH1      ARG 126 -15.961  12.347   3.006
  883   2HH1  ARG 126          2HH1      ARG 126 -14.759  11.325   2.291
  884   1HH2  ARG 126          1HH2      ARG 126 -13.023  10.845   5.254
  885   2HH2  ARG 126          2HH2      ARG 126 -13.096  10.475   3.563
  886    H    VAL 127           H        VAL 127 -18.414  17.126   8.343
  887    HA   VAL 127           HA       VAL 127 -19.893  14.745   9.015
  888    HB   VAL 127           HB       VAL 127 -20.192  17.683   9.703
  889   1HG1  VAL 127          1HG1      VAL 127 -22.016  15.535  10.148
  890   2HG1  VAL 127          2HG1      VAL 127 -21.272  15.934  11.696
  891   3HG1  VAL 127          3HG1      VAL 127 -22.108  17.182  10.770
  892   1HG2  VAL 127          1HG2      VAL 127 -18.994  15.333  11.203
  893   2HG2  VAL 127          2HG2      VAL 127 -18.082  16.625  10.421
  894   3HG2  VAL 127          3HG2      VAL 127 -19.106  16.985  11.811
  895    H    ILE 128           H        ILE 128 -20.725  17.706   7.213
  896    HA   ILE 128           HA       ILE 128 -22.569  18.173   5.809
  897    HB   ILE 128           HB       ILE 128 -22.580  15.141   5.670
  898   1HG1  ILE 128          1HG1      ILE 128 -20.924  17.234   4.241
  899   2HG1  ILE 128          2HG1      ILE 128 -20.343  15.879   5.208
  900   1HG2  ILE 128          1HG2      ILE 128 -24.281  17.045   4.511
  901   2HG2  ILE 128          2HG2      ILE 128 -23.147  16.617   3.230
  902   3HG2  ILE 128          3HG2      ILE 128 -24.102  15.361   4.020
  903   1HD1  ILE 128          1HD1      ILE 128 -21.289  14.299   3.561
  904   2HD1  ILE 128          2HD1      ILE 128 -21.861  15.656   2.591
  905   3HD1  ILE 128          3HD1      ILE 128 -20.131  15.390   2.800

  No H/Q in entry =         905
  Start of MODEL   15
    1    H2   PRO   1           H2       PRO   1   4.380   8.475  30.677
    2    H3   PRO   1           H3       PRO   1   5.350   7.657  29.544
    3    HA   PRO   1           HA       PRO   1   3.639   7.666  28.143
    4   1HB   PRO   1          1HB       PRO   1   1.689   6.130  29.293
    5   2HB   PRO   1          2HB       PRO   1   3.196   5.454  28.648
    6   1HG   PRO   1          2HG       PRO   1   2.444   6.078  31.465
    7   2HG   PRO   1          1HG       PRO   1   3.335   4.692  30.818
    8   1HD   PRO   1          1HD       PRO   1   4.538   6.806  32.040
    9   2HD   PRO   1          2HD       PRO   1   5.326   5.829  30.786
   10    H    THR   2           H        THR   2   3.476  10.090  29.085
   11    HA   THR   2           HA       THR   2   0.747  10.488  30.257
   12    HB   THR   2           HB       THR   2   3.340  12.036  30.271
   13    HG1  THR   2           HG1      THR   2   2.197  11.985  32.599
   14   1HG2  THR   2          1HG2      THR   2   0.653  13.122  30.221
   15   2HG2  THR   2          2HG2      THR   2   1.443  13.484  31.755
   16   3HG2  THR   2          3HG2      THR   2   2.196  13.975  30.238
   17    H    VAL   3           H        VAL   3  -0.736  11.754  29.121
   18    HA   VAL   3           HA       VAL   3   0.164  12.823  26.462
   19    HB   VAL   3           HB       VAL   3  -2.450  11.531  27.306
   20   1HG1  VAL   3          1HG1      VAL   3  -1.529  12.868  24.768
   21   2HG1  VAL   3          2HG1      VAL   3  -2.742  11.588  24.715
   22   3HG1  VAL   3          3HG1      VAL   3  -3.056  13.063  25.628
   23   1HG2  VAL   3          1HG2      VAL   3  -0.070  10.594  25.702
   24   2HG2  VAL   3          2HG2      VAL   3  -0.836   9.808  27.082
   25   3HG2  VAL   3          3HG2      VAL   3  -1.656   9.847  25.521
   26    H    GLU   4           H        GLU   4  -1.317  14.624  25.682
   27    HA   GLU   4           HA       GLU   4  -2.586  16.142  27.926
   28   1HB   GLU   4          1HB       GLU   4  -0.104  16.657  26.574
   29   2HB   GLU   4          2HB       GLU   4  -1.241  17.942  26.172
   30   1HG   GLU   4          1HG       GLU   4  -1.145  18.805  28.258
   31   2HG   GLU   4          2HG       GLU   4  -1.359  17.218  28.998
   32    H    TYR   5           H        TYR   5  -4.711  16.114  27.160
   33    HA   TYR   5           HA       TYR   5  -5.223  16.520  24.267
   34   1HB   TYR   5          1HB       TYR   5  -7.508  15.929  24.904
   35   2HB   TYR   5          2HB       TYR   5  -6.386  14.794  25.654
   36    HD1  TYR   5           HD1      TYR   5  -8.482  17.801  26.256
   37    HD2  TYR   5           HD2      TYR   5  -6.142  14.668  28.034
   38    HE1  TYR   5           HE1      TYR   5  -9.363  18.411  28.491
   39    HE2  TYR   5           HE2      TYR   5  -7.024  15.278  30.271
   40    HH   TYR   5           HH       TYR   5  -8.910  16.413  31.253
   41    H    LEU   6           H        LEU   6  -6.020  18.431  23.425
   42    HA   LEU   6           HA       LEU   6  -6.769  20.603  25.355
   43   1HB   LEU   6          1HB       LEU   6  -4.455  20.385  23.789
   44   2HB   LEU   6          2HB       LEU   6  -5.483  21.508  22.901
   45    HG   LEU   6           HG       LEU   6  -4.673  21.738  25.815
   46   1HD1  LEU   6          1HD1      LEU   6  -3.174  22.381  23.659
   47   2HD1  LEU   6          2HD1      LEU   6  -4.126  23.859  23.804
   48   3HD1  LEU   6          3HD1      LEU   6  -3.136  23.309  25.157
   49   1HD2  LEU   6          1HD2      LEU   6  -6.985  22.525  25.412
   50   2HD2  LEU   6          2HD2      LEU   6  -5.902  23.871  25.766
   51   3HD2  LEU   6          3HD2      LEU   6  -6.399  23.554  24.104
   52    H    ASN   7           H        ASN   7  -8.917  21.027  24.924
   53    HA   ASN   7           HA       ASN   7 -10.392  20.332  22.634
   54   1HB   ASN   7          2HB       ASN   7 -11.991  21.970  23.502
   55   2HB   ASN   7          1HB       ASN   7 -11.217  21.152  24.859
   56   2HD2  ASN   7          2HD2      ASN   7 -12.391  23.846  24.945
   57   1HD2  ASN   7          1HD2      ASN   7 -11.127  24.910  25.331
   58    H    TYR   8           H        TYR   8  -9.873  20.922  20.554
   59    HA   TYR   8           HA       TYR   8  -8.197  23.068  19.788
   60   1HB   TYR   8          1HB       TYR   8  -8.546  21.406  18.191
   61   2HB   TYR   8          2HB       TYR   8 -10.279  21.335  18.499
   62    HD1  TYR   8           HD1      TYR   8 -11.716  23.321  17.792
   63    HD2  TYR   8           HD2      TYR   8  -7.685  22.745  16.432
   64    HE1  TYR   8           HE1      TYR   8 -12.143  24.849  15.893
   65    HE2  TYR   8           HE2      TYR   8  -8.108  24.284  14.532
   66    HH   TYR   8           HH       TYR   8 -10.541  24.996  13.250
   67    H    GLU   9           H        GLU   9 -11.545  23.090  20.742
   68    HA   GLU   9           HA       GLU   9 -12.467  25.427  19.394
   69   1HB   GLU   9          1HB       GLU   9 -13.578  23.612  20.987
   70   2HB   GLU   9          2HB       GLU   9 -13.234  24.816  22.230
   71   1HG   GLU   9          1HG       GLU   9 -15.026  26.010  21.575
   72   2HG   GLU   9          2HG       GLU   9 -14.336  26.167  19.960
   73    H    THR  10           H        THR  10 -10.800  25.051  22.529
   74    HA   THR  10           HA       THR  10 -10.777  27.831  23.241
   75    HB   THR  10           HB       THR  10  -9.188  25.365  23.922
   76    HG1  THR  10           HG1      THR  10 -10.726  27.167  25.477
   77   1HG2  THR  10          1HG2      THR  10  -8.445  28.197  24.466
   78   2HG2  THR  10          2HG2      THR  10  -8.286  27.055  25.801
   79   3HG2  THR  10          3HG2      THR  10  -7.414  26.776  24.293
   80    H    LEU  11           H        LEU  11  -8.627  25.835  21.254
   81    HA   LEU  11           HA       LEU  11  -6.476  27.696  20.958
   82   1HB   LEU  11          1HB       LEU  11  -7.214  25.140  20.095
   83   2HB   LEU  11          2HB       LEU  11  -7.086  26.074  18.605
   84    HG   LEU  11           HG       LEU  11  -4.960  25.838  20.756
   85   1HD1  LEU  11          1HD1      LEU  11  -5.580  24.335  18.341
   86   2HD1  LEU  11          2HD1      LEU  11  -3.971  25.053  18.256
   87   3HD1  LEU  11          3HD1      LEU  11  -4.390  23.986  19.596
   88   1HD2  LEU  11          1HD2      LEU  11  -5.355  28.040  19.259
   89   2HD2  LEU  11          2HD2      LEU  11  -3.742  27.464  19.678
   90   3HD2  LEU  11          3HD2      LEU  11  -4.432  27.082  18.101
   91    H    ASP  12           H        ASP  12  -9.437  27.163  19.036
   92    HA   ASP  12           HA       ASP  12  -8.842  29.357  17.189
   93   1HB   ASP  12          1HB       ASP  12 -10.081  27.308  16.569
   94   2HB   ASP  12          2HB       ASP  12 -11.342  27.720  17.732
   95    H    ASP  13           H        ASP  13 -11.286  28.801  19.756
   96    HA   ASP  13           HA       ASP  13 -12.633  31.248  19.710
   97   1HB   ASP  13          1HB       ASP  13 -13.310  29.459  21.157
   98   2HB   ASP  13          2HB       ASP  13 -11.745  29.437  21.971
   99    H    GLN  14           H        GLN  14  -9.591  30.492  21.435
  100    HA   GLN  14           HA       GLN  14  -9.258  33.319  22.227
  101   1HB   GLN  14          1HB       GLN  14  -8.308  30.680  22.984
  102   2HB   GLN  14          2HB       GLN  14  -6.959  31.803  22.811
  103   1HG   GLN  14          1HG       GLN  14  -7.493  32.748  24.781
  104   2HG   GLN  14          2HG       GLN  14  -9.082  33.175  24.147
  105   2HE2  GLN  14          2HE2      GLN  14  -8.499  32.239  26.898
  106   1HE2  GLN  14          1HE2      GLN  14  -9.370  30.798  27.109
  107    H    GLY  15           H        GLY  15  -8.359  31.259  19.618
  108   1HA   GLY  15          2HA       GLY  15  -7.011  33.369  18.208
  109   2HA   GLY  15          1HA       GLY  15  -7.044  31.675  17.717
  110    H    TRP  16           H        TRP  16  -5.849  30.576  20.069
  111    HA   TRP  16           HA       TRP  16  -3.265  31.920  20.488
  112   1HB   TRP  16          1HB       TRP  16  -4.902  29.785  21.642
  113   2HB   TRP  16          2HB       TRP  16  -3.189  29.368  21.596
  114    HD1  TRP  16           HD1      TRP  16  -1.961  32.236  22.034
  115    HE1  TRP  16           HE1      TRP  16  -2.154  33.376  24.339
  116    HE3  TRP  16           HE3      TRP  16  -5.931  29.666  23.960
  117    HZ2  TRP  16           HZ2      TRP  16  -3.779  33.220  26.688
  118    HZ3  TRP  16           HZ3      TRP  16  -6.781  30.181  26.231
  119    HH2  TRP  16           HH2      TRP  16  -5.710  31.954  27.596
  120    H    ASP  17           H        ASP  17  -1.430  29.925  20.529
  121    HA   ASP  17           HA       ASP  17  -1.252  29.134  17.655
  122   1HB   ASP  17          1HB       ASP  17   0.644  29.769  19.889
  123   2HB   ASP  17          2HB       ASP  17   1.207  28.729  18.579
  124    H    MET  18           H        MET  18   0.230  27.013  17.494
  125    HA   MET  18           HA       MET  18  -1.309  24.860  18.743
  126   1HB   MET  18          2HB       MET  18   1.196  24.795  17.032
  127   2HB   MET  18          1HB       MET  18   0.053  23.474  17.273
  128   1HG   MET  18          1HG       MET  18  -1.720  25.149  16.361
  129   2HG   MET  18          2HG       MET  18  -0.330  26.043  15.745
  130   1HE   MET  18          1HE       MET  18   0.842  25.804  14.183
  131   2HE   MET  18          2HE       MET  18   1.556  24.297  13.615
  132   3HE   MET  18          3HE       MET  18   0.254  25.047  12.696
  133    H    ASP  19           H        ASP  19   2.177  25.747  18.759
  134    HA   ASP  19           HA       ASP  19   2.351  24.510  21.487
  135   1HB   ASP  19          1HB       ASP  19   3.232  23.201  19.416
  136   2HB   ASP  19          2HB       ASP  19   4.544  24.380  19.421
  137    H    ASP  20           H        ASP  20   2.731  27.307  19.685
  138    HA   ASP  20           HA       ASP  20   5.188  28.331  20.876
  139   1HB   ASP  20          1HB       ASP  20   3.473  28.957  18.772
  140   2HB   ASP  20          2HB       ASP  20   3.234  30.282  19.910
  141    H    ASP  21           H        ASP  21   1.709  29.050  21.372
  142    HA   ASP  21           HA       ASP  21   2.184  30.749  23.676
  143   1HB   ASP  21          1HB       ASP  21   0.229  30.828  22.106
  144   2HB   ASP  21          2HB       ASP  21  -0.313  29.285  22.766
  145    H    ASP  22           H        ASP  22   2.498  27.446  23.304
  146    HA   ASP  22           HA       ASP  22   2.509  25.635  24.821
  147   1HB   ASP  22          1HB       ASP  22   3.320  28.128  26.235
  148   2HB   ASP  22          2HB       ASP  22   2.992  26.720  27.246
  149    H    LEU  23           H        LEU  23  -0.084  26.313  24.186
  150    HA   LEU  23           HA       LEU  23  -1.860  27.104  26.218
  151   1HB   LEU  23          1HB       LEU  23  -2.022  25.056  23.995
  152   2HB   LEU  23          2HB       LEU  23  -3.423  25.486  24.975
  153    HG   LEU  23           HG       LEU  23  -1.740  27.485  23.436
  154   1HD1  LEU  23          1HD1      LEU  23  -3.504  25.619  22.377
  155   2HD1  LEU  23          2HD1      LEU  23  -4.507  27.055  22.579
  156   3HD1  LEU  23          3HD1      LEU  23  -3.036  27.138  21.611
  157   1HD2  LEU  23          1HD2      LEU  23  -3.859  27.672  25.434
  158   2HD2  LEU  23          2HD2      LEU  23  -2.816  28.940  24.790
  159   3HD2  LEU  23          3HD2      LEU  23  -4.293  28.496  23.936
  160    H    PHE  24           H        PHE  24  -0.374  23.923  25.647
  161    HA   PHE  24           HA       PHE  24  -1.780  22.405  27.587
  162   1HB   PHE  24          1HB       PHE  24   0.990  22.330  26.388
  163   2HB   PHE  24          2HB       PHE  24   0.470  21.109  27.549
  164    HD1  PHE  24           HD1      PHE  24  -2.029  20.184  27.040
  165    HD2  PHE  24           HD2      PHE  24   0.678  21.832  24.140
  166    HE1  PHE  24           HE1      PHE  24  -3.231  18.981  25.236
  167    HE2  PHE  24           HE2      PHE  24  -0.525  20.629  22.335
  168    HZ   PHE  24           HZ       PHE  24  -2.479  19.205  22.883
  169    H    GLU  25           H        GLU  25   0.492  24.967  27.994
  170    HA   GLU  25           HA       GLU  25   0.931  24.195  30.860
  171   1HB   GLU  25          1HB       GLU  25   2.472  25.835  28.837
  172   2HB   GLU  25          2HB       GLU  25   2.846  25.895  30.561
  173   1HG   GLU  25          1HG       GLU  25   2.601  23.154  29.892
  174   2HG   GLU  25          2HG       GLU  25   3.584  23.889  28.624
  175    H    LYS  26           H        LYS  26   0.061  26.878  28.683
  176    HA   LYS  26           HA       LYS  26  -0.397  28.786  30.831
  177   1HB   LYS  26          1HB       LYS  26  -0.086  28.804  28.078
  178   2HB   LYS  26          2HB       LYS  26  -1.794  29.192  28.279
  179   1HG   LYS  26          2HG       LYS  26  -1.175  31.305  28.766
  180   2HG   LYS  26          1HG       LYS  26  -0.452  30.687  30.251
  181   1HD   LYS  26          1HD       LYS  26   1.611  30.130  28.838
  182   2HD   LYS  26          2HD       LYS  26   0.880  31.112  27.568
  183   1HE   LYS  26          1HE       LYS  26   1.721  32.010  30.343
  184   2HE   LYS  26          2HE       LYS  26   2.306  32.612  28.779
  185   1HZ   LYS  26          1HZ       LYS  26  -0.158  33.093  28.336
  186   2HZ   LYS  26          2HZ       LYS  26  -0.361  32.954  30.016
  187   3HZ   LYS  26          3HZ       LYS  26   0.671  34.144  29.381
  188    H    ALA  27           H        ALA  27  -2.342  26.395  29.134
  189    HA   ALA  27           HA       ALA  27  -4.946  27.351  29.862
  190   1HB   ALA  27          1HB       ALA  27  -4.469  25.667  28.125
  191   2HB   ALA  27          2HB       ALA  27  -3.874  24.554  29.357
  192   3HB   ALA  27          3HB       ALA  27  -5.579  25.006  29.326
  193    H    ALA  28           H        ALA  28  -2.425  26.039  31.765
  194    HA   ALA  28           HA       ALA  28  -4.143  24.803  33.802
  195   1HB   ALA  28          1HB       ALA  28  -1.214  25.581  33.908
  196   2HB   ALA  28          3HB       ALA  28  -1.796  24.106  33.137
  197   3HB   ALA  28          2HB       ALA  28  -2.022  24.344  34.870
  198    H    ASP  29           H        ASP  29  -2.933  27.968  33.094
  199    HA   ASP  29           HA       ASP  29  -3.221  28.921  35.886
  200   1HB   ASP  29          1HB       ASP  29  -2.341  30.095  33.241
  201   2HB   ASP  29          2HB       ASP  29  -2.544  31.099  34.678
  202    H    ALA  30           H        ALA  30  -5.175  28.521  33.119
  203    HA   ALA  30           HA       ALA  30  -6.961  30.804  33.746
  204   1HB   ALA  30          1HB       ALA  30  -8.009  29.107  31.729
  205   2HB   ALA  30          3HB       ALA  30  -6.262  29.149  31.490
  206   3HB   ALA  30          2HB       ALA  30  -7.186  30.651  31.504
  207    H    GLY  31           H        GLY  31  -6.894  27.270  33.902
  208   1HA   GLY  31          2HA       GLY  31  -9.063  27.297  35.870
  209   2HA   GLY  31          1HA       GLY  31  -8.180  25.873  35.322
  210    H    LEU  32           H        LEU  32  -8.601  25.625  32.727
  211    HA   LEU  32           HA       LEU  32 -11.355  26.240  31.926
  212   1HB   LEU  32          1HB       LEU  32  -8.876  25.052  30.798
  213   2HB   LEU  32          2HB       LEU  32 -10.387  24.495  30.080
  214    HG   LEU  32           HG       LEU  32 -10.005  27.435  30.524
  215   1HD1  LEU  32          1HD1      LEU  32  -8.460  25.714  28.662
  216   2HD1  LEU  32          2HD1      LEU  32  -9.164  27.170  27.960
  217   3HD1  LEU  32          3HD1      LEU  32  -8.058  27.297  29.328
  218   1HD2  LEU  32          1HD2      LEU  32 -11.434  25.676  28.515
  219   2HD2  LEU  32          2HD2      LEU  32 -12.160  26.730  29.729
  220   3HD2  LEU  32          3HD2      LEU  32 -11.316  27.427  28.346
  221    H    ASP  33           H        ASP  33 -12.614  24.235  30.957
  222    HA   ASP  33           HA       ASP  33 -13.146  22.402  33.155
  223   1HB   ASP  33          1HB       ASP  33 -14.524  23.461  31.034
  224   2HB   ASP  33          2HB       ASP  33 -14.211  21.824  30.456
  225    H    GLY  34           H        GLY  34 -12.329  20.351  33.419
  226   1HA   GLY  34          2HA       GLY  34 -11.138  18.379  32.976
  227   2HA   GLY  34          1HA       GLY  34 -10.073  19.408  32.020
  228    H    GLU  35           H        GLU  35 -13.444  19.235  31.169
  229    HA   GLU  35           HA       GLU  35 -13.292  17.018  29.331
  230   1HB   GLU  35          1HB       GLU  35 -15.303  18.236  30.437
  231   2HB   GLU  35          2HB       GLU  35 -15.145  19.391  29.114
  232   1HG   GLU  35          1HG       GLU  35 -15.894  17.899  27.548
  233   2HG   GLU  35          2HG       GLU  35 -15.109  16.529  28.334
  234    H    ASP  36           H        ASP  36 -11.902  20.107  29.191
  235    HA   ASP  36           HA       ASP  36 -11.807  20.011  26.189
  236   1HB   ASP  36          1HB       ASP  36 -12.140  22.154  28.229
  237   2HB   ASP  36          2HB       ASP  36 -11.166  22.561  26.817
  238    H    TYR  37           H        TYR  37  -9.918  20.851  29.118
  239    HA   TYR  37           HA       TYR  37  -7.441  20.163  27.575
  240   1HB   TYR  37          1HB       TYR  37  -7.425  22.511  27.598
  241   2HB   TYR  37          2HB       TYR  37  -8.183  22.594  29.187
  242    HD1  TYR  37           HD1      TYR  37  -5.077  21.173  27.611
  243    HD2  TYR  37           HD2      TYR  37  -6.827  23.183  30.979
  244    HE1  TYR  37           HE1      TYR  37  -2.843  21.336  28.674
  245    HE2  TYR  37           HE2      TYR  37  -4.593  23.347  32.042
  246    HH   TYR  37           HH       TYR  37  -1.971  23.312  30.819
  247    H    GLY  38           H        GLY  38  -5.904  19.007  28.766
  248   1HA   GLY  38          2HA       GLY  38  -6.776  17.737  31.220
  249   2HA   GLY  38          1HA       GLY  38  -5.516  18.932  31.523
  250    H    THR  39           H        THR  39  -4.215  17.023  32.199
  251    HA   THR  39           HA       THR  39  -2.644  15.998  29.918
  252    HB   THR  39           HB       THR  39  -2.286  15.442  32.870
  253    HG1  THR  39           HG1      THR  39  -1.942  17.478  33.126
  254   1HG2  THR  39          1HG2      THR  39  -0.694  15.184  30.396
  255   2HG2  THR  39          2HG2      THR  39   0.171  15.877  31.767
  256   3HG2  THR  39          3HG2      THR  39  -0.577  14.286  31.910
  257    H    MET  40           H        MET  40  -3.320  14.113  28.962
  258    HA   MET  40           HA       MET  40  -5.086  12.241  30.360
  259   1HB   MET  40          1HB       MET  40  -4.185  12.869  27.673
  260   2HB   MET  40          2HB       MET  40  -4.135  11.128  27.956
  261   1HG   MET  40          1HG       MET  40  -6.425  10.992  28.373
  262   2HG   MET  40          2HG       MET  40  -6.546  12.693  28.824
  263   1HE   MET  40          1HE       MET  40  -6.522  10.019  26.604
  264   2HE   MET  40          2HE       MET  40  -7.451  10.561  25.208
  265   3HE   MET  40          3HE       MET  40  -5.682  10.584  25.163
  266    H    GLU  41           H        GLU  41  -3.301  11.905  32.099
  267    HA   GLU  41           HA       GLU  41  -0.920  10.402  31.405
  268   1HB   GLU  41          1HB       GLU  41  -1.484  11.885  33.452
  269   2HB   GLU  41          2HB       GLU  41  -2.327  10.468  34.079
  270   1HG   GLU  41          1HG       GLU  41  -0.250   9.143  33.866
  271   2HG   GLU  41          2HG       GLU  41   0.591  10.565  33.250
  272    H    VAL  42           H        VAL  42  -1.032   8.321  30.653
  273    HA   VAL  42           HA       VAL  42  -2.958   6.449  31.983
  274    HB   VAL  42           HB       VAL  42  -3.578   5.591  29.827
  275   1HG1  VAL  42          1HG1      VAL  42  -3.355   8.614  29.674
  276   2HG1  VAL  42          2HG1      VAL  42  -4.416   7.622  28.672
  277   3HG1  VAL  42          3HG1      VAL  42  -4.676   7.708  30.414
  278   1HG2  VAL  42          1HG2      VAL  42  -1.240   5.693  28.903
  279   2HG2  VAL  42          2HG2      VAL  42  -2.474   6.241  27.767
  280   3HG2  VAL  42          3HG2      VAL  42  -1.478   7.418  28.623
  281    H    ALA  43           H        ALA  43  -2.240   4.166  31.829
  282    HA   ALA  43           HA       ALA  43   0.653   3.902  32.167
  283   1HB   ALA  43          1HB       ALA  43  -1.829   2.336  32.539
  284   2HB   ALA  43          3HB       ALA  43  -0.398   1.374  32.168
  285   3HB   ALA  43          2HB       ALA  43  -0.404   2.441  33.572
  286    H    GLU  44           H        GLU  44   2.098   3.158  30.631
  287    HA   GLU  44           HA       GLU  44   1.691   3.162  27.895
  288   1HB   GLU  44          1HB       GLU  44   3.692   2.457  29.689
  289   2HB   GLU  44          2HB       GLU  44   3.425   0.969  28.784
  290   1HG   GLU  44          1HG       GLU  44   3.539   3.476  27.190
  291   2HG   GLU  44          2HG       GLU  44   5.057   2.939  27.909
  292    H    GLY  45           H        GLY  45   0.118   2.101  26.768
  293   1HA   GLY  45          2HA       GLY  45  -0.348  -0.782  27.413
  294   2HA   GLY  45          1HA       GLY  45  -0.501  -0.103  25.792
  295    H    GLU  46           H        GLU  46  -1.702   2.282  27.610
  296    HA   GLU  46           HA       GLU  46  -4.392   1.116  28.087
  297   1HB   GLU  46          1HB       GLU  46  -2.777   2.945  29.388
  298   2HB   GLU  46          2HB       GLU  46  -3.932   3.984  28.554
  299   1HG   GLU  46          2HG       GLU  46  -4.922   3.471  30.670
  300   2HG   GLU  46          1HG       GLU  46  -5.763   2.467  29.487
  301    H    TYR  47           H        TYR  47  -6.062   1.462  26.659
  302    HA   TYR  47           HA       TYR  47  -5.655   2.696  24.100
  303   1HB   TYR  47          1HB       TYR  47  -7.929   1.622  25.732
  304   2HB   TYR  47          2HB       TYR  47  -8.317   2.562  24.292
  305    HD1  TYR  47           HD1      TYR  47  -5.215   0.594  24.560
  306    HD2  TYR  47           HD2      TYR  47  -9.244   0.659  23.069
  307    HE1  TYR  47           HE1      TYR  47  -4.721  -1.377  23.137
  308    HE2  TYR  47           HE2      TYR  47  -8.749  -1.311  21.646
  309    HH   TYR  47           HH       TYR  47  -7.091  -3.235  21.687
  310    H    ILE  48           H        ILE  48  -5.474   4.870  23.758
  311    HA   ILE  48           HA       ILE  48  -5.784   6.975  25.503
  312    HB   ILE  48           HB       ILE  48  -6.472   6.797  22.555
  313   1HG1  ILE  48          1HG1      ILE  48  -4.180   6.107  23.151
  314   2HG1  ILE  48          2HG1      ILE  48  -4.165   7.636  22.272
  315   1HG2  ILE  48          1HG2      ILE  48  -6.935   8.940  24.326
  316   2HG2  ILE  48          2HG2      ILE  48  -5.464   9.359  23.448
  317   3HG2  ILE  48          3HG2      ILE  48  -6.947   8.999  22.563
  318   1HD1  ILE  48          1HD1      ILE  48  -4.374   8.584  24.790
  319   2HD1  ILE  48          2HD1      ILE  48  -3.515   7.079  25.122
  320   3HD1  ILE  48          3HD1      ILE  48  -2.819   8.268  24.021
  321    H    LEU  49           H        LEU  49  -8.337   6.630  23.043
  322    HA   LEU  49           HA       LEU  49 -10.366   8.041  24.256
  323   1HB   LEU  49          1HB       LEU  49 -10.654   7.105  22.079
  324   2HB   LEU  49          2HB       LEU  49 -10.398   5.463  22.674
  325    HG   LEU  49           HG       LEU  49 -12.576   6.756  24.096
  326   1HD1  LEU  49          1HD1      LEU  49 -12.744   7.979  21.905
  327   2HD1  LEU  49          2HD1      LEU  49 -12.934   6.420  21.103
  328   3HD1  LEU  49          3HD1      LEU  49 -14.147   6.971  22.258
  329   1HD2  LEU  49          1HD2      LEU  49 -11.789   4.210  23.269
  330   2HD2  LEU  49          2HD2      LEU  49 -13.301   4.617  24.083
  331   3HD2  LEU  49          3HD2      LEU  49 -13.241   4.537  22.323
  332    H    GLU  50           H        GLU  50  -9.350   4.739  25.071
  333    HA   GLU  50           HA       GLU  50 -11.526   4.159  26.875
  334   1HB   GLU  50          1HB       GLU  50  -9.654   2.702  25.694
  335   2HB   GLU  50          2HB       GLU  50  -8.755   3.041  27.173
  336   1HG   GLU  50          1HG       GLU  50  -9.961   1.510  28.300
  337   2HG   GLU  50          2HG       GLU  50 -11.463   2.309  27.838
  338    H    ALA  51           H        ALA  51  -8.155   5.249  27.446
  339    HA   ALA  51           HA       ALA  51  -8.513   5.606  30.295
  340   1HB   ALA  51          1HB       ALA  51  -6.481   7.173  28.794
  341   2HB   ALA  51          2HB       ALA  51  -6.272   6.115  30.190
  342   3HB   ALA  51          3HB       ALA  51  -6.426   5.424  28.574
  343    H    ALA  52           H        ALA  52  -8.851   7.694  27.472
  344    HA   ALA  52           HA       ALA  52  -9.213  10.145  29.020
  345   1HB   ALA  52          1HB       ALA  52  -9.026   9.239  26.247
  346   2HB   ALA  52          3HB       ALA  52 -10.253  10.490  26.453
  347   3HB   ALA  52          2HB       ALA  52  -8.587  10.801  26.943
  348    H    GLU  53           H        GLU  53 -11.269   7.612  27.721
  349    HA   GLU  53           HA       GLU  53 -13.777   9.036  27.930
  350   1HB   GLU  53          1HB       GLU  53 -13.527   7.082  26.520
  351   2HB   GLU  53          2HB       GLU  53 -12.988   6.109  27.888
  352   1HG   GLU  53          1HG       GLU  53 -15.379   6.995  28.834
  353   2HG   GLU  53          2HG       GLU  53 -15.730   6.923  27.108
  354    H    ALA  54           H        ALA  54 -11.877   7.016  30.116
  355    HA   ALA  54           HA       ALA  54 -13.885   6.827  32.197
  356   1HB   ALA  54          1HB       ALA  54 -10.895   6.438  31.991
  357   2HB   ALA  54          3HB       ALA  54 -11.743   6.221  33.521
  358   3HB   ALA  54          2HB       ALA  54 -12.147   5.206  32.136
  359    H    GLN  55           H        GLN  55 -11.954   9.403  31.094
  360    HA   GLN  55           HA       GLN  55 -11.893  10.750  33.754
  361   1HB   GLN  55          1HB       GLN  55 -10.749  11.608  31.079
  362   2HB   GLN  55          2HB       GLN  55 -10.308  12.227  32.670
  363   1HG   GLN  55          1HG       GLN  55 -10.008   9.300  31.996
  364   2HG   GLN  55          2HG       GLN  55  -8.746  10.464  31.595
  365   2HE2  GLN  55          2HE2      GLN  55  -7.778  11.692  33.448
  366   1HE2  GLN  55          1HE2      GLN  55  -7.816  11.020  35.007
  367    H    GLY  56           H        GLY  56 -13.367  10.947  30.554
  368   1HA   GLY  56          2HA       GLY  56 -14.939  13.309  31.505
  369   2HA   GLY  56          1HA       GLY  56 -15.666  11.999  30.575
  370    H    TYR  57           H        TYR  57 -13.237  11.767  28.852
  371    HA   TYR  57           HA       TYR  57 -13.293  14.369  27.393
  372   1HB   TYR  57          1HB       TYR  57 -11.560  11.896  27.059
  373   2HB   TYR  57          2HB       TYR  57 -11.276  13.474  26.321
  374    HD1  TYR  57           HD1      TYR  57 -12.351  14.938  28.942
  375    HD2  TYR  57           HD2      TYR  57  -9.352  11.968  28.170
  376    HE1  TYR  57           HE1      TYR  57 -11.121  15.651  30.974
  377    HE2  TYR  57           HE2      TYR  57  -8.123  12.674  30.194
  378    HH   TYR  57           HH       TYR  57  -7.930  14.379  31.728
  379    H    ASP  58           H        ASP  58 -15.145  14.321  26.102
  380    HA   ASP  58           HA       ASP  58 -15.973  11.884  24.688
  381   1HB   ASP  58          1HB       ASP  58 -17.453  13.700  25.685
  382   2HB   ASP  58          2HB       ASP  58 -16.921  14.745  24.369
  383    H    TRP  59           H        TRP  59 -16.092  11.771  22.328
  384    HA   TRP  59           HA       TRP  59 -14.298  13.664  20.867
  385   1HB   TRP  59          1HB       TRP  59 -14.225  10.628  20.794
  386   2HB   TRP  59          2HB       TRP  59 -13.213  11.696  19.820
  387    HD1  TRP  59           HD1      TRP  59 -13.937  10.888  23.520
  388    HE1  TRP  59           HE1      TRP  59 -11.819  11.400  24.893
  389    HE3  TRP  59           HE3      TRP  59 -10.956  12.842  19.859
  390    HZ2  TRP  59           HZ2      TRP  59  -9.207  12.483  24.498
  391    HZ3  TRP  59           HZ3      TRP  59  -8.658  13.605  20.390
  392    HH2  TRP  59           HH2      TRP  59  -7.782  13.427  22.703
  393    HA   PRO  60           HA       PRO  60 -17.503  13.413  17.887
  394   1HB   PRO  60          1HB       PRO  60 -16.144  14.334  15.702
  395   2HB   PRO  60          2HB       PRO  60 -16.640  15.376  17.047
  396   1HG   PRO  60          1HG       PRO  60 -13.972  14.303  16.369
  397   2HG   PRO  60          2HG       PRO  60 -14.410  15.796  17.206
  398   1HD   PRO  60          1HD       PRO  60 -13.484  13.437  18.396
  399   2HD   PRO  60          2HD       PRO  60 -14.229  14.815  19.229
  400    H    PHE  61           H        PHE  61 -17.910  12.502  15.591
  401    HA   PHE  61           HA       PHE  61 -18.028  10.521  14.296
  402   1HB   PHE  61          1HB       PHE  61 -15.553  11.851  14.115
  403   2HB   PHE  61          2HB       PHE  61 -15.150  10.138  14.219
  404    HD1  PHE  61           HD1      PHE  61 -16.822   8.575  12.774
  405    HD2  PHE  61           HD2      PHE  61 -15.953  12.708  11.989
  406    HE1  PHE  61           HE1      PHE  61 -17.504   8.269  10.410
  407    HE2  PHE  61           HE2      PHE  61 -16.635  12.401   9.623
  408    HZ   PHE  61           HZ       PHE  61 -17.410  10.182   8.834
  409    H    SER  62           H        SER  62 -18.757   9.500  16.506
  410    HA   SER  62           HA       SER  62 -16.869   7.844  17.955
  411   1HB   SER  62          2HB       SER  62 -19.887   7.626  17.722
  412   2HB   SER  62          1HB       SER  62 -18.885   7.059  19.059
  413    HG   SER  62           HG       SER  62 -19.726   9.031  19.630
  414    H    CYS  63           H        CYS  63 -18.495   7.516  14.949
  415    HA   CYS  63           HA       CYS  63 -18.989   5.616  13.590
  416   1HB   CYS  63          2HB       CYS  63 -16.867   4.662  12.928
  417   2HB   CYS  63          1HB       CYS  63 -16.589   6.353  13.342
  418    H    ARG  64           H        ARG  64 -17.465   3.067  13.910
  419    HA   ARG  64           HA       ARG  64 -18.244   1.917  16.482
  420   1HB   ARG  64          1HB       ARG  64 -20.364   2.309  15.038
  421   2HB   ARG  64          2HB       ARG  64 -19.764   0.980  14.045
  422   1HG   ARG  64          1HG       ARG  64 -20.161  -0.591  15.670
  423   2HG   ARG  64          2HG       ARG  64 -19.801   0.528  16.985
  424   1HD   ARG  64          1HD       ARG  64 -22.162   1.400  15.531
  425   2HD   ARG  64          2HD       ARG  64 -22.361  -0.258  16.126
  426    HE   ARG  64           HE       ARG  64 -21.164   1.131  18.238
  427   1HH1  ARG  64          1HH1      ARG  64 -24.184   0.591  16.801
  428   2HH1  ARG  64          2HH1      ARG  64 -25.049   1.683  17.831
  429   1HH2  ARG  64          1HH2      ARG  64 -22.197   2.907  19.376
  430   2HH2  ARG  64          2HH2      ARG  64 -23.925   2.993  19.288
  431    H    ALA  65           H        ALA  65 -15.768   1.845  15.296
  432    HA   ALA  65           HA       ALA  65 -14.080   0.354  14.576
  433   1HB   ALA  65          1HB       ALA  65 -16.268  -1.442  15.650
  434   2HB   ALA  65          3HB       ALA  65 -14.699  -2.070  15.145
  435   3HB   ALA  65          2HB       ALA  65 -14.800  -0.916  16.474
  436    H    GLY  66           H        GLY  66 -15.460   1.352  12.432
  437   1HA   GLY  66          2HA       GLY  66 -16.949   0.005  10.658
  438   2HA   GLY  66          1HA       GLY  66 -15.477  -0.964  10.589
  439    H    ALA  67           H        ALA  67 -17.022   1.475   9.036
  440    HA   ALA  67           HA       ALA  67 -14.799   2.201   7.392
  441   1HB   ALA  67          1HB       ALA  67 -17.631   2.772   7.717
  442   2HB   ALA  67          3HB       ALA  67 -16.660   2.789   6.244
  443   3HB   ALA  67          2HB       ALA  67 -16.747   4.229   7.260
  444    H    CYS  68           H        CYS  68 -13.174   2.828   9.077
  445    HA   CYS  68           HA       CYS  68 -13.378   5.726   9.689
  446   1HB   CYS  68          1HB       CYS  68 -14.241   3.942  11.524
  447   2HB   CYS  68          2HB       CYS  68 -12.524   3.956  11.927
  448    H    ALA  69           H        ALA  69 -11.492   6.416   8.745
  449    HA   ALA  69           HA       ALA  69  -9.030   4.745   9.033
  450   1HB   ALA  69          1HB       ALA  69  -9.674   5.356   6.767
  451   2HB   ALA  69          3HB       ALA  69  -9.832   7.051   7.227
  452   3HB   ALA  69          2HB       ALA  69  -8.242   6.291   7.195
  453    H    ASN  70           H        ASN  70 -10.530   7.717  10.026
  454    HA   ASN  70           HA       ASN  70  -8.105   8.399  11.628
  455   1HB   ASN  70          1HB       ASN  70  -8.294  10.726  10.875
  456   2HB   ASN  70          2HB       ASN  70  -8.140   9.669   9.472
  457   2HD2  ASN  70          2HD2      ASN  70 -10.389   8.926   8.546
  458   1HD2  ASN  70          1HD2      ASN  70 -11.611  10.104   8.512
  459    H    CYS  71           H        CYS  71  -8.716   8.861  13.724
  460    HA   CYS  71           HA       CYS  71 -11.527   8.824  14.471
  461   1HB   CYS  71          1HB       CYS  71  -8.924   9.346  15.930
  462   2HB   CYS  71          2HB       CYS  71 -10.484   9.261  16.746
  463    H    ALA  72           H        ALA  72  -9.552  11.212  16.067
  464    HA   ALA  72           HA       ALA  72 -10.344  13.536  14.578
  465   1HB   ALA  72          1HB       ALA  72 -12.211  12.365  16.590
  466   2HB   ALA  72          3HB       ALA  72 -12.062  14.122  16.564
  467   3HB   ALA  72          2HB       ALA  72 -12.573  13.258  15.114
  468    H    SER  73           H        SER  73  -8.053  12.536  16.111
  469    HA   SER  73           HA       SER  73  -7.891  14.622  18.263
  470   1HB   SER  73          1HB       SER  73  -6.371  12.015  17.916
  471   2HB   SER  73          2HB       SER  73  -6.277  13.091  19.308
  472    HG   SER  73           HG       SER  73  -8.743  12.051  18.447
  473    H    ILE  74           H        ILE  74  -6.515  16.287  17.756
  474    HA   ILE  74           HA       ILE  74  -4.660  16.005  15.469
  475    HB   ILE  74           HB       ILE  74  -5.403  18.338  17.264
  476   1HG1  ILE  74          2HG1      ILE  74  -7.363  17.582  16.091
  477   2HG1  ILE  74          1HG1      ILE  74  -6.762  18.994  15.222
  478   1HG2  ILE  74          1HG2      ILE  74  -3.207  18.511  16.024
  479   2HG2  ILE  74          2HG2      ILE  74  -4.115  18.352  14.521
  480   3HG2  ILE  74          3HG2      ILE  74  -4.392  19.739  15.575
  481   1HD1  ILE  74          1HD1      ILE  74  -5.380  17.109  13.911
  482   2HD1  ILE  74          2HD1      ILE  74  -6.750  16.119  14.416
  483   3HD1  ILE  74          3HD1      ILE  74  -7.017  17.559  13.434
  484    H    VAL  75           H        VAL  75  -3.013  14.649  16.397
  485    HA   VAL  75           HA       VAL  75  -1.768  14.983  18.921
  486    HB   VAL  75           HB       VAL  75  -1.571  13.090  17.260
  487   1HG1  VAL  75          1HG1      VAL  75  -1.072  14.793  15.366
  488   2HG1  VAL  75          2HG1      VAL  75   0.586  14.749  15.962
  489   3HG1  VAL  75          3HG1      VAL  75  -0.175  13.274  15.366
  490   1HG2  VAL  75          1HG2      VAL  75  -0.026  13.383  19.217
  491   2HG2  VAL  75          2HG2      VAL  75   0.722  12.549  17.856
  492   3HG2  VAL  75          3HG2      VAL  75   1.084  14.248  18.154
  493    H    LYS  76           H        LYS  76  -0.602  16.700  19.684
  494    HA   LYS  76           HA       LYS  76   0.474  18.715  17.796
  495   1HB   LYS  76          1HB       LYS  76  -0.616  18.617  20.435
  496   2HB   LYS  76          2HB       LYS  76   1.032  19.230  20.565
  497   1HG   LYS  76          2HG       LYS  76  -0.344  21.146  20.181
  498   2HG   LYS  76          1HG       LYS  76   0.447  20.809  18.641
  499   1HD   LYS  76          1HD       LYS  76  -1.833  19.241  18.521
  500   2HD   LYS  76          2HD       LYS  76  -2.399  20.697  19.341
  501   1HE   LYS  76          1HE       LYS  76  -0.629  21.169  17.003
  502   2HE   LYS  76          2HE       LYS  76  -2.233  20.507  16.634
  503   1HZ   LYS  76          1HZ       LYS  76  -3.167  22.212  18.149
  504   2HZ   LYS  76          2HZ       LYS  76  -1.621  22.901  18.292
  505   3HZ   LYS  76          3HZ       LYS  76  -2.408  22.884  16.787
  506    H    GLU  77           H        GLU  77   1.549  15.945  19.474
  507    HA   GLU  77           HA       GLU  77   4.241  16.106  18.535
  508   1HB   GLU  77          1HB       GLU  77   4.567  17.938  20.015
  509   2HB   GLU  77          2HB       GLU  77   3.626  17.172  21.297
  510   1HG   GLU  77          1HG       GLU  77   5.347  15.532  21.683
  511   2HG   GLU  77          2HG       GLU  77   6.229  16.034  20.241
  512    H    GLY  78           H        GLY  78   5.542  14.282  19.377
  513   1HA   GLY  78          2HA       GLY  78   4.240  12.419  21.244
  514   2HA   GLY  78          1HA       GLY  78   5.831  12.209  20.513
  515    H    GLU  79           H        GLU  79   4.000  10.083  20.584
  516    HA   GLU  79           HA       GLU  79   2.587   9.928  18.011
  517   1HB   GLU  79          1HB       GLU  79   4.910   9.670  17.317
  518   2HB   GLU  79          2HB       GLU  79   5.178   8.444  18.556
  519   1HG   GLU  79          1HG       GLU  79   4.110   6.812  17.360
  520   2HG   GLU  79          2HG       GLU  79   2.920   7.933  16.698
  521    H    ILE  80           H        ILE  80   1.308   7.986  17.871
  522    HA   ILE  80           HA       ILE  80   1.167   6.417  20.426
  523    HB   ILE  80           HB       ILE  80  -0.937   7.353  18.453
  524   1HG1  ILE  80          1HG1      ILE  80  -0.651   7.838  21.431
  525   2HG1  ILE  80          2HG1      ILE  80  -0.067   8.955  20.197
  526   1HG2  ILE  80          1HG2      ILE  80  -1.049   4.934  19.692
  527   2HG2  ILE  80          2HG2      ILE  80  -1.750   5.961  20.941
  528   3HG2  ILE  80          3HG2      ILE  80  -2.474   5.907  19.335
  529   1HD1  ILE  80          1HD1      ILE  80  -2.906   8.005  20.048
  530   2HD1  ILE  80          2HD1      ILE  80  -2.490   9.243  21.232
  531   3HD1  ILE  80          3HD1      ILE  80  -2.211   9.536  19.515
  532    H    ASP  81           H        ASP  81   1.424   4.216  20.197
  533    HA   ASP  81           HA       ASP  81   1.979   3.099  17.544
  534   1HB   ASP  81          1HB       ASP  81   3.283   2.480  19.515
  535   2HB   ASP  81          2HB       ASP  81   1.824   1.934  20.342
  536    H    MET  82           H        MET  82   0.682   1.592  16.437
  537    HA   MET  82           HA       MET  82  -2.089   1.211  17.527
  538   1HB   MET  82          1HB       MET  82  -1.423   2.608  15.358
  539   2HB   MET  82          2HB       MET  82  -1.403   1.007  14.619
  540   1HG   MET  82          1HG       MET  82  -3.734   1.080  16.199
  541   2HG   MET  82          2HG       MET  82  -3.675   2.635  15.372
  542   1HE   MET  82          1HE       MET  82  -3.955   3.191  13.493
  543   2HE   MET  82          2HE       MET  82  -3.447   2.350  12.023
  544   3HE   MET  82          3HE       MET  82  -5.143   2.353  12.498
  545    H    ASP  83           H        ASP  83  -3.017  -0.765  15.928
  546    HA   ASP  83           HA       ASP  83  -1.400  -3.100  16.764
  547   1HB   ASP  83          1HB       ASP  83  -4.135  -2.418  16.486
  548   2HB   ASP  83          2HB       ASP  83  -3.824  -3.691  15.306
  549    H    MET  84           H        MET  84  -1.670  -4.988  14.967
  550    HA   MET  84           HA       MET  84   0.015  -4.264  12.758
  551   1HB   MET  84          1HB       MET  84  -0.815  -6.546  14.044
  552   2HB   MET  84          2HB       MET  84  -1.680  -6.670  12.513
  553   1HG   MET  84          2HG       MET  84   0.533  -7.740  12.348
  554   2HG   MET  84          1HG       MET  84   0.445  -6.330  11.293
  555   1HE   MET  84          1HE       MET  84   1.880  -5.066  10.941
  556   2HE   MET  84          2HE       MET  84   2.056  -3.783  12.136
  557   3HE   MET  84          3HE       MET  84   3.435  -4.805  11.744
  558    H    GLN  85           H        GLN  85  -1.037  -2.548  11.581
  559    HA   GLN  85           HA       GLN  85  -3.051  -3.481   9.649
  560   1HB   GLN  85          1HB       GLN  85  -3.802  -2.280  12.102
  561   2HB   GLN  85          2HB       GLN  85  -4.051  -1.055  10.857
  562   1HG   GLN  85          2HG       GLN  85  -5.928  -2.115  10.212
  563   2HG   GLN  85          1HG       GLN  85  -4.969  -3.538   9.803
  564   2HE2  GLN  85          2HE2      GLN  85  -6.197  -5.232  10.715
  565   1HE2  GLN  85          1HE2      GLN  85  -6.659  -5.300  12.347
  566    H    GLN  86           H        GLN  86  -3.720  -1.417   8.268
  567    HA   GLN  86           HA       GLN  86  -1.667   0.693   8.158
  568   1HB   GLN  86          1HB       GLN  86  -1.167  -1.711   6.914
  569   2HB   GLN  86          2HB       GLN  86  -1.906  -0.780   5.612
  570   1HG   GLN  86          1HG       GLN  86  -0.158   0.689   5.493
  571   2HG   GLN  86          2HG       GLN  86   0.110   0.666   7.236
  572   2HE2  GLN  86          2HE2      GLN  86   1.694  -0.101   4.481
  573   1HE2  GLN  86          1HE2      GLN  86   2.593  -1.443   5.003
  574    H    ILE  87           H        ILE  87  -3.453   2.161   8.273
  575    HA   ILE  87           HA       ILE  87  -5.191   2.199   5.825
  576    HB   ILE  87           HB       ILE  87  -5.920   2.915   8.684
  577   1HG1  ILE  87          1HG1      ILE  87  -7.403   0.717   7.570
  578   2HG1  ILE  87          2HG1      ILE  87  -5.679   0.373   7.438
  579   1HG2  ILE  87          1HG2      ILE  87  -7.129   3.499   6.145
  580   2HG2  ILE  87          2HG2      ILE  87  -8.170   2.383   7.028
  581   3HG2  ILE  87          3HG2      ILE  87  -7.707   3.921   7.756
  582   1HD1  ILE  87          1HD1      ILE  87  -7.017   1.328   9.986
  583   2HD1  ILE  87          2HD1      ILE  87  -6.707  -0.369   9.619
  584   3HD1  ILE  87          3HD1      ILE  87  -5.359   0.753   9.808
  585    H    LEU  88           H        LEU  88  -4.678   4.363   8.627
  586    HA   LEU  88           HA       LEU  88  -4.887   6.790   7.158
  587   1HB   LEU  88          1HB       LEU  88  -3.975   7.764   9.209
  588   2HB   LEU  88          2HB       LEU  88  -5.071   6.449   9.632
  589    HG   LEU  88           HG       LEU  88  -2.567   5.227   9.271
  590   1HD1  LEU  88          1HD1      LEU  88  -2.375   7.921  10.610
  591   2HD1  LEU  88          2HD1      LEU  88  -1.298   6.603  11.075
  592   3HD1  LEU  88          3HD1      LEU  88  -1.293   7.204   9.416
  593   1HD2  LEU  88          1HD2      LEU  88  -4.041   6.084  11.779
  594   2HD2  LEU  88          2HD2      LEU  88  -4.239   4.560  10.915
  595   3HD2  LEU  88          3HD2      LEU  88  -2.724   4.911  11.746
  596    H    SER  89           H        SER  89  -3.191   8.280   6.512
  597    HA   SER  89           HA       SER  89  -0.650   6.899   5.740
  598   1HB   SER  89          1HB       SER  89  -2.341   7.976   4.092
  599   2HB   SER  89          2HB       SER  89  -1.724   9.518   4.686
  600    HG   SER  89           HG       SER  89  -0.457   9.005   2.983
  601    H    ASP  90           H        ASP  90   1.319   7.776   6.413
  602    HA   ASP  90           HA       ASP  90   1.615   9.222   8.765
  603   1HB   ASP  90          1HB       ASP  90   3.252   8.046   7.005
  604   2HB   ASP  90          2HB       ASP  90   3.537   9.720   6.532
  605    H    GLU  91           H        GLU  91   1.120  10.512   5.508
  606    HA   GLU  91           HA       GLU  91   1.762  13.237   5.966
  607   1HB   GLU  91          1HB       GLU  91   1.367  12.411   3.756
  608   2HB   GLU  91          2HB       GLU  91  -0.231  11.804   4.193
  609   1HG   GLU  91          1HG       GLU  91  -1.200  13.828   3.876
  610   2HG   GLU  91          2HG       GLU  91   0.098  14.672   4.719
  611    H    GLU  92           H        GLU  92  -1.194  11.407   6.665
  612    HA   GLU  92           HA       GLU  92  -2.816  13.689   7.385
  613   1HB   GLU  92          1HB       GLU  92  -3.208  11.045   6.880
  614   2HB   GLU  92          2HB       GLU  92  -3.296  11.041   8.641
  615   1HG   GLU  92          1HG       GLU  92  -5.468  11.640   8.316
  616   2HG   GLU  92          2HG       GLU  92  -4.804  13.247   8.025
  617    H    VAL  93           H        VAL  93  -0.595  11.581   9.165
  618    HA   VAL  93           HA       VAL  93  -1.340  12.651  11.788
  619    HB   VAL  93           HB       VAL  93   1.031  11.015  10.822
  620   1HG1  VAL  93          1HG1      VAL  93   0.896  12.268  13.191
  621   2HG1  VAL  93          2HG1      VAL  93  -0.065  10.843  13.591
  622   3HG1  VAL  93          3HG1      VAL  93   1.595  10.656  13.027
  623   1HG2  VAL  93          1HG2      VAL  93  -1.299  10.083  10.388
  624   2HG2  VAL  93          2HG2      VAL  93  -0.256   9.072  11.389
  625   3HG2  VAL  93          3HG2      VAL  93  -1.519  10.049  12.137
  626    H    GLU  94           H        GLU  94   1.028  13.386   9.295
  627    HA   GLU  94           HA       GLU  94   2.553  15.187  11.089
  628   1HB   GLU  94          1HB       GLU  94   2.841  13.871   8.454
  629   2HB   GLU  94          2HB       GLU  94   3.574  15.471   8.567
  630   1HG   GLU  94          1HG       GLU  94   4.534  14.568  10.838
  631   2HG   GLU  94          2HG       GLU  94   4.203  12.985  10.136
  632    H    GLU  95           H        GLU  95   0.380  15.363   8.274
  633    HA   GLU  95           HA       GLU  95   0.550  18.324   8.252
  634   1HB   GLU  95          1HB       GLU  95   0.336  16.422   6.319
  635   2HB   GLU  95          2HB       GLU  95  -1.364  16.842   6.533
  636   1HG   GLU  95          1HG       GLU  95  -0.017  19.300   6.536
  637   2HG   GLU  95          2HG       GLU  95   0.757  18.367   5.255
  638    H    LYS  96           H        LYS  96  -1.942  15.782   8.676
  639    HA   LYS  96           HA       LYS  96  -3.894  17.808   9.600
  640   1HB   LYS  96          1HB       LYS  96  -3.865  14.928   8.786
  641   2HB   LYS  96          2HB       LYS  96  -5.186  15.481   9.815
  642   1HG   LYS  96          1HG       LYS  96  -4.541  17.267   7.549
  643   2HG   LYS  96          2HG       LYS  96  -5.179  15.689   7.088
  644   1HD   LYS  96          1HD       LYS  96  -6.881  16.286   9.100
  645   2HD   LYS  96          2HD       LYS  96  -6.502  17.918   8.546
  646   1HE   LYS  96          2HE       LYS  96  -8.407  17.184   7.255
  647   2HE   LYS  96          1HE       LYS  96  -7.007  17.069   6.172
  648   1HZ   LYS  96          1HZ       LYS  96  -6.847  14.725   7.389
  649   2HZ   LYS  96          2HZ       LYS  96  -8.528  14.946   7.484
  650   3HZ   LYS  96          3HZ       LYS  96  -7.756  14.946   5.971
  651    H    ASP  97           H        ASP  97  -1.532  15.728  10.954
  652    HA   ASP  97           HA       ASP  97  -1.004  15.219  13.203
  653   1HB   ASP  97          1HB       ASP  97  -2.533  17.728  13.112
  654   2HB   ASP  97          2HB       ASP  97  -2.609  16.921  14.678
  655    H    VAL  98           H        VAL  98  -3.617  14.158  11.785
  656    HA   VAL  98           HA       VAL  98  -5.427  13.609  14.014
  657    HB   VAL  98           HB       VAL  98  -5.132  12.533  11.189
  658   1HG1  VAL  98          1HG1      VAL  98  -6.789  11.639  13.409
  659   2HG1  VAL  98          2HG1      VAL  98  -7.773  12.195  12.056
  660   3HG1  VAL  98          3HG1      VAL  98  -6.580  10.919  11.813
  661   1HG2  VAL  98          1HG2      VAL  98  -5.754  15.017  11.749
  662   2HG2  VAL  98          2HG2      VAL  98  -6.720  14.139  10.565
  663   3HG2  VAL  98          3HG2      VAL  98  -7.312  14.335  12.214
  664    H    ARG  99           H        ARG  99  -5.762  11.469  14.954
  665    HA   ARG  99           HA       ARG  99  -3.755   9.370  14.384
  666   1HB   ARG  99          1HB       ARG  99  -2.775  11.131  15.947
  667   2HB   ARG  99          2HB       ARG  99  -3.976  10.620  17.133
  668   1HG   ARG  99          2HG       ARG  99  -1.935   9.398  17.576
  669   2HG   ARG  99          1HG       ARG  99  -3.100   8.267  16.886
  670   1HD   ARG  99          1HD       ARG  99  -1.881   9.237  14.620
  671   2HD   ARG  99          2HD       ARG  99  -0.536   9.218  15.777
  672    HE   ARG  99           HE       ARG  99  -2.052   6.802  16.060
  673   1HH1  ARG  99          1HH1      ARG  99  -0.984   8.075  13.173
  674   2HH1  ARG  99          2HH1      ARG  99   0.121   6.795  12.799
  675   1HH2  ARG  99          1HH2      ARG  99  -0.167   5.286  15.909
  676   2HH2  ARG  99          2HH2      ARG  99   0.584   5.215  14.350
  677    H    LEU 100           H        LEU 100  -4.227   7.373  15.630
  678    HA   LEU 100           HA       LEU 100  -7.115   6.953  15.955
  679   1HB   LEU 100          1HB       LEU 100  -4.802   5.469  15.297
  680   2HB   LEU 100          2HB       LEU 100  -5.399   4.779  16.806
  681    HG   LEU 100           HG       LEU 100  -6.424   3.694  14.819
  682   1HD1  LEU 100          1HD1      LEU 100  -8.101   5.301  16.734
  683   2HD1  LEU 100          2HD1      LEU 100  -8.874   4.304  15.501
  684   3HD1  LEU 100          3HD1      LEU 100  -7.818   3.560  16.702
  685   1HD2  LEU 100          1HD2      LEU 100  -6.425   6.220  13.750
  686   2HD2  LEU 100          2HD2      LEU 100  -7.367   4.870  13.116
  687   3HD2  LEU 100          3HD2      LEU 100  -8.117   6.032  14.212
  688    H    THR 101           H        THR 101  -8.162   7.117  17.907
  689    HA   THR 101           HA       THR 101  -6.501   6.973  20.404
  690    HB   THR 101           HB       THR 101  -8.440   8.564  21.197
  691    HG1  THR 101           HG1      THR 101  -9.750   9.092  19.668
  692   1HG2  THR 101          1HG2      THR 101  -5.981   9.104  20.782
  693   2HG2  THR 101          2HG2      THR 101  -6.471   9.652  19.179
  694   3HG2  THR 101          3HG2      THR 101  -7.104  10.454  20.617
  695    H    CYS 102           H        CYS 102  -9.300   5.854  18.685
  696    HA   CYS 102           HA       CYS 102 -10.873   4.926  20.914
  697   1HB   CYS 102          1HB       CYS 102 -10.638   3.983  18.037
  698   2HB   CYS 102          2HB       CYS 102 -11.964   3.582  19.129
  699    H    ILE 103           H        ILE 103  -8.405   3.352  18.867
  700    HA   ILE 103           HA       ILE 103  -8.107   1.268  20.997
  701    HB   ILE 103           HB       ILE 103  -7.862  -0.361  19.067
  702   1HG1  ILE 103          1HG1      ILE 103  -8.918   2.027  17.523
  703   2HG1  ILE 103          2HG1      ILE 103  -7.341   1.265  17.312
  704   1HG2  ILE 103          1HG2      ILE 103 -10.363   1.096  19.803
  705   2HG2  ILE 103          2HG2      ILE 103 -10.444  -0.032  18.448
  706   3HG2  ILE 103          3HG2      ILE 103  -9.942  -0.600  20.041
  707   1HD1  ILE 103          1HD1      ILE 103  -9.086  -0.871  17.096
  708   2HD1  ILE 103          2HD1      ILE 103  -9.966   0.433  16.299
  709   3HD1  ILE 103          3HD1      ILE 103  -8.354  -0.013  15.740
  710    H    GLY 104           H        GLY 104  -6.491   3.674  20.348
  711   1HA   GLY 104          2HA       GLY 104  -4.307   4.095  19.258
  712   2HA   GLY 104          1HA       GLY 104  -3.996   2.362  19.353
  713    H    SER 105           H        SER 105  -1.967   3.356  20.442
  714    HA   SER 105           HA       SER 105  -2.476   4.035  23.306
  715   1HB   SER 105          1HB       SER 105  -1.237   1.612  22.107
  716   2HB   SER 105          2HB       SER 105  -0.414   2.286  23.515
  717    HG   SER 105           HG       SER 105  -3.201   1.814  23.443
  718    HA   PRO 106           HA       PRO 106   0.804   6.857  22.408
  719   1HB   PRO 106          1HB       PRO 106   1.436   7.553  24.978
  720   2HB   PRO 106          2HB       PRO 106  -0.015   8.142  24.145
  721   1HG   PRO 106          1HG       PRO 106   0.272   5.956  26.151
  722   2HG   PRO 106          2HG       PRO 106  -1.018   7.153  25.966
  723   1HD   PRO 106          1HD       PRO 106  -1.213   4.556  25.122
  724   2HD   PRO 106          2HD       PRO 106  -2.121   5.899  24.399
  725    H    ALA 107           H        ALA 107   2.978   6.496  22.032
  726    HA   ALA 107           HA       ALA 107   4.294   4.278  23.549
  727   1HB   ALA 107          1HB       ALA 107   4.760   5.533  20.828
  728   2HB   ALA 107          3HB       ALA 107   4.092   3.934  21.155
  729   3HB   ALA 107          2HB       ALA 107   5.786   4.272  21.511
  730    H    ALA 108           H        ALA 108   4.723   7.613  22.421
  731    HA   ALA 108           HA       ALA 108   7.391   7.899  23.568
  732   1HB   ALA 108          1HB       ALA 108   7.145   9.425  21.889
  733   2HB   ALA 108          3HB       ALA 108   6.404  10.425  23.139
  734   3HB   ALA 108          2HB       ALA 108   5.391   9.465  22.062
  735    H    ASP 109           H        ASP 109   7.918   8.867  25.551
  736    HA   ASP 109           HA       ASP 109   6.273   8.619  27.794
  737   1HB   ASP 109          1HB       ASP 109   8.816   9.594  27.125
  738   2HB   ASP 109          2HB       ASP 109   8.026  10.939  27.949
  739    H    GLU 110           H        GLU 110   6.866  11.670  25.989
  740    HA   GLU 110           HA       GLU 110   4.377  12.780  27.224
  741   1HB   GLU 110          1HB       GLU 110   7.038  13.728  26.689
  742   2HB   GLU 110          2HB       GLU 110   5.890  14.727  25.798
  743   1HG   GLU 110          1HG       GLU 110   5.388  14.029  28.685
  744   2HG   GLU 110          2HG       GLU 110   6.448  15.374  28.261
  745    H    VAL 111           H        VAL 111   2.612  12.734  25.901
  746    HA   VAL 111           HA       VAL 111   3.042  13.064  22.948
  747    HB   VAL 111           HB       VAL 111   0.861  11.431  24.267
  748   1HG1  VAL 111          1HG1      VAL 111   1.999  11.746  21.500
  749   2HG1  VAL 111          2HG1      VAL 111   1.194  10.245  21.956
  750   3HG1  VAL 111          3HG1      VAL 111   0.313  11.772  22.015
  751   1HG2  VAL 111          1HG2      VAL 111   3.638  10.557  23.415
  752   2HG2  VAL 111          2HG2      VAL 111   2.961  10.487  25.042
  753   3HG2  VAL 111          3HG2      VAL 111   2.317   9.445  23.773
  754    H    LYS 112           H        LYS 112   2.180  15.041  22.411
  755    HA   LYS 112           HA       LYS 112  -0.145  16.076  23.967
  756   1HB   LYS 112          2HB       LYS 112   1.732  17.385  21.971
  757   2HB   LYS 112          1HB       LYS 112   0.535  18.223  22.960
  758   1HG   LYS 112          1HG       LYS 112   2.145  16.566  24.664
  759   2HG   LYS 112          2HG       LYS 112   3.210  17.549  23.659
  760   1HD   LYS 112          1HD       LYS 112   1.679  19.528  24.292
  761   2HD   LYS 112          2HD       LYS 112   1.049  18.472  25.557
  762   1HE   LYS 112          1HE       LYS 112   2.940  19.913  26.366
  763   2HE   LYS 112          2HE       LYS 112   3.329  18.186  26.468
  764   1HZ   LYS 112          1HZ       LYS 112   3.858  19.527  23.929
  765   2HZ   LYS 112          2HZ       LYS 112   4.894  19.916  25.218
  766   3HZ   LYS 112          3HZ       LYS 112   4.740  18.303  24.710
  767    H    ILE 113           H        ILE 113  -2.104  16.522  22.941
  768    HA   ILE 113           HA       ILE 113  -2.374  16.409  20.018
  769    HB   ILE 113           HB       ILE 113  -2.287  14.046  20.606
  770   1HG1  ILE 113          1HG1      ILE 113  -5.186  14.127  20.391
  771   2HG1  ILE 113          2HG1      ILE 113  -4.431  15.299  19.313
  772   1HG2  ILE 113          1HG2      ILE 113  -4.258  14.911  22.717
  773   2HG2  ILE 113          2HG2      ILE 113  -4.197  13.234  22.175
  774   3HG2  ILE 113          3HG2      ILE 113  -2.775  13.975  22.912
  775   1HD1  ILE 113          1HD1      ILE 113  -2.830  13.046  19.034
  776   2HD1  ILE 113          2HD1      ILE 113  -4.459  12.378  19.152
  777   3HD1  ILE 113          3HD1      ILE 113  -4.081  13.565  17.904
  778    H    VAL 114           H        VAL 114  -4.482  17.166  19.343
  779    HA   VAL 114           HA       VAL 114  -5.995  18.538  21.526
  780    HB   VAL 114           HB       VAL 114  -5.033  19.213  18.877
  781   1HG1  VAL 114          1HG1      VAL 114  -7.327  18.597  18.143
  782   2HG1  VAL 114          2HG1      VAL 114  -7.991  19.717  19.333
  783   3HG1  VAL 114          3HG1      VAL 114  -7.027  20.329  17.989
  784   1HG2  VAL 114          1HG2      VAL 114  -5.454  20.407  21.364
  785   2HG2  VAL 114          2HG2      VAL 114  -4.829  21.202  19.918
  786   3HG2  VAL 114          3HG2      VAL 114  -6.553  21.264  20.282
  787    H    TYR 115           H        TYR 115  -8.365  18.408  21.443
  788    HA   TYR 115           HA       TYR 115  -9.317  15.974  19.971
  789   1HB   TYR 115          2HB       TYR 115 -10.130  15.225  21.953
  790   2HB   TYR 115          1HB       TYR 115  -9.140  16.472  22.697
  791    HD1  TYR 115           HD1      TYR 115 -10.134  18.645  23.361
  792    HD2  TYR 115           HD2      TYR 115 -12.529  15.430  21.818
  793    HE1  TYR 115           HE1      TYR 115 -12.173  19.755  24.217
  794    HE2  TYR 115           HE2      TYR 115 -14.574  16.546  22.674
  795    HH   TYR 115           HH       TYR 115 -15.321  18.780  23.303
  796    H    ASN 116           H        ASN 116 -11.922  16.134  19.925
  797    HA   ASN 116           HA       ASN 116 -13.828  17.274  19.110
  798   1HB   ASN 116          1HB       ASN 116 -12.268  19.209  20.575
  799   2HB   ASN 116          2HB       ASN 116 -12.961  19.981  19.152
  800   2HD2  ASN 116          2HD2      ASN 116 -14.032  20.888  21.476
  801   1HD2  ASN 116          1HD2      ASN 116 -15.563  20.215  21.770
  802    H    ALA 117           H        ALA 117 -11.325  16.564  17.493
  803    HA   ALA 117           HA       ALA 117 -10.562  18.284  15.493
  804   1HB   ALA 117          1HB       ALA 117  -9.866  15.972  15.601
  805   2HB   ALA 117          2HB       ALA 117 -11.514  15.415  15.311
  806   3HB   ALA 117          3HB       ALA 117 -10.619  16.224  14.026
  807    H    LYS 118           H        LYS 118 -13.804  17.016  15.960
  808    HA   LYS 118           HA       LYS 118 -15.055  17.272  13.518
  809   1HB   LYS 118          2HB       LYS 118 -17.045  17.753  14.799
  810   2HB   LYS 118          1HB       LYS 118 -16.019  16.724  15.798
  811   1HG   LYS 118          1HG       LYS 118 -15.214  18.648  17.045
  812   2HG   LYS 118          2HG       LYS 118 -16.067  19.751  15.966
  813   1HD   LYS 118          1HD       LYS 118 -18.192  18.402  16.668
  814   2HD   LYS 118          2HD       LYS 118 -17.202  17.874  18.029
  815   1HE   LYS 118          1HE       LYS 118 -16.891  20.137  18.790
  816   2HE   LYS 118          2HE       LYS 118 -17.577  20.798  17.293
  817    H    HIS 119           H        HIS 119 -13.662  19.877  15.419
  818    HA   HIS 119           HA       HIS 119 -15.020  22.095  14.227
  819   1HB   HIS 119          1HB       HIS 119 -13.004  23.308  15.077
  820   2HB   HIS 119          2HB       HIS 119 -13.679  22.205  16.276
  821    HD1  HIS 119           HD1      HIS 119 -11.065  22.000  13.488
  822    HD2  HIS 119           HD2      HIS 119 -11.719  20.605  17.365
  823    HE1  HIS 119           HE1      HIS 119  -9.013  20.657  14.122
  824    H    LEU 120           H        LEU 120 -12.449  20.010  13.089
  825    HA   LEU 120           HA       LEU 120 -11.226  21.689  11.145
  826   1HB   LEU 120          1HB       LEU 120 -11.133  19.033  12.041
  827   2HB   LEU 120          2HB       LEU 120 -11.522  18.911  10.326
  828    HG   LEU 120           HG       LEU 120  -9.314  20.721  11.303
  829   1HD1  LEU 120          1HD1      LEU 120  -8.868  18.419  12.126
  830   2HD1  LEU 120          2HD1      LEU 120  -9.063  17.811  10.481
  831   3HD1  LEU 120          3HD1      LEU 120  -7.729  18.897  10.866
  832   1HD2  LEU 120          1HD2      LEU 120 -10.245  20.937   8.979
  833   2HD2  LEU 120          2HD2      LEU 120  -8.536  20.500   9.012
  834   3HD2  LEU 120          3HD2      LEU 120  -9.754  19.270   8.676
  835    H    ASP 121           H        ASP 121 -12.161  22.636   9.380
  836    HA   ASP 121           HA       ASP 121 -14.787  22.387   8.486
  837   1HB   ASP 121          1HB       ASP 121 -13.332  24.139   7.718
  838   2HB   ASP 121          2HB       ASP 121 -12.196  22.978   7.033
  839    H    TYR 122           H        TYR 122 -12.078  20.237   7.864
  840    HA   TYR 122           HA       TYR 122 -13.200  18.830   5.613
  841   1HB   TYR 122          1HB       TYR 122 -10.794  18.950   6.669
  842   2HB   TYR 122          2HB       TYR 122 -11.366  17.602   7.654
  843    HD1  TYR 122           HD1      TYR 122 -10.840  18.760   4.158
  844    HD2  TYR 122           HD2      TYR 122 -11.620  15.412   6.734
  845    HE1  TYR 122           HE1      TYR 122 -10.445  17.210   2.263
  846    HE2  TYR 122           HE2      TYR 122 -11.225  13.862   4.839
  847    HH   TYR 122           HH       TYR 122 -11.286  14.711   1.729
  848    H    LEU 123           H        LEU 123 -13.367  18.340   9.122
  849    HA   LEU 123           HA       LEU 123 -14.890  15.847   8.888
  850   1HB   LEU 123          1HB       LEU 123 -13.693  17.585  10.962
  851   2HB   LEU 123          2HB       LEU 123 -15.137  16.712  11.474
  852    HG   LEU 123           HG       LEU 123 -13.175  15.119   9.927
  853   1HD1  LEU 123          1HD1      LEU 123 -12.537  16.414  12.564
  854   2HD1  LEU 123          2HD1      LEU 123 -11.928  14.796  12.218
  855   3HD1  LEU 123          3HD1      LEU 123 -11.485  16.147  11.175
  856   1HD2  LEU 123          1HD2      LEU 123 -15.343  14.744  11.744
  857   2HD2  LEU 123          2HD2      LEU 123 -14.418  13.510  10.888
  858   3HD2  LEU 123          3HD2      LEU 123 -13.899  14.051  12.485
  859    H    GLN 124           H        GLN 124 -15.585  19.268   9.543
  860    HA   GLN 124           HA       GLN 124 -18.316  19.005  10.327
  861   1HB   GLN 124          1HB       GLN 124 -16.421  21.003   9.903
  862   2HB   GLN 124          2HB       GLN 124 -17.668  21.358   8.708
  863   1HG   GLN 124          1HG       GLN 124 -19.385  21.259  10.497
  864   2HG   GLN 124          2HG       GLN 124 -18.114  20.956  11.683
  865   2HE2  GLN 124          2HE2      GLN 124 -16.970  22.769  12.485
  866   1HE2  GLN 124          1HE2      GLN 124 -17.194  24.354  11.921
  867    H    ASN 125           H        ASN 125 -16.761  18.923   7.177
  868    HA   ASN 125           HA       ASN 125 -18.942  19.468   5.459
  869   1HB   ASN 125          1HB       ASN 125 -16.424  17.849   5.375
  870   2HB   ASN 125          2HB       ASN 125 -17.567  17.683   4.042
  871   2HD2  ASN 125          2HD2      ASN 125 -18.500  20.151   3.506
  872   1HD2  ASN 125          1HD2      ASN 125 -17.251  21.263   3.217
  873    H    ARG 126           H        ARG 126 -18.406  16.760   7.561
  874    HA   ARG 126           HA       ARG 126 -20.407  15.090   6.108
  875   1HB   ARG 126          1HB       ARG 126 -18.009  14.645   7.562
  876   2HB   ARG 126          2HB       ARG 126 -19.312  13.926   8.509
  877   1HG   ARG 126          1HG       ARG 126 -19.299  13.449   5.556
  878   2HG   ARG 126          2HG       ARG 126 -18.125  12.574   6.540
  879   1HD   ARG 126          1HD       ARG 126 -19.736  11.240   7.457
  880   2HD   ARG 126          2HD       ARG 126 -20.859  12.597   7.664
  881    HE   ARG 126           HE       ARG 126 -20.809  12.303   4.939
  882   1HH1  ARG 126          1HH1      ARG 126 -20.127   9.506   6.523
  883   2HH1  ARG 126          2HH1      ARG 126 -21.578   8.661   6.095
  884   1HH2  ARG 126          1HH2      ARG 126 -23.152  11.474   4.817
  885   2HH2  ARG 126          2HH2      ARG 126 -23.290   9.776   5.129
  886    H    VAL 127           H        VAL 127 -19.948  16.951   9.054
  887    HA   VAL 127           HA       VAL 127 -22.084  15.865  10.619
  888    HB   VAL 127           HB       VAL 127 -20.744  18.578  10.443
  889   1HG1  VAL 127          1HG1      VAL 127 -23.004  18.826  11.412
  890   2HG1  VAL 127          2HG1      VAL 127 -22.650  17.534  12.560
  891   3HG1  VAL 127          3HG1      VAL 127 -21.760  19.055  12.641
  892   1HG2  VAL 127          1HG2      VAL 127 -19.898  16.093  11.415
  893   2HG2  VAL 127          2HG2      VAL 127 -19.166  17.658  11.770
  894   3HG2  VAL 127          3HG2      VAL 127 -20.384  16.987  12.856
  895    H    ILE 128           H        ILE 128 -24.292  16.427  10.696
  896    HA   ILE 128           HA       ILE 128 -25.459  17.528   8.262
  897    HB   ILE 128           HB       ILE 128 -26.751  16.899  10.932
  898   1HG1  ILE 128          1HG1      ILE 128 -26.071  15.062   8.614
  899   2HG1  ILE 128          2HG1      ILE 128 -25.386  14.990  10.239
  900   1HG2  ILE 128          1HG2      ILE 128 -27.767  17.901   8.506
  901   2HG2  ILE 128          2HG2      ILE 128 -28.206  16.192   8.526
  902   3HG2  ILE 128          3HG2      ILE 128 -28.700  17.245   9.852
  903   1HD1  ILE 128          1HD1      ILE 128 -28.366  14.860   9.902
  904   2HD1  ILE 128          2HD1      ILE 128 -27.402  13.416   9.592
  905   3HD1  ILE 128          3HD1      ILE 128 -27.358  14.182  11.180

  No H/Q in entry =         905
  Start of MODEL   16
    1    H2   PRO   1           H2       PRO   1   1.954   6.022  31.567
    2    H3   PRO   1           H3       PRO   1   3.560   5.520  31.312
    3    HA   PRO   1           HA       PRO   1   3.887   7.348  30.113
    4   1HB   PRO   1          1HB       PRO   1   2.272   7.130  27.916
    5   2HB   PRO   1          2HB       PRO   1   3.706   6.116  28.166
    6   1HG   PRO   1          1HG       PRO   1   0.829   5.491  28.633
    7   2HG   PRO   1          2HG       PRO   1   2.109   4.469  27.961
    8   1HD   PRO   1          1HD       PRO   1   1.222   4.274  30.531
    9   2HD   PRO   1          2HD       PRO   1   2.873   3.854  30.033
   10    H    THR   2           H        THR   2   3.127   9.504  29.833
   11    HA   THR   2           HA       THR   2   0.299   9.980  30.721
   12    HB   THR   2           HB       THR   2   2.838  11.609  31.074
   13    HG1  THR   2           HG1      THR   2   1.316  10.690  33.198
   14   1HG2  THR   2          1HG2      THR   2   0.650  12.900  30.781
   15   2HG2  THR   2          2HG2      THR   2   0.124  12.146  32.287
   16   3HG2  THR   2          3HG2      THR   2   1.536  13.202  32.276
   17    H    VAL   3           H        VAL   3  -0.969  11.203  29.350
   18    HA   VAL   3           HA       VAL   3   0.384  12.439  26.973
   19    HB   VAL   3           HB       VAL   3  -2.439  11.358  27.200
   20   1HG1  VAL   3          1HG1      VAL   3  -0.677  12.371  24.984
   21   2HG1  VAL   3          2HG1      VAL   3  -1.928  11.180  24.630
   22   3HG1  VAL   3          3HG1      VAL   3  -2.369  12.744  25.316
   23   1HG2  VAL   3          1HG2      VAL   3   0.175  10.014  26.628
   24   2HG2  VAL   3          2HG2      VAL   3  -1.236   9.395  27.486
   25   3HG2  VAL   3          3HG2      VAL   3  -1.249   9.496  25.725
   26    H    GLU   4           H        GLU   4  -1.066  14.254  26.022
   27    HA   GLU   4           HA       GLU   4  -2.421  15.780  28.219
   28   1HB   GLU   4          1HB       GLU   4   0.078  16.280  27.098
   29   2HB   GLU   4          2HB       GLU   4  -0.990  17.389  26.236
   30   1HG   GLU   4          1HG       GLU   4  -1.317  18.673  28.076
   31   2HG   GLU   4          2HG       GLU   4  -1.521  17.269  29.122
   32    H    TYR   5           H        TYR   5  -4.507  16.151  27.573
   33    HA   TYR   5           HA       TYR   5  -5.105  16.267  24.647
   34   1HB   TYR   5          2HB       TYR   5  -7.376  15.738  25.368
   35   2HB   TYR   5          1HB       TYR   5  -6.258  14.638  26.175
   36    HD1  TYR   5           HD1      TYR   5  -8.487  17.542  26.600
   37    HD2  TYR   5           HD2      TYR   5  -5.776  14.846  28.560
   38    HE1  TYR   5           HE1      TYR   5  -9.304  18.324  28.808
   39    HE2  TYR   5           HE2      TYR   5  -6.592  15.628  30.765
   40    HH   TYR   5           HH       TYR   5  -8.179  16.824  31.819
   41    H    LEU   6           H        LEU   6  -5.890  18.161  23.740
   42    HA   LEU   6           HA       LEU   6  -6.553  20.428  25.590
   43   1HB   LEU   6          1HB       LEU   6  -4.206  20.267  24.370
   44   2HB   LEU   6          2HB       LEU   6  -5.127  20.844  22.980
   45    HG   LEU   6           HG       LEU   6  -4.814  22.199  25.672
   46   1HD1  LEU   6          1HD1      LEU   6  -3.361  22.354  23.278
   47   2HD1  LEU   6          2HD1      LEU   6  -4.405  23.775  23.261
   48   3HD1  LEU   6          3HD1      LEU   6  -3.306  23.503  24.614
   49   1HD2  LEU   6          1HD2      LEU   6  -6.738  22.714  23.400
   50   2HD2  LEU   6          2HD2      LEU   6  -7.102  22.532  25.115
   51   3HD2  LEU   6          3HD2      LEU   6  -6.277  23.980  24.538
   52    H    ASN   7           H        ASN   7  -8.631  21.061  25.156
   53    HA   ASN   7           HA       ASN   7 -10.225  20.203  22.982
   54   1HB   ASN   7          1HB       ASN   7 -11.044  21.144  25.106
   55   2HB   ASN   7          2HB       ASN   7 -10.369  22.713  24.680
   56   2HD2  ASN   7          2HD2      ASN   7 -11.882  20.642  22.237
   57   1HD2  ASN   7          1HD2      ASN   7 -13.249  21.619  21.998
   58    H    TYR   8           H        TYR   8  -9.767  20.637  20.840
   59    HA   TYR   8           HA       TYR   8  -8.158  22.794  19.896
   60   1HB   TYR   8          1HB       TYR   8  -8.487  20.977  18.445
   61   2HB   TYR   8          2HB       TYR   8 -10.221  20.926  18.750
   62    HD1  TYR   8           HD1      TYR   8 -11.663  22.845  17.893
   63    HD2  TYR   8           HD2      TYR   8  -7.610  22.214  16.622
   64    HE1  TYR   8           HE1      TYR   8 -12.078  24.239  15.890
   65    HE2  TYR   8           HE2      TYR   8  -8.021  23.618  14.617
   66    HH   TYR   8           HH       TYR   8 -10.039  25.698  14.214
   67    H    GLU   9           H        GLU   9 -11.632  22.556  20.540
   68    HA   GLU   9           HA       GLU   9 -12.478  24.954  19.238
   69   1HB   GLU   9          1HB       GLU   9 -13.619  22.876  20.590
   70   2HB   GLU   9          2HB       GLU   9 -13.777  24.165  21.784
   71   1HG   GLU   9          1HG       GLU   9 -15.262  25.346  20.504
   72   2HG   GLU   9          2HG       GLU   9 -14.474  24.894  18.993
   73    H    THR  10           H        THR  10 -11.142  24.361  22.480
   74    HA   THR  10           HA       THR  10 -11.620  26.955  23.584
   75    HB   THR  10           HB       THR  10  -9.456  24.877  24.051
   76    HG1  THR  10           HG1      THR  10 -11.075  24.861  26.010
   77   1HG2  THR  10          1HG2      THR  10 -10.014  27.508  25.305
   78   2HG2  THR  10          2HG2      THR  10  -9.710  26.172  26.414
   79   3HG2  THR  10          3HG2      THR  10  -8.502  26.606  25.204
   80    H    LEU  11           H        LEU  11  -9.107  25.716  21.435
   81    HA   LEU  11           HA       LEU  11  -7.270  27.925  21.695
   82   1HB   LEU  11          1HB       LEU  11  -6.435  25.926  20.759
   83   2HB   LEU  11          2HB       LEU  11  -7.831  25.732  19.702
   84    HG   LEU  11           HG       LEU  11  -7.088  27.442  18.228
   85   1HD1  LEU  11          1HD1      LEU  11  -5.611  28.340  20.628
   86   2HD1  LEU  11          2HD1      LEU  11  -4.754  28.553  19.101
   87   3HD1  LEU  11          3HD1      LEU  11  -6.339  29.290  19.333
   88   1HD2  LEU  11          1HD2      LEU  11  -5.498  25.230  18.774
   89   2HD2  LEU  11          2HD2      LEU  11  -5.366  26.265  17.352
   90   3HD2  LEU  11          3HD2      LEU  11  -4.347  26.567  18.760
   91    H    ASP  12           H        ASP  12  -9.797  27.171  19.268
   92    HA   ASP  12           HA       ASP  12  -9.510  29.654  17.822
   93   1HB   ASP  12          1HB       ASP  12 -11.588  27.474  18.060
   94   2HB   ASP  12          2HB       ASP  12 -11.867  28.883  17.036
   95    H    ASP  13           H        ASP  13 -11.616  28.570  20.476
   96    HA   ASP  13           HA       ASP  13 -13.287  30.910  20.575
   97   1HB   ASP  13          1HB       ASP  13 -12.482  28.719  22.497
   98   2HB   ASP  13          2HB       ASP  13 -13.596  29.998  22.982
   99    H    GLN  14           H        GLN  14 -10.369  29.968  22.420
  100    HA   GLN  14           HA       GLN  14 -10.193  32.381  23.973
  101   1HB   GLN  14          1HB       GLN  14  -8.386  30.117  23.167
  102   2HB   GLN  14          2HB       GLN  14  -7.707  31.498  24.028
  103   1HG   GLN  14          1HG       GLN  14 -10.148  30.005  25.010
  104   2HG   GLN  14          2HG       GLN  14  -8.510  29.568  25.493
  105   2HE2  GLN  14          2HE2      GLN  14  -7.840  30.577  27.388
  106   1HE2  GLN  14          1HE2      GLN  14  -8.411  32.071  27.954
  107    H    GLY  15           H        GLY  15  -9.023  31.479  20.763
  108   1HA   GLY  15          2HA       GLY  15  -8.392  34.320  20.241
  109   2HA   GLY  15          1HA       GLY  15  -8.507  33.049  19.024
  110    H    TRP  16           H        TRP  16  -6.775  31.225  20.620
  111    HA   TRP  16           HA       TRP  16  -4.164  32.662  20.577
  112   1HB   TRP  16          1HB       TRP  16  -5.217  30.064  21.702
  113   2HB   TRP  16          2HB       TRP  16  -3.487  30.399  21.641
  114    HD1  TRP  16           HD1      TRP  16  -4.098  33.644  22.156
  115    HE1  TRP  16           HE1      TRP  16  -4.487  34.359  24.601
  116    HE3  TRP  16           HE3      TRP  16  -5.290  29.126  24.223
  117    HZ2  TRP  16           HZ2      TRP  16  -5.209  33.176  27.102
  118    HZ3  TRP  16           HZ3      TRP  16  -5.823  28.950  26.637
  119    HH2  TRP  16           HH2      TRP  16  -5.784  30.968  28.077
  120    H    ASP  17           H        ASP  17  -2.299  31.195  19.718
  121    HA   ASP  17           HA       ASP  17  -3.044  30.321  16.983
  122   1HB   ASP  17          1HB       ASP  17  -0.738  31.421  18.413
  123   2HB   ASP  17          2HB       ASP  17  -0.292  30.093  17.341
  124    H    MET  18           H        MET  18  -1.294  28.403  16.343
  125    HA   MET  18           HA       MET  18  -2.259  26.047  17.772
  126   1HB   MET  18          1HB       MET  18  -1.416  26.657  15.235
  127   2HB   MET  18          2HB       MET  18  -0.001  25.822  15.876
  128   1HG   MET  18          1HG       MET  18  -1.208  23.839  16.288
  129   2HG   MET  18          2HG       MET  18  -2.764  24.668  16.233
  130   1HE   MET  18          1HE       MET  18   0.240  23.322  14.550
  131   2HE   MET  18          2HE       MET  18  -0.051  23.362  12.805
  132   3HE   MET  18          3HE       MET  18   0.381  24.838  13.664
  133    H    ASP  19           H        ASP  19   1.014  27.409  17.196
  134    HA   ASP  19           HA       ASP  19   1.914  26.006  19.694
  135   1HB   ASP  19          1HB       ASP  19   2.800  25.147  17.517
  136   2HB   ASP  19          2HB       ASP  19   3.481  26.743  17.201
  137    H    ASP  20           H        ASP  20   1.397  29.022  18.216
  138    HA   ASP  20           HA       ASP  20   3.593  30.539  19.321
  139   1HB   ASP  20          1HB       ASP  20   1.420  30.895  17.595
  140   2HB   ASP  20          2HB       ASP  20   1.082  31.976  18.947
  141    H    ASP  21           H        ASP  21   0.189  30.120  20.374
  142    HA   ASP  21           HA       ASP  21   0.623  31.591  22.860
  143   1HB   ASP  21          1HB       ASP  21  -1.536  30.316  21.334
  144   2HB   ASP  21          2HB       ASP  21  -1.735  30.158  23.079
  145    H    ASP  22           H        ASP  22   1.375  28.436  21.865
  146    HA   ASP  22           HA       ASP  22   1.914  26.467  23.069
  147   1HB   ASP  22          1HB       ASP  22   2.983  28.831  24.270
  148   2HB   ASP  22          2HB       ASP  22   2.527  27.730  25.569
  149    H    LEU  23           H        LEU  23  -0.794  26.769  23.030
  150    HA   LEU  23           HA       LEU  23  -2.279  27.119  25.367
  151   1HB   LEU  23          1HB       LEU  23  -2.507  25.093  23.125
  152   2HB   LEU  23          2HB       LEU  23  -3.792  25.392  24.296
  153    HG   LEU  23           HG       LEU  23  -3.051  27.942  23.431
  154   1HD1  LEU  23          1HD1      LEU  23  -2.025  26.235  21.533
  155   2HD1  LEU  23          2HD1      LEU  23  -3.624  26.588  20.878
  156   3HD1  LEU  23          3HD1      LEU  23  -2.503  27.904  21.226
  157   1HD2  LEU  23          1HD2      LEU  23  -5.335  26.854  23.898
  158   2HD2  LEU  23          2HD2      LEU  23  -5.272  28.028  22.583
  159   3HD2  LEU  23          3HD2      LEU  23  -5.284  26.301  22.224
  160    H    PHE  24           H        PHE  24  -0.706  24.071  24.305
  161    HA   PHE  24           HA       PHE  24  -1.461  22.411  26.451
  162   1HB   PHE  24          1HB       PHE  24   0.863  22.629  24.571
  163   2HB   PHE  24          2HB       PHE  24   0.970  21.469  25.894
  164    HD1  PHE  24           HD1      PHE  24  -1.105  19.898  26.226
  165    HD2  PHE  24           HD2      PHE  24  -0.246  22.038  22.601
  166    HE1  PHE  24           HE1      PHE  24  -2.537  18.320  24.953
  167    HE2  PHE  24           HE2      PHE  24  -1.677  20.462  21.331
  168    HZ   PHE  24           HZ       PHE  24  -2.819  18.602  22.506
  169    H    GLU  25           H        GLU  25   0.718  25.112  26.415
  170    HA   GLU  25           HA       GLU  25   1.815  24.347  29.094
  171   1HB   GLU  25          1HB       GLU  25   2.767  25.735  26.691
  172   2HB   GLU  25          2HB       GLU  25   3.144  26.603  28.179
  173   1HG   GLU  25          1HG       GLU  25   3.731  23.662  27.730
  174   2HG   GLU  25          2HG       GLU  25   4.915  24.951  27.517
  175    H    LYS  26           H        LYS  26   0.612  27.254  27.358
  176    HA   LYS  26           HA       LYS  26   0.305  28.870  29.702
  177   1HB   LYS  26          1HB       LYS  26   0.353  29.437  27.169
  178   2HB   LYS  26          2HB       LYS  26  -1.371  29.064  27.200
  179   1HG   LYS  26          1HG       LYS  26  -1.718  30.741  28.964
  180   2HG   LYS  26          2HG       LYS  26   0.010  31.095  28.981
  181   1HD   LYS  26          1HD       LYS  26  -0.146  31.757  26.576
  182   2HD   LYS  26          2HD       LYS  26  -1.890  31.508  26.653
  183   1HE   LYS  26          2HE       LYS  26  -1.978  33.706  27.277
  184   2HE   LYS  26          1HE       LYS  26  -1.401  33.133  28.854
  185   1HZ   LYS  26          1HZ       LYS  26   0.892  33.233  27.871
  186   2HZ   LYS  26          2HZ       LYS  26   0.227  34.069  26.551
  187   3HZ   LYS  26          3HZ       LYS  26   0.156  34.744  28.108
  188    H    ALA  27           H        ALA  27  -1.883  26.615  28.065
  189    HA   ALA  27           HA       ALA  27  -4.300  27.282  29.415
  190   1HB   ALA  27          1HB       ALA  27  -3.878  25.760  27.410
  191   2HB   ALA  27          2HB       ALA  27  -3.375  24.525  28.563
  192   3HB   ALA  27          3HB       ALA  27  -5.027  25.141  28.596
  193    H    ALA  28           H        ALA  28  -1.563  25.246  30.375
  194    HA   ALA  28           HA       ALA  28  -2.795  24.032  32.673
  195   1HB   ALA  28          1HB       ALA  28  -0.408  23.897  31.260
  196   2HB   ALA  28          3HB       ALA  28   0.089  24.554  32.821
  197   3HB   ALA  28          2HB       ALA  28  -0.765  23.013  32.743
  198    H    ASP  29           H        ASP  29  -1.302  27.156  32.112
  199    HA   ASP  29           HA       ASP  29  -1.393  27.779  35.034
  200   1HB   ASP  29          1HB       ASP  29  -0.126  29.169  32.650
  201   2HB   ASP  29          2HB       ASP  29   0.036  29.693  34.326
  202    H    ALA  30           H        ALA  30  -3.609  27.795  32.751
  203    HA   ALA  30           HA       ALA  30  -4.556  30.595  33.232
  204   1HB   ALA  30          1HB       ALA  30  -5.799  28.838  31.183
  205   2HB   ALA  30          3HB       ALA  30  -4.117  29.291  30.900
  206   3HB   ALA  30          2HB       ALA  30  -5.351  30.540  31.077
  207    H    GLY  31           H        GLY  31  -5.453  27.181  33.392
  208   1HA   GLY  31          2HA       GLY  31  -7.694  27.922  35.194
  209   2HA   GLY  31          1HA       GLY  31  -6.986  26.314  35.051
  210    H    LEU  32           H        LEU  32  -7.262  25.352  32.734
  211    HA   LEU  32           HA       LEU  32  -9.791  26.216  31.430
  212   1HB   LEU  32          1HB       LEU  32  -7.295  24.851  30.723
  213   2HB   LEU  32          2HB       LEU  32  -8.718  24.053  30.054
  214    HG   LEU  32           HG       LEU  32  -7.778  25.840  28.557
  215   1HD1  LEU  32          1HD1      LEU  32 -10.559  25.956  29.688
  216   2HD1  LEU  32          2HD1      LEU  32 -10.069  27.128  28.465
  217   3HD1  LEU  32          3HD1      LEU  32 -10.027  25.403  28.099
  218   1HD2  LEU  32          1HD2      LEU  32  -7.165  27.297  30.597
  219   2HD2  LEU  32          2HD2      LEU  32  -7.841  28.125  29.194
  220   3HD2  LEU  32          3HD2      LEU  32  -8.858  27.789  30.595
  221    H    ASP  33           H        ASP  33 -11.241  24.321  30.704
  222    HA   ASP  33           HA       ASP  33 -12.098  22.830  33.032
  223   1HB   ASP  33          1HB       ASP  33 -13.261  23.747  30.786
  224   2HB   ASP  33          2HB       ASP  33 -12.952  22.088  30.272
  225    H    GLY  34           H        GLY  34 -12.312  20.407  33.014
  226   1HA   GLY  34          2HA       GLY  34 -11.021  18.411  33.161
  227   2HA   GLY  34          1HA       GLY  34  -9.773  19.181  32.181
  228    H    GLU  35           H        GLU  35 -13.174  19.085  31.275
  229    HA   GLU  35           HA       GLU  35 -12.985  16.772  29.544
  230   1HB   GLU  35          1HB       GLU  35 -14.945  18.420  30.603
  231   2HB   GLU  35          2HB       GLU  35 -14.976  18.832  28.887
  232   1HG   GLU  35          1HG       GLU  35 -15.681  16.735  28.259
  233   2HG   GLU  35          2HG       GLU  35 -14.823  15.937  29.577
  234    H    ASP  36           H        ASP  36 -11.636  19.840  29.294
  235    HA   ASP  36           HA       ASP  36 -11.609  19.707  26.295
  236   1HB   ASP  36          1HB       ASP  36 -11.623  21.971  28.299
  237   2HB   ASP  36          2HB       ASP  36 -11.142  22.230  26.623
  238    H    TYR  37           H        TYR  37  -9.666  20.848  29.098
  239    HA   TYR  37           HA       TYR  37  -7.228  19.943  27.607
  240   1HB   TYR  37          1HB       TYR  37  -7.348  22.326  27.385
  241   2HB   TYR  37          2HB       TYR  37  -7.790  22.525  29.081
  242    HD1  TYR  37           HD1      TYR  37  -5.071  20.931  27.033
  243    HD2  TYR  37           HD2      TYR  37  -6.102  23.165  30.554
  244    HE1  TYR  37           HE1      TYR  37  -2.671  21.079  27.640
  245    HE2  TYR  37           HE2      TYR  37  -3.703  23.314  31.161
  246    HH   TYR  37           HH       TYR  37  -1.597  21.958  30.674
  247    H    GLY  38           H        GLY  38  -5.496  19.215  28.974
  248   1HA   GLY  38          2HA       GLY  38  -6.404  18.240  31.607
  249   2HA   GLY  38          1HA       GLY  38  -5.020  19.333  31.626
  250    H    THR  39           H        THR  39  -3.935  17.339  32.542
  251    HA   THR  39           HA       THR  39  -2.478  15.961  30.407
  252    HB   THR  39           HB       THR  39  -2.221  15.130  33.246
  253    HG1  THR  39           HG1      THR  39  -1.366  17.704  32.484
  254   1HG2  THR  39          1HG2      THR  39  -0.606  15.447  30.857
  255   2HG2  THR  39          2HG2      THR  39   0.156  16.229  32.242
  256   3HG2  THR  39          3HG2      THR  39  -0.264  14.518  32.317
  257    H    MET  40           H        MET  40  -2.962  13.933  29.635
  258    HA   MET  40           HA       MET  40  -5.202  12.453  30.921
  259   1HB   MET  40          1HB       MET  40  -4.892  13.165  28.400
  260   2HB   MET  40          2HB       MET  40  -3.875  11.726  28.327
  261   1HG   MET  40          1HG       MET  40  -6.104  10.837  29.708
  262   2HG   MET  40          2HG       MET  40  -6.795  11.941  28.519
  263   1HE   MET  40          1HE       MET  40  -6.933  11.908  26.522
  264   2HE   MET  40          2HE       MET  40  -5.888  11.141  25.329
  265   3HE   MET  40          3HE       MET  40  -7.401  10.365  25.794
  266    H    GLU  41           H        GLU  41  -4.470  11.007  32.453
  267    HA   GLU  41           HA       GLU  41  -1.817   9.766  32.265
  268   1HB   GLU  41          1HB       GLU  41  -4.158   9.803  34.145
  269   2HB   GLU  41          2HB       GLU  41  -2.946   8.536  34.327
  270   1HG   GLU  41          1HG       GLU  41  -1.252  10.048  34.860
  271   2HG   GLU  41          2HG       GLU  41  -2.052  11.388  34.040
  272    H    VAL  42           H        VAL  42  -1.556   8.072  30.843
  273    HA   VAL  42           HA       VAL  42  -3.805   6.098  30.597
  274    HB   VAL  42           HB       VAL  42  -1.757   7.138  28.619
  275   1HG1  VAL  42          1HG1      VAL  42  -3.174   4.579  28.720
  276   2HG1  VAL  42          2HG1      VAL  42  -3.519   5.484  27.246
  277   3HG1  VAL  42          3HG1      VAL  42  -1.853   5.087  27.668
  278   1HG2  VAL  42          1HG2      VAL  42  -4.671   7.493  29.110
  279   2HG2  VAL  42          2HG2      VAL  42  -3.494   8.630  28.453
  280   3HG2  VAL  42          3HG2      VAL  42  -4.165   7.362  27.425
  281    H    ALA  43           H        ALA  43  -3.129   4.434  31.950
  282    HA   ALA  43           HA       ALA  43  -0.415   3.687  32.461
  283   1HB   ALA  43          1HB       ALA  43  -2.804   3.133  33.537
  284   2HB   ALA  43          3HB       ALA  43  -1.426   2.056  33.761
  285   3HB   ALA  43          2HB       ALA  43  -2.640   1.691  32.537
  286    H    GLU  44           H        GLU  44   0.884   2.078  31.490
  287    HA   GLU  44           HA       GLU  44   0.728   1.625  28.712
  288   1HB   GLU  44          1HB       GLU  44   2.748   1.305  30.019
  289   2HB   GLU  44          2HB       GLU  44   1.984   0.026  30.965
  290   1HG   GLU  44          1HG       GLU  44   1.713  -0.637  28.197
  291   2HG   GLU  44          2HG       GLU  44   3.399  -0.215  28.493
  292    H    GLY  45           H        GLY  45  -0.835   0.516  27.609
  293   1HA   GLY  45          2HA       GLY  45  -1.919  -1.973  28.863
  294   2HA   GLY  45          1HA       GLY  45  -1.756  -1.740  27.123
  295    H    GLU  46           H        GLU  46  -2.732   1.166  28.405
  296    HA   GLU  46           HA       GLU  46  -5.641   0.487  28.191
  297   1HB   GLU  46          1HB       GLU  46  -4.001   2.070  29.960
  298   2HB   GLU  46          2HB       GLU  46  -5.208   3.105  29.196
  299   1HG   GLU  46          1HG       GLU  46  -6.935   1.337  29.812
  300   2HG   GLU  46          2HG       GLU  46  -5.685   0.582  30.801
  301    H    TYR  47           H        TYR  47  -6.756   1.319  26.455
  302    HA   TYR  47           HA       TYR  47  -5.385   2.769  24.360
  303   1HB   TYR  47          1HB       TYR  47  -8.368   2.468  24.763
  304   2HB   TYR  47          2HB       TYR  47  -7.488   2.569  23.239
  305    HD1  TYR  47           HD1      TYR  47  -5.171   0.721  24.376
  306    HD2  TYR  47           HD2      TYR  47  -9.441   0.343  24.088
  307    HE1  TYR  47           HE1      TYR  47  -4.950  -1.749  24.342
  308    HE2  TYR  47           HE2      TYR  47  -9.220  -2.127  24.054
  309    HH   TYR  47           HH       TYR  47  -6.931  -3.780  25.086
  310    H    ILE  48           H        ILE  48  -5.407   4.978  23.932
  311    HA   ILE  48           HA       ILE  48  -5.662   6.934  25.869
  312    HB   ILE  48           HB       ILE  48  -6.306   7.028  22.906
  313   1HG1  ILE  48          1HG1      ILE  48  -3.813   8.200  23.930
  314   2HG1  ILE  48          2HG1      ILE  48  -3.935   6.462  24.203
  315   1HG2  ILE  48          1HG2      ILE  48  -7.044   8.984  24.583
  316   2HG2  ILE  48          2HG2      ILE  48  -5.345   9.423  24.408
  317   3HG2  ILE  48          3HG2      ILE  48  -6.383   9.332  22.985
  318   1HD1  ILE  48          1HD1      ILE  48  -4.609   7.640  21.513
  319   2HD1  ILE  48          2HD1      ILE  48  -2.935   7.291  21.945
  320   3HD1  ILE  48          3HD1      ILE  48  -4.126   5.990  21.904
  321    H    LEU  49           H        LEU  49  -8.238   6.500  23.406
  322    HA   LEU  49           HA       LEU  49 -10.255   7.998  24.589
  323   1HB   LEU  49          1HB       LEU  49  -9.973   5.874  22.657
  324   2HB   LEU  49          2HB       LEU  49 -11.451   5.630  23.587
  325    HG   LEU  49           HG       LEU  49 -11.832   8.184  23.174
  326   1HD1  LEU  49          1HD1      LEU  49  -9.392   7.748  21.773
  327   2HD1  LEU  49          2HD1      LEU  49 -10.640   8.051  20.565
  328   3HD1  LEU  49          3HD1      LEU  49 -10.346   9.229  21.845
  329   1HD2  LEU  49          1HD2      LEU  49 -12.342   5.808  21.514
  330   2HD2  LEU  49          2HD2      LEU  49 -13.461   7.057  22.063
  331   3HD2  LEU  49          3HD2      LEU  49 -12.467   7.329  20.632
  332    H    GLU  50           H        GLU  50  -8.996   4.907  25.655
  333    HA   GLU  50           HA       GLU  50 -11.229   4.190  27.368
  334   1HB   GLU  50          1HB       GLU  50  -9.290   2.781  26.353
  335   2HB   GLU  50          2HB       GLU  50  -8.344   3.368  27.720
  336   1HG   GLU  50          2HG       GLU  50  -9.229   1.633  28.875
  337   2HG   GLU  50          1HG       GLU  50 -10.721   2.572  28.902
  338    H    ALA  51           H        ALA  51  -7.954   5.478  28.085
  339    HA   ALA  51           HA       ALA  51  -8.532   6.009  30.864
  340   1HB   ALA  51          1HB       ALA  51  -6.455   7.683  29.830
  341   2HB   ALA  51          2HB       ALA  51  -6.360   6.127  29.003
  342   3HB   ALA  51          3HB       ALA  51  -6.283   6.197  30.764
  343    H    ALA  52           H        ALA  52  -8.914   7.836  27.888
  344    HA   ALA  52           HA       ALA  52  -9.374  10.396  29.226
  345   1HB   ALA  52          1HB       ALA  52  -9.072   9.289  26.553
  346   2HB   ALA  52          3HB       ALA  52 -10.398  10.449  26.615
  347   3HB   ALA  52          2HB       ALA  52  -8.777  10.937  27.108
  348    H    GLU  53           H        GLU  53 -11.374   7.878  27.731
  349    HA   GLU  53           HA       GLU  53 -13.904   9.153  27.922
  350   1HB   GLU  53          1HB       GLU  53 -13.495   7.111  26.654
  351   2HB   GLU  53          2HB       GLU  53 -13.064   6.246  28.128
  352   1HG   GLU  53          1HG       GLU  53 -15.242   5.971  28.752
  353   2HG   GLU  53          2HG       GLU  53 -15.713   7.569  28.171
  354    H    ALA  54           H        ALA  54 -12.183   7.099  30.251
  355    HA   ALA  54           HA       ALA  54 -14.182   7.010  32.277
  356   1HB   ALA  54          1HB       ALA  54 -11.429   7.161  33.247
  357   2HB   ALA  54          3HB       ALA  54 -11.571   6.117  31.834
  358   3HB   ALA  54          2HB       ALA  54 -12.543   5.794  33.269
  359    H    GLN  55           H        GLN  55 -12.066   9.565  31.243
  360    HA   GLN  55           HA       GLN  55 -12.347  11.130  33.731
  361   1HB   GLN  55          1HB       GLN  55 -10.860  11.208  31.159
  362   2HB   GLN  55          2HB       GLN  55 -11.217  12.774  31.884
  363   1HG   GLN  55          1HG       GLN  55  -9.008  11.635  32.574
  364   2HG   GLN  55          2HG       GLN  55 -10.032  12.252  33.870
  365   2HE2  GLN  55          2HE2      GLN  55 -10.259  10.770  35.545
  366   1HE2  GLN  55          1HE2      GLN  55 -10.246   9.082  35.368
  367    H    GLY  56           H        GLY  56 -13.938  10.785  30.657
  368   1HA   GLY  56          2HA       GLY  56 -15.659  13.134  31.335
  369   2HA   GLY  56          1HA       GLY  56 -16.235  11.704  30.479
  370    H    TYR  57           H        TYR  57 -13.212  12.228  29.297
  371    HA   TYR  57           HA       TYR  57 -13.502  14.480  27.552
  372   1HB   TYR  57          1HB       TYR  57 -11.901  11.908  27.326
  373   2HB   TYR  57          2HB       TYR  57 -11.607  13.357  26.366
  374    HD1  TYR  57           HD1      TYR  57 -12.734  14.594  29.398
  375    HD2  TYR  57           HD2      TYR  57  -9.302  12.632  27.711
  376    HE1  TYR  57           HE1      TYR  57 -11.318  15.504  31.218
  377    HE2  TYR  57           HE2      TYR  57  -7.888  13.546  29.533
  378    HH   TYR  57           HH       TYR  57  -8.246  14.358  31.903
  379    H    ASP  58           H        ASP  58 -15.248  14.592  26.170
  380    HA   ASP  58           HA       ASP  58 -16.432  12.212  24.942
  381   1HB   ASP  58          1HB       ASP  58 -17.199  14.799  25.609
  382   2HB   ASP  58          2HB       ASP  58 -17.118  14.846  23.848
  383    H    TRP  59           H        TRP  59 -15.948  11.414  22.912
  384    HA   TRP  59           HA       TRP  59 -14.103  13.049  21.205
  385   1HB   TRP  59          1HB       TRP  59 -14.354  10.056  21.626
  386   2HB   TRP  59          2HB       TRP  59 -13.265  10.806  20.457
  387    HD1  TRP  59           HD1      TRP  59 -13.832  10.388  24.204
  388    HE1  TRP  59           HE1      TRP  59 -11.701  11.107  25.459
  389    HE3  TRP  59           HE3      TRP  59 -11.104  12.271  20.318
  390    HZ2  TRP  59           HZ2      TRP  59  -9.172  12.305  24.896
  391    HZ3  TRP  59           HZ3      TRP  59  -8.836  13.192  20.708
  392    HH2  TRP  59           HH2      TRP  59  -7.870  13.212  22.992
  393    HA   PRO  60           HA       PRO  60 -17.554  12.874  18.406
  394   1HB   PRO  60          1HB       PRO  60 -16.314  14.172  16.339
  395   2HB   PRO  60          2HB       PRO  60 -16.956  15.010  17.763
  396   1HG   PRO  60          2HG       PRO  60 -14.151  14.215  17.132
  397   2HG   PRO  60          1HG       PRO  60 -14.758  15.700  17.873
  398   1HD   PRO  60          1HD       PRO  60 -13.640  13.671  19.296
  399   2HD   PRO  60          2HD       PRO  60 -14.872  14.764  19.962
  400    H    PHE  61           H        PHE  61 -17.900  12.034  16.135
  401    HA   PHE  61           HA       PHE  61 -17.582  10.405  14.454
  402   1HB   PHE  61          1HB       PHE  61 -15.274  11.768  14.673
  403   2HB   PHE  61          2HB       PHE  61 -14.697  10.176  15.170
  404    HD1  PHE  61           HD1      PHE  61 -16.202   8.293  13.604
  405    HD2  PHE  61           HD2      PHE  61 -14.678  12.138  12.445
  406    HE1  PHE  61           HE1      PHE  61 -16.172   7.566  11.234
  407    HE2  PHE  61           HE2      PHE  61 -14.648  11.411  10.073
  408    HZ   PHE  61           HZ       PHE  61 -15.395   9.125   9.467
  409    H    SER  62           H        SER  62 -18.780   8.853  15.790
  410    HA   SER  62           HA       SER  62 -17.303   7.089  17.619
  411   1HB   SER  62          1HB       SER  62 -19.830   6.021  17.043
  412   2HB   SER  62          2HB       SER  62 -19.432   7.079  18.396
  413    HG   SER  62           HG       SER  62 -20.935   7.591  16.242
  414    H    CYS  63           H        CYS  63 -17.534   4.643  17.234
  415    HA   CYS  63           HA       CYS  63 -16.637   4.032  14.480
  416   1HB   CYS  63          2HB       CYS  63 -16.950   2.114  16.797
  417   2HB   CYS  63          1HB       CYS  63 -15.798   2.040  15.466
  418    H    ARG  64           H        ARG  64 -18.780   4.325  13.451
  419    HA   ARG  64           HA       ARG  64 -20.975   2.535  14.260
  420   1HB   ARG  64          1HB       ARG  64 -20.763   5.004  13.092
  421   2HB   ARG  64          2HB       ARG  64 -21.064   3.985  11.684
  422   1HG   ARG  64          1HG       ARG  64 -23.144   3.259  12.496
  423   2HG   ARG  64          2HG       ARG  64 -22.748   3.685  14.162
  424   1HD   ARG  64          1HD       ARG  64 -23.601   5.768  13.882
  425   2HD   ARG  64          2HD       ARG  64 -22.605   6.026  12.436
  426    HE   ARG  64           HE       ARG  64 -24.462   4.378  11.409
  427   1HH1  ARG  64          1HH1      ARG  64 -26.755   4.318  12.641
  428   2HH1  ARG  64          2HH1      ARG  64 -27.507   5.877  12.589
  429   1HH2  ARG  64          1HH2      ARG  64 -24.586   7.554  11.767
  430   2HH2  ARG  64          2HH2      ARG  64 -26.280   7.708  12.095
  431    H    ALA  65           H        ALA  65 -18.625   2.800  11.596
  432    HA   ALA  65           HA       ALA  65 -19.749   0.523  10.138
  433   1HB   ALA  65          1HB       ALA  65 -17.041   1.854   9.852
  434   2HB   ALA  65          3HB       ALA  65 -18.524   2.555   9.206
  435   3HB   ALA  65          2HB       ALA  65 -17.952   0.998   8.609
  436    H    GLY  66           H        GLY  66 -18.728  -1.552   9.932
  437   1HA   GLY  66          2HA       GLY  66 -17.525  -3.422  10.685
  438   2HA   GLY  66          1HA       GLY  66 -17.652  -2.696  12.287
  439    H    ALA  67           H        ALA  67 -16.063  -1.147   9.548
  440    HA   ALA  67           HA       ALA  67 -13.412  -1.628  10.862
  441   1HB   ALA  67          1HB       ALA  67 -12.644  -0.983   8.472
  442   2HB   ALA  67          3HB       ALA  67 -13.439  -2.545   8.671
  443   3HB   ALA  67          2HB       ALA  67 -14.339  -1.174   8.022
  444    H    CYS  68           H        CYS  68 -14.056   0.255  12.311
  445    HA   CYS  68           HA       CYS  68 -14.337   2.909  11.138
  446   1HB   CYS  68          1HB       CYS  68 -15.345   2.266  13.277
  447   2HB   CYS  68          2HB       CYS  68 -13.752   1.907  13.944
  448    H    ALA  69           H        ALA  69 -11.928   2.108  13.617
  449    HA   ALA  69           HA       ALA  69  -9.664   2.776  13.788
  450   1HB   ALA  69          1HB       ALA  69  -9.703   2.238  10.808
  451   2HB   ALA  69          2HB       ALA  69  -8.367   1.986  11.933
  452   3HB   ALA  69          3HB       ALA  69  -9.786   0.942  12.002
  453    H    ASN  70           H        ASN  70 -11.778   4.814  12.943
  454    HA   ASN  70           HA       ASN  70 -10.206   6.676  11.251
  455   1HB   ASN  70          1HB       ASN  70 -12.952   6.084  11.816
  456   2HB   ASN  70          2HB       ASN  70 -12.655   7.771  12.235
  457   2HD2  ASN  70          2HD2      ASN  70 -14.260   7.001   9.961
  458   1HD2  ASN  70          1HD2      ASN  70 -13.448   7.500   8.556
  459    H    CYS  71           H        CYS  71 -12.134   7.157  14.232
  460    HA   CYS  71           HA       CYS  71 -11.606   8.352  16.208
  461   1HB   CYS  71          2HB       CYS  71  -8.751   8.346  15.216
  462   2HB   CYS  71          1HB       CYS  71  -9.329   8.286  16.879
  463    H    ALA  72           H        ALA  72 -10.558  10.579  16.831
  464    HA   ALA  72           HA       ALA  72 -10.167  12.365  14.493
  465   1HB   ALA  72          1HB       ALA  72 -12.659  11.924  15.774
  466   2HB   ALA  72          3HB       ALA  72 -12.119  13.529  16.268
  467   3HB   ALA  72          2HB       ALA  72 -12.285  13.143  14.555
  468    H    SER  73           H        SER  73  -8.037  12.194  15.852
  469    HA   SER  73           HA       SER  73  -8.074  14.347  17.943
  470   1HB   SER  73          1HB       SER  73  -6.476  11.770  17.779
  471   2HB   SER  73          2HB       SER  73  -6.227  13.016  19.004
  472    HG   SER  73           HG       SER  73  -8.526  11.431  18.553
  473    H    ILE  74           H        ILE  74  -5.835  15.385  18.141
  474    HA   ILE  74           HA       ILE  74  -4.342  15.349  15.547
  475    HB   ILE  74           HB       ILE  74  -5.244  17.748  17.178
  476   1HG1  ILE  74          1HG1      ILE  74  -7.074  16.536  15.972
  477   2HG1  ILE  74          2HG1      ILE  74  -6.806  18.169  15.362
  478   1HG2  ILE  74          1HG2      ILE  74  -3.064  17.925  15.863
  479   2HG2  ILE  74          2HG2      ILE  74  -4.033  17.701  14.407
  480   3HG2  ILE  74          3HG2      ILE  74  -4.309  19.100  15.444
  481   1HD1  ILE  74          1HD1      ILE  74  -5.308  17.166  13.591
  482   2HD1  ILE  74          2HD1      ILE  74  -5.836  15.574  14.133
  483   3HD1  ILE  74          3HD1      ILE  74  -7.003  16.705  13.450
  484    H    VAL  75           H        VAL  75  -2.815  14.013  16.854
  485    HA   VAL  75           HA       VAL  75  -1.587  14.637  19.276
  486    HB   VAL  75           HB       VAL  75  -1.179  12.626  17.934
  487   1HG1  VAL  75          1HG1      VAL  75  -0.806  14.479  15.864
  488   2HG1  VAL  75          2HG1      VAL  75   0.786  13.764  16.119
  489   3HG1  VAL  75          3HG1      VAL  75  -0.596  12.732  15.756
  490   1HG2  VAL  75          1HG2      VAL  75   0.558  13.526  19.585
  491   2HG2  VAL  75          2HG2      VAL  75   1.157  12.389  18.377
  492   3HG2  VAL  75          3HG2      VAL  75   1.441  14.119  18.178
  493    H    LYS  76           H        LYS  76  -0.597  16.522  19.943
  494    HA   LYS  76           HA       LYS  76   0.466  18.412  17.927
  495   1HB   LYS  76          1HB       LYS  76  -0.926  18.739  20.204
  496   2HB   LYS  76          2HB       LYS  76   0.704  18.843  20.871
  497   1HG   LYS  76          1HG       LYS  76   0.519  20.366  18.415
  498   2HG   LYS  76          2HG       LYS  76  -0.722  20.887  19.554
  499   1HD   LYS  76          1HD       LYS  76   0.906  21.341  21.255
  500   2HD   LYS  76          2HD       LYS  76   2.180  20.533  20.340
  501   1HE   LYS  76          1HE       LYS  76   0.723  22.930  19.206
  502   2HE   LYS  76          2HE       LYS  76   2.150  23.116  20.242
  503   1HZ   LYS  76          1HZ       LYS  76   2.414  21.060  18.235
  504   2HZ   LYS  76          2HZ       LYS  76   2.222  22.613  17.578
  505   3HZ   LYS  76          3HZ       LYS  76   3.492  22.301  18.660
  506    H    GLU  77           H        GLU  77   1.635  15.817  19.773
  507    HA   GLU  77           HA       GLU  77   4.319  16.009  18.901
  508   1HB   GLU  77          1HB       GLU  77   3.589  17.900  20.912
  509   2HB   GLU  77          2HB       GLU  77   4.685  16.734  21.652
  510   1HG   GLU  77          1HG       GLU  77   5.474  17.617  18.946
  511   2HG   GLU  77          2HG       GLU  77   5.503  18.887  20.169
  512    H    GLY  78           H        GLY  78   5.163  13.989  19.266
  513   1HA   GLY  78          2HA       GLY  78   3.980  12.387  21.498
  514   2HA   GLY  78          1HA       GLY  78   5.709  12.343  21.150
  515    H    GLU  79           H        GLU  79   4.188   9.993  21.085
  516    HA   GLU  79           HA       GLU  79   3.517   9.423  18.261
  517   1HB   GLU  79          1HB       GLU  79   5.959   9.271  18.339
  518   2HB   GLU  79          2HB       GLU  79   5.872   8.206  19.743
  519   1HG   GLU  79          1HG       GLU  79   4.996   6.421  18.487
  520   2HG   GLU  79          2HG       GLU  79   4.466   7.479  17.180
  521    H    ILE  80           H        ILE  80   2.065   7.706  18.148
  522    HA   ILE  80           HA       ILE  80   1.500   6.262  20.717
  523    HB   ILE  80           HB       ILE  80  -0.291   6.957  18.366
  524   1HG1  ILE  80          1HG1      ILE  80  -0.791   8.100  21.045
  525   2HG1  ILE  80          2HG1      ILE  80   0.681   8.674  20.262
  526   1HG2  ILE  80          1HG2      ILE  80  -0.712   5.481  20.956
  527   2HG2  ILE  80          2HG2      ILE  80  -2.046   6.361  20.210
  528   3HG2  ILE  80          3HG2      ILE  80  -1.256   5.049  19.335
  529   1HD1  ILE  80          1HD1      ILE  80  -1.652   8.538  18.469
  530   2HD1  ILE  80          2HD1      ILE  80  -1.832   9.686  19.796
  531   3HD1  ILE  80          3HD1      ILE  80  -0.472   9.831  18.683
  532    H    ASP  81           H        ASP  81   1.189   4.001  20.607
  533    HA   ASP  81           HA       ASP  81   2.210   2.698  18.127
  534   1HB   ASP  81          1HB       ASP  81   3.093   2.414  20.570
  535   2HB   ASP  81          2HB       ASP  81   1.676   1.388  20.789
  536    H    MET  82           H        MET  82   0.828   1.488  16.865
  537    HA   MET  82           HA       MET  82  -1.732   0.512  18.045
  538   1HB   MET  82          1HB       MET  82  -2.911   1.495  16.058
  539   2HB   MET  82          2HB       MET  82  -2.187   2.717  17.104
  540   1HG   MET  82          1HG       MET  82  -0.551   3.258  15.571
  541   2HG   MET  82          2HG       MET  82  -0.504   1.632  14.891
  542   1HE   MET  82          1HE       MET  82  -0.134   3.548  12.975
  543   2HE   MET  82          2HE       MET  82  -0.730   2.028  12.310
  544   3HE   MET  82          3HE       MET  82  -1.416   3.554  11.754
  545    H    ASP  83           H        ASP  83  -2.904  -0.818  16.191
  546    HA   ASP  83           HA       ASP  83  -1.043  -2.882  15.311
  547   1HB   ASP  83          1HB       ASP  83  -3.826  -2.512  15.786
  548   2HB   ASP  83          2HB       ASP  83  -3.657  -3.040  14.113
  549    H    MET  84           H        MET  84  -0.549  -3.406  13.106
  550    HA   MET  84           HA       MET  84  -0.209  -1.177  11.312
  551   1HB   MET  84          1HB       MET  84  -0.158  -4.130  10.646
  552   2HB   MET  84          2HB       MET  84   0.787  -2.840   9.901
  553   1HG   MET  84          1HG       MET  84   1.563  -2.515  12.461
  554   2HG   MET  84          2HG       MET  84   1.200  -4.240  12.498
  555   1HE   MET  84          1HE       MET  84   3.474  -1.806  12.339
  556   2HE   MET  84          2HE       MET  84   4.899  -2.329  11.445
  557   3HE   MET  84          3HE       MET  84   3.611  -1.466  10.609
  558    H    GLN  85           H        GLN  85  -1.668  -0.358   9.857
  559    HA   GLN  85           HA       GLN  85  -3.675  -2.088   8.577
  560   1HB   GLN  85          1HB       GLN  85  -4.346  -1.171  11.002
  561   2HB   GLN  85          2HB       GLN  85  -4.777   0.260  10.065
  562   1HG   GLN  85          1HG       GLN  85  -6.328  -0.962   8.728
  563   2HG   GLN  85          2HG       GLN  85  -5.698  -2.512   9.282
  564   2HE2  GLN  85          2HE2      GLN  85  -8.077  -2.882   9.896
  565   1HE2  GLN  85          1HE2      GLN  85  -8.607  -2.298  11.398
  566    H    GLN  86           H        GLN  86  -4.886  -0.853   6.895
  567    HA   GLN  86           HA       GLN  86  -3.198   1.009   5.476
  568   1HB   GLN  86          1HB       GLN  86  -5.114  -0.703   4.781
  569   2HB   GLN  86          2HB       GLN  86  -6.135   0.725   4.952
  570   1HG   GLN  86          1HG       GLN  86  -5.391   1.553   2.995
  571   2HG   GLN  86          2HG       GLN  86  -3.716   1.406   3.525
  572   2HE2  GLN  86          2HE2      GLN  86  -3.524  -1.418   3.816
  573   1HE2  GLN  86          1HE2      GLN  86  -3.721  -2.142   2.293
  574    H    ILE  87           H        ILE  87  -4.978   2.952   4.547
  575    HA   ILE  87           HA       ILE  87  -5.820   5.091   5.091
  576    HB   ILE  87           HB       ILE  87  -6.505   3.686   7.692
  577   1HG1  ILE  87          1HG1      ILE  87  -8.698   3.803   5.869
  578   2HG1  ILE  87          2HG1      ILE  87  -7.326   3.097   5.015
  579   1HG2  ILE  87          1HG2      ILE  87  -7.434   6.182   6.296
  580   2HG2  ILE  87          2HG2      ILE  87  -8.537   5.308   7.358
  581   3HG2  ILE  87          3HG2      ILE  87  -7.022   5.950   7.995
  582   1HD1  ILE  87          1HD1      ILE  87  -7.359   1.980   7.634
  583   2HD1  ILE  87          2HD1      ILE  87  -9.003   1.884   7.003
  584   3HD1  ILE  87          3HD1      ILE  87  -7.670   1.158   6.105
  585    H    LEU  88           H        LEU  88  -5.484   6.924   6.709
  586    HA   LEU  88           HA       LEU  88  -4.036   8.227   8.052
  587   1HB   LEU  88          1HB       LEU  88  -4.380   5.707   9.224
  588   2HB   LEU  88          2HB       LEU  88  -2.636   5.969   9.254
  589    HG   LEU  88           HG       LEU  88  -3.603   6.897  11.288
  590   1HD1  LEU  88          1HD1      LEU  88  -2.619   8.815   9.192
  591   2HD1  LEU  88          2HD1      LEU  88  -3.101   9.422  10.775
  592   3HD1  LEU  88          3HD1      LEU  88  -1.800   8.239  10.643
  593   1HD2  LEU  88          1HD2      LEU  88  -5.779   7.480   9.616
  594   2HD2  LEU  88          2HD2      LEU  88  -5.623   7.897  11.323
  595   3HD2  LEU  88          3HD2      LEU  88  -5.136   9.053  10.085
  596    H    SER  89           H        SER  89  -2.536   9.151   6.660
  597    HA   SER  89           HA       SER  89  -0.236   7.457   5.755
  598   1HB   SER  89          1HB       SER  89  -1.927   9.556   4.601
  599   2HB   SER  89          2HB       SER  89  -0.206   9.858   4.357
  600    HG   SER  89           HG       SER  89  -1.828   7.882   3.332
  601    H    ASP  90           H        ASP  90   1.911   8.389   5.925
  602    HA   ASP  90           HA       ASP  90   2.642   9.578   8.337
  603   1HB   ASP  90          1HB       ASP  90   4.262   8.576   6.884
  604   2HB   ASP  90          2HB       ASP  90   3.849   9.670   5.565
  605    H    GLU  91           H        GLU  91   2.154  11.273   5.233
  606    HA   GLU  91           HA       GLU  91   2.611  13.918   6.121
  607   1HB   GLU  91          1HB       GLU  91   2.228  12.931   3.775
  608   2HB   GLU  91          2HB       GLU  91   0.504  13.076   4.120
  609   1HG   GLU  91          1HG       GLU  91   0.533  15.354   3.956
  610   2HG   GLU  91          2HG       GLU  91   2.125  15.486   4.704
  611    H    GLU  92           H        GLU  92  -0.069  11.781   6.720
  612    HA   GLU  92           HA       GLU  92  -2.022  13.831   7.396
  613   1HB   GLU  92          1HB       GLU  92  -2.243  11.308   6.707
  614   2HB   GLU  92          2HB       GLU  92  -2.007  11.002   8.429
  615   1HG   GLU  92          1HG       GLU  92  -4.139  11.578   8.862
  616   2HG   GLU  92          2HG       GLU  92  -3.907  13.143   8.082
  617    H    VAL  93           H        VAL  93   0.223  11.780   9.257
  618    HA   VAL  93           HA       VAL  93  -0.634  12.824  11.843
  619    HB   VAL  93           HB       VAL  93   1.967  11.433  11.170
  620   1HG1  VAL  93          1HG1      VAL  93   1.435  12.254  13.514
  621   2HG1  VAL  93          2HG1      VAL  93   0.094  11.109  13.528
  622   3HG1  VAL  93          3HG1      VAL  93   1.752  10.524  13.385
  623   1HG2  VAL  93          1HG2      VAL  93  -0.728  10.513  10.643
  624   2HG2  VAL  93          2HG2      VAL  93   0.804   9.717  10.286
  625   3HG2  VAL  93          3HG2      VAL  93   0.041   9.495  11.860
  626    H    GLU  94           H        GLU  94   1.617  13.814   9.382
  627    HA   GLU  94           HA       GLU  94   3.089  15.605  11.244
  628   1HB   GLU  94          1HB       GLU  94   3.924  14.073   9.213
  629   2HB   GLU  94          2HB       GLU  94   3.525  15.521   8.286
  630   1HG   GLU  94          1HG       GLU  94   5.118  16.827   9.392
  631   2HG   GLU  94          2HG       GLU  94   5.150  15.768  10.802
  632    H    GLU  95           H        GLU  95   0.847  15.711   8.495
  633    HA   GLU  95           HA       GLU  95   0.811  18.683   8.559
  634   1HB   GLU  95          1HB       GLU  95   0.956  17.295   6.450
  635   2HB   GLU  95          2HB       GLU  95  -0.673  16.713   6.794
  636   1HG   GLU  95          2HG       GLU  95  -1.498  18.550   5.787
  637   2HG   GLU  95          1HG       GLU  95  -0.758  19.535   7.050
  638    H    LYS  96           H        LYS  96  -1.233  15.882   9.267
  639    HA   LYS  96           HA       LYS  96  -3.413  17.723  10.174
  640   1HB   LYS  96          1HB       LYS  96  -3.375  15.489   8.521
  641   2HB   LYS  96          2HB       LYS  96  -3.952  14.843  10.058
  642   1HG   LYS  96          1HG       LYS  96  -5.986  15.662   9.520
  643   2HG   LYS  96          2HG       LYS  96  -5.313  17.274   9.757
  644   1HD   LYS  96          1HD       LYS  96  -4.409  16.610   7.230
  645   2HD   LYS  96          2HD       LYS  96  -6.019  15.889   7.264
  646   1HE   LYS  96          1HE       LYS  96  -6.938  17.940   6.981
  647   2HE   LYS  96          2HE       LYS  96  -6.156  18.499   8.472
  648   1HZ   LYS  96          1HZ       LYS  96  -4.595  18.156   5.988
  649   2HZ   LYS  96          2HZ       LYS  96  -5.480  19.584   6.245
  650   3HZ   LYS  96          3HZ       LYS  96  -4.255  19.137   7.332
  651    H    ASP  97           H        ASP  97  -1.107  15.308  11.216
  652    HA   ASP  97           HA       ASP  97  -0.494  14.643  13.407
  653   1HB   ASP  97          2HB       ASP  97  -2.536  16.582  14.465
  654   2HB   ASP  97          1HB       ASP  97  -0.938  16.200  15.096
  655    H    VAL  98           H        VAL  98  -3.155  13.829  11.913
  656    HA   VAL  98           HA       VAL  98  -4.870  12.978  14.138
  657    HB   VAL  98           HB       VAL  98  -4.822  12.653  11.132
  658   1HG1  VAL  98          1HG1      VAL  98  -6.696  11.400  13.153
  659   2HG1  VAL  98          2HG1      VAL  98  -7.131  11.624  11.458
  660   3HG1  VAL  98          3HG1      VAL  98  -5.771  10.588  11.890
  661   1HG2  VAL  98          1HG2      VAL  98  -6.540  14.137  13.131
  662   2HG2  VAL  98          2HG2      VAL  98  -5.559  14.814  11.832
  663   3HG2  VAL  98          3HG2      VAL  98  -7.024  13.911  11.451
  664    H    ARG  99           H        ARG  99  -5.442  10.615  14.361
  665    HA   ARG  99           HA       ARG  99  -3.876   8.495  13.278
  666   1HB   ARG  99          1HB       ARG  99  -2.487  10.195  15.063
  667   2HB   ARG  99          2HB       ARG  99  -2.795   8.703  15.953
  668   1HG   ARG  99          1HG       ARG  99  -1.800   7.384  14.148
  669   2HG   ARG  99          2HG       ARG  99  -1.569   8.840  13.180
  670   1HD   ARG  99          2HD       ARG  99   0.479   9.014  14.154
  671   2HD   ARG  99          1HD       ARG  99  -0.370   9.432  15.655
  672    HE   ARG  99           HE       ARG  99  -0.144   7.150  16.374
  673   1HH1  ARG  99          1HH1      ARG  99  -0.396   6.652  13.151
  674   2HH1  ARG  99          2HH1      ARG  99   0.946   5.568  12.993
  675   1HH2  ARG  99          1HH2      ARG  99   2.164   6.187  16.180
  676   2HH2  ARG  99          2HH2      ARG  99   2.397   5.308  14.706
  677    H    LEU 100           H        LEU 100  -4.257   6.447  14.438
  678    HA   LEU 100           HA       LEU 100  -6.878   6.119  15.454
  679   1HB   LEU 100          1HB       LEU 100  -4.632   4.578  14.776
  680   2HB   LEU 100          2HB       LEU 100  -4.963   4.170  16.459
  681    HG   LEU 100           HG       LEU 100  -7.489   4.237  15.283
  682   1HD1  LEU 100          1HD1      LEU 100  -5.413   3.562  13.302
  683   2HD1  LEU 100          2HD1      LEU 100  -6.690   2.353  13.445
  684   3HD1  LEU 100          3HD1      LEU 100  -7.097   4.024  13.053
  685   1HD2  LEU 100          1HD2      LEU 100  -5.639   1.873  15.737
  686   2HD2  LEU 100          2HD2      LEU 100  -6.665   2.623  16.960
  687   3HD2  LEU 100          3HD2      LEU 100  -7.395   1.785  15.590
  688    H    THR 101           H        THR 101  -7.665   6.911  17.365
  689    HA   THR 101           HA       THR 101  -5.798   7.313  19.656
  690    HB   THR 101           HB       THR 101  -8.635   8.194  19.735
  691    HG1  THR 101           HG1      THR 101  -6.856   9.665  18.152
  692   1HG2  THR 101          1HG2      THR 101  -6.278   8.770  21.084
  693   2HG2  THR 101          2HG2      THR 101  -6.498  10.165  20.026
  694   3HG2  THR 101          3HG2      THR 101  -7.768   9.712  21.163
  695    H    CYS 102           H        CYS 102  -8.189   5.154  18.515
  696    HA   CYS 102           HA       CYS 102  -8.949   4.268  21.260
  697   1HB   CYS 102          1HB       CYS 102  -9.950   3.147  18.641
  698   2HB   CYS 102          2HB       CYS 102 -10.783   3.222  20.192
  699    H    ILE 103           H        ILE 103  -8.744   1.957  21.780
  700    HA   ILE 103           HA       ILE 103  -7.346   0.049  21.984
  701    HB   ILE 103           HB       ILE 103  -7.606   0.200  18.966
  702   1HG1  ILE 103          1HG1      ILE 103  -9.652  -1.367  20.252
  703   2HG1  ILE 103          2HG1      ILE 103  -9.670   0.270  20.908
  704   1HG2  ILE 103          1HG2      ILE 103  -6.600  -1.759  20.818
  705   2HG2  ILE 103          2HG2      ILE 103  -8.048  -2.394  20.038
  706   3HG2  ILE 103          3HG2      ILE 103  -6.685  -1.854  19.059
  707   1HD1  ILE 103          1HD1      ILE 103  -9.295   0.278  18.019
  708   2HD1  ILE 103          2HD1      ILE 103 -10.782  -0.552  18.477
  709   3HD1  ILE 103          3HD1      ILE 103 -10.508   1.114  18.988
  710    H    GLY 104           H        GLY 104  -5.994   2.752  21.500
  711   1HA   GLY 104          2HA       GLY 104  -3.930   3.287  20.093
  712   2HA   GLY 104          1HA       GLY 104  -3.407   1.649  20.479
  713    H    SER 105           H        SER 105  -1.530   2.367  21.607
  714    HA   SER 105           HA       SER 105  -2.093   3.781  24.195
  715   1HB   SER 105          1HB       SER 105  -1.693   1.435  24.582
  716   2HB   SER 105          2HB       SER 105  -0.301   1.439  23.499
  717    HG   SER 105           HG       SER 105  -0.027   1.641  25.932
  718    HA   PRO 106           HA       PRO 106   1.033   6.597  22.890
  719   1HB   PRO 106          1HB       PRO 106   1.731   7.614  25.335
  720   2HB   PRO 106          2HB       PRO 106   0.218   8.035  24.510
  721   1HG   PRO 106          1HG       PRO 106   0.702   6.109  26.731
  722   2HG   PRO 106          2HG       PRO 106  -0.655   7.214  26.474
  723   1HD   PRO 106          1HD       PRO 106  -0.751   4.533  25.939
  724   2HD   PRO 106          2HD       PRO 106  -1.755   5.740  25.110
  725    H    ALA 107           H        ALA 107   3.020   5.833  22.240
  726    HA   ALA 107           HA       ALA 107   4.546   3.956  23.913
  727   1HB   ALA 107          1HB       ALA 107   5.065   5.290  21.234
  728   2HB   ALA 107          3HB       ALA 107   4.354   3.696  21.478
  729   3HB   ALA 107          2HB       ALA 107   6.039   3.986  21.912
  730    H    ALA 108           H        ALA 108   4.423   7.369  23.423
  731    HA   ALA 108           HA       ALA 108   7.205   7.763  24.415
  732   1HB   ALA 108          1HB       ALA 108   6.663   9.105  22.535
  733   2HB   ALA 108          3HB       ALA 108   6.483  10.203  23.904
  734   3HB   ALA 108          2HB       ALA 108   5.056   9.478  23.161
  735    H    ASP 109           H        ASP 109   7.574   9.080  26.318
  736    HA   ASP 109           HA       ASP 109   5.901   8.579  28.555
  737   1HB   ASP 109          1HB       ASP 109   8.260  10.170  27.830
  738   2HB   ASP 109          2HB       ASP 109   7.320  10.893  29.134
  739    H    GLU 110           H        GLU 110   6.540  11.944  27.675
  740    HA   GLU 110           HA       GLU 110   3.713  12.610  28.262
  741   1HB   GLU 110          1HB       GLU 110   6.358  13.882  28.309
  742   2HB   GLU 110          2HB       GLU 110   5.108  14.931  27.640
  743   1HG   GLU 110          2HG       GLU 110   4.791  15.400  29.872
  744   2HG   GLU 110          1HG       GLU 110   3.748  13.983  29.750
  745    H    VAL 111           H        VAL 111   2.342  12.472  26.509
  746    HA   VAL 111           HA       VAL 111   3.392  13.315  23.827
  747    HB   VAL 111           HB       VAL 111   1.206  11.392  24.681
  748   1HG1  VAL 111          1HG1      VAL 111   2.010  12.492  21.997
  749   2HG1  VAL 111          2HG1      VAL 111   1.326  10.872  22.125
  750   3HG1  VAL 111          3HG1      VAL 111   0.390  12.269  22.662
  751   1HG2  VAL 111          1HG2      VAL 111   4.053  11.159  23.942
  752   2HG2  VAL 111          2HG2      VAL 111   3.034  10.051  24.862
  753   3HG2  VAL 111          3HG2      VAL 111   2.987  10.034  23.099
  754    H    LYS 112           H        LYS 112   2.298  14.962  22.766
  755    HA   LYS 112           HA       LYS 112   0.018  16.228  24.224
  756   1HB   LYS 112          1HB       LYS 112   1.915  17.211  22.066
  757   2HB   LYS 112          2HB       LYS 112   0.664  18.194  22.829
  758   1HG   LYS 112          1HG       LYS 112   1.914  17.228  25.034
  759   2HG   LYS 112          2HG       LYS 112   3.272  17.273  23.909
  760   1HD   LYS 112          1HD       LYS 112   1.417  19.634  24.217
  761   2HD   LYS 112          2HD       LYS 112   2.796  19.408  25.294
  762   1HE   LYS 112          1HE       LYS 112   3.850  18.982  22.730
  763   2HE   LYS 112          2HE       LYS 112   2.765  20.374  22.546
  764   1HZ   LYS 112          1HZ       LYS 112   4.728  20.063  24.760
  765   2HZ   LYS 112          2HZ       LYS 112   5.030  20.969  23.355
  766   3HZ   LYS 112          3HZ       LYS 112   3.787  21.434  24.416
  767    H    ILE 113           H        ILE 113  -1.976  16.450  23.218
  768    HA   ILE 113           HA       ILE 113  -2.306  15.985  20.335
  769    HB   ILE 113           HB       ILE 113  -2.110  13.716  21.211
  770   1HG1  ILE 113          1HG1      ILE 113  -5.044  13.777  21.011
  771   2HG1  ILE 113          2HG1      ILE 113  -4.228  14.664  19.723
  772   1HG2  ILE 113          1HG2      ILE 113  -2.907  14.604  23.561
  773   2HG2  ILE 113          2HG2      ILE 113  -4.506  14.155  22.968
  774   3HG2  ILE 113          3HG2      ILE 113  -3.238  12.935  23.097
  775   1HD1  ILE 113          1HD1      ILE 113  -2.701  12.388  19.881
  776   2HD1  ILE 113          2HD1      ILE 113  -4.308  11.764  20.250
  777   3HD1  ILE 113          3HD1      ILE 113  -4.022  12.625  18.738
  778    H    VAL 114           H        VAL 114  -4.195  16.967  19.618
  779    HA   VAL 114           HA       VAL 114  -5.843  18.357  21.673
  780    HB   VAL 114           HB       VAL 114  -5.961  18.626  18.661
  781   1HG1  VAL 114          1HG1      VAL 114  -7.659  19.734  20.195
  782   2HG1  VAL 114          2HG1      VAL 114  -6.326  20.691  20.843
  783   3HG1  VAL 114          3HG1      VAL 114  -6.768  20.834  19.143
  784   1HG2  VAL 114          1HG2      VAL 114  -3.905  19.657  20.606
  785   2HG2  VAL 114          2HG2      VAL 114  -3.656  18.936  19.016
  786   3HG2  VAL 114          3HG2      VAL 114  -4.297  20.574  19.151
  787    H    TYR 115           H        TYR 115  -8.130  18.039  21.767
  788    HA   TYR 115           HA       TYR 115  -9.086  15.615  20.299
  789   1HB   TYR 115          1HB       TYR 115  -9.943  14.929  22.288
  790   2HB   TYR 115          2HB       TYR 115  -8.890  16.147  22.994
  791    HD1  TYR 115           HD1      TYR 115  -9.812  18.454  23.471
  792    HD2  TYR 115           HD2      TYR 115 -12.307  15.136  22.368
  793    HE1  TYR 115           HE1      TYR 115 -11.790  19.651  24.353
  794    HE2  TYR 115           HE2      TYR 115 -14.290  16.336  23.254
  795    HH   TYR 115           HH       TYR 115 -14.751  18.134  24.926
  796    H    ASN 116           H        ASN 116 -11.583  15.676  20.022
  797    HA   ASN 116           HA       ASN 116 -13.553  16.751  19.243
  798   1HB   ASN 116          1HB       ASN 116 -12.221  18.706  20.764
  799   2HB   ASN 116          2HB       ASN 116 -12.565  19.484  19.223
  800   2HD2  ASN 116          2HD2      ASN 116 -14.516  20.593  19.398
  801   1HD2  ASN 116          1HD2      ASN 116 -15.904  20.009  20.181
  802    H    ALA 117           H        ALA 117 -10.970  16.100  17.673
  803    HA   ALA 117           HA       ALA 117 -10.290  17.782  15.621
  804   1HB   ALA 117          1HB       ALA 117  -9.536  15.461  15.883
  805   2HB   ALA 117          3HB       ALA 117 -11.129  14.880  15.408
  806   3HB   ALA 117          2HB       ALA 117 -10.118  15.724  14.240
  807    H    LYS 118           H        LYS 118 -13.491  16.396  16.098
  808    HA   LYS 118           HA       LYS 118 -14.729  16.503  13.640
  809   1HB   LYS 118          1HB       LYS 118 -16.741  17.209  14.918
  810   2HB   LYS 118          2HB       LYS 118 -15.818  15.985  15.788
  811   1HG   LYS 118          1HG       LYS 118 -15.243  17.427  17.458
  812   2HG   LYS 118          2HG       LYS 118 -15.011  18.774  16.348
  813   1HD   LYS 118          1HD       LYS 118 -17.693  17.698  17.270
  814   2HD   LYS 118          2HD       LYS 118 -16.932  19.181  17.848
  815   1HE   LYS 118          1HE       LYS 118 -16.864  19.874  15.341
  816   2HE   LYS 118          2HE       LYS 118 -18.066  18.591  15.112
  817    H    HIS 119           H        HIS 119 -13.441  19.232  15.434
  818    HA   HIS 119           HA       HIS 119 -14.817  21.346  14.051
  819   1HB   HIS 119          1HB       HIS 119 -12.947  22.676  15.038
  820   2HB   HIS 119          2HB       HIS 119 -13.664  21.569  16.209
  821    HD1  HIS 119           HD1      HIS 119 -10.849  21.385  13.623
  822    HD2  HIS 119           HD2      HIS 119 -11.699  20.125  17.512
  823    HE1  HIS 119           HE1      HIS 119  -8.792  20.159  14.447
  824    H    LEU 120           H        LEU 120 -12.152  19.278  13.200
  825    HA   LEU 120           HA       LEU 120 -10.529  20.656  11.473
  826   1HB   LEU 120          1HB       LEU 120 -11.567  17.966  11.774
  827   2HB   LEU 120          2HB       LEU 120 -11.282  18.331  10.072
  828    HG   LEU 120           HG       LEU 120  -9.099  19.365  11.633
  829   1HD1  LEU 120          1HD1      LEU 120 -10.223  16.885  12.618
  830   2HD1  LEU 120          2HD1      LEU 120  -8.606  16.610  11.972
  831   3HD1  LEU 120          3HD1      LEU 120  -8.855  17.807  13.243
  832   1HD2  LEU 120          1HD2      LEU 120  -9.583  17.465   9.384
  833   2HD2  LEU 120          2HD2      LEU 120  -8.538  18.884   9.450
  834   3HD2  LEU 120          3HD2      LEU 120  -8.020  17.372  10.195
  835    H    ASP 121           H        ASP 121 -10.839  21.923   9.689
  836    HA   ASP 121           HA       ASP 121 -13.439  22.498   8.615
  837   1HB   ASP 121          2HB       ASP 121 -12.142  23.834   7.029
  838   2HB   ASP 121          1HB       ASP 121 -11.406  23.972   8.625
  839    H    TYR 122           H        TYR 122 -11.356  19.854   8.129
  840    HA   TYR 122           HA       TYR 122 -11.987  19.309   5.330
  841   1HB   TYR 122          1HB       TYR 122 -10.097  18.536   7.172
  842   2HB   TYR 122          2HB       TYR 122 -11.133  17.110   7.105
  843    HD1  TYR 122           HD1      TYR 122  -9.477  19.591   4.827
  844    HD2  TYR 122           HD2      TYR 122 -10.786  15.542   5.410
  845    HE1  TYR 122           HE1      TYR 122  -8.451  18.948   2.662
  846    HE2  TYR 122           HE2      TYR 122  -9.761  14.899   3.245
  847    HH   TYR 122           HH       TYR 122  -9.050  15.889   1.183
  848    H    LEU 123           H        LEU 123 -13.435  18.585   8.435
  849    HA   LEU 123           HA       LEU 123 -15.315  16.645   7.149
  850   1HB   LEU 123          1HB       LEU 123 -14.227  17.155   9.892
  851   2HB   LEU 123          2HB       LEU 123 -15.821  16.415   9.760
  852    HG   LEU 123           HG       LEU 123 -14.157  15.099   7.876
  853   1HD1  LEU 123          1HD1      LEU 123 -12.893  15.376  10.621
  854   2HD1  LEU 123          2HD1      LEU 123 -12.395  14.208   9.398
  855   3HD1  LEU 123          3HD1      LEU 123 -12.207  15.935   9.095
  856   1HD2  LEU 123          1HD2      LEU 123 -16.124  14.315   9.373
  857   2HD2  LEU 123          2HD2      LEU 123 -14.821  13.168   9.062
  858   3HD2  LEU 123          3HD2      LEU 123 -14.890  14.029  10.601
  859    H    GLN 124           H        GLN 124 -15.093  19.804   8.610
  860    HA   GLN 124           HA       GLN 124 -17.740  20.261   9.478
  861   1HB   GLN 124          1HB       GLN 124 -15.394  21.664   9.204
  862   2HB   GLN 124          2HB       GLN 124 -16.424  22.459   8.013
  863   1HG   GLN 124          1HG       GLN 124 -17.293  23.627   9.742
  864   2HG   GLN 124          2HG       GLN 124 -18.099  22.129  10.209
  865   2HE2  GLN 124          2HE2      GLN 124 -15.589  24.382  11.083
  866   1HE2  GLN 124          1HE2      GLN 124 -15.041  23.555  12.460
  867    H    ASN 125           H        ASN 125 -16.483  19.950   6.228
  868    HA   ASN 125           HA       ASN 125 -18.550  21.339   4.801
  869   1HB   ASN 125          1HB       ASN 125 -16.187  19.947   4.284
  870   2HB   ASN 125          2HB       ASN 125 -17.427  18.984   3.480
  871   2HD2  ASN 125          2HD2      ASN 125 -16.859  22.532   3.932
  872   1HD2  ASN 125          1HD2      ASN 125 -17.092  22.922   2.296
  873    H    ARG 126           H        ARG 126 -18.557  18.329   6.502
  874    HA   ARG 126           HA       ARG 126 -20.783  17.168   4.960
  875   1HB   ARG 126          1HB       ARG 126 -18.739  16.113   6.336
  876   2HB   ARG 126          2HB       ARG 126 -19.921  16.175   7.644
  877   1HG   ARG 126          1HG       ARG 126 -21.250  14.572   6.694
  878   2HG   ARG 126          2HG       ARG 126 -20.922  15.131   5.053
  879   1HD   ARG 126          1HD       ARG 126 -18.503  14.189   5.512
  880   2HD   ARG 126          2HD       ARG 126 -19.326  13.235   6.760
  881    HE   ARG 126           HE       ARG 126 -20.320  13.275   3.931
  882   1HH1  ARG 126          1HH1      ARG 126 -22.048  11.518   4.469
  883   2HH1  ARG 126          2HH1      ARG 126 -21.330  10.016   4.949
  884   1HH2  ARG 126          1HH2      ARG 126 -18.210  11.402   5.564
  885   2HH2  ARG 126          2HH2      ARG 126 -19.156   9.950   5.571
  886    H    VAL 127           H        VAL 127 -20.836  19.774   6.775
  887    HA   VAL 127           HA       VAL 127 -22.799  19.150   8.834
  888    HB   VAL 127           HB       VAL 127 -21.203  21.011   8.985
  889   1HG1  VAL 127          1HG1      VAL 127 -21.777  21.351   6.292
  890   2HG1  VAL 127          2HG1      VAL 127 -22.561  22.740   7.047
  891   3HG1  VAL 127          3HG1      VAL 127 -20.836  22.464   7.287
  892   1HG2  VAL 127          1HG2      VAL 127 -23.881  21.123   9.608
  893   2HG2  VAL 127          2HG2      VAL 127 -22.686  22.324  10.098
  894   3HG2  VAL 127          3HG2      VAL 127 -23.666  22.591   8.656
  895    H    ILE 128           H        ILE 128 -22.917  20.069   5.449
  896    HA   ILE 128           HA       ILE 128 -25.871  20.495   5.627
  897    HB   ILE 128           HB       ILE 128 -24.516  22.256   4.589
  898   1HG1  ILE 128          1HG1      ILE 128 -25.645  21.047   2.140
  899   2HG1  ILE 128          2HG1      ILE 128 -26.758  21.123   3.506
  900   1HG2  ILE 128          1HG2      ILE 128 -23.516  19.956   2.895
  901   2HG2  ILE 128          2HG2      ILE 128 -23.332  21.640   2.405
  902   3HG2  ILE 128          3HG2      ILE 128 -22.566  21.065   3.886
  903   1HD1  ILE 128          1HD1      ILE 128 -25.741  23.597   3.690
  904   2HD1  ILE 128          2HD1      ILE 128 -25.491  23.341   1.962
  905   3HD1  ILE 128          3HD1      ILE 128 -27.113  23.233   2.645

  No H/Q in entry =         905
  Start of MODEL   17
    1    H2   PRO   1           H2       PRO   1   3.724   8.375  30.682
    2    H3   PRO   1           H3       PRO   1   4.493   7.394  29.523
    3    HA   PRO   1           HA       PRO   1   2.724   7.624  28.219
    4   1HB   PRO   1          1HB       PRO   1   0.637   6.429  29.526
    5   2HB   PRO   1          2HB       PRO   1   1.985   5.518  28.817
    6   1HG   PRO   1          1HG       PRO   1   1.505   6.307  31.651
    7   2HG   PRO   1          2HG       PRO   1   2.144   4.793  30.996
    8   1HD   PRO   1          1HD       PRO   1   3.712   6.735  32.086
    9   2HD   PRO   1          2HD       PRO   1   4.276   5.621  30.824
   10    H    THR   2           H        THR   2   3.000  10.063  29.122
   11    HA   THR   2           HA       THR   2   0.451  10.915  30.439
   12    HB   THR   2           HB       THR   2   3.133  12.280  30.030
   13    HG1  THR   2           HG1      THR   2   3.337  10.755  31.581
   14   1HG2  THR   2          1HG2      THR   2   0.872  13.649  30.213
   15   2HG2  THR   2          2HG2      THR   2   1.033  13.254  31.925
   16   3HG2  THR   2          3HG2      THR   2   2.306  14.157  31.104
   17    H    VAL   3           H        VAL   3  -0.936  11.011  28.606
   18    HA   VAL   3           HA       VAL   3  -0.047  12.590  26.250
   19    HB   VAL   3           HB       VAL   3  -2.645  11.112  26.763
   20   1HG1  VAL   3          1HG1      VAL   3  -1.672  12.725  24.626
   21   2HG1  VAL   3          2HG1      VAL   3  -1.688  11.054  24.059
   22   3HG1  VAL   3          3HG1      VAL   3  -3.167  11.789  24.681
   23   1HG2  VAL   3          1HG2      VAL   3  -0.481   9.739  27.044
   24   2HG2  VAL   3          2HG2      VAL   3  -1.661   9.137  25.879
   25   3HG2  VAL   3          3HG2      VAL   3  -0.232  10.006  25.319
   26    H    GLU   4           H        GLU   4  -0.433  14.777  26.366
   27    HA   GLU   4           HA       GLU   4  -2.496  15.836  28.192
   28   1HB   GLU   4          1HB       GLU   4  -0.062  16.667  27.643
   29   2HB   GLU   4          2HB       GLU   4  -0.835  17.432  26.256
   30   1HG   GLU   4          1HG       GLU   4  -1.869  18.994  27.546
   31   2HG   GLU   4          2HG       GLU   4  -2.265  17.825  28.806
   32    H    TYR   5           H        TYR   5  -4.582  16.031  27.460
   33    HA   TYR   5           HA       TYR   5  -5.097  16.233  24.538
   34   1HB   TYR   5          1HB       TYR   5  -7.399  15.727  25.227
   35   2HB   TYR   5          2HB       TYR   5  -6.286  14.599  26.000
   36    HD1  TYR   5           HD1      TYR   5  -8.351  17.636  26.522
   37    HD2  TYR   5           HD2      TYR   5  -5.963  14.587  28.381
   38    HE1  TYR   5           HE1      TYR   5  -9.184  18.341  28.747
   39    HE2  TYR   5           HE2      TYR   5  -6.796  15.295  30.609
   40    HH   TYR   5           HH       TYR   5  -8.560  16.475  31.619
   41    H    LEU   6           H        LEU   6  -5.744  18.145  23.597
   42    HA   LEU   6           HA       LEU   6  -6.527  20.410  25.405
   43   1HB   LEU   6          1HB       LEU   6  -4.222  20.675  24.714
   44   2HB   LEU   6          2HB       LEU   6  -4.631  20.313  23.040
   45    HG   LEU   6           HG       LEU   6  -5.717  22.383  22.731
   46   1HD1  LEU   6          1HD1      LEU   6  -5.847  22.453  25.747
   47   2HD1  LEU   6          2HD1      LEU   6  -6.090  23.911  24.784
   48   3HD1  LEU   6          3HD1      LEU   6  -7.177  22.535  24.592
   49   1HD2  LEU   6          1HD2      LEU   6  -3.108  22.336  23.493
   50   2HD2  LEU   6          2HD2      LEU   6  -3.938  23.792  22.941
   51   3HD2  LEU   6          3HD2      LEU   6  -3.765  23.476  24.668
   52    H    ASN   7           H        ASN   7  -8.552  21.108  24.861
   53    HA   ASN   7           HA       ASN   7 -10.068  20.227  22.630
   54   1HB   ASN   7          1HB       ASN   7 -10.836  21.269  24.803
   55   2HB   ASN   7          2HB       ASN   7 -10.337  22.831  24.157
   56   2HD2  ASN   7          2HD2      ASN   7 -12.542  23.653  24.037
   57   1HD2  ASN   7          1HD2      ASN   7 -13.656  23.054  22.906
   58    H    TYR   8           H        TYR   8  -9.656  20.682  20.495
   59    HA   TYR   8           HA       TYR   8  -7.912  22.728  19.556
   60   1HB   TYR   8          1HB       TYR   8  -8.355  21.021  18.037
   61   2HB   TYR   8          2HB       TYR   8 -10.068  20.965  18.446
   62    HD1  TYR   8           HD1      TYR   8 -11.573  22.864  17.682
   63    HD2  TYR   8           HD2      TYR   8  -7.572  22.334  16.215
   64    HE1  TYR   8           HE1      TYR   8 -12.098  24.305  15.737
   65    HE2  TYR   8           HE2      TYR   8  -8.095  23.781  14.270
   66    HH   TYR   8           HH       TYR   8 -11.078  24.492  13.259
   67    H    GLU   9           H        GLU   9 -11.282  22.832  20.511
   68    HA   GLU   9           HA       GLU   9 -12.046  25.242  19.138
   69   1HB   GLU   9          1HB       GLU   9 -13.119  23.322  20.941
   70   2HB   GLU   9          2HB       GLU   9 -13.365  24.907  21.676
   71   1HG   GLU   9          1HG       GLU   9 -13.929  24.930  18.811
   72   2HG   GLU   9          2HG       GLU   9 -14.938  23.769  19.674
   73    H    THR  10           H        THR  10 -10.648  24.637  22.367
   74    HA   THR  10           HA       THR  10 -10.771  27.272  23.405
   75    HB   THR  10           HB       THR  10  -8.866  24.944  23.718
   76    HG1  THR  10           HG1      THR  10 -10.838  26.126  25.380
   77   1HG2  THR  10          1HG2      THR  10  -8.542  27.711  24.613
   78   2HG2  THR  10          2HG2      THR  10  -8.520  26.555  25.945
   79   3HG2  THR  10          3HG2      THR  10  -7.376  26.387  24.613
   80    H    LEU  11           H        LEU  11  -8.619  25.826  21.030
   81    HA   LEU  11           HA       LEU  11  -6.557  27.833  21.071
   82   1HB   LEU  11          1HB       LEU  11  -6.016  25.800  20.037
   83   2HB   LEU  11          2HB       LEU  11  -7.566  25.699  19.205
   84    HG   LEU  11           HG       LEU  11  -6.917  27.461  17.667
   85   1HD1  LEU  11          1HD1      LEU  11  -5.585  28.736  19.397
   86   2HD1  LEU  11          2HD1      LEU  11  -4.274  27.583  19.143
   87   3HD1  LEU  11          3HD1      LEU  11  -4.808  28.619  17.819
   88   1HD2  LEU  11          1HD2      LEU  11  -5.657  24.951  17.853
   89   2HD2  LEU  11          2HD2      LEU  11  -5.785  25.966  16.417
   90   3HD2  LEU  11          3HD2      LEU  11  -4.371  26.092  17.463
   91    H    ASP  12           H        ASP  12  -9.516  27.433  19.106
   92    HA   ASP  12           HA       ASP  12  -9.076  29.915  17.621
   93   1HB   ASP  12          1HB       ASP  12 -11.074  27.710  17.813
   94   2HB   ASP  12          2HB       ASP  12 -11.640  29.240  17.143
   95    H    ASP  13           H        ASP  13 -11.380  28.856  20.155
   96    HA   ASP  13           HA       ASP  13 -12.858  31.222  20.465
   97   1HB   ASP  13          1HB       ASP  13 -11.862  29.182  22.476
   98   2HB   ASP  13          2HB       ASP  13 -13.118  30.368  22.828
   99    H    GLN  14           H        GLN  14  -9.803  30.329  22.111
  100    HA   GLN  14           HA       GLN  14  -9.579  32.931  23.426
  101   1HB   GLN  14          1HB       GLN  14  -8.511  30.326  23.637
  102   2HB   GLN  14          2HB       GLN  14  -7.140  31.374  23.274
  103   1HG   GLN  14          1HG       GLN  14  -7.189  31.675  25.553
  104   2HG   GLN  14          2HG       GLN  14  -8.368  32.911  25.111
  105   2HE2  GLN  14          2HE2      GLN  14  -7.921  30.181  27.071
  106   1HE2  GLN  14          1HE2      GLN  14  -9.552  29.823  27.379
  107    H    GLY  15           H        GLY  15  -8.789  31.703  20.315
  108   1HA   GLY  15          2HA       GLY  15  -7.664  34.231  19.471
  109   2HA   GLY  15          1HA       GLY  15  -7.745  32.765  18.492
  110    H    TRP  16           H        TRP  16  -6.331  31.161  20.533
  111    HA   TRP  16           HA       TRP  16  -3.643  32.412  20.679
  112   1HB   TRP  16          1HB       TRP  16  -5.010  29.974  21.817
  113   2HB   TRP  16          2HB       TRP  16  -3.268  30.194  21.963
  114    HD1  TRP  16           HD1      TRP  16  -4.534  33.540  21.997
  115    HE1  TRP  16           HE1      TRP  16  -4.867  34.436  24.391
  116    HE3  TRP  16           HE3      TRP  16  -4.315  29.161  24.613
  117    HZ2  TRP  16           HZ2      TRP  16  -5.020  33.426  27.064
  118    HZ3  TRP  16           HZ3      TRP  16  -4.557  29.156  27.079
  119    HH2  TRP  16           HH2      TRP  16  -4.909  31.280  28.308
  120    H    ASP  17           H        ASP  17  -2.018  30.207  20.494
  121    HA   ASP  17           HA       ASP  17  -2.544  29.024  17.796
  122   1HB   ASP  17          1HB       ASP  17  -1.105  31.105  17.742
  123   2HB   ASP  17          2HB       ASP  17   0.074  30.240  18.729
  124    H    MET  18           H        MET  18  -1.355  27.016  17.443
  125    HA   MET  18           HA       MET  18  -1.037  25.413  19.852
  126   1HB   MET  18          1HB       MET  18  -0.844  25.087  16.881
  127   2HB   MET  18          2HB       MET  18  -0.132  23.836  17.900
  128   1HG   MET  18          1HG       MET  18  -2.890  24.794  18.557
  129   2HG   MET  18          2HG       MET  18  -2.689  23.719  17.174
  130   1HE   MET  18          1HE       MET  18  -3.972  23.834  20.157
  131   2HE   MET  18          2HE       MET  18  -3.481  22.504  21.201
  132   3HE   MET  18          3HE       MET  18  -2.524  23.982  21.163
  133    H    ASP  19           H        ASP  19   1.062  27.436  18.018
  134    HA   ASP  19           HA       ASP  19   3.458  26.130  19.271
  135   1HB   ASP  19          1HB       ASP  19   3.115  27.718  16.707
  136   2HB   ASP  19          2HB       ASP  19   4.663  27.127  17.311
  137    H    ASP  20           H        ASP  20   1.854  29.205  18.506
  138    HA   ASP  20           HA       ASP  20   3.926  30.846  19.750
  139   1HB   ASP  20          1HB       ASP  20   1.604  31.126  18.111
  140   2HB   ASP  20          2HB       ASP  20   1.389  32.159  19.524
  141    H    ASP  21           H        ASP  21   0.459  30.741  20.605
  142    HA   ASP  21           HA       ASP  21   0.921  31.535  23.332
  143   1HB   ASP  21          1HB       ASP  21  -1.173  31.450  21.606
  144   2HB   ASP  21          2HB       ASP  21  -1.538  30.044  22.605
  145    H    ASP  22           H        ASP  22   1.219  28.491  21.771
  146    HA   ASP  22           HA       ASP  22   1.456  26.292  22.625
  147   1HB   ASP  22          1HB       ASP  22   2.958  28.239  24.097
  148   2HB   ASP  22          2HB       ASP  22   2.399  27.007  25.229
  149    H    LEU  23           H        LEU  23  -1.160  26.973  22.820
  150    HA   LEU  23           HA       LEU  23  -2.585  27.272  25.134
  151   1HB   LEU  23          1HB       LEU  23  -2.876  25.329  22.842
  152   2HB   LEU  23          2HB       LEU  23  -4.110  25.451  24.096
  153    HG   LEU  23           HG       LEU  23  -3.343  28.090  23.195
  154   1HD1  LEU  23          1HD1      LEU  23  -3.505  26.030  21.146
  155   2HD1  LEU  23          2HD1      LEU  23  -4.758  27.252  20.926
  156   3HD1  LEU  23          3HD1      LEU  23  -3.060  27.730  20.984
  157   1HD2  LEU  23          1HD2      LEU  23  -5.445  27.409  24.368
  158   2HD2  LEU  23          2HD2      LEU  23  -5.752  28.298  22.876
  159   3HD2  LEU  23          3HD2      LEU  23  -5.937  26.545  22.912
  160    H    PHE  24           H        PHE  24  -1.187  24.137  24.101
  161    HA   PHE  24           HA       PHE  24  -1.959  22.489  26.213
  162   1HB   PHE  24          1HB       PHE  24   0.482  22.754  24.482
  163   2HB   PHE  24          2HB       PHE  24   0.476  21.548  25.767
  164    HD1  PHE  24           HD1      PHE  24  -1.635  19.999  25.886
  165    HD2  PHE  24           HD2      PHE  24  -0.471  22.238  22.411
  166    HE1  PHE  24           HE1      PHE  24  -2.974  18.479  24.457
  167    HE2  PHE  24           HE2      PHE  24  -1.808  20.716  20.981
  168    HZ   PHE  24           HZ       PHE  24  -3.057  18.835  22.005
  169    H    GLU  25           H        GLU  25   0.466  25.029  26.175
  170    HA   GLU  25           HA       GLU  25   1.324  24.349  28.949
  171   1HB   GLU  25          1HB       GLU  25   2.506  25.428  26.568
  172   2HB   GLU  25          2HB       GLU  25   2.665  26.616  27.861
  173   1HG   GLU  25          2HG       GLU  25   4.520  25.354  28.357
  174   2HG   GLU  25          1HG       GLU  25   3.328  24.399  29.238
  175    H    LYS  26           H        LYS  26   0.149  27.176  27.078
  176    HA   LYS  26           HA       LYS  26  -0.095  28.953  29.303
  177   1HB   LYS  26          1HB       LYS  26  -0.087  29.603  26.924
  178   2HB   LYS  26          2HB       LYS  26  -1.628  28.779  26.687
  179   1HG   LYS  26          2HG       LYS  26  -2.449  30.888  27.086
  180   2HG   LYS  26          1HG       LYS  26  -2.304  30.360  28.762
  181   1HD   LYS  26          1HD       LYS  26   0.245  31.345  27.891
  182   2HD   LYS  26          2HD       LYS  26  -0.985  32.546  27.499
  183   1HE   LYS  26          2HE       LYS  26  -0.926  33.176  29.680
  184   2HE   LYS  26          1HE       LYS  26  -1.639  31.603  30.085
  185   1HZ   LYS  26          1HZ       LYS  26   0.636  30.660  29.953
  186   2HZ   LYS  26          2HZ       LYS  26   1.251  32.232  29.765
  187   3HZ   LYS  26          3HZ       LYS  26   0.462  31.795  31.204
  188    H    ALA  27           H        ALA  27  -2.176  26.377  28.137
  189    HA   ALA  27           HA       ALA  27  -4.577  27.217  29.525
  190   1HB   ALA  27          1HB       ALA  27  -4.371  25.628  27.569
  191   2HB   ALA  27          2HB       ALA  27  -3.686  24.442  28.680
  192   3HB   ALA  27          3HB       ALA  27  -5.345  25.000  28.899
  193    H    ALA  28           H        ALA  28  -1.618  25.787  30.547
  194    HA   ALA  28           HA       ALA  28  -2.666  24.365  32.869
  195   1HB   ALA  28          1HB       ALA  28   0.142  25.380  32.371
  196   2HB   ALA  28          3HB       ALA  28  -0.509  23.966  31.543
  197   3HB   ALA  28          2HB       ALA  28  -0.344  23.961  33.299
  198    H    ASP  29           H        ASP  29  -1.736  27.652  32.151
  199    HA   ASP  29           HA       ASP  29  -1.650  28.339  35.056
  200   1HB   ASP  29          1HB       ASP  29  -0.766  29.607  32.471
  201   2HB   ASP  29          2HB       ASP  29  -0.923  30.587  33.929
  202    H    ALA  30           H        ALA  30  -4.044  27.920  32.930
  203    HA   ALA  30           HA       ALA  30  -5.489  30.443  33.656
  204   1HB   ALA  30          1HB       ALA  30  -6.210  28.467  31.490
  205   2HB   ALA  30          3HB       ALA  30  -5.008  29.729  31.222
  206   3HB   ALA  30          2HB       ALA  30  -6.672  30.165  31.612
  207    H    GLY  31           H        GLY  31  -5.768  26.907  33.491
  208   1HA   GLY  31          2HA       GLY  31  -7.788  27.003  35.643
  209   2HA   GLY  31          1HA       GLY  31  -6.995  25.550  35.036
  210    H    LEU  32           H        LEU  32  -7.530  26.143  32.230
  211    HA   LEU  32           HA       LEU  32 -10.210  26.655  31.557
  212   1HB   LEU  32          1HB       LEU  32  -7.958  25.006  30.470
  213   2HB   LEU  32          2HB       LEU  32  -9.547  24.833  29.724
  214    HG   LEU  32           HG       LEU  32  -8.541  27.602  30.235
  215   1HD1  LEU  32          1HD1      LEU  32  -7.268  25.613  28.446
  216   2HD1  LEU  32          2HD1      LEU  32  -7.637  27.168  27.703
  217   3HD1  LEU  32          3HD1      LEU  32  -6.605  27.097  29.131
  218   1HD2  LEU  32          1HD2      LEU  32 -10.530  26.200  28.599
  219   2HD2  LEU  32          2HD2      LEU  32 -10.494  27.884  29.122
  220   3HD2  LEU  32          3HD2      LEU  32  -9.601  27.388  27.683
  221    H    ASP  33           H        ASP  33 -11.602  24.676  30.565
  222    HA   ASP  33           HA       ASP  33 -12.497  23.103  32.834
  223   1HB   ASP  33          1HB       ASP  33 -13.139  23.228  29.879
  224   2HB   ASP  33          2HB       ASP  33 -13.972  22.123  30.972
  225    H    GLY  34           H        GLY  34 -12.290  20.826  33.110
  226   1HA   GLY  34          2HA       GLY  34 -11.064  18.818  33.073
  227   2HA   GLY  34          1HA       GLY  34  -9.848  19.649  32.105
  228    H    GLU  35           H        GLU  35 -13.148  19.683  31.007
  229    HA   GLU  35           HA       GLU  35 -12.968  17.288  29.356
  230   1HB   GLU  35          1HB       GLU  35 -15.041  18.388  30.327
  231   2HB   GLU  35          2HB       GLU  35 -14.835  19.666  29.129
  232   1HG   GLU  35          1HG       GLU  35 -15.128  18.132  27.312
  233   2HG   GLU  35          2HG       GLU  35 -15.001  16.737  28.384
  234    H    ASP  36           H        ASP  36 -11.382  20.185  29.103
  235    HA   ASP  36           HA       ASP  36 -11.332  20.030  26.104
  236   1HB   ASP  36          1HB       ASP  36 -11.127  22.424  27.963
  237   2HB   ASP  36          2HB       ASP  36 -10.973  22.498  26.208
  238    H    TYR  37           H        TYR  37  -9.469  21.151  28.959
  239    HA   TYR  37           HA       TYR  37  -6.983  20.224  27.556
  240   1HB   TYR  37          1HB       TYR  37  -7.023  22.610  27.437
  241   2HB   TYR  37          2HB       TYR  37  -7.597  22.753  29.099
  242    HD1  TYR  37           HD1      TYR  37  -4.701  21.543  27.063
  243    HD2  TYR  37           HD2      TYR  37  -6.068  22.967  30.877
  244    HE1  TYR  37           HE1      TYR  37  -2.357  21.642  27.865
  245    HE2  TYR  37           HE2      TYR  37  -3.724  23.066  31.681
  246    HH   TYR  37           HH       TYR  37  -1.008  22.217  29.530
  247    H    GLY  38           H        GLY  38  -5.646  18.962  28.828
  248   1HA   GLY  38          2HA       GLY  38  -6.602  18.022  31.391
  249   2HA   GLY  38          1HA       GLY  38  -5.222  19.101  31.584
  250    H    THR  39           H        THR  39  -4.491  16.804  32.457
  251    HA   THR  39           HA       THR  39  -2.755  15.668  30.352
  252    HB   THR  39           HB       THR  39  -2.740  14.585  33.107
  253    HG1  THR  39           HG1      THR  39  -1.827  17.214  32.733
  254   1HG2  THR  39          1HG2      THR  39  -0.877  15.358  30.954
  255   2HG2  THR  39          2HG2      THR  39  -0.290  15.680  32.585
  256   3HG2  THR  39          3HG2      THR  39  -0.763  14.044  32.125
  257    H    MET  40           H        MET  40  -3.075  13.658  29.451
  258    HA   MET  40           HA       MET  40  -5.404  12.057  30.438
  259   1HB   MET  40          1HB       MET  40  -4.800  13.116  27.969
  260   2HB   MET  40          2HB       MET  40  -4.206  11.463  27.810
  261   1HG   MET  40          1HG       MET  40  -6.324  10.531  28.186
  262   2HG   MET  40          2HG       MET  40  -6.924  11.983  28.988
  263   1HE   MET  40          1HE       MET  40  -7.305   9.837  26.557
  264   2HE   MET  40          2HE       MET  40  -7.988  10.620  25.125
  265   3HE   MET  40          3HE       MET  40  -6.249  10.370  25.251
  266    H    GLU  41           H        GLU  41  -3.912  11.089  32.104
  267    HA   GLU  41           HA       GLU  41  -1.572   9.582  31.330
  268   1HB   GLU  41          1HB       GLU  41  -2.586  10.537  33.628
  269   2HB   GLU  41          2HB       GLU  41  -3.176   8.879  33.744
  270   1HG   GLU  41          1HG       GLU  41  -0.312   9.369  32.989
  271   2HG   GLU  41          2HG       GLU  41  -0.790   9.487  34.684
  272    H    VAL  42           H        VAL  42  -1.686   7.771  30.059
  273    HA   VAL  42           HA       VAL  42  -4.050   5.951  30.390
  274    HB   VAL  42           HB       VAL  42  -2.154   6.149  28.037
  275   1HG1  VAL  42          1HG1      VAL  42  -3.675   4.151  28.303
  276   2HG1  VAL  42          2HG1      VAL  42  -5.046   5.257  28.207
  277   3HG1  VAL  42          3HG1      VAL  42  -3.957   5.081  26.831
  278   1HG2  VAL  42          1HG2      VAL  42  -3.164   8.372  28.491
  279   2HG2  VAL  42          2HG2      VAL  42  -3.780   7.669  26.997
  280   3HG2  VAL  42          3HG2      VAL  42  -4.765   7.636  28.460
  281    H    ALA  43           H        ALA  43  -3.364   4.343  31.794
  282    HA   ALA  43           HA       ALA  43  -0.832   3.446  32.438
  283   1HB   ALA  43          1HB       ALA  43  -3.519   2.139  32.142
  284   2HB   ALA  43          3HB       ALA  43  -2.130   1.137  32.562
  285   3HB   ALA  43          2HB       ALA  43  -2.601   2.476  33.610
  286    H    GLU  44           H        GLU  44   0.578   1.788  31.608
  287    HA   GLU  44           HA       GLU  44   0.876   1.702  28.753
  288   1HB   GLU  44          1HB       GLU  44   2.221   0.865  31.147
  289   2HB   GLU  44          2HB       GLU  44   2.203  -0.486  30.012
  290   1HG   GLU  44          1HG       GLU  44   2.891   1.369  28.265
  291   2HG   GLU  44          2HG       GLU  44   3.433   2.234  29.704
  292    H    GLY  45           H        GLY  45  -0.362   0.520  27.357
  293   1HA   GLY  45          2HA       GLY  45  -1.195  -2.216  28.159
  294   2HA   GLY  45          1HA       GLY  45  -1.176  -1.594  26.508
  295    H    GLU  46           H        GLU  46  -2.447   0.740  28.547
  296    HA   GLU  46           HA       GLU  46  -5.233  -0.277  28.456
  297   1HB   GLU  46          1HB       GLU  46  -3.817   1.053  30.322
  298   2HB   GLU  46          2HB       GLU  46  -4.491   2.433  29.455
  299   1HG   GLU  46          2HG       GLU  46  -6.332   2.118  30.742
  300   2HG   GLU  46          1HG       GLU  46  -6.669   0.750  29.682
  301    H    TYR  47           H        TYR  47  -6.757   0.538  27.026
  302    HA   TYR  47           HA       TYR  47  -5.937   1.997  24.695
  303   1HB   TYR  47          2HB       TYR  47  -8.734   1.720  25.826
  304   2HB   TYR  47          1HB       TYR  47  -8.267   1.846  24.130
  305    HD1  TYR  47           HD1      TYR  47  -5.936   0.017  24.032
  306    HD2  TYR  47           HD2      TYR  47  -9.731  -0.418  25.997
  307    HE1  TYR  47           HE1      TYR  47  -5.716  -2.451  23.910
  308    HE2  TYR  47           HE2      TYR  47  -9.512  -2.885  25.875
  309    HH   TYR  47           HH       TYR  47  -8.342  -4.566  24.615
  310    H    ILE  48           H        ILE  48  -6.049   4.195  24.234
  311    HA   ILE  48           HA       ILE  48  -5.890   6.149  26.254
  312    HB   ILE  48           HB       ILE  48  -6.752   6.260  23.350
  313   1HG1  ILE  48          1HG1      ILE  48  -4.151   7.328  24.278
  314   2HG1  ILE  48          2HG1      ILE  48  -4.338   5.581  24.415
  315   1HG2  ILE  48          1HG2      ILE  48  -6.442   8.395  25.407
  316   2HG2  ILE  48          2HG2      ILE  48  -5.777   8.724  23.807
  317   3HG2  ILE  48          3HG2      ILE  48  -7.490   8.345  23.989
  318   1HD1  ILE  48          1HD1      ILE  48  -5.414   6.282  21.898
  319   2HD1  ILE  48          2HD1      ILE  48  -3.900   7.175  22.045
  320   3HD1  ILE  48          3HD1      ILE  48  -3.908   5.419  22.210
  321    H    LEU  49           H        LEU  49  -8.694   5.808  24.037
  322    HA   LEU  49           HA       LEU  49 -10.527   7.458  25.273
  323   1HB   LEU  49          1HB       LEU  49 -11.122   6.340  23.273
  324   2HB   LEU  49          2HB       LEU  49 -10.775   4.752  23.957
  325    HG   LEU  49           HG       LEU  49 -12.681   5.130  25.573
  326   1HD1  LEU  49          1HD1      LEU  49 -12.543   7.698  25.079
  327   2HD1  LEU  49          2HD1      LEU  49 -13.577   7.312  23.705
  328   3HD1  LEU  49          3HD1      LEU  49 -14.124   6.965  25.345
  329   1HD2  LEU  49          1HD2      LEU  49 -12.804   3.904  23.307
  330   2HD2  LEU  49          2HD2      LEU  49 -14.329   4.421  24.025
  331   3HD2  LEU  49          3HD2      LEU  49 -13.614   5.353  22.710
  332    H    GLU  50           H        GLU  50  -9.456   4.286  26.423
  333    HA   GLU  50           HA       GLU  50 -11.489   3.906  28.425
  334   1HB   GLU  50          1HB       GLU  50  -9.207   2.604  27.399
  335   2HB   GLU  50          2HB       GLU  50  -8.880   2.834  29.115
  336   1HG   GLU  50          1HG       GLU  50 -11.030   1.787  29.682
  337   2HG   GLU  50          2HG       GLU  50 -11.402   1.595  27.969
  338    H    ALA  51           H        ALA  51  -8.158   5.204  28.634
  339    HA   ALA  51           HA       ALA  51  -8.364   5.965  31.413
  340   1HB   ALA  51          1HB       ALA  51  -6.394   7.528  30.352
  341   2HB   ALA  51          2HB       ALA  51  -6.525   6.285  29.108
  342   3HB   ALA  51          3HB       ALA  51  -6.165   5.831  30.774
  343    H    ALA  52           H        ALA  52  -9.038   7.580  28.354
  344    HA   ALA  52           HA       ALA  52  -9.442  10.216  29.532
  345   1HB   ALA  52          1HB       ALA  52  -9.643   8.854  26.904
  346   2HB   ALA  52          3HB       ALA  52 -10.672  10.271  27.110
  347   3HB   ALA  52          2HB       ALA  52  -8.926  10.415  27.307
  348    H    GLU  53           H        GLU  53 -11.550   7.604  28.378
  349    HA   GLU  53           HA       GLU  53 -14.056   8.875  28.859
  350   1HB   GLU  53          1HB       GLU  53 -13.639   6.791  27.552
  351   2HB   GLU  53          2HB       GLU  53 -13.271   5.947  29.056
  352   1HG   GLU  53          1HG       GLU  53 -15.711   7.154  29.591
  353   2HG   GLU  53          2HG       GLU  53 -15.871   6.659  27.907
  354    H    ALA  54           H        ALA  54 -11.760   7.308  30.995
  355    HA   ALA  54           HA       ALA  54 -13.606   7.074  33.256
  356   1HB   ALA  54          1HB       ALA  54 -10.574   7.022  33.208
  357   2HB   ALA  54          3HB       ALA  54 -11.640   6.246  34.380
  358   3HB   ALA  54          2HB       ALA  54 -11.564   5.645  32.724
  359    H    GLN  55           H        GLN  55 -12.032   9.673  31.796
  360    HA   GLN  55           HA       GLN  55 -11.808  11.184  34.373
  361   1HB   GLN  55          1HB       GLN  55 -10.579  11.470  31.619
  362   2HB   GLN  55          2HB       GLN  55 -10.445  12.730  32.846
  363   1HG   GLN  55          1HG       GLN  55  -9.802  10.202  34.046
  364   2HG   GLN  55          2HG       GLN  55  -8.850  10.390  32.572
  365   2HE2  GLN  55          2HE2      GLN  55  -7.024  10.589  34.285
  366   1HE2  GLN  55          1HE2      GLN  55  -6.718  12.138  34.911
  367    H    GLY  56           H        GLY  56 -13.152  11.291  31.081
  368   1HA   GLY  56          2HA       GLY  56 -14.810  13.632  31.922
  369   2HA   GLY  56          1HA       GLY  56 -15.532  12.253  31.095
  370    H    TYR  57           H        TYR  57 -13.144  11.920  29.334
  371    HA   TYR  57           HA       TYR  57 -13.211  14.433  27.730
  372   1HB   TYR  57          1HB       TYR  57 -11.579  11.904  27.361
  373   2HB   TYR  57          2HB       TYR  57 -11.252  13.488  26.659
  374    HD1  TYR  57           HD1      TYR  57 -12.182  14.923  29.347
  375    HD2  TYR  57           HD2      TYR  57  -9.343  11.846  28.406
  376    HE1  TYR  57           HE1      TYR  57 -10.861  15.525  31.358
  377    HE2  TYR  57           HE2      TYR  57  -8.025  12.441  30.411
  378    HH   TYR  57           HH       TYR  57  -9.127  14.104  32.909
  379    H    ASP  58           H        ASP  58 -15.140  14.356  26.534
  380    HA   ASP  58           HA       ASP  58 -16.034  11.863  25.258
  381   1HB   ASP  58          1HB       ASP  58 -16.948  14.749  25.309
  382   2HB   ASP  58          2HB       ASP  58 -17.770  13.521  24.346
  383    H    TRP  59           H        TRP  59 -15.635  11.309  23.123
  384    HA   TRP  59           HA       TRP  59 -14.134  13.306  21.461
  385   1HB   TRP  59          1HB       TRP  59 -14.008  10.274  21.549
  386   2HB   TRP  59          2HB       TRP  59 -13.028  11.302  20.503
  387    HD1  TRP  59           HD1      TRP  59 -13.715  10.738  24.257
  388    HE1  TRP  59           HE1      TRP  59 -11.592  11.368  25.570
  389    HE3  TRP  59           HE3      TRP  59 -10.777  12.432  20.439
  390    HZ2  TRP  59           HZ2      TRP  59  -8.991  12.432  25.076
  391    HZ3  TRP  59           HZ3      TRP  59  -8.480  13.245  20.892
  392    HH2  TRP  59           HH2      TRP  59  -7.586  13.248  23.206
  393    HA   PRO  60           HA       PRO  60 -17.412  13.003  18.555
  394   1HB   PRO  60          1HB       PRO  60 -16.049  13.778  16.309
  395   2HB   PRO  60          2HB       PRO  60 -16.535  14.910  17.586
  396   1HG   PRO  60          1HG       PRO  60 -13.886  13.636  17.083
  397   2HG   PRO  60          2HG       PRO  60 -14.261  15.291  17.585
  398   1HD   PRO  60          1HD       PRO  60 -13.405  13.363  19.306
  399   2HD   PRO  60          2HD       PRO  60 -14.456  14.708  19.796
  400    H    PHE  61           H        PHE  61 -18.215  11.235  17.481
  401    HA   PHE  61           HA       PHE  61 -16.370   9.052  16.717
  402   1HB   PHE  61          1HB       PHE  61 -18.674   9.021  18.003
  403   2HB   PHE  61          2HB       PHE  61 -19.358   9.057  16.377
  404    HD1  PHE  61           HD1      PHE  61 -17.419   7.481  14.830
  405    HD2  PHE  61           HD2      PHE  61 -18.978   6.825  18.779
  406    HE1  PHE  61           HE1      PHE  61 -16.984   5.050  14.599
  407    HE2  PHE  61           HE2      PHE  61 -18.544   4.394  18.548
  408    HZ   PHE  61           HZ       PHE  61 -17.546   3.507  16.457
  409    H    SER  62           H        SER  62 -15.626   8.931  14.632
  410    HA   SER  62           HA       SER  62 -17.427   9.471  12.370
  411   1HB   SER  62          1HB       SER  62 -15.187  11.282  13.242
  412   2HB   SER  62          2HB       SER  62 -15.606  11.171  11.532
  413    HG   SER  62           HG       SER  62 -17.816  11.593  12.239
  414    H    CYS  63           H        CYS  63 -16.773   7.146  12.137
  415    HA   CYS  63           HA       CYS  63 -14.139   6.924  10.727
  416   1HB   CYS  63          1HB       CYS  63 -15.368   4.956  12.685
  417   2HB   CYS  63          2HB       CYS  63 -13.809   4.779  11.881
  418    H    ARG  64           H        ARG  64 -16.635   7.302   9.429
  419    HA   ARG  64           HA       ARG  64 -18.075   6.302   7.837
  420   1HB   ARG  64          1HB       ARG  64 -15.472   4.764   7.690
  421   2HB   ARG  64          2HB       ARG  64 -16.771   4.527   6.521
  422   1HG   ARG  64          1HG       ARG  64 -16.645   6.795   5.779
  423   2HG   ARG  64          2HG       ARG  64 -15.626   7.257   7.143
  424   1HD   ARG  64          1HD       ARG  64 -14.161   5.216   5.987
  425   2HD   ARG  64          2HD       ARG  64 -14.861   6.036   4.579
  426    HE   ARG  64           HE       ARG  64 -13.261   7.410   6.710
  427   1HH1  ARG  64          1HH1      ARG  64 -15.197   7.769   3.940
  428   2HH1  ARG  64          2HH1      ARG  64 -14.162   8.926   3.175
  429   1HH2  ARG  64          1HH2      ARG  64 -11.664   8.668   5.565
  430   2HH2  ARG  64          2HH2      ARG  64 -12.164   9.438   4.095
  431    H    ALA  65           H        ALA  65 -16.586   3.182   8.257
  432    HA   ALA  65           HA       ALA  65 -18.277   2.128  10.329
  433   1HB   ALA  65          1HB       ALA  65 -20.030   2.701   8.715
  434   2HB   ALA  65          2HB       ALA  65 -19.886   0.946   8.821
  435   3HB   ALA  65          3HB       ALA  65 -19.188   1.806   7.450
  436    H    GLY  66           H        GLY  66 -17.921  -0.170  10.599
  437   1HA   GLY  66          2HA       GLY  66 -16.155  -1.512   8.637
  438   2HA   GLY  66          1HA       GLY  66 -16.965  -2.292   9.996
  439    H    ALA  67           H        ALA  67 -14.054  -0.823   8.925
  440    HA   ALA  67           HA       ALA  67 -12.718  -1.533  11.449
  441   1HB   ALA  67          1HB       ALA  67 -11.379  -0.087   9.199
  442   2HB   ALA  67          2HB       ALA  67 -12.021  -1.696   8.868
  443   3HB   ALA  67          3HB       ALA  67 -10.813  -1.472  10.132
  444    H    CYS  68           H        CYS  68 -11.174   0.117  12.428
  445    HA   CYS  68           HA       CYS  68 -12.335   2.882  12.294
  446   1HB   CYS  68          1HB       CYS  68 -12.207   0.966  14.411
  447   2HB   CYS  68          2HB       CYS  68 -11.141   2.307  14.833
  448    H    ALA  69           H        ALA  69 -10.233   2.439  10.626
  449    HA   ALA  69           HA       ALA  69  -7.690   2.993  12.035
  450   1HB   ALA  69          1HB       ALA  69  -6.941   2.991   9.542
  451   2HB   ALA  69          3HB       ALA  69  -7.515   1.473  10.233
  452   3HB   ALA  69          2HB       ALA  69  -8.581   2.435   9.207
  453    H    ASN  70           H        ASN  70  -9.730   5.043  12.276
  454    HA   ASN  70           HA       ASN  70  -8.191   7.358  11.443
  455   1HB   ASN  70          1HB       ASN  70 -10.132   6.180   9.648
  456   2HB   ASN  70          2HB       ASN  70 -10.631   7.813  10.090
  457   2HD2  ASN  70          2HD2      ASN  70  -8.877   6.222   7.779
  458   1HD2  ASN  70          1HD2      ASN  70  -7.754   7.430   7.382
  459    H    CYS  71           H        CYS  71  -8.503   7.962  13.654
  460    HA   CYS  71           HA       CYS  71 -11.224   8.191  14.757
  461   1HB   CYS  71          1HB       CYS  71  -8.671   7.771  15.721
  462   2HB   CYS  71          2HB       CYS  71  -8.971   9.451  16.164
  463    H    ALA  72           H        ALA  72 -10.391  10.673  16.259
  464    HA   ALA  72           HA       ALA  72 -10.436  12.717  14.090
  465   1HB   ALA  72          1HB       ALA  72 -12.667  11.777  15.656
  466   2HB   ALA  72          3HB       ALA  72 -12.359  13.473  16.032
  467   3HB   ALA  72          2HB       ALA  72 -12.660  12.981  14.365
  468    H    SER  73           H        SER  73  -8.182  12.731  15.291
  469    HA   SER  73           HA       SER  73  -8.360  14.795  17.450
  470   1HB   SER  73          1HB       SER  73  -6.687  12.264  17.362
  471   2HB   SER  73          2HB       SER  73  -6.478  13.540  18.562
  472    HG   SER  73           HG       SER  73  -9.042  12.531  18.157
  473    H    ILE  74           H        ILE  74  -5.840  15.506  17.809
  474    HA   ILE  74           HA       ILE  74  -4.467  15.708  15.173
  475    HB   ILE  74           HB       ILE  74  -5.220  18.038  16.965
  476   1HG1  ILE  74          1HG1      ILE  74  -7.159  17.012  15.771
  477   2HG1  ILE  74          2HG1      ILE  74  -6.807  18.646  15.213
  478   1HG2  ILE  74          1HG2      ILE  74  -3.074  18.152  15.568
  479   2HG2  ILE  74          2HG2      ILE  74  -4.123  18.110  14.150
  480   3HG2  ILE  74          3HG2      ILE  74  -4.249  19.440  15.301
  481   1HD1  ILE  74          1HD1      ILE  74  -5.656  16.207  13.841
  482   2HD1  ILE  74          2HD1      ILE  74  -7.224  16.878  13.394
  483   3HD1  ILE  74          3HD1      ILE  74  -5.767  17.855  13.222
  484    H    VAL  75           H        VAL  75  -3.277  14.100  16.779
  485    HA   VAL  75           HA       VAL  75  -1.889  14.660  19.062
  486    HB   VAL  75           HB       VAL  75  -1.789  12.628  17.560
  487   1HG1  VAL  75          1HG1      VAL  75  -0.958  14.372  15.651
  488   2HG1  VAL  75          2HG1      VAL  75   0.597  13.743  16.196
  489   3HG1  VAL  75          3HG1      VAL  75  -0.636  12.639  15.586
  490   1HG2  VAL  75          1HG2      VAL  75   0.085  13.620  19.383
  491   2HG2  VAL  75          2HG2      VAL  75  -0.037  11.955  18.814
  492   3HG2  VAL  75          3HG2      VAL  75   1.053  13.084  18.010
  493    H    LYS  76           H        LYS  76  -0.805  16.504  19.653
  494    HA   LYS  76           HA       LYS  76   0.535  18.168  17.603
  495   1HB   LYS  76          1HB       LYS  76  -0.976  18.913  19.575
  496   2HB   LYS  76          2HB       LYS  76   0.433  18.606  20.590
  497   1HG   LYS  76          1HG       LYS  76   1.276  20.102  18.294
  498   2HG   LYS  76          2HG       LYS  76  -0.115  20.913  19.012
  499   1HD   LYS  76          1HD       LYS  76   1.237  20.343  21.265
  500   2HD   LYS  76          2HD       LYS  76   2.598  20.434  20.148
  501   1HE   LYS  76          1HE       LYS  76   0.502  22.602  20.126
  502   2HE   LYS  76          2HE       LYS  76   1.809  22.638  21.324
  503   1HZ   LYS  76          1HZ       LYS  76   2.666  21.940  18.657
  504   2HZ   LYS  76          2HZ       LYS  76   2.030  23.509  18.769
  505   3HZ   LYS  76          3HZ       LYS  76   3.336  23.052  19.751
  506    H    GLU  77           H        GLU  77   1.352  15.608  19.692
  507    HA   GLU  77           HA       GLU  77   4.139  15.654  19.002
  508   1HB   GLU  77          1HB       GLU  77   3.297  17.447  21.049
  509   2HB   GLU  77          2HB       GLU  77   4.212  16.159  21.832
  510   1HG   GLU  77          1HG       GLU  77   5.284  17.388  19.311
  511   2HG   GLU  77          2HG       GLU  77   5.473  18.253  20.837
  512    H    GLY  78           H        GLY  78   5.173  13.742  19.749
  513   1HA   GLY  78          2HA       GLY  78   3.637  12.033  21.645
  514   2HA   GLY  78          1HA       GLY  78   5.345  11.833  21.257
  515    H    GLU  79           H        GLU  79   3.079   9.892  21.063
  516    HA   GLU  79           HA       GLU  79   2.405   9.451  18.296
  517   1HB   GLU  79          1HB       GLU  79   4.849   9.184  18.149
  518   2HB   GLU  79          2HB       GLU  79   4.808   7.985  19.441
  519   1HG   GLU  79          1HG       GLU  79   4.307   6.356  17.971
  520   2HG   GLU  79          2HG       GLU  79   2.913   7.266  17.388
  521    H    ILE  80           H        ILE  80   1.078   7.565  18.092
  522    HA   ILE  80           HA       ILE  80   0.495   6.172  20.685
  523    HB   ILE  80           HB       ILE  80  -1.310   6.647  18.295
  524   1HG1  ILE  80          1HG1      ILE  80  -1.116   8.192  20.899
  525   2HG1  ILE  80          2HG1      ILE  80  -0.580   8.783  19.326
  526   1HG2  ILE  80          1HG2      ILE  80  -1.811   4.759  19.938
  527   2HG2  ILE  80          2HG2      ILE  80  -2.031   6.008  21.164
  528   3HG2  ILE  80          3HG2      ILE  80  -3.085   5.963  19.750
  529   1HD1  ILE  80          1HD1      ILE  80  -3.331   7.753  19.310
  530   2HD1  ILE  80          2HD1      ILE  80  -3.109   9.138  20.378
  531   3HD1  ILE  80          3HD1      ILE  80  -2.696   9.268  18.668
  532    H    ASP  81           H        ASP  81   0.106   3.892  20.578
  533    HA   ASP  81           HA       ASP  81   1.351   2.558  18.226
  534   1HB   ASP  81          1HB       ASP  81   1.632   2.290  20.942
  535   2HB   ASP  81          2HB       ASP  81   0.485   0.999  20.583
  536    H    MET  82           H        MET  82   0.218   0.948  17.052
  537    HA   MET  82           HA       MET  82  -2.534   0.214  17.804
  538   1HB   MET  82          1HB       MET  82  -2.980   2.336  16.810
  539   2HB   MET  82          2HB       MET  82  -1.812   2.061  15.520
  540   1HG   MET  82          2HG       MET  82  -3.976   1.709  14.552
  541   2HG   MET  82          1HG       MET  82  -3.275   0.108  14.782
  542   1HE   MET  82          1HE       MET  82  -5.927   1.195  14.201
  543   2HE   MET  82          2HE       MET  82  -6.779  -0.212  14.832
  544   3HE   MET  82          3HE       MET  82  -7.120   1.399  15.481
  545    H    ASP  83           H        ASP  83  -3.014  -1.794  16.932
  546    HA   ASP  83           HA       ASP  83  -1.130  -3.514  15.824
  547   1HB   ASP  83          1HB       ASP  83  -3.107  -4.811  15.088
  548   2HB   ASP  83          2HB       ASP  83  -3.367  -4.123  16.690
  549    H    MET  84           H        MET  84  -0.431  -4.001  13.715
  550    HA   MET  84           HA       MET  84  -0.265  -1.998  11.750
  551   1HB   MET  84          1HB       MET  84   0.269  -4.842  12.069
  552   2HB   MET  84          2HB       MET  84  -0.219  -4.469  10.416
  553   1HG   MET  84          1HG       MET  84   1.504  -2.393  11.019
  554   2HG   MET  84          2HG       MET  84   2.251  -3.764  11.842
  555   1HE   MET  84          1HE       MET  84   3.045  -5.663  11.056
  556   2HE   MET  84          2HE       MET  84   1.828  -6.394  10.013
  557   3HE   MET  84          3HE       MET  84   3.465  -6.113   9.405
  558    H    GLN  85           H        GLN  85  -1.524  -1.486   9.917
  559    HA   GLN  85           HA       GLN  85  -3.826  -3.093   9.119
  560   1HB   GLN  85          1HB       GLN  85  -4.020  -1.051  11.185
  561   2HB   GLN  85          2HB       GLN  85  -5.075  -0.682   9.821
  562   1HG   GLN  85          1HG       GLN  85  -5.908  -3.072   9.945
  563   2HG   GLN  85          2HG       GLN  85  -5.012  -3.232  11.455
  564   2HE2  GLN  85          2HE2      GLN  85  -7.072  -0.584  10.104
  565   1HE2  GLN  85          1HE2      GLN  85  -8.066  -0.463  11.474
  566    H    GLN  86           H        GLN  86  -3.745   0.439   9.113
  567    HA   GLN  86           HA       GLN  86  -3.531   0.364   6.136
  568   1HB   GLN  86          1HB       GLN  86  -5.458   1.433   7.444
  569   2HB   GLN  86          2HB       GLN  86  -4.300   2.668   7.942
  570   1HG   GLN  86          1HG       GLN  86  -3.794   3.037   5.484
  571   2HG   GLN  86          2HG       GLN  86  -5.163   1.987   5.119
  572   2HE2  GLN  86          2HE2      GLN  86  -7.082   2.761   6.960
  573   1HE2  GLN  86          1HE2      GLN  86  -7.461   4.404   6.773
  574    H    ILE  87           H        ILE  87  -2.012   1.741   5.064
  575    HA   ILE  87           HA       ILE  87   0.403   2.368   6.661
  576    HB   ILE  87           HB       ILE  87  -0.205   2.520   3.690
  577   1HG1  ILE  87          1HG1      ILE  87   1.567   0.392   4.482
  578   2HG1  ILE  87          2HG1      ILE  87   0.065   0.276   5.399
  579   1HG2  ILE  87          1HG2      ILE  87   2.075   3.309   5.301
  580   2HG2  ILE  87          2HG2      ILE  87   2.523   2.037   4.165
  581   3HG2  ILE  87          3HG2      ILE  87   1.805   3.535   3.573
  582   1HD1  ILE  87          1HD1      ILE  87  -0.963   0.802   2.966
  583   2HD1  ILE  87          2HD1      ILE  87   0.528   0.000   2.471
  584   3HD1  ILE  87          3HD1      ILE  87  -0.621  -0.841   3.510
  585    H    LEU  88           H        LEU  88  -0.488   4.255   7.806
  586    HA   LEU  88           HA       LEU  88  -1.627   6.526   6.474
  587   1HB   LEU  88          1HB       LEU  88  -1.033   5.648   9.072
  588   2HB   LEU  88          2HB       LEU  88  -0.102   7.133   8.878
  589    HG   LEU  88           HG       LEU  88  -2.415   7.956   7.785
  590   1HD1  LEU  88          1HD1      LEU  88  -3.033   5.505   9.316
  591   2HD1  LEU  88          2HD1      LEU  88  -4.047   6.894   9.707
  592   3HD1  LEU  88          3HD1      LEU  88  -3.962   6.304   8.047
  593   1HD2  LEU  88          1HD2      LEU  88  -1.477   7.876  10.639
  594   2HD2  LEU  88          2HD2      LEU  88  -1.543   9.245   9.529
  595   3HD2  LEU  88          3HD2      LEU  88  -3.028   8.622  10.251
  596    H    SER  89           H        SER  89  -0.466   8.722   6.482
  597    HA   SER  89           HA       SER  89   2.366   8.374   5.549
  598   1HB   SER  89          1HB       SER  89  -0.008   9.929   4.573
  599   2HB   SER  89          2HB       SER  89   1.606  10.569   4.263
  600    HG   SER  89           HG       SER  89   2.070   8.373   3.457
  601    H    ASP  90           H        ASP  90   3.884   9.819   6.404
  602    HA   ASP  90           HA       ASP  90   3.462  11.066   8.898
  603   1HB   ASP  90          1HB       ASP  90   5.449  11.198   6.677
  604   2HB   ASP  90          2HB       ASP  90   5.538  12.455   7.910
  605    H    GLU  91           H        GLU  91   3.125  12.385   5.625
  606    HA   GLU  91           HA       GLU  91   2.834  15.134   6.223
  607   1HB   GLU  91          1HB       GLU  91   1.426  13.388   4.173
  608   2HB   GLU  91          2HB       GLU  91   1.540  15.146   4.093
  609   1HG   GLU  91          1HG       GLU  91   3.950  15.045   3.908
  610   2HG   GLU  91          2HG       GLU  91   3.947  13.307   4.212
  611    H    GLU  92           H        GLU  92   0.577  12.453   6.597
  612    HA   GLU  92           HA       GLU  92  -1.786  14.067   7.051
  613   1HB   GLU  92          1HB       GLU  92  -1.256  11.458   6.547
  614   2HB   GLU  92          2HB       GLU  92  -1.490  11.378   8.293
  615   1HG   GLU  92          1HG       GLU  92  -3.718  11.861   8.145
  616   2HG   GLU  92          2HG       GLU  92  -3.484  13.000   6.821
  617    H    VAL  93           H        VAL  93   0.659  12.583   9.183
  618    HA   VAL  93           HA       VAL  93  -0.671  13.519  11.619
  619    HB   VAL  93           HB       VAL  93   0.908  11.458  11.103
  620   1HG1  VAL  93          1HG1      VAL  93   2.732  13.369  10.552
  621   2HG1  VAL  93          2HG1      VAL  93   3.045  13.163  12.275
  622   3HG1  VAL  93          3HG1      VAL  93   3.177  11.783  11.185
  623   1HG2  VAL  93          1HG2      VAL  93  -0.051  12.620  13.379
  624   2HG2  VAL  93          2HG2      VAL  93   0.897  11.134  13.355
  625   3HG2  VAL  93          3HG2      VAL  93   1.685  12.678  13.678
  626    H    GLU  94           H        GLU  94   1.190  15.018   9.249
  627    HA   GLU  94           HA       GLU  94   2.375  16.995  11.155
  628   1HB   GLU  94          1HB       GLU  94   3.499  15.651   9.104
  629   2HB   GLU  94          2HB       GLU  94   2.883  17.043   8.214
  630   1HG   GLU  94          1HG       GLU  94   4.271  17.647  10.770
  631   2HG   GLU  94          2HG       GLU  94   5.287  17.033   9.466
  632    H    GLU  95           H        GLU  95   0.410  16.750   8.183
  633    HA   GLU  95           HA       GLU  95  -0.308  19.607   8.284
  634   1HB   GLU  95          1HB       GLU  95   0.087  18.028   6.243
  635   2HB   GLU  95          2HB       GLU  95  -1.553  17.462   6.564
  636   1HG   GLU  95          1HG       GLU  95  -1.924  20.158   6.675
  637   2HG   GLU  95          2HG       GLU  95  -0.627  20.059   5.485
  638    H    LYS  96           H        LYS  96  -1.661  16.495   9.200
  639    HA   LYS  96           HA       LYS  96  -4.133  17.893  10.173
  640   1HB   LYS  96          1HB       LYS  96  -3.769  15.004   9.314
  641   2HB   LYS  96          2HB       LYS  96  -5.294  15.806   9.688
  642   1HG   LYS  96          1HG       LYS  96  -3.914  17.373   7.728
  643   2HG   LYS  96          2HG       LYS  96  -3.936  15.698   7.179
  644   1HD   LYS  96          1HD       LYS  96  -6.246  15.629   7.049
  645   2HD   LYS  96          2HD       LYS  96  -6.458  16.834   8.319
  646   1HE   LYS  96          1HE       LYS  96  -5.595  18.585   6.738
  647   2HE   LYS  96          2HE       LYS  96  -5.556  17.353   5.462
  648   1HZ   LYS  96          1HZ       LYS  96  -7.957  16.887   6.296
  649   2HZ   LYS  96          2HZ       LYS  96  -7.871  18.470   6.904
  650   3HZ   LYS  96          3HZ       LYS  96  -7.682  18.188   5.240
  651    H    ASP  97           H        ASP  97  -1.422  15.861  10.947
  652    HA   ASP  97           HA       ASP  97  -0.752  14.828  12.971
  653   1HB   ASP  97          2HB       ASP  97  -2.490  16.907  14.295
  654   2HB   ASP  97          1HB       ASP  97  -0.894  16.335  14.776
  655    H    VAL  98           H        VAL  98  -3.377  13.961  11.741
  656    HA   VAL  98           HA       VAL  98  -5.203  13.438  13.944
  657    HB   VAL  98           HB       VAL  98  -4.994  12.074  11.246
  658   1HG1  VAL  98          1HG1      VAL  98  -7.128  12.438  13.334
  659   2HG1  VAL  98          2HG1      VAL  98  -7.584  12.226  11.643
  660   3HG1  VAL  98          3HG1      VAL  98  -6.659  10.973  12.471
  661   1HG2  VAL  98          1HG2      VAL  98  -5.221  14.828  11.710
  662   2HG2  VAL  98          2HG2      VAL  98  -5.629  13.982  10.217
  663   3HG2  VAL  98          3HG2      VAL  98  -6.875  14.289  11.426
  664    H    ARG  99           H        ARG  99  -5.679  11.260  14.777
  665    HA   ARG  99           HA       ARG  99  -3.790   9.073  14.275
  666   1HB   ARG  99          1HB       ARG  99  -3.163  11.085  16.157
  667   2HB   ARG  99          2HB       ARG  99  -3.665   9.684  17.103
  668   1HG   ARG  99          1HG       ARG  99  -1.575   9.665  14.901
  669   2HG   ARG  99          2HG       ARG  99  -1.238   9.615  16.632
  670   1HD   ARG  99          1HD       ARG  99  -2.423   7.471  16.830
  671   2HD   ARG  99          2HD       ARG  99  -2.853   7.532  15.110
  672    HE   ARG  99           HE       ARG  99  -0.008   7.883  15.452
  673   1HH1  ARG  99          1HH1      ARG  99  -2.322   5.467  16.170
  674   2HH1  ARG  99          2HH1      ARG  99  -1.406   4.176  15.467
  675   1HH2  ARG  99          1HH2      ARG  99   1.098   6.252  14.266
  676   2HH2  ARG  99          2HH2      ARG  99   0.530   4.620  14.389
  677    H    LEU 100           H        LEU 100  -4.258   7.916  16.950
  678    HA   LEU 100           HA       LEU 100  -7.217   7.450  16.791
  679   1HB   LEU 100          1HB       LEU 100  -4.921   5.684  16.475
  680   2HB   LEU 100          2HB       LEU 100  -6.013   5.113  17.738
  681    HG   LEU 100           HG       LEU 100  -7.859   5.727  15.918
  682   1HD1  LEU 100          1HD1      LEU 100  -5.401   6.065  14.502
  683   2HD1  LEU 100          2HD1      LEU 100  -6.210   4.641  13.848
  684   3HD1  LEU 100          3HD1      LEU 100  -7.044   6.195  13.874
  685   1HD2  LEU 100          1HD2      LEU 100  -6.950   3.438  16.962
  686   2HD2  LEU 100          2HD2      LEU 100  -8.085   3.452  15.611
  687   3HD2  LEU 100          3HD2      LEU 100  -6.363   3.215  15.314
  688    H    THR 101           H        THR 101  -8.083   8.229  18.664
  689    HA   THR 101           HA       THR 101  -6.482   8.134  21.176
  690    HB   THR 101           HB       THR 101  -7.480  10.264  20.473
  691    HG1  THR 101           HG1      THR 101  -9.053  10.381  22.353
  692   1HG2  THR 101          1HG2      THR 101  -9.673   8.533  19.771
  693   2HG2  THR 101          2HG2      THR 101 -10.245   9.803  20.852
  694   3HG2  THR 101          3HG2      THR 101  -9.425  10.228  19.349
  695    H    CYS 102           H        CYS 102  -8.539   6.123  19.587
  696    HA   CYS 102           HA       CYS 102 -10.025   5.266  22.035
  697   1HB   CYS 102          1HB       CYS 102 -11.413   4.048  20.341
  698   2HB   CYS 102          2HB       CYS 102 -11.348   5.784  20.043
  699    H    ILE 103           H        ILE 103 -10.129   2.674  20.072
  700    HA   ILE 103           HA       ILE 103  -8.568   0.940  21.621
  701    HB   ILE 103           HB       ILE 103  -9.311   0.927  18.681
  702   1HG1  ILE 103          1HG1      ILE 103 -10.638  -0.986  20.400
  703   2HG1  ILE 103          2HG1      ILE 103 -10.812   0.643  21.053
  704   1HG2  ILE 103          1HG2      ILE 103  -8.228  -1.306  20.427
  705   2HG2  ILE 103          2HG2      ILE 103  -8.917  -1.537  18.820
  706   3HG2  ILE 103          3HG2      ILE 103  -7.435  -0.602  19.017
  707   1HD1  ILE 103          1HD1      ILE 103 -11.206   0.980  18.315
  708   2HD1  ILE 103          2HD1      ILE 103 -12.028  -0.538  18.673
  709   3HD1  ILE 103          3HD1      ILE 103 -12.470   0.931  19.544
  710    H    GLY 104           H        GLY 104  -6.518   1.987  22.085
  711   1HA   GLY 104          2HA       GLY 104  -4.703   2.984  20.147
  712   2HA   GLY 104          1HA       GLY 104  -4.369   1.265  20.351
  713    H    SER 105           H        SER 105  -2.309   1.750  21.338
  714    HA   SER 105           HA       SER 105  -2.559   2.751  24.156
  715   1HB   SER 105          2HB       SER 105  -0.749   1.178  24.643
  716   2HB   SER 105          1HB       SER 105  -2.040   0.328  23.792
  717    HG   SER 105           HG       SER 105   0.461   0.449  23.102
  718    HA   PRO 106           HA       PRO 106   0.324   5.896  23.095
  719   1HB   PRO 106          1HB       PRO 106   1.425   6.361  25.556
  720   2HB   PRO 106          2HB       PRO 106  -0.211   6.885  25.113
  721   1HG   PRO 106          2HG       PRO 106   0.666   4.540  26.726
  722   2HG   PRO 106          1HG       PRO 106  -0.733   5.599  26.945
  723   1HD   PRO 106          1HD       PRO 106  -0.858   3.096  25.830
  724   2HD   PRO 106          2HD       PRO 106  -2.025   4.393  25.495
  725    H    ALA 107           H        ALA 107   2.508   6.018  22.479
  726    HA   ALA 107           HA       ALA 107   4.249   3.722  23.323
  727   1HB   ALA 107          1HB       ALA 107   3.263   4.274  20.852
  728   2HB   ALA 107          3HB       ALA 107   4.766   5.194  20.795
  729   3HB   ALA 107          2HB       ALA 107   4.805   3.459  21.111
  730    H    ALA 108           H        ALA 108   3.884   7.140  23.241
  731    HA   ALA 108           HA       ALA 108   6.803   7.513  23.828
  732   1HB   ALA 108          1HB       ALA 108   6.309   8.765  21.910
  733   2HB   ALA 108          3HB       ALA 108   6.060   9.958  23.184
  734   3HB   ALA 108          2HB       ALA 108   4.676   9.140  22.460
  735    H    ASP 109           H        ASP 109   7.320   8.961  25.593
  736    HA   ASP 109           HA       ASP 109   5.712   8.723  27.931
  737   1HB   ASP 109          1HB       ASP 109   8.159  10.063  27.012
  738   2HB   ASP 109          2HB       ASP 109   7.336  10.936  28.304
  739    H    GLU 110           H        GLU 110   6.579  11.947  26.755
  740    HA   GLU 110           HA       GLU 110   3.916  12.951  27.522
  741   1HB   GLU 110          1HB       GLU 110   6.583  13.893  27.368
  742   2HB   GLU 110          2HB       GLU 110   5.654  14.858  26.221
  743   1HG   GLU 110          1HG       GLU 110   4.057  15.472  27.939
  744   2HG   GLU 110          2HG       GLU 110   4.806  14.365  29.089
  745    H    VAL 111           H        VAL 111   2.340  12.515  25.990
  746    HA   VAL 111           HA       VAL 111   2.993  13.108  23.121
  747    HB   VAL 111           HB       VAL 111   0.907  11.280  24.363
  748   1HG1  VAL 111          1HG1      VAL 111   0.376  12.283  22.098
  749   2HG1  VAL 111          2HG1      VAL 111   1.817  11.476  21.479
  750   3HG1  VAL 111          3HG1      VAL 111   0.477  10.523  22.115
  751   1HG2  VAL 111          1HG2      VAL 111   3.738  10.938  23.694
  752   2HG2  VAL 111          2HG2      VAL 111   2.678   9.900  24.648
  753   3HG2  VAL 111          3HG2      VAL 111   2.702   9.758  22.890
  754    H    LYS 112           H        LYS 112   2.046  14.996  22.446
  755    HA   LYS 112           HA       LYS 112  -0.307  16.051  23.936
  756   1HB   LYS 112          2HB       LYS 112   1.461  17.278  21.796
  757   2HB   LYS 112          1HB       LYS 112   0.303  18.140  22.812
  758   1HG   LYS 112          1HG       LYS 112   1.757  16.911  24.731
  759   2HG   LYS 112          2HG       LYS 112   2.997  17.073  23.488
  760   1HD   LYS 112          1HD       LYS 112   2.316  19.517  23.298
  761   2HD   LYS 112          2HD       LYS 112   1.349  19.274  24.753
  762   1HE   LYS 112          1HE       LYS 112   3.192  19.363  26.083
  763   2HE   LYS 112          2HE       LYS 112   4.075  18.230  25.041
  764   1HZ   LYS 112          1HZ       LYS 112   3.512  20.895  23.977
  765   2HZ   LYS 112          2HZ       LYS 112   4.711  20.787  25.175
  766   3HZ   LYS 112          3HZ       LYS 112   4.866  19.900  23.735
  767    H    ILE 113           H        ILE 113  -2.279  16.482  22.886
  768    HA   ILE 113           HA       ILE 113  -2.575  16.079  19.993
  769    HB   ILE 113           HB       ILE 113  -2.524  13.786  20.796
  770   1HG1  ILE 113          1HG1      ILE 113  -5.468  14.293  20.558
  771   2HG1  ILE 113          2HG1      ILE 113  -4.423  14.710  19.200
  772   1HG2  ILE 113          1HG2      ILE 113  -4.190  14.962  22.956
  773   2HG2  ILE 113          2HG2      ILE 113  -4.616  13.328  22.450
  774   3HG2  ILE 113          3HG2      ILE 113  -2.990  13.673  23.036
  775   1HD1  ILE 113          1HD1      ILE 113  -3.742  12.099  20.279
  776   2HD1  ILE 113          2HD1      ILE 113  -5.440  12.167  19.807
  777   3HD1  ILE 113          3HD1      ILE 113  -4.183  12.541  18.629
  778    H    VAL 114           H        VAL 114  -4.345  17.223  19.263
  779    HA   VAL 114           HA       VAL 114  -5.986  18.639  21.299
  780    HB   VAL 114           HB       VAL 114  -6.127  18.953  18.299
  781   1HG1  VAL 114          1HG1      VAL 114  -7.717  20.191  19.741
  782   2HG1  VAL 114          2HG1      VAL 114  -6.359  20.900  20.614
  783   3HG1  VAL 114          3HG1      VAL 114  -6.612  21.286  18.911
  784   1HG2  VAL 114          1HG2      VAL 114  -4.033  20.143  20.146
  785   2HG2  VAL 114          2HG2      VAL 114  -3.731  18.944  18.889
  786   3HG2  VAL 114          3HG2      VAL 114  -4.260  20.567  18.450
  787    H    TYR 115           H        TYR 115  -8.001  17.847  21.806
  788    HA   TYR 115           HA       TYR 115  -9.118  15.676  20.147
  789   1HB   TYR 115          1HB       TYR 115  -9.997  14.996  22.130
  790   2HB   TYR 115          2HB       TYR 115  -8.917  16.186  22.842
  791    HD1  TYR 115           HD1      TYR 115  -9.795  18.530  23.281
  792    HD2  TYR 115           HD2      TYR 115 -12.350  15.234  22.259
  793    HE1  TYR 115           HE1      TYR 115 -11.750  19.778  24.155
  794    HE2  TYR 115           HE2      TYR 115 -14.308  16.482  23.133
  795    HH   TYR 115           HH       TYR 115 -14.161  18.961  25.141
  796    H    ASN 116           H        ASN 116 -11.709  15.824  20.146
  797    HA   ASN 116           HA       ASN 116 -13.637  16.859  19.280
  798   1HB   ASN 116          1HB       ASN 116 -12.049  19.023  20.506
  799   2HB   ASN 116          2HB       ASN 116 -13.173  19.562  19.264
  800   2HD2  ASN 116          2HD2      ASN 116 -13.916  20.446  21.689
  801   1HD2  ASN 116          1HD2      ASN 116 -15.163  19.515  22.366
  802    H    ALA 117           H        ALA 117 -11.336  16.080  17.547
  803    HA   ALA 117           HA       ALA 117 -10.629  17.887  15.541
  804   1HB   ALA 117          1HB       ALA 117  -9.829  15.603  15.626
  805   2HB   ALA 117          2HB       ALA 117 -11.461  14.978  15.390
  806   3HB   ALA 117          3HB       ALA 117 -10.645  15.827  14.078
  807    H    LYS 118           H        LYS 118 -13.802  16.604  16.227
  808    HA   LYS 118           HA       LYS 118 -15.188  16.738  13.836
  809   1HB   LYS 118          1HB       LYS 118 -17.110  17.299  15.216
  810   2HB   LYS 118          2HB       LYS 118 -16.050  16.246  16.152
  811   1HG   LYS 118          2HG       LYS 118 -15.992  17.827  17.754
  812   2HG   LYS 118          1HG       LYS 118 -15.136  18.875  16.624
  813   1HD   LYS 118          1HD       LYS 118 -17.081  20.089  17.332
  814   2HD   LYS 118          2HD       LYS 118 -17.415  19.529  15.693
  815   1HE   LYS 118          2HE       LYS 118 -19.279  18.510  16.491
  816   2HE   LYS 118          1HE       LYS 118 -18.236  17.445  17.452
  817    H    HIS 119           H        HIS 119 -13.699  19.406  15.562
  818    HA   HIS 119           HA       HIS 119 -15.126  21.595  14.425
  819   1HB   HIS 119          1HB       HIS 119 -13.059  22.831  15.050
  820   2HB   HIS 119          2HB       HIS 119 -13.562  21.723  16.326
  821    HD1  HIS 119           HD1      HIS 119 -11.292  21.551  13.248
  822    HD2  HIS 119           HD2      HIS 119 -11.435  20.196  17.193
  823    HE1  HIS 119           HE1      HIS 119  -9.152  20.255  13.639
  824    H    LEU 120           H        LEU 120 -12.632  19.487  13.124
  825    HA   LEU 120           HA       LEU 120 -11.504  20.945  11.045
  826   1HB   LEU 120          1HB       LEU 120 -11.545  18.363  11.843
  827   2HB   LEU 120          2HB       LEU 120 -12.546  18.230  10.397
  828    HG   LEU 120           HG       LEU 120 -10.590  19.733   9.365
  829   1HD1  LEU 120          1HD1      LEU 120  -9.432  19.799  11.614
  830   2HD1  LEU 120          2HD1      LEU 120  -9.145  18.067  11.443
  831   3HD1  LEU 120          3HD1      LEU 120  -8.429  19.197  10.294
  832   1HD2  LEU 120          1HD2      LEU 120 -11.281  16.962   9.397
  833   2HD2  LEU 120          2HD2      LEU 120 -10.445  17.859   8.131
  834   3HD2  LEU 120          3HD2      LEU 120  -9.522  17.081   9.416
  835    H    ASP 121           H        ASP 121 -12.137  20.687   8.619
  836    HA   ASP 121           HA       ASP 121 -14.768  21.869   8.234
  837   1HB   ASP 121          2HB       ASP 121 -14.014  22.072   5.961
  838   2HB   ASP 121          1HB       ASP 121 -12.591  22.308   6.974
  839    H    TYR 122           H        TYR 122 -13.593  18.641   8.360
  840    HA   TYR 122           HA       TYR 122 -15.344  17.352   6.487
  841   1HB   TYR 122          1HB       TYR 122 -13.402  16.246   7.389
  842   2HB   TYR 122          2HB       TYR 122 -13.960  16.493   9.043
  843    HD1  TYR 122           HD1      TYR 122 -15.844  15.189   9.951
  844    HD2  TYR 122           HD2      TYR 122 -14.357  14.514   5.978
  845    HE1  TYR 122           HE1      TYR 122 -17.073  13.036   9.857
  846    HE2  TYR 122           HE2      TYR 122 -15.585  12.362   5.883
  847    HH   TYR 122           HH       TYR 122 -18.033  11.558   7.825
  848    H    LEU 123           H        LEU 123 -15.880  18.683   9.666
  849    HA   LEU 123           HA       LEU 123 -18.627  17.468   9.683
  850   1HB   LEU 123          1HB       LEU 123 -16.498  17.341  11.542
  851   2HB   LEU 123          2HB       LEU 123 -17.700  18.421  12.252
  852    HG   LEU 123           HG       LEU 123 -19.047  16.184  11.050
  853   1HD1  LEU 123          1HD1      LEU 123 -16.527  15.580  12.475
  854   2HD1  LEU 123          2HD1      LEU 123 -17.935  14.682  13.041
  855   3HD1  LEU 123          3HD1      LEU 123 -17.450  14.585  11.349
  856   1HD2  LEU 123          1HD2      LEU 123 -19.841  17.661  12.905
  857   2HD2  LEU 123          2HD2      LEU 123 -19.948  15.947  13.305
  858   3HD2  LEU 123          3HD2      LEU 123 -18.637  16.925  13.963
  859    H    GLN 124           H        GLN 124 -16.705  20.363   9.834
  860    HA   GLN 124           HA       GLN 124 -18.557  22.160  11.055
  861   1HB   GLN 124          1HB       GLN 124 -16.134  22.540  10.559
  862   2HB   GLN 124          2HB       GLN 124 -16.536  22.650   8.844
  863   1HG   GLN 124          1HG       GLN 124 -16.628  24.892   9.397
  864   2HG   GLN 124          2HG       GLN 124 -18.296  24.440   9.748
  865   2HE2  GLN 124          2HE2      GLN 124 -16.103  26.366  11.046
  866   1HE2  GLN 124          1HE2      GLN 124 -16.308  26.063  12.704
  867    H    ASN 125           H        ASN 125 -18.676  20.538   8.024
  868    HA   ASN 125           HA       ASN 125 -19.947  22.305   6.273
  869   1HB   ASN 125          1HB       ASN 125 -19.296  19.997   5.753
  870   2HB   ASN 125          2HB       ASN 125 -20.532  19.383   6.852
  871   2HD2  ASN 125          2HD2      ASN 125 -21.797  18.331   5.189
  872   1HD2  ASN 125          1HD2      ASN 125 -22.632  19.208   3.998
  873    H    ARG 126           H        ARG 126 -21.198  20.937   9.240
  874    HA   ARG 126           HA       ARG 126 -23.903  22.072   8.612
  875   1HB   ARG 126          1HB       ARG 126 -22.871  19.642   9.940
  876   2HB   ARG 126          2HB       ARG 126 -24.214  20.421  10.779
  877   1HG   ARG 126          1HG       ARG 126 -24.803  20.424   7.981
  878   2HG   ARG 126          2HG       ARG 126 -24.308  18.791   8.430
  879   1HD   ARG 126          1HD       ARG 126 -26.011  18.639  10.114
  880   2HD   ARG 126          2HD       ARG 126 -26.351  20.377  10.018
  881    HE   ARG 126           HE       ARG 126 -26.912  19.780   7.510
  882   1HH1  ARG 126          1HH1      ARG 126 -26.641  16.810   8.222
  883   2HH1  ARG 126          2HH1      ARG 126 -28.303  16.377   8.445
  884   1HH2  ARG 126          1HH2      ARG 126 -29.403  19.657   8.686
  885   2HH2  ARG 126          2HH2      ARG 126 -29.867  17.988   8.704
  886    H    VAL 127           H        VAL 127 -22.036  23.933   9.441
  887    HA   VAL 127           HA       VAL 127 -21.517  24.390  12.134
  888    HB   VAL 127           HB       VAL 127 -21.561  26.762  11.496
  889   1HG1  VAL 127          1HG1      VAL 127 -20.041  24.826  10.320
  890   2HG1  VAL 127          2HG1      VAL 127 -20.775  25.573   8.901
  891   3HG1  VAL 127          3HG1      VAL 127 -19.829  26.551  10.023
  892   1HG2  VAL 127          1HG2      VAL 127 -23.372  25.695   9.344
  893   2HG2  VAL 127          2HG2      VAL 127 -23.587  27.108  10.377
  894   3HG2  VAL 127          3HG2      VAL 127 -22.428  27.154   9.048
  895    H    ILE 128           H        ILE 128 -22.754  26.071  13.550
  896    HA   ILE 128           HA       ILE 128 -25.524  25.104  13.879
  897    HB   ILE 128           HB       ILE 128 -25.332  26.549  15.949
  898   1HG1  ILE 128          1HG1      ILE 128 -22.412  26.825  15.344
  899   2HG1  ILE 128          2HG1      ILE 128 -23.530  27.990  14.635
  900   1HG2  ILE 128          1HG2      ILE 128 -23.578  24.268  15.223
  901   2HG2  ILE 128          2HG2      ILE 128 -23.131  25.147  16.686
  902   3HG2  ILE 128          3HG2      ILE 128 -24.734  24.424  16.545
  903   1HD1  ILE 128          1HD1      ILE 128 -23.799  27.350  17.548
  904   2HD1  ILE 128          2HD1      ILE 128 -22.483  28.408  17.039
  905   3HD1  ILE 128          3HD1      ILE 128 -24.155  28.852  16.696

  No H/Q in entry =         905
  Start of MODEL   18
    1    H2   PRO   1           H2       PRO   1   3.616   7.310  31.479
    2    H3   PRO   1           H3       PRO   1   4.684   6.474  30.453
    3    HA   PRO   1           HA       PRO   1   3.454   7.132  28.735
    4   1HB   PRO   1          1HB       PRO   1   1.027   5.906  29.022
    5   2HB   PRO   1          2HB       PRO   1   2.509   5.025  28.610
    6   1HG   PRO   1          2HG       PRO   1   1.122   5.293  31.232
    7   2HG   PRO   1          1HG       PRO   1   1.926   3.887  30.521
    8   1HD   PRO   1          1HD       PRO   1   3.050   5.467  32.447
    9   2HD   PRO   1          2HD       PRO   1   3.991   4.540  31.262
   10    H    THR   2           H        THR   2   3.268   9.413  29.295
   11    HA   THR   2           HA       THR   2   0.662  10.185  30.563
   12    HB   THR   2           HB       THR   2   3.384  11.497  30.368
   13    HG1  THR   2           HG1      THR   2   2.680  11.523  32.770
   14   1HG2  THR   2          1HG2      THR   2   0.792  12.745  30.524
   15   2HG2  THR   2          2HG2      THR   2   1.669  13.010  32.031
   16   3HG2  THR   2          3HG2      THR   2   2.383  13.505  30.497
   17    H    VAL   3           H        VAL   3  -0.744  11.441  29.360
   18    HA   VAL   3           HA       VAL   3   0.223  12.425  26.693
   19    HB   VAL   3           HB       VAL   3  -2.474  11.277  27.491
   20   1HG1  VAL   3          1HG1      VAL   3  -1.404  12.597  25.034
   21   2HG1  VAL   3          2HG1      VAL   3  -2.490  11.225  24.817
   22   3HG1  VAL   3          3HG1      VAL   3  -3.030  12.643  25.714
   23   1HG2  VAL   3          1HG2      VAL   3  -0.111  10.145  25.978
   24   2HG2  VAL   3          2HG2      VAL   3  -0.893   9.484  27.413
   25   3HG2  VAL   3          3HG2      VAL   3  -1.730   9.455  25.860
   26    H    GLU   4           H        GLU   4  -1.190  14.267  25.875
   27    HA   GLU   4           HA       GLU   4  -2.387  15.865  28.107
   28   1HB   GLU   4          1HB       GLU   4   0.116  16.270  27.046
   29   2HB   GLU   4          2HB       GLU   4  -0.869  17.345  26.053
   30   1HG   GLU   4          1HG       GLU   4  -1.802  18.374  28.096
   31   2HG   GLU   4          2HG       GLU   4  -0.817  17.298  29.087
   32    H    TYR   5           H        TYR   5  -4.510  16.033  27.445
   33    HA   TYR   5           HA       TYR   5  -5.107  16.354  24.545
   34   1HB   TYR   5          1HB       TYR   5  -7.394  15.814  25.271
   35   2HB   TYR   5          2HB       TYR   5  -6.259  14.635  25.926
   36    HD1  TYR   5           HD1      TYR   5  -8.401  17.538  26.713
   37    HD2  TYR   5           HD2      TYR   5  -5.755  14.550  28.302
   38    HE1  TYR   5           HE1      TYR   5  -9.156  18.091  29.010
   39    HE2  TYR   5           HE2      TYR   5  -6.509  15.104  30.599
   40    HH   TYR   5           HH       TYR   5  -7.780  16.426  31.846
   41    H    LEU   6           H        LEU   6  -5.705  18.325  23.735
   42    HA   LEU   6           HA       LEU   6  -6.410  20.490  25.688
   43   1HB   LEU   6          1HB       LEU   6  -4.166  20.732  24.733
   44   2HB   LEU   6          2HB       LEU   6  -4.809  20.548  23.107
   45    HG   LEU   6           HG       LEU   6  -5.404  22.732  22.984
   46   1HD1  LEU   6          1HD1      LEU   6  -6.486  22.320  25.764
   47   2HD1  LEU   6          2HD1      LEU   6  -6.345  23.945  25.098
   48   3HD1  LEU   6          3HD1      LEU   6  -7.353  22.748  24.289
   49   1HD2  LEU   6          1HD2      LEU   6  -3.129  22.531  24.387
   50   2HD2  LEU   6          2HD2      LEU   6  -3.852  24.089  23.983
   51   3HD2  LEU   6          3HD2      LEU   6  -4.107  23.384  25.580
   52    H    ASN   7           H        ASN   7  -8.509  21.101  25.399
   53    HA   ASN   7           HA       ASN   7 -10.328  20.288  23.473
   54   1HB   ASN   7          1HB       ASN   7 -10.637  21.650  25.607
   55   2HB   ASN   7          2HB       ASN   7 -10.217  23.073  24.653
   56   2HD2  ASN   7          2HD2      ASN   7 -12.417  23.945  24.883
   57   1HD2  ASN   7          1HD2      ASN   7 -13.718  23.269  24.027
   58    H    TYR   8           H        TYR   8  -9.989  20.374  21.273
   59    HA   TYR   8           HA       TYR   8  -8.372  22.233  19.867
   60   1HB   TYR   8          1HB       TYR   8  -9.225  20.061  19.020
   61   2HB   TYR   8          2HB       TYR   8 -10.857  20.728  18.979
   62    HD1  TYR   8           HD1      TYR   8 -11.087  23.026  17.660
   63    HD2  TYR   8           HD2      TYR   8  -7.926  20.174  17.086
   64    HE1  TYR   8           HE1      TYR   8 -10.640  23.973  15.412
   65    HE2  TYR   8           HE2      TYR   8  -7.479  21.123  14.838
   66    HH   TYR   8           HH       TYR   8  -8.086  22.615  13.320
   67    H    GLU   9           H        GLU   9 -11.729  22.429  20.941
   68    HA   GLU   9           HA       GLU   9 -12.582  24.645  19.353
   69   1HB   GLU   9          1HB       GLU   9 -13.687  22.968  21.175
   70   2HB   GLU   9          2HB       GLU   9 -13.495  24.409  22.175
   71   1HG   GLU   9          1HG       GLU   9 -14.772  25.742  20.617
   72   2HG   GLU   9          2HG       GLU   9 -14.804  24.428  19.441
   73    H    THR  10           H        THR  10 -10.979  24.500  22.541
   74    HA   THR  10           HA       THR  10 -10.969  27.311  23.074
   75    HB   THR  10           HB       THR  10  -8.927  25.193  23.830
   76    HG1  THR  10           HG1      THR  10 -10.544  25.418  25.769
   77   1HG2  THR  10          1HG2      THR  10  -8.345  27.569  24.346
   78   2HG2  THR  10          2HG2      THR  10  -9.830  27.692  25.288
   79   3HG2  THR  10          3HG2      THR  10  -8.555  26.581  25.792
   80    H    LEU  11           H        LEU  11  -9.017  25.285  20.996
   81    HA   LEU  11           HA       LEU  11  -6.765  27.043  20.649
   82   1HB   LEU  11          1HB       LEU  11  -7.251  24.525  20.030
   83   2HB   LEU  11          2HB       LEU  11  -7.848  25.212  18.519
   84    HG   LEU  11           HG       LEU  11  -5.074  25.517  19.702
   85   1HD1  LEU  11          1HD1      LEU  11  -5.608  23.418  18.440
   86   2HD1  LEU  11          2HD1      LEU  11  -6.018  24.409  17.041
   87   3HD1  LEU  11          3HD1      LEU  11  -4.367  24.398  17.659
   88   1HD2  LEU  11          1HD2      LEU  11  -6.518  27.024  17.536
   89   2HD2  LEU  11          2HD2      LEU  11  -5.446  27.642  18.794
   90   3HD2  LEU  11          3HD2      LEU  11  -4.777  26.770  17.414
   91    H    ASP  12           H        ASP  12  -9.750  26.558  18.731
   92    HA   ASP  12           HA       ASP  12  -9.139  28.769  16.919
   93   1HB   ASP  12          1HB       ASP  12 -10.569  26.540  16.689
   94   2HB   ASP  12          2HB       ASP  12 -11.865  27.573  17.294
   95    H    ASP  13           H        ASP  13 -11.567  28.214  19.498
   96    HA   ASP  13           HA       ASP  13 -12.857  30.707  19.476
   97   1HB   ASP  13          1HB       ASP  13 -13.316  28.603  20.841
   98   2HB   ASP  13          2HB       ASP  13 -12.046  29.139  21.941
   99    H    GLN  14           H        GLN  14  -9.855  29.791  21.188
  100    HA   GLN  14           HA       GLN  14  -9.447  32.474  22.273
  101   1HB   GLN  14          1HB       GLN  14  -8.709  30.317  23.317
  102   2HB   GLN  14          2HB       GLN  14  -7.565  30.108  21.992
  103   1HG   GLN  14          1HG       GLN  14  -6.205  31.148  23.564
  104   2HG   GLN  14          2HG       GLN  14  -6.813  32.554  22.689
  105   2HE2  GLN  14          2HE2      GLN  14  -6.410  31.335  25.795
  106   1HE2  GLN  14          1HE2      GLN  14  -7.590  32.257  26.596
  107    H    GLY  15           H        GLY  15  -8.427  30.686  19.416
  108   1HA   GLY  15          2HA       GLY  15  -7.388  33.161  18.228
  109   2HA   GLY  15          1HA       GLY  15  -7.528  31.602  17.416
  110    H    TRP  16           H        TRP  16  -6.074  29.944  19.072
  111    HA   TRP  16           HA       TRP  16  -3.400  31.224  19.408
  112   1HB   TRP  16          1HB       TRP  16  -4.343  30.017  21.305
  113   2HB   TRP  16          2HB       TRP  16  -4.612  28.591  20.305
  114    HD1  TRP  16           HD1      TRP  16  -1.742  30.733  21.712
  115    HE1  TRP  16           HE1      TRP  16   0.365  29.257  21.881
  116    HE3  TRP  16           HE3      TRP  16  -3.475  26.458  19.517
  117    HZ2  TRP  16           HZ2      TRP  16   1.206  26.616  21.180
  118    HZ3  TRP  16           HZ3      TRP  16  -2.002  24.480  19.283
  119    HH2  TRP  16           HH2      TRP  16   0.334  24.553  20.110
  120    H    ASP  17           H        ASP  17  -1.576  30.414  18.302
  121    HA   ASP  17           HA       ASP  17  -2.149  28.877  15.839
  122   1HB   ASP  17          1HB       ASP  17  -0.658  31.037  16.303
  123   2HB   ASP  17          2HB       ASP  17   0.568  29.824  16.671
  124    H    MET  18           H        MET  18  -0.593  27.070  15.271
  125    HA   MET  18           HA       MET  18  -0.584  24.979  17.168
  126   1HB   MET  18          1HB       MET  18   0.707  25.643  14.579
  127   2HB   MET  18          2HB       MET  18   1.489  24.363  15.508
  128   1HG   MET  18          1HG       MET  18  -0.088  22.940  14.760
  129   2HG   MET  18          2HG       MET  18  -1.284  23.856  15.676
  130   1HE   MET  18          1HE       MET  18   0.565  23.070  12.763
  131   2HE   MET  18          2HE       MET  18  -0.914  22.609  11.923
  132   3HE   MET  18          3HE       MET  18   0.007  24.023  11.390
  133    H    ASP  19           H        ASP  19   1.538  27.706  16.877
  134    HA   ASP  19           HA       ASP  19   3.092  26.736  19.217
  135   1HB   ASP  19          1HB       ASP  19   3.968  26.662  16.479
  136   2HB   ASP  19          2HB       ASP  19   4.955  27.826  17.363
  137    H    ASP  20           H        ASP  20   1.158  28.892  18.918
  138    HA   ASP  20           HA       ASP  20   2.622  31.410  18.650
  139   1HB   ASP  20          1HB       ASP  20   0.297  31.266  18.009
  140   2HB   ASP  20          2HB       ASP  20  -0.151  30.622  19.589
  141    H    ASP  21           H        ASP  21   0.472  31.139  21.370
  142    HA   ASP  21           HA       ASP  21   2.567  32.055  23.183
  143   1HB   ASP  21          1HB       ASP  21   0.234  32.890  23.179
  144   2HB   ASP  21          2HB       ASP  21  -0.331  31.278  23.614
  145    H    ASP  22           H        ASP  22   0.378  29.938  24.704
  146    HA   ASP  22           HA       ASP  22   2.110  27.562  24.533
  147   1HB   ASP  22          1HB       ASP  22   1.890  29.405  26.914
  148   2HB   ASP  22          2HB       ASP  22   2.271  27.698  27.138
  149    H    LEU  23           H        LEU  23  -0.524  27.966  23.765
  150    HA   LEU  23           HA       LEU  23  -2.733  27.597  25.287
  151   1HB   LEU  23          1HB       LEU  23  -2.026  27.075  22.725
  152   2HB   LEU  23          2HB       LEU  23  -2.310  25.435  23.299
  153    HG   LEU  23           HG       LEU  23  -4.546  26.158  24.140
  154   1HD1  LEU  23          1HD1      LEU  23  -3.694  28.758  22.841
  155   2HD1  LEU  23          2HD1      LEU  23  -5.376  28.378  23.212
  156   3HD1  LEU  23          3HD1      LEU  23  -4.193  28.503  24.514
  157   1HD2  LEU  23          1HD2      LEU  23  -4.000  25.299  21.730
  158   2HD2  LEU  23          2HD2      LEU  23  -5.589  25.999  22.041
  159   3HD2  LEU  23          3HD2      LEU  23  -4.342  26.959  21.244
  160    H    PHE  24           H        PHE  24  -0.938  24.637  24.365
  161    HA   PHE  24           HA       PHE  24  -2.114  22.852  26.167
  162   1HB   PHE  24          1HB       PHE  24   0.440  23.120  24.683
  163   2HB   PHE  24          2HB       PHE  24   0.455  21.958  26.008
  164    HD1  PHE  24           HD1      PHE  24  -1.278  20.127  26.073
  165    HD2  PHE  24           HD2      PHE  24  -0.735  22.671  22.655
  166    HE1  PHE  24           HE1      PHE  24  -2.518  18.504  24.668
  167    HE2  PHE  24           HE2      PHE  24  -1.976  21.046  21.251
  168    HZ   PHE  24           HZ       PHE  24  -2.867  18.963  22.256
  169    H    GLU  25           H        GLU  25   0.245  25.348  26.797
  170    HA   GLU  25           HA       GLU  25   0.786  24.293  29.532
  171   1HB   GLU  25          1HB       GLU  25   2.256  25.616  27.542
  172   2HB   GLU  25          2HB       GLU  25   2.021  26.824  28.805
  173   1HG   GLU  25          1HG       GLU  25   4.060  25.550  29.262
  174   2HG   GLU  25          2HG       GLU  25   2.847  25.177  30.486
  175    H    LYS  26           H        LYS  26  -0.289  27.350  27.990
  176    HA   LYS  26           HA       LYS  26  -0.942  28.755  30.373
  177   1HB   LYS  26          1HB       LYS  26  -0.728  29.604  28.003
  178   2HB   LYS  26          2HB       LYS  26  -2.308  28.894  27.669
  179   1HG   LYS  26          1HG       LYS  26  -3.035  30.979  28.290
  180   2HG   LYS  26          2HG       LYS  26  -2.910  30.283  29.906
  181   1HD   LYS  26          1HD       LYS  26  -0.317  31.145  29.342
  182   2HD   LYS  26          2HD       LYS  26  -1.342  32.422  28.686
  183   1HE   LYS  26          1HE       LYS  26  -2.373  31.576  31.254
  184   2HE   LYS  26          2HE       LYS  26  -0.664  32.029  31.402
  185   1HZ   LYS  26          1HZ       LYS  26  -2.618  33.638  29.852
  186   2HZ   LYS  26          2HZ       LYS  26  -2.332  33.918  31.502
  187   3HZ   LYS  26          3HZ       LYS  26  -1.071  34.099  30.379
  188    H    ALA  27           H        ALA  27  -2.719  26.307  28.573
  189    HA   ALA  27           HA       ALA  27  -5.339  26.728  29.578
  190   1HB   ALA  27          1HB       ALA  27  -4.586  25.175  27.755
  191   2HB   ALA  27          2HB       ALA  27  -3.918  24.109  28.992
  192   3HB   ALA  27          3HB       ALA  27  -5.657  24.397  28.920
  193    H    ALA  28           H        ALA  28  -2.482  25.453  31.134
  194    HA   ALA  28           HA       ALA  28  -3.979  24.231  33.362
  195   1HB   ALA  28          1HB       ALA  28  -1.579  23.774  32.156
  196   2HB   ALA  28          3HB       ALA  28  -1.061  24.744  33.536
  197   3HB   ALA  28          2HB       ALA  28  -1.955  23.245  33.797
  198    H    ASP  29           H        ASP  29  -3.160  27.366  32.520
  199    HA   ASP  29           HA       ASP  29  -3.237  28.225  35.390
  200   1HB   ASP  29          1HB       ASP  29  -1.077  28.367  33.574
  201   2HB   ASP  29          2HB       ASP  29  -1.712  30.008  33.689
  202    H    ALA  30           H        ALA  30  -4.919  28.211  32.621
  203    HA   ALA  30           HA       ALA  30  -5.686  31.088  32.626
  204   1HB   ALA  30          1HB       ALA  30  -5.883  28.732  30.807
  205   2HB   ALA  30          3HB       ALA  30  -7.145  29.957  30.668
  206   3HB   ALA  30          2HB       ALA  30  -5.454  30.401  30.435
  207    H    GLY  31           H        GLY  31  -6.836  27.944  33.630
  208   1HA   GLY  31          2HA       GLY  31  -9.246  29.245  34.776
  209   2HA   GLY  31          1HA       GLY  31  -8.607  27.671  35.251
  210    H    LEU  32           H        LEU  32  -8.297  26.676  32.534
  211    HA   LEU  32           HA       LEU  32 -10.949  26.790  31.268
  212   1HB   LEU  32          1HB       LEU  32  -8.261  25.564  30.767
  213   2HB   LEU  32          2HB       LEU  32  -9.653  24.909  29.903
  214    HG   LEU  32           HG       LEU  32  -9.532  27.854  29.940
  215   1HD1  LEU  32          1HD1      LEU  32  -7.120  27.323  29.779
  216   2HD1  LEU  32          2HD1      LEU  32  -7.454  26.255  28.416
  217   3HD1  LEU  32          3HD1      LEU  32  -7.733  27.990  28.266
  218   1HD2  LEU  32          1HD2      LEU  32 -10.301  25.616  28.166
  219   2HD2  LEU  32          2HD2      LEU  32 -11.070  27.187  28.393
  220   3HD2  LEU  32          3HD2      LEU  32  -9.664  27.037  27.339
  221    H    ASP  33           H        ASP  33 -12.202  24.776  30.885
  222    HA   ASP  33           HA       ASP  33 -12.628  23.253  33.294
  223   1HB   ASP  33          1HB       ASP  33 -13.744  23.608  30.632
  224   2HB   ASP  33          2HB       ASP  33 -13.783  21.912  31.113
  225    H    GLY  34           H        GLY  34 -11.837  21.236  33.865
  226   1HA   GLY  34          2HA       GLY  34 -10.494  19.314  33.795
  227   2HA   GLY  34          1HA       GLY  34  -9.450  20.227  32.707
  228    H    GLU  35           H        GLU  35 -12.832  19.524  32.022
  229    HA   GLU  35           HA       GLU  35 -12.474  17.151  30.466
  230   1HB   GLU  35          1HB       GLU  35 -14.529  18.852  31.303
  231   2HB   GLU  35          2HB       GLU  35 -14.576  18.959  29.544
  232   1HG   GLU  35          1HG       GLU  35 -14.656  16.500  29.391
  233   2HG   GLU  35          2HG       GLU  35 -14.589  16.382  31.149
  234    H    ASP  36           H        ASP  36 -11.563  20.403  29.852
  235    HA   ASP  36           HA       ASP  36 -11.480  19.986  26.897
  236   1HB   ASP  36          1HB       ASP  36 -11.584  22.250  28.815
  237   2HB   ASP  36          2HB       ASP  36 -10.618  22.527  27.366
  238    H    TYR  37           H        TYR  37  -9.330  21.334  29.433
  239    HA   TYR  37           HA       TYR  37  -6.999  20.245  27.889
  240   1HB   TYR  37          1HB       TYR  37  -6.909  22.622  27.943
  241   2HB   TYR  37          2HB       TYR  37  -7.439  22.683  29.624
  242    HD1  TYR  37           HD1      TYR  37  -4.651  21.417  27.465
  243    HD2  TYR  37           HD2      TYR  37  -5.852  22.796  31.353
  244    HE1  TYR  37           HE1      TYR  37  -2.287  21.367  28.215
  245    HE2  TYR  37           HE2      TYR  37  -3.488  22.745  32.101
  246    HH   TYR  37           HH       TYR  37  -1.412  21.931  31.578
  247    H    GLY  38           H        GLY  38  -5.519  18.957  29.022
  248   1HA   GLY  38          2HA       GLY  38  -6.400  17.769  31.512
  249   2HA   GLY  38          1HA       GLY  38  -5.037  18.856  31.766
  250    H    THR  39           H        THR  39  -3.964  16.767  32.426
  251    HA   THR  39           HA       THR  39  -2.482  15.663  30.123
  252    HB   THR  39           HB       THR  39  -2.198  14.946  33.045
  253    HG1  THR  39           HG1      THR  39  -1.514  17.312  31.683
  254   1HG2  THR  39          1HG2      THR  39  -0.525  14.849  30.575
  255   2HG2  THR  39          2HG2      THR  39   0.292  15.163  32.107
  256   3HG2  THR  39          3HG2      THR  39  -0.647  13.686  31.895
  257    H    MET  40           H        MET  40  -3.133  13.783  29.162
  258    HA   MET  40           HA       MET  40  -5.180  12.091  30.455
  259   1HB   MET  40          1HB       MET  40  -4.231  12.770  27.811
  260   2HB   MET  40          2HB       MET  40  -4.274  11.016  27.996
  261   1HG   MET  40          1HG       MET  40  -6.606  11.129  28.744
  262   2HG   MET  40          2HG       MET  40  -6.572  12.889  28.641
  263   1HE   MET  40          1HE       MET  40  -5.903   9.701  27.167
  264   2HE   MET  40          2HE       MET  40  -6.961   9.619  25.751
  265   3HE   MET  40          3HE       MET  40  -5.276  10.103  25.571
  266    H    GLU  41           H        GLU  41  -4.484  10.482  31.819
  267    HA   GLU  41           HA       GLU  41  -1.743   9.394  31.549
  268   1HB   GLU  41          1HB       GLU  41  -2.147   8.543  33.742
  269   2HB   GLU  41          2HB       GLU  41  -2.949  10.112  33.709
  270   1HG   GLU  41          1HG       GLU  41  -5.057   8.811  32.984
  271   2HG   GLU  41          2HG       GLU  41  -4.192   7.368  33.513
  272    H    VAL  42           H        VAL  42  -1.434   7.646  30.240
  273    HA   VAL  42           HA       VAL  42  -3.707   5.716  29.891
  274    HB   VAL  42           HB       VAL  42  -1.447   6.395  27.986
  275   1HG1  VAL  42          1HG1      VAL  42  -2.702   4.160  27.815
  276   2HG1  VAL  42          2HG1      VAL  42  -4.119   5.117  27.386
  277   3HG1  VAL  42          3HG1      VAL  42  -2.683   5.163  26.365
  278   1HG2  VAL  42          1HG2      VAL  42  -4.248   7.502  28.257
  279   2HG2  VAL  42          2HG2      VAL  42  -2.729   8.396  28.215
  280   3HG2  VAL  42          3HG2      VAL  42  -3.332   7.612  26.755
  281    H    ALA  43           H        ALA  43  -3.014   4.257  31.549
  282    HA   ALA  43           HA       ALA  43  -0.358   3.371  32.024
  283   1HB   ALA  43          1HB       ALA  43  -3.051   2.780  32.802
  284   2HB   ALA  43          3HB       ALA  43  -2.238   1.256  32.448
  285   3HB   ALA  43          2HB       ALA  43  -1.561   2.360  33.647
  286    H    GLU  44           H        GLU  44   0.953   1.960  30.900
  287    HA   GLU  44           HA       GLU  44   0.668   1.205  28.262
  288   1HB   GLU  44          1HB       GLU  44   2.246   0.473  30.559
  289   2HB   GLU  44          2HB       GLU  44   1.902  -0.973  29.609
  290   1HG   GLU  44          1HG       GLU  44   2.668   0.257  27.563
  291   2HG   GLU  44          2HG       GLU  44   3.141   1.604  28.600
  292    H    GLY  45           H        GLY  45  -1.000   0.132  27.290
  293   1HA   GLY  45          2HA       GLY  45  -2.104  -2.272  28.682
  294   2HA   GLY  45          1HA       GLY  45  -2.031  -2.093  26.928
  295    H    GLU  46           H        GLU  46  -2.826   0.903  27.844
  296    HA   GLU  46           HA       GLU  46  -5.771   0.308  27.909
  297   1HB   GLU  46          1HB       GLU  46  -4.555   1.329  29.949
  298   2HB   GLU  46          2HB       GLU  46  -4.406   2.787  28.968
  299   1HG   GLU  46          2HG       GLU  46  -6.422   3.132  30.139
  300   2HG   GLU  46          1HG       GLU  46  -6.963   2.516  28.578
  301    H    TYR  47           H        TYR  47  -6.494   0.710  25.831
  302    HA   TYR  47           HA       TYR  47  -5.324   2.287  23.837
  303   1HB   TYR  47          1HB       TYR  47  -8.281   1.915  24.422
  304   2HB   TYR  47          2HB       TYR  47  -7.568   2.263  22.848
  305    HD1  TYR  47           HD1      TYR  47  -5.214   0.543  22.765
  306    HD2  TYR  47           HD2      TYR  47  -9.134  -0.272  24.322
  307    HE1  TYR  47           HE1      TYR  47  -4.858  -1.882  22.393
  308    HE2  TYR  47           HE2      TYR  47  -8.777  -2.698  23.950
  309    HH   TYR  47           HH       TYR  47  -6.837  -4.260  23.744
  310    H    ILE  48           H        ILE  48  -5.769   4.487  23.122
  311    HA   ILE  48           HA       ILE  48  -5.679   6.487  25.115
  312    HB   ILE  48           HB       ILE  48  -6.525   6.490  22.207
  313   1HG1  ILE  48          1HG1      ILE  48  -4.069   7.856  22.866
  314   2HG1  ILE  48          2HG1      ILE  48  -4.037   6.221  23.526
  315   1HG2  ILE  48          1HG2      ILE  48  -6.102   8.780  24.136
  316   2HG2  ILE  48          2HG2      ILE  48  -5.974   8.985  22.389
  317   3HG2  ILE  48          3HG2      ILE  48  -7.501   8.473  23.107
  318   1HD1  ILE  48          1HD1      ILE  48  -5.168   5.986  20.952
  319   2HD1  ILE  48          2HD1      ILE  48  -3.791   7.074  20.772
  320   3HD1  ILE  48          3HD1      ILE  48  -3.560   5.466  21.459
  321    H    LEU  49           H        LEU  49  -8.472   6.068  22.894
  322    HA   LEU  49           HA       LEU  49 -10.319   7.610  24.332
  323   1HB   LEU  49          1HB       LEU  49 -10.864   6.836  22.153
  324   2HB   LEU  49          2HB       LEU  49 -10.559   5.154  22.587
  325    HG   LEU  49           HG       LEU  49 -12.648   6.583  24.157
  326   1HD1  LEU  49          1HD1      LEU  49 -12.747   6.907  21.439
  327   2HD1  LEU  49          2HD1      LEU  49 -13.637   5.398  21.638
  328   3HD1  LEU  49          3HD1      LEU  49 -14.168   6.852  22.482
  329   1HD2  LEU  49          1HD2      LEU  49 -12.121   3.822  23.077
  330   2HD2  LEU  49          2HD2      LEU  49 -12.370   4.328  24.749
  331   3HD2  LEU  49          3HD2      LEU  49 -13.735   4.265  23.633
  332    H    GLU  50           H        GLU  50  -9.012   4.491  25.142
  333    HA   GLU  50           HA       GLU  50 -11.163   3.682  26.944
  334   1HB   GLU  50          1HB       GLU  50  -8.474   2.775  26.066
  335   2HB   GLU  50          2HB       GLU  50  -8.974   2.239  27.669
  336   1HG   GLU  50          1HG       GLU  50 -11.259   1.819  26.205
  337   2HG   GLU  50          2HG       GLU  50 -10.005   1.461  25.018
  338    H    ALA  51           H        ALA  51  -7.829   4.931  27.426
  339    HA   ALA  51           HA       ALA  51  -8.104   5.197  30.293
  340   1HB   ALA  51          1HB       ALA  51  -6.216   6.921  28.778
  341   2HB   ALA  51          2HB       ALA  51  -6.075   5.187  28.486
  342   3HB   ALA  51          3HB       ALA  51  -5.899   5.824  30.122
  343    H    ALA  52           H        ALA  52  -8.763   7.291  27.544
  344    HA   ALA  52           HA       ALA  52  -9.108   9.717  29.121
  345   1HB   ALA  52          1HB       ALA  52  -9.331   8.781  26.323
  346   2HB   ALA  52          3HB       ALA  52 -10.381  10.135  26.742
  347   3HB   ALA  52          2HB       ALA  52  -8.635  10.274  26.953
  348    H    GLU  53           H        GLU  53 -11.260   7.301  27.672
  349    HA   GLU  53           HA       GLU  53 -13.751   8.520  28.325
  350   1HB   GLU  53          1HB       GLU  53 -13.714   6.705  26.797
  351   2HB   GLU  53          2HB       GLU  53 -12.776   5.695  27.896
  352   1HG   GLU  53          1HG       GLU  53 -14.725   5.654  29.457
  353   2HG   GLU  53          2HG       GLU  53 -15.659   6.566  28.269
  354    H    ALA  54           H        ALA  54 -11.581   6.448  30.190
  355    HA   ALA  54           HA       ALA  54 -13.334   5.976  32.420
  356   1HB   ALA  54          1HB       ALA  54 -10.490   6.127  33.049
  357   2HB   ALA  54          3HB       ALA  54 -10.773   5.263  31.538
  358   3HB   ALA  54          2HB       ALA  54 -11.549   4.718  33.025
  359    H    GLN  55           H        GLN  55 -11.453   8.729  31.427
  360    HA   GLN  55           HA       GLN  55 -11.527   9.968  34.122
  361   1HB   GLN  55          1HB       GLN  55 -10.409  10.771  31.419
  362   2HB   GLN  55          2HB       GLN  55 -10.249  11.756  32.873
  363   1HG   GLN  55          1HG       GLN  55  -9.196   8.941  32.466
  364   2HG   GLN  55          2HG       GLN  55  -8.236  10.412  32.620
  365   2HE2  GLN  55          2HE2      GLN  55  -9.688   7.848  34.393
  366   1HE2  GLN  55          1HE2      GLN  55  -9.464   8.493  35.947
  367    H    GLY  56           H        GLY  56 -13.203  10.089  31.045
  368   1HA   GLY  56          2HA       GLY  56 -14.895  12.305  32.132
  369   2HA   GLY  56          1HA       GLY  56 -15.531  10.995  31.137
  370    H    TYR  57           H        TYR  57 -13.015  11.154  29.433
  371    HA   TYR  57           HA       TYR  57 -13.282  13.808  28.142
  372   1HB   TYR  57          1HB       TYR  57 -11.590  11.404  27.398
  373   2HB   TYR  57          2HB       TYR  57 -11.333  13.074  26.902
  374    HD1  TYR  57           HD1      TYR  57 -12.365  13.811  29.962
  375    HD2  TYR  57           HD2      TYR  57  -9.148  11.594  28.177
  376    HE1  TYR  57           HE1      TYR  57 -10.977  14.197  31.980
  377    HE2  TYR  57           HE2      TYR  57  -7.763  11.977  30.193
  378    HH   TYR  57           HH       TYR  57  -7.737  13.837  32.077
  379    H    ASP  58           H        ASP  58 -15.108  13.937  26.847
  380    HA   ASP  58           HA       ASP  58 -16.008  11.582  25.297
  381   1HB   ASP  58          1HB       ASP  58 -17.005  14.334  25.975
  382   2HB   ASP  58          2HB       ASP  58 -17.727  13.473  24.616
  383    H    TRP  59           H        TRP  59 -15.726  11.389  23.072
  384    HA   TRP  59           HA       TRP  59 -14.291  13.639  21.699
  385   1HB   TRP  59          1HB       TRP  59 -14.137  10.647  21.206
  386   2HB   TRP  59          2HB       TRP  59 -13.137  11.883  20.441
  387    HD1  TRP  59           HD1      TRP  59 -13.943  10.611  24.006
  388    HE1  TRP  59           HE1      TRP  59 -11.818  10.851  25.443
  389    HE3  TRP  59           HE3      TRP  59 -10.825  12.816  20.612
  390    HZ2  TRP  59           HZ2      TRP  59  -9.147  11.839  25.187
  391    HZ3  TRP  59           HZ3      TRP  59  -8.497  13.392  21.236
  392    HH2  TRP  59           HH2      TRP  59  -7.655  12.908  23.516
  393    HA   PRO  60           HA       PRO  60 -17.583  13.718  18.803
  394   1HB   PRO  60          1HB       PRO  60 -16.236  14.594  16.585
  395   2HB   PRO  60          2HB       PRO  60 -16.623  15.643  17.962
  396   1HG   PRO  60          2HG       PRO  60 -14.063  14.280  17.271
  397   2HG   PRO  60          1HG       PRO  60 -14.334  15.898  17.932
  398   1HD   PRO  60          1HD       PRO  60 -13.542  13.766  19.440
  399   2HD   PRO  60          2HD       PRO  60 -14.481  15.128  20.088
  400    H    PHE  61           H        PHE  61 -18.092  12.874  16.485
  401    HA   PHE  61           HA       PHE  61 -17.097  10.092  16.302
  402   1HB   PHE  61          1HB       PHE  61 -19.355  11.720  15.137
  403   2HB   PHE  61          2HB       PHE  61 -18.986  10.112  14.516
  404    HD1  PHE  61           HD1      PHE  61 -19.169  11.733  17.905
  405    HD2  PHE  61           HD2      PHE  61 -20.310   8.423  15.416
  406    HE1  PHE  61           HE1      PHE  61 -20.387  10.719  19.813
  407    HE2  PHE  61           HE2      PHE  61 -21.529   7.409  17.324
  408    HZ   PHE  61           HZ       PHE  61 -21.567   8.557  19.522
  409    H    SER  62           H        SER  62 -15.855   9.337  14.598
  410    HA   SER  62           HA       SER  62 -15.500  10.906  12.137
  411   1HB   SER  62          1HB       SER  62 -13.941  12.134  13.377
  412   2HB   SER  62          2HB       SER  62 -13.498  10.749  14.375
  413    HG   SER  62           HG       SER  62 -12.461   9.855  12.571
  414    H    CYS  63           H        CYS  63 -16.475   8.606  11.737
  415    HA   CYS  63           HA       CYS  63 -14.391   6.910  10.626
  416   1HB   CYS  63          1HB       CYS  63 -15.258   6.573  13.370
  417   2HB   CYS  63          2HB       CYS  63 -15.655   5.137  12.428
  418    H    ARG  64           H        ARG  64 -17.497   6.005  12.124
  419    HA   ARG  64           HA       ARG  64 -18.700   5.725   9.399
  420   1HB   ARG  64          1HB       ARG  64 -18.930   3.628  11.567
  421   2HB   ARG  64          2HB       ARG  64 -19.292   3.460   9.850
  422   1HG   ARG  64          1HG       ARG  64 -16.839   3.896   9.390
  423   2HG   ARG  64          2HG       ARG  64 -16.564   3.785  11.128
  424   1HD   ARG  64          1HD       ARG  64 -17.915   1.498  10.840
  425   2HD   ARG  64          2HD       ARG  64 -17.288   1.626   9.185
  426    HE   ARG  64           HE       ARG  64 -15.423   1.995  11.490
  427   1HH1  ARG  64          1HH1      ARG  64 -15.127   1.625   8.318
  428   2HH1  ARG  64          2HH1      ARG  64 -14.293   0.107   8.319
  429   1HH2  ARG  64          1HH2      ARG  64 -14.929  -0.542  11.665
  430   2HH2  ARG  64          2HH2      ARG  64 -14.181  -1.120  10.213
  431    H    ALA  65           H        ALA  65 -21.050   4.395  10.524
  432    HA   ALA  65           HA       ALA  65 -22.153   6.550  12.295
  433   1HB   ALA  65          1HB       ALA  65 -24.239   5.753  10.659
  434   2HB   ALA  65          3HB       ALA  65 -22.853   5.700   9.570
  435   3HB   ALA  65          2HB       ALA  65 -23.256   7.197  10.414
  436    H    GLY  66           H        GLY  66 -21.268   3.572  12.562
  437   1HA   GLY  66          2HA       GLY  66 -23.088   1.647  12.894
  438   2HA   GLY  66          1HA       GLY  66 -23.644   2.768  14.137
  439    H    ALA  67           H        ALA  67 -20.278   2.125  13.206
  440    HA   ALA  67           HA       ALA  67 -19.755   1.303  16.033
  441   1HB   ALA  67          1HB       ALA  67 -19.448  -0.210  13.491
  442   2HB   ALA  67          3HB       ALA  67 -19.760  -0.807  15.121
  443   3HB   ALA  67          2HB       ALA  67 -18.122  -0.359  14.645
  444    H    CYS  68           H        CYS  68 -17.502   1.622  16.656
  445    HA   CYS  68           HA       CYS  68 -15.389   2.689  16.579
  446   1HB   CYS  68          1HB       CYS  68 -15.774   1.621  14.122
  447   2HB   CYS  68          2HB       CYS  68 -15.711   3.330  13.690
  448    H    ALA  69           H        ALA  69 -16.461   4.435  17.817
  449    HA   ALA  69           HA       ALA  69 -16.850   6.913  16.168
  450   1HB   ALA  69          1HB       ALA  69 -18.295   5.930  18.650
  451   2HB   ALA  69          3HB       ALA  69 -18.971   6.060  17.027
  452   3HB   ALA  69          2HB       ALA  69 -18.543   7.517  17.923
  453    H    ASN  70           H        ASN  70 -16.930   8.786  18.147
  454    HA   ASN  70           HA       ASN  70 -15.513  10.052  19.557
  455   1HB   ASN  70          1HB       ASN  70 -14.860   7.233  20.481
  456   2HB   ASN  70          2HB       ASN  70 -14.559   8.708  21.401
  457   2HD2  ASN  70          2HD2      ASN  70 -16.218   9.300  22.807
  458   1HD2  ASN  70          1HD2      ASN  70 -17.831   8.786  22.682
  459    H    CYS  71           H        CYS  71 -14.103  10.735  17.789
  460    HA   CYS  71           HA       CYS  71 -11.344   9.774  18.088
  461   1HB   CYS  71          1HB       CYS  71 -13.077   8.560  16.232
  462   2HB   CYS  71          2HB       CYS  71 -12.058   9.637  15.276
  463    H    ALA  72           H        ALA  72 -10.586  10.814  15.447
  464    HA   ALA  72           HA       ALA  72 -10.108  12.872  14.378
  465   1HB   ALA  72          1HB       ALA  72 -12.760  12.895  14.966
  466   2HB   ALA  72          3HB       ALA  72 -12.226  14.283  15.913
  467   3HB   ALA  72          2HB       ALA  72 -11.940  14.241  14.174
  468    H    SER  73           H        SER  73  -8.116  13.299  15.399
  469    HA   SER  73           HA       SER  73  -8.204  15.325  17.575
  470   1HB   SER  73          1HB       SER  73  -7.774  12.577  18.000
  471   2HB   SER  73          2HB       SER  73  -6.171  13.307  18.077
  472    HG   SER  73           HG       SER  73  -7.515  14.957  19.412
  473    H    ILE  74           H        ILE  74  -5.887  16.183  17.942
  474    HA   ILE  74           HA       ILE  74  -4.251  15.973  15.439
  475    HB   ILE  74           HB       ILE  74  -4.974  18.478  16.993
  476   1HG1  ILE  74          1HG1      ILE  74  -6.896  17.486  15.764
  477   2HG1  ILE  74          2HG1      ILE  74  -6.390  19.027  15.068
  478   1HG2  ILE  74          1HG2      ILE  74  -3.529  18.082  14.354
  479   2HG2  ILE  74          2HG2      ILE  74  -3.942  19.640  15.072
  480   3HG2  ILE  74          3HG2      ILE  74  -2.778  18.581  15.870
  481   1HD1  ILE  74          1HD1      ILE  74  -5.452  16.328  14.051
  482   2HD1  ILE  74          2HD1      ILE  74  -6.807  17.221  13.359
  483   3HD1  ILE  74          3HD1      ILE  74  -5.179  17.900  13.300
  484    H    VAL  75           H        VAL  75  -2.887  14.534  16.794
  485    HA   VAL  75           HA       VAL  75  -1.721  15.017  19.261
  486    HB   VAL  75           HB       VAL  75  -1.367  13.055  17.782
  487   1HG1  VAL  75          1HG1      VAL  75  -0.733  14.980  15.887
  488   2HG1  VAL  75          2HG1      VAL  75   0.833  14.267  16.277
  489   3HG1  VAL  75          3HG1      VAL  75  -0.484  13.243  15.705
  490   1HG2  VAL  75          1HG2      VAL  75   0.225  13.624  19.661
  491   2HG2  VAL  75          2HG2      VAL  75   0.943  12.658  18.371
  492   3HG2  VAL  75          3HG2      VAL  75   1.268  14.390  18.461
  493    H    LYS  76           H        LYS  76  -0.734  16.868  20.016
  494    HA   LYS  76           HA       LYS  76   0.483  18.781  18.124
  495   1HB   LYS  76          1HB       LYS  76  -0.988  19.194  20.250
  496   2HB   LYS  76          2HB       LYS  76   0.519  18.949  21.133
  497   1HG   LYS  76          1HG       LYS  76   0.732  21.208  20.774
  498   2HG   LYS  76          2HG       LYS  76   1.399  20.655  19.238
  499   1HD   LYS  76          1HD       LYS  76  -1.225  20.657  18.602
  500   2HD   LYS  76          2HD       LYS  76  -1.221  21.940  19.813
  501   1HE   LYS  76          1HE       LYS  76  -0.770  23.054  17.747
  502   2HE   LYS  76          2HE       LYS  76   0.820  22.886  18.514
  503   1HZ   LYS  76          1HZ       LYS  76   0.933  20.663  17.339
  504   2HZ   LYS  76          2HZ       LYS  76  -0.393  21.178  16.412
  505   3HZ   LYS  76          3HZ       LYS  76   1.074  22.031  16.345
  506    H    GLU  77           H        GLU  77   1.518  16.058  19.863
  507    HA   GLU  77           HA       GLU  77   4.249  16.266  19.087
  508   1HB   GLU  77          1HB       GLU  77   3.417  17.815  21.411
  509   2HB   GLU  77          2HB       GLU  77   4.683  16.662  21.829
  510   1HG   GLU  77          1HG       GLU  77   5.031  18.209  19.304
  511   2HG   GLU  77          2HG       GLU  77   5.246  19.083  20.821
  512    H    GLY  78           H        GLY  78   5.252  14.287  19.492
  513   1HA   GLY  78          2HA       GLY  78   3.938  12.484  21.482
  514   2HA   GLY  78          1HA       GLY  78   5.632  12.367  21.012
  515    H    GLU  79           H        GLU  79   3.905  10.148  20.840
  516    HA   GLU  79           HA       GLU  79   2.912   9.866  18.099
  517   1HB   GLU  79          1HB       GLU  79   5.346   9.806  17.770
  518   2HB   GLU  79          2HB       GLU  79   5.496   8.549  18.998
  519   1HG   GLU  79          1HG       GLU  79   4.033   7.076  17.610
  520   2HG   GLU  79          2HG       GLU  79   4.013   8.322  16.362
  521    H    ILE  80           H        ILE  80   1.708   7.912  17.870
  522    HA   ILE  80           HA       ILE  80   1.457   6.286  20.380
  523    HB   ILE  80           HB       ILE  80  -0.635   6.832  18.254
  524   1HG1  ILE  80          1HG1      ILE  80  -0.228   8.229  20.916
  525   2HG1  ILE  80          2HG1      ILE  80   0.135   8.938  19.343
  526   1HG2  ILE  80          1HG2      ILE  80  -0.790   5.814  21.108
  527   2HG2  ILE  80          2HG2      ILE  80  -2.178   6.128  20.067
  528   3HG2  ILE  80          3HG2      ILE  80  -1.036   4.851  19.652
  529   1HD1  ILE  80          1HD1      ILE  80  -2.547   7.815  19.398
  530   2HD1  ILE  80          2HD1      ILE  80  -2.331   9.010  20.676
  531   3HD1  ILE  80          3HD1      ILE  80  -2.034   9.454  18.996
  532    H    ASP  81           H        ASP  81   0.818   4.000  19.991
  533    HA   ASP  81           HA       ASP  81   1.752   2.987  17.322
  534   1HB   ASP  81          1HB       ASP  81   3.428   2.528  18.975
  535   2HB   ASP  81          2HB       ASP  81   2.218   2.024  20.156
  536    H    MET  82           H        MET  82   0.176   1.827  16.282
  537    HA   MET  82           HA       MET  82  -2.049   0.679  17.938
  538   1HB   MET  82          1HB       MET  82  -2.162   2.599  16.019
  539   2HB   MET  82          2HB       MET  82  -2.378   1.159  15.025
  540   1HG   MET  82          1HG       MET  82  -4.339   0.521  16.156
  541   2HG   MET  82          2HG       MET  82  -3.960   1.514  17.564
  542   1HE   MET  82          1HE       MET  82  -6.531   1.096  15.884
  543   2HE   MET  82          2HE       MET  82  -7.103   2.484  14.961
  544   3HE   MET  82          3HE       MET  82  -5.958   1.346  14.238
  545    H    ASP  83           H        ASP  83  -3.173  -1.149  16.469
  546    HA   ASP  83           HA       ASP  83  -1.002  -3.085  15.798
  547   1HB   ASP  83          1HB       ASP  83  -3.408  -3.144  17.282
  548   2HB   ASP  83          2HB       ASP  83  -3.698  -4.137  15.854
  549    H    MET  84           H        MET  84  -2.149  -4.803  14.094
  550    HA   MET  84           HA       MET  84  -2.086  -3.562  11.542
  551   1HB   MET  84          1HB       MET  84  -1.883  -6.041  12.358
  552   2HB   MET  84          2HB       MET  84  -3.633  -6.076  12.148
  553   1HG   MET  84          1HG       MET  84  -2.737  -4.859   9.818
  554   2HG   MET  84          2HG       MET  84  -1.519  -6.098  10.123
  555   1HE   MET  84          1HE       MET  84  -3.052  -5.837   7.776
  556   2HE   MET  84          2HE       MET  84  -4.100  -7.209   7.384
  557   3HE   MET  84          3HE       MET  84  -4.787  -5.741   8.072
  558    H    GLN  85           H        GLN  85  -3.564  -1.710  11.734
  559    HA   GLN  85           HA       GLN  85  -6.354  -2.438  11.058
  560   1HB   GLN  85          1HB       GLN  85  -5.560  -1.862  13.679
  561   2HB   GLN  85          2HB       GLN  85  -6.270  -0.355  13.102
  562   1HG   GLN  85          1HG       GLN  85  -7.762  -2.825  12.415
  563   2HG   GLN  85          2HG       GLN  85  -7.738  -2.396  14.125
  564   2HE2  GLN  85          2HE2      GLN  85  -8.219  -0.750  10.939
  565   1HE2  GLN  85          1HE2      GLN  85  -9.465   0.262  11.490
  566    H    GLN  86           H        GLN  86  -6.693  -1.217   9.241
  567    HA   GLN  86           HA       GLN  86  -6.674   0.633   7.771
  568   1HB   GLN  86          1HB       GLN  86  -7.585   1.386  10.218
  569   2HB   GLN  86          2HB       GLN  86  -6.214   2.481  10.049
  570   1HG   GLN  86          1HG       GLN  86  -8.295   3.475   9.135
  571   2HG   GLN  86          2HG       GLN  86  -7.076   3.252   7.880
  572   2HE2  GLN  86          2HE2      GLN  86  -8.672   0.378   9.080
  573   1HE2  GLN  86          1HE2      GLN  86  -9.672   0.131   7.731
  574    H    ILE  87           H        ILE  87  -5.294   2.734   7.297
  575    HA   ILE  87           HA       ILE  87  -2.437   2.264   8.071
  576    HB   ILE  87           HB       ILE  87  -2.020   2.929   5.601
  577   1HG1  ILE  87          1HG1      ILE  87  -4.940   2.119   5.451
  578   2HG1  ILE  87          2HG1      ILE  87  -4.327   3.753   5.198
  579   1HG2  ILE  87          1HG2      ILE  87  -2.251   0.515   6.844
  580   2HG2  ILE  87          2HG2      ILE  87  -3.468   0.347   5.579
  581   3HG2  ILE  87          3HG2      ILE  87  -1.795   0.704   5.151
  582   1HD1  ILE  87          1HD1      ILE  87  -2.825   1.916   3.569
  583   2HD1  ILE  87          2HD1      ILE  87  -4.548   1.673   3.280
  584   3HD1  ILE  87          3HD1      ILE  87  -3.832   3.269   3.056
  585    H    LEU  88           H        LEU  88  -1.100   4.240   7.821
  586    HA   LEU  88           HA       LEU  88  -2.667   6.780   7.633
  587   1HB   LEU  88          1HB       LEU  88  -2.515   6.168   9.987
  588   2HB   LEU  88          2HB       LEU  88  -0.779   5.898   9.838
  589    HG   LEU  88           HG       LEU  88  -1.635   8.554   8.914
  590   1HD1  LEU  88          1HD1      LEU  88  -2.925   7.631  11.206
  591   2HD1  LEU  88          2HD1      LEU  88  -1.555   8.549  11.832
  592   3HD1  LEU  88          3HD1      LEU  88  -2.713   9.320  10.747
  593   1HD2  LEU  88          1HD2      LEU  88   0.636   7.229  10.060
  594   2HD2  LEU  88          2HD2      LEU  88   0.553   8.842   9.352
  595   3HD2  LEU  88          3HD2      LEU  88   0.226   8.615  11.069
  596    H    SER  89           H        SER  89  -1.473   8.504   6.760
  597    HA   SER  89           HA       SER  89   1.143   7.776   5.548
  598   1HB   SER  89          1HB       SER  89  -0.508  10.281   5.157
  599   2HB   SER  89          2HB       SER  89   0.648   9.559   4.039
  600    HG   SER  89           HG       SER  89  -1.988   8.951   4.494
  601    H    ASP  90           H        ASP  90   3.032   9.013   5.952
  602    HA   ASP  90           HA       ASP  90   3.371  10.150   8.548
  603   1HB   ASP  90          1HB       ASP  90   5.023   9.176   6.759
  604   2HB   ASP  90          2HB       ASP  90   5.075  10.835   6.163
  605    H    GLU  91           H        GLU  91   3.098  11.740   5.358
  606    HA   GLU  91           HA       GLU  91   3.310  14.426   6.210
  607   1HB   GLU  91          1HB       GLU  91   2.695  12.964   3.885
  608   2HB   GLU  91          2HB       GLU  91   1.318  14.038   4.128
  609   1HG   GLU  91          1HG       GLU  91   2.809  15.972   4.267
  610   2HG   GLU  91          2HG       GLU  91   4.221  14.923   4.136
  611    H    GLU  92           H        GLU  92   0.708  12.137   6.595
  612    HA   GLU  92           HA       GLU  92  -1.399  14.073   7.110
  613   1HB   GLU  92          1HB       GLU  92  -0.956  11.188   7.035
  614   2HB   GLU  92          2HB       GLU  92  -2.017  11.649   8.365
  615   1HG   GLU  92          1HG       GLU  92  -3.108  13.178   6.461
  616   2HG   GLU  92          2HG       GLU  92  -2.432  11.926   5.420
  617    H    VAL  93           H        VAL  93   0.778  12.125   9.166
  618    HA   VAL  93           HA       VAL  93  -0.308  13.172  11.657
  619    HB   VAL  93           HB       VAL  93   0.990  10.956  11.024
  620   1HG1  VAL  93          1HG1      VAL  93   3.004  12.554  10.371
  621   2HG1  VAL  93          2HG1      VAL  93   3.347  12.460  12.098
  622   3HG1  VAL  93          3HG1      VAL  93   3.305  10.989  11.126
  623   1HG2  VAL  93          1HG2      VAL  93   0.446  12.346  13.419
  624   2HG2  VAL  93          2HG2      VAL  93   0.786  10.624  13.241
  625   3HG2  VAL  93          3HG2      VAL  93   2.100  11.754  13.571
  626    H    GLU  94           H        GLU  94   2.033  14.251   9.341
  627    HA   GLU  94           HA       GLU  94   3.301  16.131  11.267
  628   1HB   GLU  94          1HB       GLU  94   4.185  14.609   9.128
  629   2HB   GLU  94          2HB       GLU  94   4.058  16.223   8.428
  630   1HG   GLU  94          1HG       GLU  94   5.339  17.066  10.466
  631   2HG   GLU  94          2HG       GLU  94   5.663  15.376  10.852
  632    H    GLU  95           H        GLU  95   1.172  16.083   8.440
  633    HA   GLU  95           HA       GLU  95   1.086  19.051   8.359
  634   1HB   GLU  95          1HB       GLU  95   1.255  17.418   6.361
  635   2HB   GLU  95          2HB       GLU  95  -0.449  17.079   6.660
  636   1HG   GLU  95          1HG       GLU  95  -1.112  19.083   5.822
  637   2HG   GLU  95          2HG       GLU  95   0.202  19.950   6.618
  638    H    LYS  96           H        LYS  96  -0.851  16.296   9.377
  639    HA   LYS  96           HA       LYS  96  -3.070  18.184  10.099
  640   1HB   LYS  96          1HB       LYS  96  -2.915  15.524   8.834
  641   2HB   LYS  96          2HB       LYS  96  -4.146  15.655  10.091
  642   1HG   LYS  96          1HG       LYS  96  -4.486  18.016   8.731
  643   2HG   LYS  96          2HG       LYS  96  -4.034  16.916   7.428
  644   1HD   LYS  96          1HD       LYS  96  -5.772  15.299   8.461
  645   2HD   LYS  96          2HD       LYS  96  -6.366  16.711   9.334
  646   1HE   LYS  96          1HE       LYS  96  -5.934  16.943   6.370
  647   2HE   LYS  96          2HE       LYS  96  -7.385  16.113   6.964
  648   1HZ   LYS  96          1HZ       LYS  96  -7.622  18.074   8.528
  649   2HZ   LYS  96          2HZ       LYS  96  -6.469  18.870   7.569
  650   3HZ   LYS  96          3HZ       LYS  96  -7.950  18.388   6.892
  651    H    ASP  97           H        ASP  97  -0.712  15.968  11.293
  652    HA   ASP  97           HA       ASP  97  -0.275  15.190  13.485
  653   1HB   ASP  97          1HB       ASP  97  -1.723  17.764  13.641
  654   2HB   ASP  97          2HB       ASP  97  -1.768  16.808  15.124
  655    H    VAL  98           H        VAL  98  -2.762  14.289  11.904
  656    HA   VAL  98           HA       VAL  98  -4.724  13.657  14.007
  657    HB   VAL  98           HB       VAL  98  -5.365  14.225  11.691
  658   1HG1  VAL  98          1HG1      VAL  98  -3.651  11.813  11.072
  659   2HG1  VAL  98          2HG1      VAL  98  -4.874  12.400   9.946
  660   3HG1  VAL  98          3HG1      VAL  98  -3.525  13.440  10.403
  661   1HG2  VAL  98          1HG2      VAL  98  -6.446  12.270  13.220
  662   2HG2  VAL  98          2HG2      VAL  98  -7.097  12.725  11.646
  663   3HG2  VAL  98          3HG2      VAL  98  -6.028  11.330  11.787
  664    H    ARG  99           H        ARG  99  -5.337  11.363  14.427
  665    HA   ARG  99           HA       ARG  99  -3.665   9.151  13.637
  666   1HB   ARG  99          1HB       ARG  99  -2.623  10.929  15.594
  667   2HB   ARG  99          2HB       ARG  99  -3.068   9.447  16.440
  668   1HG   ARG  99          1HG       ARG  99  -1.867   8.554  14.082
  669   2HG   ARG  99          2HG       ARG  99  -0.872   9.922  14.583
  670   1HD   ARG  99          1HD       ARG  99  -1.419   8.495  16.957
  671   2HD   ARG  99          2HD       ARG  99  -1.009   7.269  15.742
  672    HE   ARG  99           HE       ARG  99   0.767   9.434  16.687
  673   1HH1  ARG  99          1HH1      ARG  99   1.993   9.972  14.522
  674   2HH1  ARG  99          2HH1      ARG  99   2.759   8.568  13.855
  675   1HH2  ARG  99          1HH2      ARG  99   0.915   6.332  15.758
  676   2HH2  ARG  99          2HH2      ARG  99   2.148   6.507  14.555
  677    H    LEU 100           H        LEU 100  -5.071   7.460  13.851
  678    HA   LEU 100           HA       LEU 100  -7.558   7.465  15.127
  679   1HB   LEU 100          1HB       LEU 100  -5.541   5.354  14.392
  680   2HB   LEU 100          2HB       LEU 100  -7.047   4.890  15.185
  681    HG   LEU 100           HG       LEU 100  -7.853   6.679  13.203
  682   1HD1  LEU 100          1HD1      LEU 100  -5.320   6.010  12.459
  683   2HD1  LEU 100          2HD1      LEU 100  -6.234   4.713  11.690
  684   3HD1  LEU 100          3HD1      LEU 100  -6.604   6.396  11.312
  685   1HD2  LEU 100          1HD2      LEU 100  -8.331   4.035  14.021
  686   2HD2  LEU 100          2HD2      LEU 100  -9.259   4.955  12.836
  687   3HD2  LEU 100          3HD2      LEU 100  -7.933   3.917  12.307
  688    H    THR 101           H        THR 101  -8.069   7.653  17.273
  689    HA   THR 101           HA       THR 101  -6.006   6.964  19.317
  690    HB   THR 101           HB       THR 101  -7.547   8.332  20.766
  691    HG1  THR 101           HG1      THR 101  -9.453   8.746  20.031
  692   1HG2  THR 101          1HG2      THR 101  -5.916   9.182  18.568
  693   2HG2  THR 101          2HG2      THR 101  -7.280  10.290  18.720
  694   3HG2  THR 101          3HG2      THR 101  -6.214  10.010  20.097
  695    H    CYS 102           H        CYS 102  -7.733   4.938  17.887
  696    HA   CYS 102           HA       CYS 102  -9.257   3.893  20.252
  697   1HB   CYS 102          1HB       CYS 102  -9.615   3.575  17.256
  698   2HB   CYS 102          2HB       CYS 102 -10.558   2.684  18.452
  699    H    ILE 103           H        ILE 103  -8.988   1.662  20.754
  700    HA   ILE 103           HA       ILE 103  -7.543  -0.191  21.130
  701    HB   ILE 103           HB       ILE 103  -7.531  -1.582  19.100
  702   1HG1  ILE 103          1HG1      ILE 103  -8.535   0.847  17.601
  703   2HG1  ILE 103          2HG1      ILE 103  -6.836   0.375  17.607
  704   1HG2  ILE 103          1HG2      ILE 103  -9.807  -0.300  20.247
  705   2HG2  ILE 103          2HG2      ILE 103 -10.098  -0.462  18.515
  706   3HG2  ILE 103          3HG2      ILE 103  -9.724  -1.888  19.483
  707   1HD1  ILE 103          1HD1      ILE 103  -7.545  -1.905  16.798
  708   2HD1  ILE 103          2HD1      ILE 103  -9.184  -1.277  16.629
  709   3HD1  ILE 103          3HD1      ILE 103  -7.878  -0.608  15.651
  710    H    GLY 104           H        GLY 104  -6.090   2.362  20.754
  711   1HA   GLY 104          2HA       GLY 104  -4.024   2.866  19.289
  712   2HA   GLY 104          1HA       GLY 104  -3.542   1.217  19.692
  713    H    SER 105           H        SER 105  -1.676   1.832  20.863
  714    HA   SER 105           HA       SER 105  -2.229   3.234  23.457
  715   1HB   SER 105          1HB       SER 105  -0.153   1.798  24.116
  716   2HB   SER 105          2HB       SER 105  -1.704   0.981  23.918
  717    HG   SER 105           HG       SER 105   0.548   0.982  22.261
  718    HA   PRO 106           HA       PRO 106   0.745   6.208  22.135
  719   1HB   PRO 106          1HB       PRO 106   1.312   7.308  24.576
  720   2HB   PRO 106          2HB       PRO 106  -0.198   7.623  23.700
  721   1HG   PRO 106          2HG       PRO 106   0.328   5.784  25.981
  722   2HG   PRO 106          1HG       PRO 106  -1.088   6.791  25.648
  723   1HD   PRO 106          1HD       PRO 106  -0.973   4.090  25.181
  724   2HD   PRO 106          2HD       PRO 106  -2.049   5.204  24.313
  725    H    ALA 107           H        ALA 107   3.052   6.490  22.157
  726    HA   ALA 107           HA       ALA 107   4.546   4.345  23.622
  727   1HB   ALA 107          1HB       ALA 107   4.463   5.321  20.882
  728   2HB   ALA 107          3HB       ALA 107   6.106   5.349  21.523
  729   3HB   ALA 107          2HB       ALA 107   5.189   3.843  21.512
  730    H    ALA 108           H        ALA 108   5.156   7.570  22.209
  731    HA   ALA 108           HA       ALA 108   7.459   8.254  23.654
  732   1HB   ALA 108          1HB       ALA 108   6.951   9.816  22.054
  733   2HB   ALA 108          3HB       ALA 108   5.213   9.636  22.295
  734   3HB   ALA 108          2HB       ALA 108   6.157  10.632  23.403
  735    H    ASP 109           H        ASP 109   7.836   8.831  25.778
  736    HA   ASP 109           HA       ASP 109   6.171   8.295  27.924
  737   1HB   ASP 109          1HB       ASP 109   8.649   9.210  27.648
  738   2HB   ASP 109          2HB       ASP 109   7.880  10.762  27.977
  739    H    GLU 110           H        GLU 110   6.692  11.675  26.859
  740    HA   GLU 110           HA       GLU 110   3.942  12.329  27.812
  741   1HB   GLU 110          1HB       GLU 110   6.503  13.828  27.284
  742   2HB   GLU 110          2HB       GLU 110   4.977  14.701  27.425
  743   1HG   GLU 110          1HG       GLU 110   5.576  14.698  29.649
  744   2HG   GLU 110          2HG       GLU 110   4.753  13.139  29.598
  745    H    VAL 111           H        VAL 111   2.353  12.725  26.312
  746    HA   VAL 111           HA       VAL 111   3.187  13.410  23.514
  747    HB   VAL 111           HB       VAL 111   1.039  11.481  24.454
  748   1HG1  VAL 111          1HG1      VAL 111   1.553  12.824  21.913
  749   2HG1  VAL 111          2HG1      VAL 111   1.582  11.069  21.751
  750   3HG1  VAL 111          3HG1      VAL 111   0.156  11.868  22.411
  751   1HG2  VAL 111          1HG2      VAL 111   3.385  10.679  24.746
  752   2HG2  VAL 111          2HG2      VAL 111   2.498   9.747  23.540
  753   3HG2  VAL 111          3HG2      VAL 111   3.667  10.964  23.028
  754    H    LYS 112           H        LYS 112   2.028  15.102  22.637
  755    HA   LYS 112           HA       LYS 112  -0.235  16.208  24.256
  756   1HB   LYS 112          1HB       LYS 112   1.393  17.549  22.083
  757   2HB   LYS 112          2HB       LYS 112   0.414  18.323  23.328
  758   1HG   LYS 112          1HG       LYS 112   1.937  17.567  25.066
  759   2HG   LYS 112          2HG       LYS 112   2.860  16.624  23.897
  760   1HD   LYS 112          1HD       LYS 112   4.032  18.437  23.223
  761   2HD   LYS 112          2HD       LYS 112   2.571  19.416  23.083
  762   1HE   LYS 112          1HE       LYS 112   2.592  19.817  25.520
  763   2HE   LYS 112          2HE       LYS 112   4.046  18.812  25.674
  764   1HZ   LYS 112          1HZ       LYS 112   4.984  20.316  23.855
  765   2HZ   LYS 112          2HZ       LYS 112   3.716  21.380  24.233
  766   3HZ   LYS 112          3HZ       LYS 112   4.866  20.975  25.415
  767    H    ILE 113           H        ILE 113  -2.223  16.616  23.226
  768    HA   ILE 113           HA       ILE 113  -2.509  16.299  20.318
  769    HB   ILE 113           HB       ILE 113  -2.380  13.983  21.249
  770   1HG1  ILE 113          1HG1      ILE 113  -5.198  13.976  20.556
  771   2HG1  ILE 113          2HG1      ILE 113  -4.295  15.062  19.501
  772   1HG2  ILE 113          1HG2      ILE 113  -3.348  14.568  23.473
  773   2HG2  ILE 113          2HG2      ILE 113  -4.919  14.788  22.701
  774   3HG2  ILE 113          3HG2      ILE 113  -4.163  13.195  22.725
  775   1HD1  ILE 113          1HD1      ILE 113  -2.638  12.841  19.710
  776   2HD1  ILE 113          2HD1      ILE 113  -4.254  12.139  19.631
  777   3HD1  ILE 113          3HD1      ILE 113  -3.694  13.211  18.348
  778    H    VAL 114           H        VAL 114  -4.486  17.172  19.588
  779    HA   VAL 114           HA       VAL 114  -6.024  18.708  21.616
  780    HB   VAL 114           HB       VAL 114  -6.305  18.699  18.603
  781   1HG1  VAL 114          1HG1      VAL 114  -7.839  19.938  20.403
  782   2HG1  VAL 114          2HG1      VAL 114  -6.523  21.112  20.352
  783   3HG1  VAL 114          3HG1      VAL 114  -7.407  20.713  18.878
  784   1HG2  VAL 114          1HG2      VAL 114  -4.110  19.732  20.320
  785   2HG2  VAL 114          2HG2      VAL 114  -4.073  19.226  18.632
  786   3HG2  VAL 114          3HG2      VAL 114  -4.698  20.818  19.063
  787    H    TYR 115           H        TYR 115  -8.013  17.969  22.296
  788    HA   TYR 115           HA       TYR 115  -9.170  15.602  20.923
  789   1HB   TYR 115          2HB       TYR 115  -9.800  15.043  23.034
  790   2HB   TYR 115          1HB       TYR 115  -8.771  16.368  23.564
  791    HD1  TYR 115           HD1      TYR 115  -9.731  18.550  24.177
  792    HD2  TYR 115           HD2      TYR 115 -12.224  15.262  22.984
  793    HE1  TYR 115           HE1      TYR 115 -11.717  19.733  25.069
  794    HE2  TYR 115           HE2      TYR 115 -14.212  16.447  23.878
  795    HH   TYR 115           HH       TYR 115 -14.552  19.380  24.330
  796    H    ASN 116           H        ASN 116 -11.438  15.581  20.302
  797    HA   ASN 116           HA       ASN 116 -13.447  16.528  19.475
  798   1HB   ASN 116          1HB       ASN 116 -12.577  18.144  21.629
  799   2HB   ASN 116          2HB       ASN 116 -13.025  19.255  20.335
  800   2HD2  ASN 116          2HD2      ASN 116 -14.715  19.398  22.441
  801   1HD2  ASN 116          1HD2      ASN 116 -16.167  18.568  22.151
  802    H    ALA 117           H        ALA 117 -11.372  16.310  17.694
  803    HA   ALA 117           HA       ALA 117 -10.491  18.720  16.431
  804   1HB   ALA 117          1HB       ALA 117  -9.814  16.194  16.211
  805   2HB   ALA 117          3HB       ALA 117  -9.688  17.235  14.793
  806   3HB   ALA 117          2HB       ALA 117 -11.067  16.149  14.970
  807    H    LYS 118           H        LYS 118 -13.556  17.070  16.385
  808    HA   LYS 118           HA       LYS 118 -14.725  17.693  13.954
  809   1HB   LYS 118          2HB       LYS 118 -16.817  17.846  15.255
  810   2HB   LYS 118          1HB       LYS 118 -15.789  16.562  15.892
  811   1HG   LYS 118          1HG       LYS 118 -16.123  17.585  17.897
  812   2HG   LYS 118          2HG       LYS 118 -14.905  18.726  17.325
  813   1HD   LYS 118          1HD       LYS 118 -16.986  19.850  18.144
  814   2HD   LYS 118          2HD       LYS 118 -16.637  20.201  16.452
  815   1HE   LYS 118          1HE       LYS 118 -18.494  19.071  15.713
  816   2HE   LYS 118          2HE       LYS 118 -18.323  17.801  16.939
  817    H    HIS 119           H        HIS 119 -13.707  19.922  16.459
  818    HA   HIS 119           HA       HIS 119 -15.198  22.238  15.657
  819   1HB   HIS 119          1HB       HIS 119 -12.509  21.831  17.002
  820   2HB   HIS 119          2HB       HIS 119 -13.332  23.388  16.913
  821    HD1  HIS 119           HD1      HIS 119 -16.190  22.684  17.538
  822    HD2  HIS 119           HD2      HIS 119 -12.992  20.954  19.576
  823    HE1  HIS 119           HE1      HIS 119 -17.110  21.864  19.750
  824    H    LEU 120           H        LEU 120 -12.498  20.597  14.238
  825    HA   LEU 120           HA       LEU 120 -10.943  22.448  12.939
  826   1HB   LEU 120          1HB       LEU 120 -11.780  19.753  12.590
  827   2HB   LEU 120          2HB       LEU 120 -11.864  20.524  11.006
  828    HG   LEU 120           HG       LEU 120  -9.464  21.405  12.286
  829   1HD1  LEU 120          1HD1      LEU 120 -10.077  19.057  13.449
  830   2HD1  LEU 120          2HD1      LEU 120  -9.309  18.446  11.984
  831   3HD1  LEU 120          3HD1      LEU 120  -8.416  19.513  13.067
  832   1HD2  LEU 120          1HD2      LEU 120 -10.364  20.058   9.828
  833   2HD2  LEU 120          2HD2      LEU 120  -9.160  21.330  10.036
  834   3HD2  LEU 120          3HD2      LEU 120  -8.718  19.644  10.306
  835    H    ASP 121           H        ASP 121 -11.440  24.270  11.789
  836    HA   ASP 121           HA       ASP 121 -13.968  25.149  10.990
  837   1HB   ASP 121          1HB       ASP 121 -11.573  26.229  11.021
  838   2HB   ASP 121          2HB       ASP 121 -11.509  25.695   9.341
  839    H    TYR 122           H        TYR 122 -11.819  22.887   9.363
  840    HA   TYR 122           HA       TYR 122 -13.062  22.927   6.772
  841   1HB   TYR 122          1HB       TYR 122 -10.869  21.996   7.104
  842   2HB   TYR 122          2HB       TYR 122 -11.461  20.894   8.347
  843    HD1  TYR 122           HD1      TYR 122 -12.275  21.802   4.788
  844    HD2  TYR 122           HD2      TYR 122 -11.786  18.687   7.704
  845    HE1  TYR 122           HE1      TYR 122 -12.752  20.099   3.050
  846    HE2  TYR 122           HE2      TYR 122 -12.264  16.984   5.966
  847    HH   TYR 122           HH       TYR 122 -12.180  16.761   3.544
  848    H    LEU 123           H        LEU 123 -13.789  21.231   9.778
  849    HA   LEU 123           HA       LEU 123 -16.007  19.745   8.435
  850   1HB   LEU 123          1HB       LEU 123 -14.726  19.509  11.179
  851   2HB   LEU 123          2HB       LEU 123 -15.946  18.416  10.528
  852    HG   LEU 123           HG       LEU 123 -13.151  18.880   9.454
  853   1HD1  LEU 123          1HD1      LEU 123 -14.576  16.488  10.652
  854   2HD1  LEU 123          2HD1      LEU 123 -12.994  16.405   9.877
  855   3HD1  LEU 123          3HD1      LEU 123 -13.208  17.360  11.344
  856   1HD2  LEU 123          1HD2      LEU 123 -15.607  17.777   8.206
  857   2HD2  LEU 123          2HD2      LEU 123 -14.187  18.499   7.449
  858   3HD2  LEU 123          3HD2      LEU 123 -14.142  16.820   7.990
  859    H    GLN 124           H        GLN 124 -15.338  22.340  10.670
  860    HA   GLN 124           HA       GLN 124 -17.621  22.506  12.261
  861   1HB   GLN 124          1HB       GLN 124 -15.876  24.093  12.523
  862   2HB   GLN 124          2HB       GLN 124 -15.926  24.548  10.821
  863   1HG   GLN 124          1HG       GLN 124 -17.474  26.133  11.232
  864   2HG   GLN 124          2HG       GLN 124 -18.514  24.968  12.051
  865   2HE2  GLN 124          2HE2      GLN 124 -15.273  26.377  12.837
  866   1HE2  GLN 124          1HE2      GLN 124 -15.703  26.849  14.409
  867    H    ASN 125           H        ASN 125 -17.315  23.205   8.813
  868    HA   ASN 125           HA       ASN 125 -19.738  24.603   8.358
  869   1HB   ASN 125          1HB       ASN 125 -17.768  22.992   6.868
  870   2HB   ASN 125          2HB       ASN 125 -19.369  23.027   6.127
  871   2HD2  ASN 125          2HD2      ASN 125 -19.448  24.683   4.603
  872   1HD2  ASN 125          1HD2      ASN 125 -18.749  26.217   4.791
  873    H    ARG 126           H        ARG 126 -19.147  21.188   8.958
  874    HA   ARG 126           HA       ARG 126 -21.466  19.976   7.947
  875   1HB   ARG 126          1HB       ARG 126 -19.811  19.557  10.444
  876   2HB   ARG 126          2HB       ARG 126 -21.106  18.450   9.990
  877   1HG   ARG 126          1HG       ARG 126 -19.515  18.951   7.668
  878   2HG   ARG 126          2HG       ARG 126 -18.430  18.534   8.994
  879   1HD   ARG 126          1HD       ARG 126 -19.345  16.401   9.245
  880   2HD   ARG 126          2HD       ARG 126 -20.915  16.888   8.580
  881    HE   ARG 126           HE       ARG 126 -18.507  16.887   6.810
  882   1HH1  ARG 126          1HH1      ARG 126 -21.235  15.149   7.893
  883   2HH1  ARG 126          2HH1      ARG 126 -21.697  14.599   6.317
  884   1HH2  ARG 126          1HH2      ARG 126 -19.264  16.438   4.670
  885   2HH2  ARG 126          2HH2      ARG 126 -20.579  15.326   4.492
  886    H    VAL 127           H        VAL 127 -21.055  21.700  11.050
  887    HA   VAL 127           HA       VAL 127 -23.529  21.226  12.261
  888    HB   VAL 127           HB       VAL 127 -21.488  22.577  13.028
  889   1HG1  VAL 127          1HG1      VAL 127 -22.284  24.178  10.846
  890   2HG1  VAL 127          2HG1      VAL 127 -22.661  25.117  12.290
  891   3HG1  VAL 127          3HG1      VAL 127 -21.017  24.536  12.019
  892   1HG2  VAL 127          1HG2      VAL 127 -23.726  22.415  14.224
  893   2HG2  VAL 127          2HG2      VAL 127 -22.789  23.866  14.581
  894   3HG2  VAL 127          3HG2      VAL 127 -24.152  23.948  13.465
  895    H    ILE 128           H        ILE 128 -25.467  22.695  12.334
  896    HA   ILE 128           HA       ILE 128 -26.001  23.983   9.676
  897    HB   ILE 128           HB       ILE 128 -27.867  22.333  11.413
  898   1HG1  ILE 128          2HG1      ILE 128 -27.607  20.983   9.061
  899   2HG1  ILE 128          1HG1      ILE 128 -25.987  21.661   9.226
  900   1HG2  ILE 128          1HG2      ILE 128 -28.228  24.073   9.068
  901   2HG2  ILE 128          2HG2      ILE 128 -28.911  22.460   8.865
  902   3HG2  ILE 128          3HG2      ILE 128 -29.425  23.472  10.215
  903   1HD1  ILE 128          1HD1      ILE 128 -27.187  20.447  11.666
  904   2HD1  ILE 128          2HD1      ILE 128 -26.699  19.337  10.385
  905   3HD1  ILE 128          3HD1      ILE 128 -25.514  20.427  11.108

  No H/Q in entry =         905
  Start of MODEL   19
    1    H2   PRO   1           H2       PRO   1   3.456   7.833  30.859
    2    H3   PRO   1           H3       PRO   1   4.492   6.950  29.836
    3    HA   PRO   1           HA       PRO   1   2.949   7.072  28.256
    4   1HB   PRO   1          1HB       PRO   1   0.794   5.657  29.172
    5   2HB   PRO   1          2HB       PRO   1   2.319   4.891  28.689
    6   1HG   PRO   1          2HG       PRO   1   1.298   5.547  31.411
    7   2HG   PRO   1          1HG       PRO   1   2.177   4.116  30.852
    8   1HD   PRO   1          1HD       PRO   1   3.347   6.162  32.223
    9   2HD   PRO   1          2HD       PRO   1   4.220   5.136  31.067
   10    H    THR   2           H        THR   2   2.894   9.472  29.499
   11    HA   THR   2           HA       THR   2   0.037  10.051  30.174
   12    HB   THR   2           HB       THR   2   2.674  11.458  30.677
   13    HG1  THR   2           HG1      THR   2   2.520  10.392  32.456
   14   1HG2  THR   2          1HG2      THR   2  -0.165  12.375  31.159
   15   2HG2  THR   2          2HG2      THR   2   1.213  13.048  32.031
   16   3HG2  THR   2          3HG2      THR   2   1.110  13.218  30.278
   17    H    VAL   3           H        VAL   3  -1.148  11.366  28.813
   18    HA   VAL   3           HA       VAL   3   0.307  12.743  26.579
   19    HB   VAL   3           HB       VAL   3  -2.368  11.309  26.497
   20   1HG1  VAL   3          1HG1      VAL   3  -0.674  12.766  24.478
   21   2HG1  VAL   3          2HG1      VAL   3  -1.772  11.485  23.963
   22   3HG1  VAL   3          3HG1      VAL   3  -2.405  12.914  24.781
   23   1HG2  VAL   3          1HG2      VAL   3   0.326  10.294  26.403
   24   2HG2  VAL   3          2HG2      VAL   3  -1.190   9.402  26.282
   25   3HG2  VAL   3          3HG2      VAL   3  -0.439  10.067  24.831
   26    H    GLU   4           H        GLU   4  -0.257  14.900  26.384
   27    HA   GLU   4           HA       GLU   4  -2.307  15.978  28.227
   28   1HB   GLU   4          1HB       GLU   4   0.157  16.795  27.005
   29   2HB   GLU   4          2HB       GLU   4  -1.095  17.958  26.568
   30   1HG   GLU   4          2HG       GLU   4  -0.949  18.856  28.626
   31   2HG   GLU   4          1HG       GLU   4  -1.468  17.317  29.313
   32    H    TYR   5           H        TYR   5  -4.372  16.378  27.527
   33    HA   TYR   5           HA       TYR   5  -4.872  16.480  24.582
   34   1HB   TYR   5          2HB       TYR   5  -7.179  15.920  25.248
   35   2HB   TYR   5          1HB       TYR   5  -6.037  14.783  25.960
   36    HD1  TYR   5           HD1      TYR   5  -7.867  17.968  26.698
   37    HD2  TYR   5           HD2      TYR   5  -6.007  14.435  28.281
   38    HE1  TYR   5           HE1      TYR   5  -8.706  18.540  28.961
   39    HE2  TYR   5           HE2      TYR   5  -6.842  15.007  30.543
   40    HH   TYR   5           HH       TYR   5  -8.883  16.425  31.441
   41    H    LEU   6           H        LEU   6  -5.866  18.286  23.662
   42    HA   LEU   6           HA       LEU   6  -6.629  20.542  25.475
   43   1HB   LEU   6          1HB       LEU   6  -4.255  20.345  24.054
   44   2HB   LEU   6          2HB       LEU   6  -5.273  21.311  22.986
   45    HG   LEU   6           HG       LEU   6  -4.648  21.887  25.898
   46   1HD1  LEU   6          1HD1      LEU   6  -3.040  22.410  23.840
   47   2HD1  LEU   6          2HD1      LEU   6  -4.145  23.769  23.626
   48   3HD1  LEU   6          3HD1      LEU   6  -3.261  23.580  25.141
   49   1HD2  LEU   6          1HD2      LEU   6  -7.034  22.404  24.981
   50   2HD2  LEU   6          2HD2      LEU   6  -6.158  23.689  25.813
   51   3HD2  LEU   6          3HD2      LEU   6  -6.227  23.667  24.051
   52    H    ASN   7           H        ASN   7  -8.658  21.226  24.918
   53    HA   ASN   7           HA       ASN   7 -10.162  20.224  22.723
   54   1HB   ASN   7          1HB       ASN   7 -10.972  21.276  24.862
   55   2HB   ASN   7          2HB       ASN   7 -10.493  22.844  24.215
   56   2HD2  ASN   7          2HD2      ASN   7 -12.823  23.479  24.271
   57   1HD2  ASN   7          1HD2      ASN   7 -13.876  22.928  23.059
   58    H    TYR   8           H        TYR   8  -9.808  20.648  20.575
   59    HA   TYR   8           HA       TYR   8  -8.102  22.673  19.544
   60   1HB   TYR   8          1HB       TYR   8  -8.575  20.904  18.103
   61   2HB   TYR   8          2HB       TYR   8 -10.283  20.885  18.525
   62    HD1  TYR   8           HD1      TYR   8 -11.787  22.724  17.670
   63    HD2  TYR   8           HD2      TYR   8  -7.768  22.180  16.257
   64    HE1  TYR   8           HE1      TYR   8 -12.307  24.092  15.672
   65    HE2  TYR   8           HE2      TYR   8  -8.285  23.556  14.259
   66    HH   TYR   8           HH       TYR   8 -10.711  25.592  14.006
   67    H    GLU   9           H        GLU   9 -11.482  22.783  20.493
   68    HA   GLU   9           HA       GLU   9 -12.214  25.185  19.076
   69   1HB   GLU   9          1HB       GLU   9 -13.742  23.475  20.094
   70   2HB   GLU   9          2HB       GLU   9 -13.263  24.053  21.690
   71   1HG   GLU   9          1HG       GLU   9 -13.987  26.382  20.888
   72   2HG   GLU   9          2HG       GLU   9 -14.761  25.555  19.537
   73    H    THR  10           H        THR  10 -10.872  24.587  22.324
   74    HA   THR  10           HA       THR  10 -11.047  27.239  23.344
   75    HB   THR  10           HB       THR  10  -9.035  25.008  23.779
   76    HG1  THR  10           HG1      THR  10 -11.548  25.103  24.298
   77   1HG2  THR  10          1HG2      THR  10  -9.411  27.675  25.060
   78   2HG2  THR  10          2HG2      THR  10  -9.018  26.311  26.107
   79   3HG2  THR  10          3HG2      THR  10  -7.929  26.757  24.793
   80    H    LEU  11           H        LEU  11  -8.699  25.720  21.176
   81    HA   LEU  11           HA       LEU  11  -6.717  27.817  21.286
   82   1HB   LEU  11          1HB       LEU  11  -6.041  25.711  20.453
   83   2HB   LEU  11          2HB       LEU  11  -7.457  25.569  19.412
   84    HG   LEU  11           HG       LEU  11  -6.611  27.361  17.971
   85   1HD1  LEU  11          1HD1      LEU  11  -5.111  28.036  20.253
   86   2HD1  LEU  11          2HD1      LEU  11  -3.926  27.531  19.047
   87   3HD1  LEU  11          3HD1      LEU  11  -5.059  28.831  18.680
   88   1HD2  LEU  11          1HD2      LEU  11  -5.869  25.008  17.580
   89   2HD2  LEU  11          2HD2      LEU  11  -4.684  26.195  17.035
   90   3HD2  LEU  11          3HD2      LEU  11  -4.433  25.332  18.553
   91    H    ASP  12           H        ASP  12  -9.453  27.149  19.089
   92    HA   ASP  12           HA       ASP  12  -8.985  29.482  17.420
   93   1HB   ASP  12          1HB       ASP  12 -10.874  27.238  17.708
   94   2HB   ASP  12          2HB       ASP  12 -11.612  28.711  17.079
   95    H    ASP  13           H        ASP  13 -11.487  28.705  19.879
   96    HA   ASP  13           HA       ASP  13 -12.920  31.091  19.930
   97   1HB   ASP  13          1HB       ASP  13 -12.454  28.811  21.587
   98   2HB   ASP  13          2HB       ASP  13 -12.403  30.239  22.621
   99    H    GLN  14           H        GLN  14 -10.161  30.424  22.133
  100    HA   GLN  14           HA       GLN  14  -9.876  33.156  22.976
  101   1HB   GLN  14          1HB       GLN  14  -9.078  31.138  24.186
  102   2HB   GLN  14          2HB       GLN  14  -7.887  30.863  22.914
  103   1HG   GLN  14          1HG       GLN  14  -6.531  32.102  24.271
  104   2HG   GLN  14          2HG       GLN  14  -7.367  33.466  23.529
  105   2HE2  GLN  14          2HE2      GLN  14  -7.797  31.172  26.290
  106   1HE2  GLN  14          1HE2      GLN  14  -8.477  32.326  27.331
  107    H    GLY  15           H        GLY  15  -8.972  31.558  20.066
  108   1HA   GLY  15          2HA       GLY  15  -7.892  33.964  18.914
  109   2HA   GLY  15          1HA       GLY  15  -7.847  32.366  18.168
  110    H    TRP  16           H        TRP  16  -6.359  30.934  20.028
  111    HA   TRP  16           HA       TRP  16  -3.869  32.438  20.576
  112   1HB   TRP  16          1HB       TRP  16  -5.257  30.039  21.483
  113   2HB   TRP  16          2HB       TRP  16  -3.546  29.726  21.190
  114    HD1  TRP  16           HD1      TRP  16  -3.014  29.574  23.785
  115    HE1  TRP  16           HE1      TRP  16  -2.751  31.385  25.600
  116    HE3  TRP  16           HE3      TRP  16  -5.137  33.547  21.379
  117    HZ2  TRP  16           HZ2      TRP  16  -3.360  34.155  25.979
  118    HZ3  TRP  16           HZ3      TRP  16  -5.282  35.757  22.488
  119    HH2  TRP  16           HH2      TRP  16  -4.397  36.066  24.783
  120    H    ASP  17           H        ASP  17  -1.826  30.856  20.085
  121    HA   ASP  17           HA       ASP  17  -1.852  30.492  17.137
  122   1HB   ASP  17          1HB       ASP  17   0.347  30.479  19.230
  123   2HB   ASP  17          2HB       ASP  17   0.610  30.426  17.487
  124    H    MET  18           H        MET  18  -0.330  28.546  16.454
  125    HA   MET  18           HA       MET  18  -1.621  26.099  17.282
  126   1HB   MET  18          1HB       MET  18   0.371  27.070  15.366
  127   2HB   MET  18          2HB       MET  18   0.737  25.449  15.956
  128   1HG   MET  18          1HG       MET  18  -2.051  26.160  15.061
  129   2HG   MET  18          2HG       MET  18  -0.825  25.684  13.886
  130   1HE   MET  18          1HE       MET  18   0.891  24.046  14.682
  131   2HE   MET  18          2HE       MET  18   0.540  22.473  15.391
  132   3HE   MET  18          3HE       MET  18   0.038  22.818  13.738
  133    H    ASP  19           H        ASP  19   1.672  27.402  17.831
  134    HA   ASP  19           HA       ASP  19   1.824  25.809  20.340
  135   1HB   ASP  19          1HB       ASP  19   4.142  25.064  19.512
  136   2HB   ASP  19          2HB       ASP  19   2.753  24.309  18.733
  137    H    ASP  20           H        ASP  20   1.958  28.748  19.104
  138    HA   ASP  20           HA       ASP  20   4.551  29.753  19.946
  139   1HB   ASP  20          1HB       ASP  20   2.848  30.677  18.239
  140   2HB   ASP  20          2HB       ASP  20   1.975  31.307  19.638
  141    H    ASP  21           H        ASP  21   1.252  30.092  21.322
  142    HA   ASP  21           HA       ASP  21   2.284  31.219  23.816
  143   1HB   ASP  21          2HB       ASP  21  -0.450  30.196  22.991
  144   2HB   ASP  21          1HB       ASP  21  -0.117  31.188  24.410
  145    H    ASP  22           H        ASP  22   2.567  28.180  22.713
  146    HA   ASP  22           HA       ASP  22   2.598  26.031  23.724
  147   1HB   ASP  22          1HB       ASP  22   4.304  27.723  24.869
  148   2HB   ASP  22          2HB       ASP  22   3.251  27.487  26.263
  149    H    LEU  23           H        LEU  23   0.001  26.710  23.575
  150    HA   LEU  23           HA       LEU  23  -1.679  27.237  25.660
  151   1HB   LEU  23          1HB       LEU  23  -1.777  24.956  23.665
  152   2HB   LEU  23          2HB       LEU  23  -3.163  25.467  24.630
  153    HG   LEU  23           HG       LEU  23  -2.295  27.861  23.612
  154   1HD1  LEU  23          1HD1      LEU  23  -0.981  25.885  22.083
  155   2HD1  LEU  23          2HD1      LEU  23  -2.310  26.465  21.077
  156   3HD1  LEU  23          3HD1      LEU  23  -1.119  27.603  21.707
  157   1HD2  LEU  23          1HD2      LEU  23  -4.615  27.019  23.665
  158   2HD2  LEU  23          2HD2      LEU  23  -4.214  27.660  22.071
  159   3HD2  LEU  23          3HD2      LEU  23  -4.245  25.917  22.338
  160    H    PHE  24           H        PHE  24  -0.436  23.908  25.104
  161    HA   PHE  24           HA       PHE  24  -1.432  22.624  27.361
  162   1HB   PHE  24          1HB       PHE  24   1.173  22.462  25.845
  163   2HB   PHE  24          2HB       PHE  24   0.853  21.372  27.193
  164    HD1  PHE  24           HD1      PHE  24  -1.646  20.333  27.131
  165    HD2  PHE  24           HD2      PHE  24   0.583  21.710  23.726
  166    HE1  PHE  24           HE1      PHE  24  -3.027  18.902  25.648
  167    HE2  PHE  24           HE2      PHE  24  -0.798  20.280  22.244
  168    HZ   PHE  24           HZ       PHE  24  -2.602  18.876  23.204
  169    H    GLU  25           H        GLU  25   1.068  25.044  27.167
  170    HA   GLU  25           HA       GLU  25   1.855  24.634  30.012
  171   1HB   GLU  25          1HB       GLU  25   3.573  24.903  28.259
  172   2HB   GLU  25          2HB       GLU  25   2.878  26.461  27.812
  173   1HG   GLU  25          1HG       GLU  25   3.272  27.190  30.221
  174   2HG   GLU  25          2HG       GLU  25   4.217  25.715  30.424
  175    H    LYS  26           H        LYS  26   0.863  27.359  27.894
  176    HA   LYS  26           HA       LYS  26   0.354  29.186  30.053
  177   1HB   LYS  26          1HB       LYS  26   0.391  29.133  27.235
  178   2HB   LYS  26          2HB       LYS  26  -1.238  29.646  27.672
  179   1HG   LYS  26          1HG       LYS  26   0.075  31.645  27.561
  180   2HG   LYS  26          2HG       LYS  26  -0.141  31.302  29.277
  181   1HD   LYS  26          1HD       LYS  26   2.112  29.921  28.909
  182   2HD   LYS  26          2HD       LYS  26   2.315  31.071  27.587
  183   1HE   LYS  26          1HE       LYS  26   1.503  32.715  29.651
  184   2HE   LYS  26          2HE       LYS  26   2.506  31.518  30.492
  185   1HZ   LYS  26          1HZ       LYS  26   4.121  31.815  28.588
  186   2HZ   LYS  26          2HZ       LYS  26   3.225  33.188  28.145
  187   3HZ   LYS  26          3HZ       LYS  26   3.998  33.129  29.656
  188    H    ALA  27           H        ALA  27  -1.589  26.707  28.497
  189    HA   ALA  27           HA       ALA  27  -4.198  27.520  29.256
  190   1HB   ALA  27          1HB       ALA  27  -3.570  25.656  27.727
  191   2HB   ALA  27          3HB       ALA  27  -2.993  24.736  29.116
  192   3HB   ALA  27          2HB       ALA  27  -4.705  25.129  28.969
  193    H    ALA  28           H        ALA  28  -1.597  26.089  31.136
  194    HA   ALA  28           HA       ALA  28  -3.201  25.249  33.394
  195   1HB   ALA  28          1HB       ALA  28  -0.492  25.230  32.490
  196   2HB   ALA  28          3HB       ALA  28  -0.508  25.936  34.107
  197   3HB   ALA  28          2HB       ALA  28  -1.187  24.330  33.840
  198    H    ASP  29           H        ASP  29  -1.821  28.300  32.371
  199    HA   ASP  29           HA       ASP  29  -2.033  29.584  34.996
  200   1HB   ASP  29          1HB       ASP  29  -0.572  30.001  32.760
  201   2HB   ASP  29          2HB       ASP  29  -1.883  31.142  32.463
  202    H    ALA  30           H        ALA  30  -4.097  29.094  32.219
  203    HA   ALA  30           HA       ALA  30  -5.963  31.253  32.927
  204   1HB   ALA  30          1HB       ALA  30  -5.608  29.170  30.826
  205   2HB   ALA  30          3HB       ALA  30  -7.248  29.766  31.087
  206   3HB   ALA  30          2HB       ALA  30  -5.961  30.889  30.649
  207    H    GLY  31           H        GLY  31  -6.111  27.686  32.831
  208   1HA   GLY  31          2HA       GLY  31  -7.995  27.775  35.132
  209   2HA   GLY  31          1HA       GLY  31  -7.082  26.357  34.618
  210    H    LEU  32           H        LEU  32  -7.645  25.857  32.118
  211    HA   LEU  32           HA       LEU  32 -10.437  26.354  31.381
  212   1HB   LEU  32          1HB       LEU  32  -8.139  24.715  30.293
  213   2HB   LEU  32          2HB       LEU  32  -9.730  24.717  29.531
  214    HG   LEU  32           HG       LEU  32  -8.678  27.401  30.160
  215   1HD1  LEU  32          1HD1      LEU  32  -7.328  25.612  28.117
  216   2HD1  LEU  32          2HD1      LEU  32  -7.137  27.365  28.182
  217   3HD1  LEU  32          3HD1      LEU  32  -6.571  26.365  29.521
  218   1HD2  LEU  32          1HD2      LEU  32 -10.157  25.973  27.986
  219   2HD2  LEU  32          2HD2      LEU  32 -10.567  27.470  28.823
  220   3HD2  LEU  32          3HD2      LEU  32  -9.321  27.471  27.575
  221    H    ASP  33           H        ASP  33 -11.806  24.354  30.771
  222    HA   ASP  33           HA       ASP  33 -12.152  22.688  33.128
  223   1HB   ASP  33          1HB       ASP  33 -13.363  22.826  30.357
  224   2HB   ASP  33          2HB       ASP  33 -13.906  21.658  31.560
  225    H    GLY  34           H        GLY  34 -11.839  20.394  33.245
  226   1HA   GLY  34          2HA       GLY  34 -10.614  18.424  32.885
  227   2HA   GLY  34          1HA       GLY  34  -9.512  19.386  31.899
  228    H    GLU  35           H        GLU  35 -12.940  19.239  31.180
  229    HA   GLU  35           HA       GLU  35 -12.898  17.044  29.333
  230   1HB   GLU  35          1HB       GLU  35 -14.922  18.010  30.343
  231   2HB   GLU  35          2HB       GLU  35 -14.627  19.536  29.506
  232   1HG   GLU  35          1HG       GLU  35 -15.575  18.760  27.611
  233   2HG   GLU  35          2HG       GLU  35 -14.590  17.299  27.650
  234    H    ASP  36           H        ASP  36 -11.470  20.128  29.131
  235    HA   ASP  36           HA       ASP  36 -11.309  19.916  26.137
  236   1HB   ASP  36          1HB       ASP  36 -11.580  22.237  28.050
  237   2HB   ASP  36          2HB       ASP  36 -10.947  22.479  26.422
  238    H    TYR  37           H        TYR  37  -9.602  21.235  29.006
  239    HA   TYR  37           HA       TYR  37  -7.019  20.512  27.657
  240   1HB   TYR  37          1HB       TYR  37  -7.153  22.871  27.627
  241   2HB   TYR  37          2HB       TYR  37  -7.935  22.935  29.206
  242    HD1  TYR  37           HD1      TYR  37  -4.781  21.462  27.779
  243    HD2  TYR  37           HD2      TYR  37  -6.598  23.768  30.918
  244    HE1  TYR  37           HE1      TYR  37  -2.570  21.722  28.870
  245    HE2  TYR  37           HE2      TYR  37  -4.385  24.025  32.008
  246    HH   TYR  37           HH       TYR  37  -1.435  22.708  30.512
  247    H    GLY  38           H        GLY  38  -5.576  19.350  28.934
  248   1HA   GLY  38          2HA       GLY  38  -6.556  18.267  31.458
  249   2HA   GLY  38          1HA       GLY  38  -5.198  19.371  31.669
  250    H    THR  39           H        THR  39  -4.081  17.386  32.472
  251    HA   THR  39           HA       THR  39  -2.539  16.143  30.302
  252    HB   THR  39           HB       THR  39  -2.304  15.314  33.160
  253    HG1  THR  39           HG1      THR  39  -1.201  17.358  33.522
  254   1HG2  THR  39          1HG2      THR  39  -0.587  15.780  30.788
  255   2HG2  THR  39          2HG2      THR  39   0.133  16.176  32.349
  256   3HG2  THR  39          3HG2      THR  39  -0.466  14.546  32.043
  257    H    MET  40           H        MET  40  -3.121  14.217  29.382
  258    HA   MET  40           HA       MET  40  -5.204  12.554  30.690
  259   1HB   MET  40          1HB       MET  40  -4.533  13.334  28.065
  260   2HB   MET  40          2HB       MET  40  -4.186  11.607  28.145
  261   1HG   MET  40          1HG       MET  40  -6.435  11.153  28.972
  262   2HG   MET  40          2HG       MET  40  -6.789  12.881  29.041
  263   1HE   MET  40          1HE       MET  40  -6.338   9.782  27.336
  264   2HE   MET  40          2HE       MET  40  -6.895   9.961  25.667
  265   3HE   MET  40          3HE       MET  40  -5.233  10.361  26.091
  266    H    GLU  41           H        GLU  41  -4.640  10.712  31.787
  267    HA   GLU  41           HA       GLU  41  -1.861   9.651  31.412
  268   1HB   GLU  41          1HB       GLU  41  -3.808   9.763  33.720
  269   2HB   GLU  41          2HB       GLU  41  -2.405   8.696  33.751
  270   1HG   GLU  41          1HG       GLU  41  -0.890  10.550  33.539
  271   2HG   GLU  41          2HG       GLU  41  -2.211  11.666  33.192
  272    H    VAL  42           H        VAL  42  -1.968   7.890  30.052
  273    HA   VAL  42           HA       VAL  42  -4.214   5.942  30.474
  274    HB   VAL  42           HB       VAL  42  -2.577   6.604  28.004
  275   1HG1  VAL  42          1HG1      VAL  42  -3.364   4.231  28.149
  276   2HG1  VAL  42          2HG1      VAL  42  -5.016   4.827  28.311
  277   3HG1  VAL  42          3HG1      VAL  42  -4.114   5.123  26.825
  278   1HG2  VAL  42          1HG2      VAL  42  -4.334   8.282  28.918
  279   2HG2  VAL  42          2HG2      VAL  42  -4.450   7.811  27.222
  280   3HG2  VAL  42          3HG2      VAL  42  -5.527   7.083  28.414
  281    H    ALA  43           H        ALA  43  -3.408   4.197  31.586
  282    HA   ALA  43           HA       ALA  43  -0.734   3.489  32.013
  283   1HB   ALA  43          1HB       ALA  43  -3.305   1.909  31.823
  284   2HB   ALA  43          3HB       ALA  43  -1.790   1.155  32.323
  285   3HB   ALA  43          2HB       ALA  43  -2.477   2.470  33.275
  286    H    GLU  44           H        GLU  44   0.677   1.959  30.976
  287    HA   GLU  44           HA       GLU  44   0.596   1.955  28.088
  288   1HB   GLU  44          1HB       GLU  44   2.412   1.468  30.179
  289   2HB   GLU  44          2HB       GLU  44   2.306  -0.059  29.303
  290   1HG   GLU  44          1HG       GLU  44   2.931   0.969  27.241
  291   2HG   GLU  44          2HG       GLU  44   2.693   2.590  27.895
  292    H    GLY  45           H        GLY  45  -0.802   0.685  26.941
  293   1HA   GLY  45          2HA       GLY  45  -1.296  -2.090  27.944
  294   2HA   GLY  45          1HA       GLY  45  -1.255  -1.661  26.233
  295    H    GLU  46           H        GLU  46  -2.724   0.797  27.998
  296    HA   GLU  46           HA       GLU  46  -5.453  -0.389  27.693
  297   1HB   GLU  46          1HB       GLU  46  -4.361   0.701  29.846
  298   2HB   GLU  46          2HB       GLU  46  -4.827   2.211  29.062
  299   1HG   GLU  46          1HG       GLU  46  -6.963   1.909  29.708
  300   2HG   GLU  46          2HG       GLU  46  -7.013   0.356  28.873
  301    H    TYR  47           H        TYR  47  -6.584   0.268  25.908
  302    HA   TYR  47           HA       TYR  47  -5.763   2.039  23.923
  303   1HB   TYR  47          1HB       TYR  47  -8.553   1.427  24.949
  304   2HB   TYR  47          2HB       TYR  47  -8.205   2.134  23.371
  305    HD1  TYR  47           HD1      TYR  47  -5.949   0.724  22.334
  306    HD2  TYR  47           HD2      TYR  47  -9.179  -0.805  24.717
  307    HE1  TYR  47           HE1      TYR  47  -5.556  -1.544  21.410
  308    HE2  TYR  47           HE2      TYR  47  -8.787  -3.074  23.794
  309    HH   TYR  47           HH       TYR  47  -6.286  -3.643  21.319
  310    H    ILE  48           H        ILE  48  -5.393   4.207  23.947
  311    HA   ILE  48           HA       ILE  48  -5.637   5.965  26.080
  312    HB   ILE  48           HB       ILE  48  -5.849   6.365  23.086
  313   1HG1  ILE  48          1HG1      ILE  48  -3.514   7.282  24.659
  314   2HG1  ILE  48          2HG1      ILE  48  -3.749   5.535  24.614
  315   1HG2  ILE  48          1HG2      ILE  48  -5.721   8.378  25.333
  316   2HG2  ILE  48          2HG2      ILE  48  -5.110   8.758  23.724
  317   3HG2  ILE  48          3HG2      ILE  48  -6.811   8.351  23.947
  318   1HD1  ILE  48          1HD1      ILE  48  -4.199   6.589  21.984
  319   2HD1  ILE  48          2HD1      ILE  48  -2.656   7.201  22.582
  320   3HD1  ILE  48          3HD1      ILE  48  -2.949   5.463  22.513
  321    H    LEU  49           H        LEU  49  -7.916   6.179  23.321
  322    HA   LEU  49           HA       LEU  49  -9.871   7.785  24.411
  323   1HB   LEU  49          1HB       LEU  49  -9.981   6.969  22.151
  324   2HB   LEU  49          2HB       LEU  49 -10.104   5.296  22.699
  325    HG   LEU  49           HG       LEU  49 -12.261   5.980  23.877
  326   1HD1  LEU  49          1HD1      LEU  49 -11.786   8.430  23.806
  327   2HD1  LEU  49          2HD1      LEU  49 -11.977   8.388  22.053
  328   3HD1  LEU  49          3HD1      LEU  49 -13.350   8.025  23.099
  329   1HD2  LEU  49          1HD2      LEU  49 -12.103   4.773  21.656
  330   2HD2  LEU  49          2HD2      LEU  49 -13.582   5.708  21.880
  331   3HD2  LEU  49          3HD2      LEU  49 -12.283   6.342  20.869
  332    H    GLU  50           H        GLU  50  -9.438   4.310  25.073
  333    HA   GLU  50           HA       GLU  50 -11.853   3.960  26.594
  334   1HB   GLU  50          1HB       GLU  50 -10.087   2.306  25.548
  335   2HB   GLU  50          2HB       GLU  50  -9.299   2.461  27.119
  336   1HG   GLU  50          1HG       GLU  50 -10.745   0.931  27.921
  337   2HG   GLU  50          2HG       GLU  50 -12.040   2.103  27.675
  338    H    ALA  51           H        ALA  51  -8.485   4.652  27.589
  339    HA   ALA  51           HA       ALA  51  -9.089   4.827  30.409
  340   1HB   ALA  51          1HB       ALA  51  -6.805   6.380  29.692
  341   2HB   ALA  51          3HB       ALA  51  -6.859   4.988  28.611
  342   3HB   ALA  51          2HB       ALA  51  -6.832   4.748  30.358
  343    H    ALA  52           H        ALA  52  -9.009   7.147  27.753
  344    HA   ALA  52           HA       ALA  52  -9.323   9.489  29.464
  345   1HB   ALA  52          1HB       ALA  52  -9.076   8.791  26.610
  346   2HB   ALA  52          3HB       ALA  52 -10.059  10.222  26.923
  347   3HB   ALA  52          2HB       ALA  52  -8.391  10.156  27.493
  348    H    GLU  53           H        GLU  53 -11.461   7.672  27.278
  349    HA   GLU  53           HA       GLU  53 -13.835   9.181  27.728
  350   1HB   GLU  53          1HB       GLU  53 -13.355   7.441  25.956
  351   2HB   GLU  53          2HB       GLU  53 -13.567   6.206  27.197
  352   1HG   GLU  53          1HG       GLU  53 -15.686   6.421  26.095
  353   2HG   GLU  53          2HG       GLU  53 -15.856   7.235  27.650
  354    H    ALA  54           H        ALA  54 -12.272   6.649  29.597
  355    HA   ALA  54           HA       ALA  54 -14.492   6.011  31.325
  356   1HB   ALA  54          1HB       ALA  54 -11.610   5.499  31.059
  357   2HB   ALA  54          3HB       ALA  54 -12.157   5.531  32.736
  358   3HB   ALA  54          2HB       ALA  54 -12.894   4.412  31.587
  359    H    GLN  55           H        GLN  55 -12.276   8.682  31.169
  360    HA   GLN  55           HA       GLN  55 -12.833   9.503  33.970
  361   1HB   GLN  55          1HB       GLN  55 -11.071  10.578  31.746
  362   2HB   GLN  55          2HB       GLN  55 -11.144  11.266  33.369
  363   1HG   GLN  55          1HG       GLN  55 -10.454   9.082  34.314
  364   2HG   GLN  55          2HG       GLN  55 -10.348   8.420  32.682
  365   2HE2  GLN  55          2HE2      GLN  55  -8.815  10.651  34.970
  366   1HE2  GLN  55          1HE2      GLN  55  -7.394  10.876  34.070
  367    H    GLY  56           H        GLY  56 -13.553  10.438  30.629
  368   1HA   GLY  56          2HA       GLY  56 -15.046  12.816  31.594
  369   2HA   GLY  56          1HA       GLY  56 -15.956  11.562  30.752
  370    H    TYR  57           H        TYR  57 -12.762  11.796  29.609
  371    HA   TYR  57           HA       TYR  57 -13.003  13.991  27.765
  372   1HB   TYR  57          1HB       TYR  57 -11.346  11.469  27.483
  373   2HB   TYR  57          2HB       TYR  57 -10.971  13.069  26.845
  374    HD1  TYR  57           HD1      TYR  57 -12.186  14.303  29.597
  375    HD2  TYR  57           HD2      TYR  57  -9.076  11.522  28.580
  376    HE1  TYR  57           HE1      TYR  57 -10.998  14.859  31.702
  377    HE2  TYR  57           HE2      TYR  57  -7.890  12.075  30.681
  378    HH   TYR  57           HH       TYR  57  -7.963  14.381  32.279
  379    H    ASP  58           H        ASP  58 -14.604  14.023  26.219
  380    HA   ASP  58           HA       ASP  58 -15.548  11.492  24.998
  381   1HB   ASP  58          1HB       ASP  58 -16.807  13.722  25.840
  382   2HB   ASP  58          2HB       ASP  58 -16.528  14.180  24.159
  383    H    TRP  59           H        TRP  59 -15.342  11.059  22.751
  384    HA   TRP  59           HA       TRP  59 -13.673  12.962  21.158
  385   1HB   TRP  59          1HB       TRP  59 -13.276   9.967  21.460
  386   2HB   TRP  59          2HB       TRP  59 -12.304  11.033  20.445
  387    HD1  TRP  59           HD1      TRP  59 -13.253  10.567  24.156
  388    HE1  TRP  59           HE1      TRP  59 -11.306  11.436  25.601
  389    HE3  TRP  59           HE3      TRP  59 -10.179  12.381  20.504
  390    HZ2  TRP  59           HZ2      TRP  59  -8.778  12.724  25.259
  391    HZ3  TRP  59           HZ3      TRP  59  -8.008  13.422  21.092
  392    HH2  TRP  59           HH2      TRP  59  -7.305  13.595  23.465
  393    HA   PRO  60           HA       PRO  60 -16.873  11.992  18.251
  394   1HB   PRO  60          1HB       PRO  60 -15.819  13.365  16.133
  395   2HB   PRO  60          2HB       PRO  60 -16.633  14.162  17.492
  396   1HG   PRO  60          1HG       PRO  60 -13.727  13.871  16.924
  397   2HG   PRO  60          2HG       PRO  60 -14.606  15.232  17.631
  398   1HD   PRO  60          1HD       PRO  60 -13.133  13.416  19.075
  399   2HD   PRO  60          2HD       PRO  60 -14.472  14.374  19.740
  400    H    PHE  61           H        PHE  61 -16.134   9.674  18.221
  401    HA   PHE  61           HA       PHE  61 -14.480   9.074  15.789
  402   1HB   PHE  61          1HB       PHE  61 -13.498   7.291  16.994
  403   2HB   PHE  61          2HB       PHE  61 -13.620   8.576  18.195
  404    HD1  PHE  61           HD1      PHE  61 -15.510   8.554  19.853
  405    HD2  PHE  61           HD2      PHE  61 -14.738   5.258  17.211
  406    HE1  PHE  61           HE1      PHE  61 -16.911   7.086  21.278
  407    HE2  PHE  61           HE2      PHE  61 -16.138   3.788  18.636
  408    HZ   PHE  61           HZ       PHE  61 -17.225   4.702  20.669
  409    H    SER  62           H        SER  62 -15.237   7.356  14.454
  410    HA   SER  62           HA       SER  62 -17.984   6.332  15.095
  411   1HB   SER  62          1HB       SER  62 -17.801   8.181  13.360
  412   2HB   SER  62          2HB       SER  62 -16.877   7.054  12.366
  413    HG   SER  62           HG       SER  62 -18.785   5.607  12.792
  414    H    CYS  63           H        CYS  63 -15.008   5.298  15.150
  415    HA   CYS  63           HA       CYS  63 -14.599   3.276  13.232
  416   1HB   CYS  63          1HB       CYS  63 -13.621   4.107  15.807
  417   2HB   CYS  63          2HB       CYS  63 -13.759   2.349  15.792
  418    H    ARG  64           H        ARG  64 -16.092   1.722  12.684
  419    HA   ARG  64           HA       ARG  64 -17.435   0.236  14.914
  420   1HB   ARG  64          1HB       ARG  64 -18.544   1.942  12.858
  421   2HB   ARG  64          2HB       ARG  64 -19.154   0.298  12.668
  422   1HG   ARG  64          1HG       ARG  64 -19.619   0.346  15.190
  423   2HG   ARG  64          2HG       ARG  64 -19.339   2.084  15.100
  424   1HD   ARG  64          1HD       ARG  64 -21.082   2.100  13.198
  425   2HD   ARG  64          2HD       ARG  64 -21.515   0.470  13.751
  426    HE   ARG  64           HE       ARG  64 -22.023   1.451  15.970
  427   1HH1  ARG  64          1HH1      ARG  64 -20.309   3.962  15.056
  428   2HH1  ARG  64          2HH1      ARG  64 -21.562   5.159  15.066
  429   1HH2  ARG  64          1HH2      ARG  64 -24.138   2.846  15.262
  430   2HH2  ARG  64          2HH2      ARG  64 -23.727   4.527  15.185
  431    H    ALA  65           H        ALA  65 -16.334   0.244  11.536
  432    HA   ALA  65           HA       ALA  65 -15.550  -2.565  11.701
  433   1HB   ALA  65          1HB       ALA  65 -17.914  -1.720   9.991
  434   2HB   ALA  65          2HB       ALA  65 -17.195  -3.330  10.012
  435   3HB   ALA  65          3HB       ALA  65 -18.007  -2.708  11.448
  436    H    GLY  66           H        GLY  66 -16.239   0.259   9.662
  437   1HA   GLY  66          2HA       GLY  66 -15.171   1.047   7.721
  438   2HA   GLY  66          1HA       GLY  66 -14.606  -0.599   7.440
  439    H    ALA  67           H        ALA  67 -12.498   0.258   6.859
  440    HA   ALA  67           HA       ALA  67 -10.576   0.263   8.964
  441   1HB   ALA  67          1HB       ALA  67 -10.699   0.342   6.134
  442   2HB   ALA  67          3HB       ALA  67  -9.269   0.072   7.131
  443   3HB   ALA  67          2HB       ALA  67  -9.695   1.706   6.623
  444    H    CYS  68           H        CYS  68  -9.176   2.117   9.604
  445    HA   CYS  68           HA       CYS  68 -10.693   4.707   9.596
  446   1HB   CYS  68          1HB       CYS  68 -10.282   3.180  11.722
  447   2HB   CYS  68          2HB       CYS  68  -8.691   3.937  11.693
  448    H    ALA  69           H        ALA  69  -9.639   6.195   8.344
  449    HA   ALA  69           HA       ALA  69  -6.693   5.961   7.958
  450   1HB   ALA  69          1HB       ALA  69  -9.028   6.839   6.449
  451   2HB   ALA  69          3HB       ALA  69  -7.421   6.416   5.859
  452   3HB   ALA  69          2HB       ALA  69  -7.751   8.055   6.418
  453    H    ASN  70           H        ASN  70  -9.131   7.919   9.495
  454    HA   ASN  70           HA       ASN  70  -7.030   9.574  10.763
  455   1HB   ASN  70          1HB       ASN  70  -8.424  11.633  10.054
  456   2HB   ASN  70          2HB       ASN  70  -7.440  10.868   8.806
  457   2HD2  ASN  70          2HD2      ASN  70  -8.531   9.870   7.033
  458   1HD2  ASN  70          1HD2      ASN  70 -10.220   9.877   6.859
  459    H    CYS  71           H        CYS  71  -7.639   9.065  12.866
  460    HA   CYS  71           HA       CYS  71 -10.344   8.562  13.699
  461   1HB   CYS  71          1HB       CYS  71  -8.255   7.750  14.787
  462   2HB   CYS  71          2HB       CYS  71  -7.903   9.399  15.298
  463    H    ALA  72           H        ALA  72  -8.848  10.906  15.757
  464    HA   ALA  72           HA       ALA  72 -10.111  13.262  14.612
  465   1HB   ALA  72          1HB       ALA  72 -11.582  11.409  16.345
  466   2HB   ALA  72          2HB       ALA  72 -11.614  13.069  16.939
  467   3HB   ALA  72          3HB       ALA  72 -12.197  12.702  15.315
  468    H    SER  73           H        SER  73  -7.598  12.259  16.086
  469    HA   SER  73           HA       SER  73  -7.573  14.334  18.259
  470   1HB   SER  73          1HB       SER  73  -6.031  12.885  19.405
  471   2HB   SER  73          2HB       SER  73  -7.344  11.856  18.828
  472    HG   SER  73           HG       SER  73  -5.547  10.828  18.183
  473    H    ILE  74           H        ILE  74  -6.297  16.075  17.755
  474    HA   ILE  74           HA       ILE  74  -4.406  15.927  15.497
  475    HB   ILE  74           HB       ILE  74  -5.085  18.220  17.360
  476   1HG1  ILE  74          2HG1      ILE  74  -7.198  17.479  16.566
  477   2HG1  ILE  74          1HG1      ILE  74  -6.743  18.791  15.479
  478   1HG2  ILE  74          1HG2      ILE  74  -3.122  18.356  15.714
  479   2HG2  ILE  74          2HG2      ILE  74  -4.334  18.303  14.435
  480   3HG2  ILE  74          3HG2      ILE  74  -4.337  19.630  15.596
  481   1HD1  ILE  74          1HD1      ILE  74  -5.683  16.898  14.028
  482   2HD1  ILE  74          2HD1      ILE  74  -6.715  15.822  14.968
  483   3HD1  ILE  74          3HD1      ILE  74  -7.433  17.105  13.994
  484    H    VAL  75           H        VAL  75  -2.909  14.412  16.692
  485    HA   VAL  75           HA       VAL  75  -1.590  14.907  19.117
  486    HB   VAL  75           HB       VAL  75  -1.412  12.931  17.552
  487   1HG1  VAL  75          1HG1      VAL  75  -0.782  14.737  15.653
  488   2HG1  VAL  75          2HG1      VAL  75   0.845  14.276  16.153
  489   3HG1  VAL  75          3HG1      VAL  75  -0.276  13.050  15.559
  490   1HG2  VAL  75          1HG2      VAL  75   0.337  13.802  19.433
  491   2HG2  VAL  75          2HG2      VAL  75   0.549  12.294  18.543
  492   3HG2  VAL  75          3HG2      VAL  75   1.401  13.750  18.026
  493    H    LYS  76           H        LYS  76  -0.506  16.744  19.762
  494    HA   LYS  76           HA       LYS  76   0.573  18.607  17.733
  495   1HB   LYS  76          1HB       LYS  76  -0.745  18.943  20.061
  496   2HB   LYS  76          2HB       LYS  76   0.910  19.013  20.667
  497   1HG   LYS  76          1HG       LYS  76   1.008  20.582  18.380
  498   2HG   LYS  76          2HG       LYS  76  -0.571  20.968  19.065
  499   1HD   LYS  76          1HD       LYS  76   1.272  22.428  19.941
  500   2HD   LYS  76          2HD       LYS  76   0.438  21.527  21.206
  501   1HE   LYS  76          1HE       LYS  76   2.257  20.122  21.584
  502   2HE   LYS  76          2HE       LYS  76   2.861  20.292  19.925
  503   1HZ   LYS  76          1HZ       LYS  76   3.175  22.726  20.508
  504   2HZ   LYS  76          2HZ       LYS  76   2.964  22.274  22.131
  505   3HZ   LYS  76          3HZ       LYS  76   4.260  21.640  21.234
  506    H    GLU  77           H        GLU  77   1.723  15.937  19.464
  507    HA   GLU  77           HA       GLU  77   4.393  16.103  18.550
  508   1HB   GLU  77          1HB       GLU  77   3.721  17.880  20.731
  509   2HB   GLU  77          2HB       GLU  77   4.940  16.721  21.260
  510   1HG   GLU  77          1HG       GLU  77   5.483  17.735  18.575
  511   2HG   GLU  77          2HG       GLU  77   5.412  19.029  19.771
  512    H    GLY  78           H        GLY  78   5.733  14.388  19.476
  513   1HA   GLY  78          2HA       GLY  78   4.393  12.635  21.470
  514   2HA   GLY  78          1HA       GLY  78   6.094  12.543  21.009
  515    H    GLU  79           H        GLU  79   3.918  10.450  20.981
  516    HA   GLU  79           HA       GLU  79   3.294   9.887  18.204
  517   1HB   GLU  79          1HB       GLU  79   5.711   9.597  18.119
  518   2HB   GLU  79          2HB       GLU  79   5.666   8.536  19.528
  519   1HG   GLU  79          1HG       GLU  79   4.221   6.958  18.236
  520   2HG   GLU  79          2HG       GLU  79   4.407   7.993  16.821
  521    H    ILE  80           H        ILE  80   1.622   8.437  18.216
  522    HA   ILE  80           HA       ILE  80   1.144   6.866  20.719
  523    HB   ILE  80           HB       ILE  80  -0.649   7.856  18.479
  524   1HG1  ILE  80          1HG1      ILE  80  -0.898   8.543  21.392
  525   2HG1  ILE  80          2HG1      ILE  80   0.304   9.377  20.405
  526   1HG2  ILE  80          1HG2      ILE  80  -1.157   6.020  20.813
  527   2HG2  ILE  80          2HG2      ILE  80  -2.452   7.031  20.170
  528   3HG2  ILE  80          3HG2      ILE  80  -1.667   5.838  19.134
  529   1HD1  ILE  80          1HD1      ILE  80  -2.101   9.308  18.894
  530   2HD1  ILE  80          2HD1      ILE  80  -2.536   9.819  20.524
  531   3HD1  ILE  80          3HD1      ILE  80  -1.321  10.718  19.613
  532    H    ASP  81           H        ASP  81   0.628   4.616  20.508
  533    HA   ASP  81           HA       ASP  81   1.503   3.406  17.916
  534   1HB   ASP  81          1HB       ASP  81   2.240   3.011  20.567
  535   2HB   ASP  81          2HB       ASP  81   1.158   1.656  20.240
  536    H    MET  82           H        MET  82   0.347   1.234  17.472
  537    HA   MET  82           HA       MET  82  -2.381   0.922  18.486
  538   1HB   MET  82          1HB       MET  82  -3.498   1.579  16.442
  539   2HB   MET  82          2HB       MET  82  -2.425   2.901  16.903
  540   1HG   MET  82          1HG       MET  82  -0.676   1.755  15.384
  541   2HG   MET  82          2HG       MET  82  -2.036   0.842  14.730
  542   1HE   MET  82          1HE       MET  82   0.095   3.508  14.822
  543   2HE   MET  82          2HE       MET  82  -0.093   3.545  13.064
  544   3HE   MET  82          3HE       MET  82  -0.573   4.935  14.034
  545    H    ASP  83           H        ASP  83  -3.498  -0.593  16.520
  546    HA   ASP  83           HA       ASP  83  -1.751  -2.972  16.478
  547   1HB   ASP  83          1HB       ASP  83  -4.618  -2.400  15.667
  548   2HB   ASP  83          2HB       ASP  83  -3.883  -4.002  15.600
  549    H    MET  84           H        MET  84  -0.559  -3.533  14.698
  550    HA   MET  84           HA       MET  84  -0.433  -1.945  12.322
  551   1HB   MET  84          1HB       MET  84   0.937  -4.056  13.560
  552   2HB   MET  84          2HB       MET  84   0.412  -4.719  12.012
  553   1HG   MET  84          2HG       MET  84   2.510  -3.704  11.553
  554   2HG   MET  84          1HG       MET  84   1.317  -2.542  10.974
  555   1HE   MET  84          1HE       MET  84   3.570  -1.131  10.987
  556   2HE   MET  84          2HE       MET  84   4.354  -0.506  12.437
  557   3HE   MET  84          3HE       MET  84   4.538  -2.207  11.991
  558    H    GLN  85           H        GLN  85  -2.712  -1.825  11.625
  559    HA   GLN  85           HA       GLN  85  -3.401  -3.903   9.696
  560   1HB   GLN  85          1HB       GLN  85  -4.019  -4.839  11.965
  561   2HB   GLN  85          2HB       GLN  85  -5.178  -3.519  12.125
  562   1HG   GLN  85          1HG       GLN  85  -6.438  -4.281  10.231
  563   2HG   GLN  85          2HG       GLN  85  -5.175  -5.424   9.772
  564   2HE2  GLN  85          2HE2      GLN  85  -5.297  -7.513  10.675
  565   1HE2  GLN  85          1HE2      GLN  85  -6.378  -7.959  11.905
  566    H    GLN  86           H        GLN  86  -3.029  -0.986   9.715
  567    HA   GLN  86           HA       GLN  86  -5.615  -0.233   8.475
  568   1HB   GLN  86          1HB       GLN  86  -5.112   0.314  11.130
  569   2HB   GLN  86          2HB       GLN  86  -4.571   1.795  10.340
  570   1HG   GLN  86          1HG       GLN  86  -6.983   1.891  10.938
  571   2HG   GLN  86          2HG       GLN  86  -6.733   2.001   9.196
  572   2HE2  GLN  86          2HE2      GLN  86  -7.917  -0.098  11.790
  573   1HE2  GLN  86          1HE2      GLN  86  -8.640  -1.248  10.772
  574    H    ILE  87           H        ILE  87  -5.369   2.034   7.463
  575    HA   ILE  87           HA       ILE  87  -2.633   2.252   6.290
  576    HB   ILE  87           HB       ILE  87  -5.316   3.408   5.461
  577   1HG1  ILE  87          2HG1      ILE  87  -4.411   1.465   3.630
  578   2HG1  ILE  87          1HG1      ILE  87  -4.178   0.756   5.228
  579   1HG2  ILE  87          1HG2      ILE  87  -3.044   4.475   4.708
  580   2HG2  ILE  87          2HG2      ILE  87  -2.913   3.041   3.689
  581   3HG2  ILE  87          3HG2      ILE  87  -4.277   4.141   3.493
  582   1HD1  ILE  87          1HD1      ILE  87  -6.601   1.700   5.671
  583   2HD1  ILE  87          2HD1      ILE  87  -6.717   1.667   3.911
  584   3HD1  ILE  87          3HD1      ILE  87  -6.396   0.180   4.802
  585    H    LEU  88           H        LEU  88  -1.381   4.039   6.739
  586    HA   LEU  88           HA       LEU  88  -2.703   6.428   7.978
  587   1HB   LEU  88          1HB       LEU  88  -0.663   4.558   9.012
  588   2HB   LEU  88          2HB       LEU  88  -0.260   6.261   9.220
  589    HG   LEU  88           HG       LEU  88  -3.043   5.819   9.865
  590   1HD1  LEU  88          1HD1      LEU  88  -1.163   3.749  10.722
  591   2HD1  LEU  88          2HD1      LEU  88  -1.947   4.551  12.085
  592   3HD1  LEU  88          3HD1      LEU  88  -2.923   3.779  10.834
  593   1HD2  LEU  88          1HD2      LEU  88  -0.750   7.275  10.768
  594   2HD2  LEU  88          2HD2      LEU  88  -2.440   7.524  11.206
  595   3HD2  LEU  88          3HD2      LEU  88  -1.438   6.420  12.149
  596    H    SER  89           H        SER  89  -1.879   8.389   7.219
  597    HA   SER  89           HA       SER  89   0.423   8.221   5.299
  598   1HB   SER  89          1HB       SER  89  -0.815  10.396   4.472
  599   2HB   SER  89          2HB       SER  89  -1.472   8.813   4.055
  600    HG   SER  89           HG       SER  89  -3.160   9.262   5.189
  601    H    ASP  90           H        ASP  90   2.215   9.378   5.917
  602    HA   ASP  90           HA       ASP  90   2.500  10.739   8.363
  603   1HB   ASP  90          1HB       ASP  90   4.611  11.398   7.474
  604   2HB   ASP  90          2HB       ASP  90   4.225   9.897   6.633
  605    H    GLU  91           H        GLU  91   1.722  12.082   5.152
  606    HA   GLU  91           HA       GLU  91   1.696  14.830   5.809
  607   1HB   GLU  91          1HB       GLU  91   1.157  13.277   3.630
  608   2HB   GLU  91          2HB       GLU  91  -0.470  13.808   4.055
  609   1HG   GLU  91          1HG       GLU  91   0.362  16.166   4.098
  610   2HG   GLU  91          2HG       GLU  91   1.934  15.589   3.546
  611    H    GLU  92           H        GLU  92  -0.563  12.273   6.598
  612    HA   GLU  92           HA       GLU  92  -2.781  13.981   7.370
  613   1HB   GLU  92          1HB       GLU  92  -2.138  11.216   7.093
  614   2HB   GLU  92          2HB       GLU  92  -2.720  11.453   8.741
  615   1HG   GLU  92          1HG       GLU  92  -4.779  12.395   7.977
  616   2HG   GLU  92          2HG       GLU  92  -4.170  12.567   6.331
  617    H    VAL  93           H        VAL  93  -0.141  12.356   9.141
  618    HA   VAL  93           HA       VAL  93  -0.991  13.436  11.722
  619    HB   VAL  93           HB       VAL  93   0.273  11.234  11.063
  620   1HG1  VAL  93          1HG1      VAL  93   2.535  13.247  11.223
  621   2HG1  VAL  93          2HG1      VAL  93   2.759  11.503  11.343
  622   3HG1  VAL  93          3HG1      VAL  93   2.128  12.209   9.857
  623   1HG2  VAL  93          1HG2      VAL  93   1.103  12.972  13.406
  624   2HG2  VAL  93          2HG2      VAL  93  -0.248  11.838  13.366
  625   3HG2  VAL  93          3HG2      VAL  93   1.409  11.239  13.289
  626    H    GLU  94           H        GLU  94   0.635  14.743   9.066
  627    HA   GLU  94           HA       GLU  94   2.275  16.598  10.741
  628   1HB   GLU  94          1HB       GLU  94   2.231  15.762   7.837
  629   2HB   GLU  94          2HB       GLU  94   3.165  17.156   8.379
  630   1HG   GLU  94          1HG       GLU  94   4.561  15.833   9.752
  631   2HG   GLU  94          2HG       GLU  94   3.435  14.477   9.739
  632    H    GLU  95           H        GLU  95  -0.047  16.648   8.009
  633    HA   GLU  95           HA       GLU  95  -0.413  19.553   8.238
  634   1HB   GLU  95          1HB       GLU  95  -1.217  17.303   6.485
  635   2HB   GLU  95          2HB       GLU  95  -2.371  18.632   6.573
  636   1HG   GLU  95          1HG       GLU  95   0.031  19.963   6.342
  637   2HG   GLU  95          2HG       GLU  95   0.295  18.542   5.332
  638    H    LYS  96           H        LYS  96  -2.220  16.612   9.084
  639    HA   LYS  96           HA       LYS  96  -4.304  18.319  10.391
  640   1HB   LYS  96          1HB       LYS  96  -4.228  15.483   9.332
  641   2HB   LYS  96          2HB       LYS  96  -5.566  16.091  10.307
  642   1HG   LYS  96          1HG       LYS  96  -6.446  16.818   8.349
  643   2HG   LYS  96          2HG       LYS  96  -5.227  18.090   8.423
  644   1HD   LYS  96          2HD       LYS  96  -4.823  17.163   6.313
  645   2HD   LYS  96          1HD       LYS  96  -3.671  16.284   7.320
  646   1HE   LYS  96          2HE       LYS  96  -4.647  14.368   6.582
  647   2HE   LYS  96          1HE       LYS  96  -6.089  14.833   7.505
  648   1HZ   LYS  96          1HZ       LYS  96  -6.323  16.447   5.416
  649   2HZ   LYS  96          2HZ       LYS  96  -5.512  15.160   4.660
  650   3HZ   LYS  96          3HZ       LYS  96  -6.998  14.889   5.437
  651    H    ASP  97           H        ASP  97  -1.754  16.026  10.961
  652    HA   ASP  97           HA       ASP  97  -0.852  15.192  12.981
  653   1HB   ASP  97          2HB       ASP  97  -2.709  17.132  14.360
  654   2HB   ASP  97          1HB       ASP  97  -1.082  16.647  14.836
  655    H    VAL  98           H        VAL  98  -3.573  14.249  11.854
  656    HA   VAL  98           HA       VAL  98  -5.203  13.513  14.127
  657    HB   VAL  98           HB       VAL  98  -4.954  12.424  11.305
  658   1HG1  VAL  98          1HG1      VAL  98  -6.710  11.732  13.601
  659   2HG1  VAL  98          2HG1      VAL  98  -7.503  11.903  12.035
  660   3HG1  VAL  98          3HG1      VAL  98  -6.196  10.736  12.239
  661   1HG2  VAL  98          1HG2      VAL  98  -5.635  14.906  11.851
  662   2HG2  VAL  98          2HG2      VAL  98  -6.581  13.980  10.686
  663   3HG2  VAL  98          3HG2      VAL  98  -7.164  14.176  12.339
  664    H    ARG  99           H        ARG  99  -5.466  11.289  14.942
  665    HA   ARG  99           HA       ARG  99  -3.412   9.288  14.317
  666   1HB   ARG  99          1HB       ARG  99  -3.235  11.187  16.590
  667   2HB   ARG  99          2HB       ARG  99  -2.887   9.503  16.977
  668   1HG   ARG  99          1HG       ARG  99  -1.375   9.558  14.864
  669   2HG   ARG  99          2HG       ARG  99  -1.484  11.312  15.016
  670   1HD   ARG  99          1HD       ARG  99  -0.443  11.292  17.167
  671   2HD   ARG  99          2HD       ARG  99  -0.660   9.539  17.334
  672    HE   ARG  99           HE       ARG  99   1.377  10.882  15.674
  673   1HH1  ARG  99          1HH1      ARG  99  -0.643   8.122  15.870
  674   2HH1  ARG  99          2HH1      ARG  99   0.590   7.007  15.386
  675   1HH2  ARG  99          1HH2      ARG  99   3.088   9.410  15.274
  676   2HH2  ARG  99          2HH2      ARG  99   2.703   7.737  15.049
  677    H    LEU 100           H        LEU 100  -3.938   7.237  15.236
  678    HA   LEU 100           HA       LEU 100  -6.718   6.783  15.834
  679   1HB   LEU 100          1HB       LEU 100  -5.176   5.185  14.734
  680   2HB   LEU 100          2HB       LEU 100  -4.251   5.056  16.230
  681    HG   LEU 100           HG       LEU 100  -7.141   4.611  16.572
  682   1HD1  LEU 100          1HD1      LEU 100  -5.613   3.170  14.500
  683   2HD1  LEU 100          2HD1      LEU 100  -6.433   2.124  15.659
  684   3HD1  LEU 100          3HD1      LEU 100  -7.357   3.300  14.724
  685   1HD2  LEU 100          1HD2      LEU 100  -4.534   3.628  17.567
  686   2HD2  LEU 100          2HD2      LEU 100  -6.040   3.911  18.443
  687   3HD2  LEU 100          3HD2      LEU 100  -5.820   2.420  17.525
  688    H    THR 101           H        THR 101  -7.716   7.052  17.788
  689    HA   THR 101           HA       THR 101  -6.034   6.899  20.270
  690    HB   THR 101           HB       THR 101  -6.790   9.196  19.491
  691    HG1  THR 101           HG1      THR 101  -6.537   9.427  21.553
  692   1HG2  THR 101          1HG2      THR 101  -9.125   7.988  18.888
  693   2HG2  THR 101          2HG2      THR 101  -9.519   8.592  20.497
  694   3HG2  THR 101          3HG2      THR 101  -9.006   9.713  19.234
  695    H    CYS 102           H        CYS 102  -8.742   5.698  18.566
  696    HA   CYS 102           HA       CYS 102 -10.418   5.003  20.841
  697   1HB   CYS 102          1HB       CYS 102 -10.254   3.957  17.995
  698   2HB   CYS 102          2HB       CYS 102 -11.595   3.671  19.104
  699    H    ILE 103           H        ILE 103  -8.440   2.972  18.632
  700    HA   ILE 103           HA       ILE 103  -8.137   1.020  20.893
  701    HB   ILE 103           HB       ILE 103  -8.063   0.501  17.907
  702   1HG1  ILE 103          1HG1      ILE 103 -10.414  -0.492  19.274
  703   2HG1  ILE 103          2HG1      ILE 103 -10.289   1.258  19.462
  704   1HG2  ILE 103          1HG2      ILE 103  -8.306  -1.264  20.357
  705   2HG2  ILE 103          2HG2      ILE 103  -8.589  -1.838  18.713
  706   3HG2  ILE 103          3HG2      ILE 103  -6.993  -1.249  19.179
  707   1HD1  ILE 103          1HD1      ILE 103  -9.702   0.217  16.748
  708   2HD1  ILE 103          2HD1      ILE 103 -11.379   0.064  17.276
  709   3HD1  ILE 103          3HD1      ILE 103 -10.609   1.651  17.232
  710    H    GLY 104           H        GLY 104  -6.251   2.886  21.060
  711   1HA   GLY 104          2HA       GLY 104  -4.038   3.230  19.602
  712   2HA   GLY 104          1HA       GLY 104  -3.830   1.530  20.022
  713    H    SER 105           H        SER 105  -1.864   2.291  21.173
  714    HA   SER 105           HA       SER 105  -2.538   3.456  23.857
  715   1HB   SER 105          1HB       SER 105  -1.284   0.981  22.992
  716   2HB   SER 105          2HB       SER 105  -0.203   1.897  24.041
  717    HG   SER 105           HG       SER 105  -2.367   0.487  24.697
  718    HA   PRO 106           HA       PRO 106   0.563   6.472  23.063
  719   1HB   PRO 106          1HB       PRO 106   1.491   6.924  25.600
  720   2HB   PRO 106          2HB       PRO 106  -0.087   7.500  25.030
  721   1HG   PRO 106          2HG       PRO 106   0.580   5.126  26.706
  722   2HG   PRO 106          1HG       PRO 106  -0.781   6.248  26.835
  723   1HD   PRO 106          1HD       PRO 106  -0.969   3.761  25.720
  724   2HD   PRO 106          2HD       PRO 106  -2.018   5.122  25.267
  725    H    ALA 107           H        ALA 107   2.816   6.543  22.652
  726    HA   ALA 107           HA       ALA 107   4.361   4.131  23.547
  727   1HB   ALA 107          1HB       ALA 107   4.935   5.886  21.157
  728   2HB   ALA 107          3HB       ALA 107   3.740   4.591  21.077
  729   3HB   ALA 107          2HB       ALA 107   5.427   4.214  21.428
  730    H    ALA 108           H        ALA 108   4.365   7.642  23.295
  731    HA   ALA 108           HA       ALA 108   7.147   7.766  24.363
  732   1HB   ALA 108          1HB       ALA 108   7.179   9.917  23.447
  733   2HB   ALA 108          3HB       ALA 108   5.438  10.128  23.637
  734   3HB   ALA 108          2HB       ALA 108   6.066   9.096  22.352
  735    H    ASP 109           H        ASP 109   7.584   8.878  26.338
  736    HA   ASP 109           HA       ASP 109   5.904   8.524  28.532
  737   1HB   ASP 109          1HB       ASP 109   8.024  10.574  27.863
  738   2HB   ASP 109          2HB       ASP 109   7.293  10.488  29.465
  739    H    GLU 110           H        GLU 110   6.512  11.862  27.483
  740    HA   GLU 110           HA       GLU 110   3.675  12.521  28.109
  741   1HB   GLU 110          1HB       GLU 110   6.311  13.792  28.241
  742   2HB   GLU 110          2HB       GLU 110   5.090  14.849  27.535
  743   1HG   GLU 110          1HG       GLU 110   4.976  15.229  29.888
  744   2HG   GLU 110          2HG       GLU 110   3.597  14.196  29.513
  745    H    VAL 111           H        VAL 111   2.274  12.679  26.404
  746    HA   VAL 111           HA       VAL 111   3.394  13.408  23.715
  747    HB   VAL 111           HB       VAL 111   0.991  11.695  24.431
  748   1HG1  VAL 111          1HG1      VAL 111   1.704  13.002  22.037
  749   2HG1  VAL 111          2HG1      VAL 111   2.147  11.311  21.803
  750   3HG1  VAL 111          3HG1      VAL 111   0.491  11.737  22.234
  751   1HG2  VAL 111          1HG2      VAL 111   3.701  11.054  24.662
  752   2HG2  VAL 111          2HG2      VAL 111   2.365   9.907  24.562
  753   3HG2  VAL 111          3HG2      VAL 111   3.230  10.383  23.100
  754    H    LYS 112           H        LYS 112   2.213  14.955  22.511
  755    HA   LYS 112           HA       LYS 112   0.060  16.380  24.037
  756   1HB   LYS 112          1HB       LYS 112   1.866  17.411  21.829
  757   2HB   LYS 112          2HB       LYS 112   0.860  18.368  22.916
  758   1HG   LYS 112          1HG       LYS 112   2.378  16.898  24.682
  759   2HG   LYS 112          2HG       LYS 112   3.519  17.192  23.371
  760   1HD   LYS 112          1HD       LYS 112   2.392  19.655  23.589
  761   2HD   LYS 112          2HD       LYS 112   2.272  19.107  25.261
  762   1HE   LYS 112          1HE       LYS 112   4.824  18.334  24.678
  763   2HE   LYS 112          2HE       LYS 112   4.682  19.789  23.672
  764   1HZ   LYS 112          1HZ       LYS 112   3.799  19.662  26.507
  765   2HZ   LYS 112          2HZ       LYS 112   5.341  20.207  26.045
  766   3HZ   LYS 112          3HZ       LYS 112   3.955  21.046  25.534
  767    H    ILE 113           H        ILE 113  -1.924  16.602  23.048
  768    HA   ILE 113           HA       ILE 113  -2.251  16.316  20.143
  769    HB   ILE 113           HB       ILE 113  -2.064  13.992  20.903
  770   1HG1  ILE 113          1HG1      ILE 113  -4.945  13.909  20.624
  771   2HG1  ILE 113          2HG1      ILE 113  -4.258  15.103  19.522
  772   1HG2  ILE 113          1HG2      ILE 113  -2.761  14.542  23.277
  773   2HG2  ILE 113          2HG2      ILE 113  -4.429  14.576  22.705
  774   3HG2  ILE 113          3HG2      ILE 113  -3.497  13.083  22.614
  775   1HD1  ILE 113          1HD1      ILE 113  -2.498  13.187  19.048
  776   2HD1  ILE 113          2HD1      ILE 113  -3.789  12.144  19.646
  777   3HD1  ILE 113          3HD1      ILE 113  -4.067  13.173  18.240
  778    H    VAL 114           H        VAL 114  -4.382  16.969  19.474
  779    HA   VAL 114           HA       VAL 114  -5.930  18.366  21.621
  780    HB   VAL 114           HB       VAL 114  -4.904  19.052  19.006
  781   1HG1  VAL 114          1HG1      VAL 114  -7.206  18.351  18.260
  782   2HG1  VAL 114          2HG1      VAL 114  -7.871  19.576  19.339
  783   3HG1  VAL 114          3HG1      VAL 114  -6.854  20.056  17.980
  784   1HG2  VAL 114          1HG2      VAL 114  -5.352  20.249  21.448
  785   2HG2  VAL 114          2HG2      VAL 114  -4.839  21.091  19.985
  786   3HG2  VAL 114          3HG2      VAL 114  -6.550  21.033  20.416
  787    H    TYR 115           H        TYR 115  -8.197  17.984  21.730
  788    HA   TYR 115           HA       TYR 115  -9.120  15.622  20.147
  789   1HB   TYR 115          2HB       TYR 115 -10.072  14.892  22.090
  790   2HB   TYR 115          1HB       TYR 115  -8.953  16.020  22.843
  791    HD1  TYR 115           HD1      TYR 115  -9.769  18.413  23.310
  792    HD2  TYR 115           HD2      TYR 115 -12.403  15.174  22.295
  793    HE1  TYR 115           HE1      TYR 115 -11.685  19.675  24.248
  794    HE2  TYR 115           HE2      TYR 115 -14.318  16.437  23.236
  795    HH   TYR 115           HH       TYR 115 -14.643  19.278  23.605
  796    H    ASN 116           H        ASN 116 -11.701  15.709  20.045
  797    HA   ASN 116           HA       ASN 116 -13.663  16.814  19.300
  798   1HB   ASN 116          1HB       ASN 116 -12.181  18.786  20.673
  799   2HB   ASN 116          2HB       ASN 116 -12.628  19.515  19.134
  800   2HD2  ASN 116          2HD2      ASN 116 -14.619  20.550  19.252
  801   1HD2  ASN 116          1HD2      ASN 116 -15.919  20.064  20.229
  802    H    ALA 117           H        ALA 117 -11.137  16.061  17.647
  803    HA   ALA 117           HA       ALA 117 -10.538  17.640  15.491
  804   1HB   ALA 117          1HB       ALA 117  -9.664  15.468  15.512
  805   2HB   ALA 117          2HB       ALA 117 -11.246  14.737  15.774
  806   3HB   ALA 117          3HB       ALA 117 -10.824  15.375  14.187
  807    H    LYS 118           H        LYS 118 -13.708  16.276  16.174
  808    HA   LYS 118           HA       LYS 118 -15.054  16.357  13.764
  809   1HB   LYS 118          2HB       LYS 118 -17.022  16.966  15.129
  810   2HB   LYS 118          1HB       LYS 118 -16.008  15.801  15.978
  811   1HG   LYS 118          1HG       LYS 118 -15.520  17.273  17.630
  812   2HG   LYS 118          2HG       LYS 118 -15.237  18.586  16.490
  813   1HD   LYS 118          1HD       LYS 118 -17.256  19.458  16.964
  814   2HD   LYS 118          2HD       LYS 118 -18.035  17.952  16.479
  815   1HE   LYS 118          1HE       LYS 118 -17.960  17.071  18.683
  816   2HE   LYS 118          2HE       LYS 118 -16.740  18.251  19.199
  817    H    HIS 119           H        HIS 119 -13.697  19.099  15.486
  818    HA   HIS 119           HA       HIS 119 -15.209  21.201  14.274
  819   1HB   HIS 119          1HB       HIS 119 -13.197  22.540  14.955
  820   2HB   HIS 119          2HB       HIS 119 -13.791  21.488  16.239
  821    HD1  HIS 119           HD1      HIS 119 -11.264  21.219  13.376
  822    HD2  HIS 119           HD2      HIS 119 -11.738  20.005  17.341
  823    HE1  HIS 119           HE1      HIS 119  -9.144  19.986  14.008
  824    H    LEU 120           H        LEU 120 -12.579  19.203  13.096
  825    HA   LEU 120           HA       LEU 120 -11.404  20.719  11.081
  826   1HB   LEU 120          1HB       LEU 120 -12.115  17.867  11.528
  827   2HB   LEU 120          2HB       LEU 120 -11.660  18.301   9.881
  828    HG   LEU 120           HG       LEU 120  -9.973  19.288  12.156
  829   1HD1  LEU 120          1HD1      LEU 120 -10.530  16.529  11.709
  830   2HD1  LEU 120          2HD1      LEU 120  -8.897  16.840  11.120
  831   3HD1  LEU 120          3HD1      LEU 120  -9.321  17.228  12.787
  832   1HD2  LEU 120          1HD2      LEU 120  -9.787  19.791   9.576
  833   2HD2  LEU 120          2HD2      LEU 120  -8.326  19.472  10.512
  834   3HD2  LEU 120          3HD2      LEU 120  -9.034  18.198   9.520
  835    H    ASP 121           H        ASP 121 -12.751  22.177   9.963
  836    HA   ASP 121           HA       ASP 121 -15.365  21.660   8.972
  837   1HB   ASP 121          1HB       ASP 121 -14.886  23.636   7.564
  838   2HB   ASP 121          2HB       ASP 121 -14.271  23.874   9.200
  839    H    TYR 122           H        TYR 122 -12.318  20.464   7.907
  840    HA   TYR 122           HA       TYR 122 -13.053  20.043   5.108
  841   1HB   TYR 122          1HB       TYR 122 -10.747  20.310   5.624
  842   2HB   TYR 122          2HB       TYR 122 -10.834  19.169   6.965
  843    HD1  TYR 122           HD1      TYR 122 -10.949  16.744   6.558
  844    HD2  TYR 122           HD2      TYR 122 -10.593  19.546   3.321
  845    HE1  TYR 122           HE1      TYR 122 -10.317  14.897   5.029
  846    HE2  TYR 122           HE2      TYR 122  -9.961  17.699   1.792
  847    HH   TYR 122           HH       TYR 122  -9.497  15.535   1.617
  848    H    LEU 123           H        LEU 123 -13.758  18.458   8.064
  849    HA   LEU 123           HA       LEU 123 -14.592  15.994   6.565
  850   1HB   LEU 123          1HB       LEU 123 -13.030  16.463   9.041
  851   2HB   LEU 123          2HB       LEU 123 -14.218  15.164   9.134
  852    HG   LEU 123           HG       LEU 123 -12.539  15.249   6.680
  853   1HD1  LEU 123          1HD1      LEU 123 -11.260  15.549   9.125
  854   2HD1  LEU 123          2HD1      LEU 123 -11.226  13.804   8.863
  855   3HD1  LEU 123          3HD1      LEU 123 -10.531  14.891   7.661
  856   1HD2  LEU 123          1HD2      LEU 123 -13.784  13.206   8.507
  857   2HD2  LEU 123          2HD2      LEU 123 -14.006  13.422   6.771
  858   3HD2  LEU 123          3HD2      LEU 123 -12.507  12.727   7.387
  859    H    GLN 124           H        GLN 124 -15.552  18.622   8.538
  860    HA   GLN 124           HA       GLN 124 -17.591  17.717  10.186
  861   1HB   GLN 124          1HB       GLN 124 -16.718  20.094   9.512
  862   2HB   GLN 124          2HB       GLN 124 -18.017  20.042   8.320
  863   1HG   GLN 124          1HG       GLN 124 -19.667  20.143   9.919
  864   2HG   GLN 124          2HG       GLN 124 -18.717  19.251  11.106
  865   2HE2  GLN 124          2HE2      GLN 124 -19.732  21.304  12.361
  866   1HE2  GLN 124          1HE2      GLN 124 -18.698  22.647  12.457
  867    H    ASN 125           H        ASN 125 -17.591  17.862   6.663
  868    HA   ASN 125           HA       ASN 125 -20.274  17.650   5.980
  869   1HB   ASN 125          2HB       ASN 125 -19.462  16.461   4.026
  870   2HB   ASN 125          1HB       ASN 125 -18.222  17.622   4.501
  871   2HD2  ASN 125          2HD2      ASN 125 -19.029  14.171   4.417
  872   1HD2  ASN 125          1HD2      ASN 125 -17.471  13.617   4.802
  873    H    ARG 126           H        ARG 126 -18.314  15.310   7.693
  874    HA   ARG 126           HA       ARG 126 -19.929  12.974   7.271
  875   1HB   ARG 126          1HB       ARG 126 -17.537  13.487   8.357
  876   2HB   ARG 126          2HB       ARG 126 -18.484  13.470   9.844
  877   1HG   ARG 126          1HG       ARG 126 -18.412  11.220   9.805
  878   2HG   ARG 126          2HG       ARG 126 -19.370  11.255   8.325
  879   1HD   ARG 126          1HD       ARG 126 -17.554  10.305   7.323
  880   2HD   ARG 126          2HD       ARG 126 -16.789  11.899   7.462
  881    HE   ARG 126           HE       ARG 126 -16.537  10.643   9.985
  882   1HH1  ARG 126          1HH1      ARG 126 -16.127   8.723   7.379
  883   2HH1  ARG 126          2HH1      ARG 126 -14.409   8.544   7.504
  884   1HH2  ARG 126          1HH2      ARG 126 -14.053  11.048   9.877
  885   2HH2  ARG 126          2HH2      ARG 126 -13.234   9.861   8.917
  886    H    VAL 127           H        VAL 127 -20.281  15.764   9.366
  887    HA   VAL 127           HA       VAL 127 -22.232  14.516  11.156
  888    HB   VAL 127           HB       VAL 127 -21.304  17.351  10.615
  889   1HG1  VAL 127          1HG1      VAL 127 -23.649  17.280  11.483
  890   2HG1  VAL 127          2HG1      VAL 127 -23.073  16.346  12.864
  891   3HG1  VAL 127          3HG1      VAL 127 -22.519  18.003  12.627
  892   1HG2  VAL 127          1HG2      VAL 127 -20.570  15.153  12.501
  893   2HG2  VAL 127          2HG2      VAL 127 -19.535  16.341  11.707
  894   3HG2  VAL 127          3HG2      VAL 127 -20.502  16.809  13.105
  895    H    ILE 128           H        ILE 128 -24.217  13.976  10.301
  896    HA   ILE 128           HA       ILE 128 -25.597  16.032   8.608
  897    HB   ILE 128           HB       ILE 128 -24.697  14.126   7.286
  898   1HG1  ILE 128          2HG1      ILE 128 -27.080  13.295   6.508
  899   2HG1  ILE 128          1HG1      ILE 128 -27.651  14.546   7.613
  900   1HG2  ILE 128          1HG2      ILE 128 -25.090  12.582   9.407
  901   2HG2  ILE 128          2HG2      ILE 128 -26.652  12.302   8.637
  902   3HG2  ILE 128          3HG2      ILE 128 -25.163  11.906   7.779
  903   1HD1  ILE 128          1HD1      ILE 128 -25.548  15.721   6.143
  904   2HD1  ILE 128          2HD1      ILE 128 -26.523  14.839   4.966
  905   3HD1  ILE 128          3HD1      ILE 128 -27.272  16.063   5.992

  No H/Q in entry =         905
  Start of MODEL   20
    1    H2   PRO   1           H2       PRO   1   3.982   8.035  30.586
    2    H3   PRO   1           H3       PRO   1   4.536   6.923  29.423
    3    HA   PRO   1           HA       PRO   1   2.467   6.760  28.661
    4   1HB   PRO   1          1HB       PRO   1   0.981   5.661  30.681
    5   2HB   PRO   1          2HB       PRO   1   2.196   4.748  29.767
    6   1HG   PRO   1          1HG       PRO   1   2.395   6.010  32.460
    7   2HG   PRO   1          2HG       PRO   1   3.027   4.458  31.896
    8   1HD   PRO   1          1HD       PRO   1   4.562   6.689  32.173
    9   2HD   PRO   1          2HD       PRO   1   4.907   5.410  30.991
   10    H    THR   2           H        THR   2   2.828   9.373  29.307
   11    HA   THR   2           HA       THR   2   0.278  10.145  30.691
   12    HB   THR   2           HB       THR   2   3.054  11.355  30.724
   13    HG1  THR   2           HG1      THR   2   1.984   9.626  32.226
   14   1HG2  THR   2          1HG2      THR   2   0.401  12.597  31.186
   15   2HG2  THR   2          2HG2      THR   2   1.633  12.933  32.402
   16   3HG2  THR   2          3HG2      THR   2   1.927  13.342  30.712
   17    H    VAL   3           H        VAL   3  -1.028  11.536  29.528
   18    HA   VAL   3           HA       VAL   3   0.114  12.812  27.066
   19    HB   VAL   3           HB       VAL   3  -2.476  11.276  27.448
   20   1HG1  VAL   3          1HG1      VAL   3  -1.435  12.899  25.112
   21   2HG1  VAL   3          2HG1      VAL   3  -2.717  11.697  24.955
   22   3HG1  VAL   3          3HG1      VAL   3  -2.958  13.115  25.976
   23   1HG2  VAL   3          1HG2      VAL   3   0.160  10.506  26.678
   24   2HG2  VAL   3          2HG2      VAL   3  -1.299   9.514  26.695
   25   3HG2  VAL   3          3HG2      VAL   3  -0.862  10.417  25.244
   26    H    GLU   4           H        GLU   4  -1.549  14.528  26.237
   27    HA   GLU   4           HA       GLU   4  -3.048  15.806  28.484
   28   1HB   GLU   4          1HB       GLU   4  -0.506  16.541  27.765
   29   2HB   GLU   4          2HB       GLU   4  -1.473  17.605  26.744
   30   1HG   GLU   4          1HG       GLU   4  -2.425  18.700  28.553
   31   2HG   GLU   4          2HG       GLU   4  -2.231  17.314  29.627
   32    H    TYR   5           H        TYR   5  -5.096  16.169  27.694
   33    HA   TYR   5           HA       TYR   5  -5.501  16.355  24.761
   34   1HB   TYR   5          1HB       TYR   5  -7.916  16.181  25.473
   35   2HB   TYR   5          2HB       TYR   5  -6.911  14.847  26.041
   36    HD1  TYR   5           HD1      TYR   5  -8.309  18.159  27.065
   37    HD2  TYR   5           HD2      TYR   5  -6.740  14.371  28.341
   38    HE1  TYR   5           HE1      TYR   5  -8.952  18.679  29.404
   39    HE2  TYR   5           HE2      TYR   5  -7.384  14.888  30.677
   40    HH   TYR   5           HH       TYR   5  -9.341  16.574  31.710
   41    H    LEU   6           H        LEU   6  -6.112  18.222  23.724
   42    HA   LEU   6           HA       LEU   6  -6.651  20.647  25.409
   43   1HB   LEU   6          1HB       LEU   6  -4.409  20.111  23.909
   44   2HB   LEU   6          2HB       LEU   6  -5.396  21.020  22.765
   45    HG   LEU   6           HG       LEU   6  -4.530  21.891  25.536
   46   1HD1  LEU   6          1HD1      LEU   6  -3.189  22.101  23.182
   47   2HD1  LEU   6          2HD1      LEU   6  -4.155  23.576  23.122
   48   3HD1  LEU   6          3HD1      LEU   6  -3.062  23.290  24.477
   49   1HD2  LEU   6          1HD2      LEU   6  -6.550  23.066  23.612
   50   2HD2  LEU   6          2HD2      LEU   6  -6.793  22.635  25.306
   51   3HD2  LEU   6          3HD2      LEU   6  -5.785  24.019  24.884
   52    H    ASN   7           H        ASN   7  -8.567  21.633  24.874
   53    HA   ASN   7           HA       ASN   7 -10.342  20.576  22.893
   54   1HB   ASN   7          1HB       ASN   7 -10.970  21.806  24.956
   55   2HB   ASN   7          2HB       ASN   7 -10.280  23.278  24.272
   56   2HD2  ASN   7          2HD2      ASN   7 -12.650  24.036  24.579
   57   1HD2  ASN   7          1HD2      ASN   7 -13.735  23.718  23.312
   58    H    TYR   8           H        TYR   8 -10.233  20.852  20.713
   59    HA   TYR   8           HA       TYR   8  -8.403  22.628  19.399
   60   1HB   TYR   8          1HB       TYR   8  -9.217  20.603  18.359
   61   2HB   TYR   8          2HB       TYR   8 -10.892  21.125  18.532
   62    HD1  TYR   8           HD1      TYR   8  -7.669  21.907  16.834
   63    HD2  TYR   8           HD2      TYR   8 -11.917  22.540  16.916
   64    HE1  TYR   8           HE1      TYR   8  -7.542  23.043  14.633
   65    HE2  TYR   8           HE2      TYR   8 -11.790  23.676  14.715
   66    HH   TYR   8           HH       TYR   8  -9.404  23.401  12.640
   67    H    GLU   9           H        GLU   9 -11.841  22.902  20.253
   68    HA   GLU   9           HA       GLU   9 -12.442  25.280  18.783
   69   1HB   GLU   9          1HB       GLU   9 -13.747  23.483  20.404
   70   2HB   GLU   9          2HB       GLU   9 -13.711  24.920  21.426
   71   1HG   GLU   9          1HG       GLU   9 -14.408  26.017  19.025
   72   2HG   GLU   9          2HG       GLU   9 -15.178  24.433  18.903
   73    H    THR  10           H        THR  10 -10.784  24.735  21.837
   74    HA   THR  10           HA       THR  10 -10.927  27.460  22.812
   75    HB   THR  10           HB       THR  10  -9.204  25.030  23.345
   76    HG1  THR  10           HG1      THR  10 -11.224  26.431  24.755
   77   1HG2  THR  10          1HG2      THR  10  -9.091  27.741  24.696
   78   2HG2  THR  10          2HG2      THR  10  -8.311  26.281  25.306
   79   3HG2  THR  10          3HG2      THR  10  -7.799  26.978  23.768
   80    H    LEU  11           H        LEU  11  -8.588  25.625  20.858
   81    HA   LEU  11           HA       LEU  11  -6.548  27.649  20.751
   82   1HB   LEU  11          1HB       LEU  11  -5.984  25.422  20.157
   83   2HB   LEU  11          2HB       LEU  11  -7.369  25.273  19.075
   84    HG   LEU  11           HG       LEU  11  -6.357  26.932  17.551
   85   1HD1  LEU  11          1HD1      LEU  11  -4.138  26.894  19.613
   86   2HD1  LEU  11          2HD1      LEU  11  -3.945  27.559  17.992
   87   3HD1  LEU  11          3HD1      LEU  11  -5.103  28.281  19.110
   88   1HD2  LEU  11          1HD2      LEU  11  -5.041  24.381  18.297
   89   2HD2  LEU  11          2HD2      LEU  11  -5.674  24.908  16.737
   90   3HD2  LEU  11          3HD2      LEU  11  -4.088  25.460  17.278
   91    H    ASP  12           H        ASP  12  -9.350  26.918  18.675
   92    HA   ASP  12           HA       ASP  12  -8.749  29.077  16.790
   93   1HB   ASP  12          1HB       ASP  12 -11.252  27.419  17.255
   94   2HB   ASP  12          2HB       ASP  12 -10.871  28.339  15.799
   95    H    ASP  13           H        ASP  13 -11.292  28.499  19.253
   96    HA   ASP  13           HA       ASP  13 -12.720  30.889  19.097
   97   1HB   ASP  13          1HB       ASP  13 -13.163  28.922  20.572
   98   2HB   ASP  13          2HB       ASP  13 -11.815  29.419  21.595
   99    H    GLN  14           H        GLN  14  -9.811  30.302  21.108
  100    HA   GLN  14           HA       GLN  14  -9.564  33.082  21.911
  101   1HB   GLN  14          1HB       GLN  14  -8.736  30.838  22.977
  102   2HB   GLN  14          2HB       GLN  14  -7.353  31.036  21.900
  103   1HG   GLN  14          1HG       GLN  14  -6.453  32.536  23.315
  104   2HG   GLN  14          2HG       GLN  14  -7.884  33.555  23.159
  105   2HE2  GLN  14          2HE2      GLN  14  -6.447  30.920  25.084
  106   1HE2  GLN  14          1HE2      GLN  14  -7.485  31.101  26.415
  107    H    GLY  15           H        GLY  15  -8.646  31.282  19.107
  108   1HA   GLY  15          2HA       GLY  15  -7.624  33.624  17.773
  109   2HA   GLY  15          1HA       GLY  15  -7.560  31.978  17.143
  110    H    TRP  16           H        TRP  16  -6.089  30.811  19.304
  111    HA   TRP  16           HA       TRP  16  -3.583  32.347  19.574
  112   1HB   TRP  16          1HB       TRP  16  -4.968  30.099  20.820
  113   2HB   TRP  16          2HB       TRP  16  -3.256  29.753  20.571
  114    HD1  TRP  16           HD1      TRP  16  -2.416  30.072  23.006
  115    HE1  TRP  16           HE1      TRP  16  -2.275  32.098  24.597
  116    HE3  TRP  16           HE3      TRP  16  -5.282  33.422  20.428
  117    HZ2  TRP  16           HZ2      TRP  16  -3.253  34.782  24.756
  118    HZ3  TRP  16           HZ3      TRP  16  -5.661  35.702  21.321
  119    HH2  TRP  16           HH2      TRP  16  -4.651  36.386  23.479
  120    H    ASP  17           H        ASP  17  -1.602  30.531  19.364
  121    HA   ASP  17           HA       ASP  17  -1.624  29.831  16.468
  122   1HB   ASP  17          1HB       ASP  17   0.120  31.273  17.797
  123   2HB   ASP  17          2HB       ASP  17   0.734  29.710  18.337
  124    H    MET  18           H        MET  18   0.119  27.810  16.249
  125    HA   MET  18           HA       MET  18  -1.331  25.490  17.187
  126   1HB   MET  18          1HB       MET  18   0.584  26.171  15.251
  127   2HB   MET  18          2HB       MET  18   1.405  25.019  16.305
  128   1HG   MET  18          2HG       MET  18   0.357  23.523  14.898
  129   2HG   MET  18          1HG       MET  18  -0.940  23.739  16.074
  130   1HE   MET  18          1HE       MET  18  -2.642  22.944  14.686
  131   2HE   MET  18          2HE       MET  18  -3.354  24.417  15.341
  132   3HE   MET  18          3HE       MET  18  -3.603  24.005  13.647
  133    H    ASP  19           H        ASP  19   1.915  26.793  17.993
  134    HA   ASP  19           HA       ASP  19   1.643  25.673  20.729
  135   1HB   ASP  19          1HB       ASP  19   3.678  24.882  18.637
  136   2HB   ASP  19          2HB       ASP  19   3.973  24.636  20.358
  137    H    ASP  20           H        ASP  20   2.174  28.320  19.040
  138    HA   ASP  20           HA       ASP  20   4.743  29.262  20.060
  139   1HB   ASP  20          1HB       ASP  20   2.547  30.131  18.328
  140   2HB   ASP  20          2HB       ASP  20   3.201  31.450  19.297
  141    H    ASP  21           H        ASP  21   1.314  29.867  20.876
  142    HA   ASP  21           HA       ASP  21   1.957  31.610  23.122
  143   1HB   ASP  21          1HB       ASP  21  -0.517  30.203  22.092
  144   2HB   ASP  21          2HB       ASP  21  -0.549  31.243  23.515
  145    H    ASP  22           H        ASP  22   2.409  28.363  22.738
  146    HA   ASP  22           HA       ASP  22   2.691  26.581  24.255
  147   1HB   ASP  22          1HB       ASP  22   3.377  29.092  25.495
  148   2HB   ASP  22          2HB       ASP  22   2.696  28.011  26.710
  149    H    LEU  23           H        LEU  23   0.067  26.956  23.491
  150    HA   LEU  23           HA       LEU  23  -1.928  27.426  25.395
  151   1HB   LEU  23          1HB       LEU  23  -1.670  25.343  23.206
  152   2HB   LEU  23          2HB       LEU  23  -3.185  25.681  24.042
  153    HG   LEU  23           HG       LEU  23  -2.320  28.208  23.350
  154   1HD1  LEU  23          1HD1      LEU  23  -0.800  26.429  21.788
  155   2HD1  LEU  23          2HD1      LEU  23  -2.069  27.022  20.717
  156   3HD1  LEU  23          3HD1      LEU  23  -0.995  28.163  21.527
  157   1HD2  LEU  23          1HD2      LEU  23  -4.133  26.268  21.888
  158   2HD2  LEU  23          2HD2      LEU  23  -4.602  27.459  23.102
  159   3HD2  LEU  23          3HD2      LEU  23  -4.047  27.988  21.514
  160    H    PHE  24           H        PHE  24  -0.431  24.229  24.719
  161    HA   PHE  24           HA       PHE  24  -1.642  22.762  26.797
  162   1HB   PHE  24          1HB       PHE  24   0.959  22.659  25.295
  163   2HB   PHE  24          2HB       PHE  24   0.690  21.526  26.618
  164    HD1  PHE  24           HD1      PHE  24  -1.523  20.167  26.584
  165    HD2  PHE  24           HD2      PHE  24   0.063  22.230  23.166
  166    HE1  PHE  24           HE1      PHE  24  -2.908  18.752  25.087
  167    HE2  PHE  24           HE2      PHE  24  -1.320  20.816  21.671
  168    HZ   PHE  24           HZ       PHE  24  -2.804  19.077  22.631
  169    H    GLU  25           H        GLU  25   0.784  25.235  26.950
  170    HA   GLU  25           HA       GLU  25   1.531  24.502  29.744
  171   1HB   GLU  25          1HB       GLU  25   2.936  25.389  27.533
  172   2HB   GLU  25          2HB       GLU  25   2.740  26.866  28.477
  173   1HG   GLU  25          1HG       GLU  25   4.337  26.180  29.906
  174   2HG   GLU  25          2HG       GLU  25   3.407  24.727  30.266
  175    H    LYS  26           H        LYS  26   0.636  27.474  27.932
  176    HA   LYS  26           HA       LYS  26   0.042  29.045  30.249
  177   1HB   LYS  26          1HB       LYS  26  -0.093  29.185  27.360
  178   2HB   LYS  26          2HB       LYS  26  -1.530  29.920  28.071
  179   1HG   LYS  26          1HG       LYS  26   0.203  31.058  29.690
  180   2HG   LYS  26          2HG       LYS  26   1.355  30.689  28.406
  181   1HD   LYS  26          1HD       LYS  26   0.453  32.229  26.982
  182   2HD   LYS  26          2HD       LYS  26  -1.197  31.894  27.508
  183   1HE   LYS  26          1HE       LYS  26  -0.863  34.051  28.378
  184   2HE   LYS  26          2HE       LYS  26  -0.364  33.051  29.755
  185   1HZ   LYS  26          1HZ       LYS  26   1.613  33.609  27.665
  186   2HZ   LYS  26          2HZ       LYS  26   1.231  34.873  28.733
  187   3HZ   LYS  26          3HZ       LYS  26   1.837  33.406  29.336
  188    H    ALA  27           H        ALA  27  -1.818  26.650  28.499
  189    HA   ALA  27           HA       ALA  27  -4.464  27.382  29.234
  190   1HB   ALA  27          1HB       ALA  27  -3.868  25.657  27.590
  191   2HB   ALA  27          2HB       ALA  27  -3.152  24.669  28.863
  192   3HB   ALA  27          3HB       ALA  27  -4.892  24.955  28.842
  193    H    ALA  28           H        ALA  28  -1.853  26.157  31.158
  194    HA   ALA  28           HA       ALA  28  -3.506  25.004  33.274
  195   1HB   ALA  28          1HB       ALA  28  -0.898  24.834  32.451
  196   2HB   ALA  28          3HB       ALA  28  -0.746  25.897  33.851
  197   3HB   ALA  28          2HB       ALA  28  -1.469  24.299  34.032
  198    H    ASP  29           H        ASP  29  -2.237  28.173  32.494
  199    HA   ASP  29           HA       ASP  29  -2.796  29.217  35.216
  200   1HB   ASP  29          1HB       ASP  29  -0.754  29.822  33.907
  201   2HB   ASP  29          2HB       ASP  29  -1.789  30.561  32.685
  202    H    ALA  30           H        ALA  30  -4.517  28.672  32.370
  203    HA   ALA  30           HA       ALA  30  -6.213  31.094  32.576
  204   1HB   ALA  30          1HB       ALA  30  -6.324  28.656  30.770
  205   2HB   ALA  30          3HB       ALA  30  -7.215  30.160  30.532
  206   3HB   ALA  30          2HB       ALA  30  -5.456  30.147  30.401
  207    H    GLY  31           H        GLY  31  -6.122  27.892  33.811
  208   1HA   GLY  31          2HA       GLY  31  -8.482  28.196  35.370
  209   2HA   GLY  31          1HA       GLY  31  -7.673  26.658  35.067
  210    H    LEU  32           H        LEU  32  -7.949  26.741  32.188
  211    HA   LEU  32           HA       LEU  32 -10.656  27.147  31.338
  212   1HB   LEU  32          1HB       LEU  32  -8.276  25.550  30.397
  213   2HB   LEU  32          2HB       LEU  32  -9.811  25.465  29.531
  214    HG   LEU  32           HG       LEU  32  -8.436  28.079  30.200
  215   1HD1  LEU  32          1HD1      LEU  32  -7.862  26.096  28.117
  216   2HD1  LEU  32          2HD1      LEU  32  -8.223  27.694  27.464
  217   3HD1  LEU  32          3HD1      LEU  32  -6.914  27.492  28.628
  218   1HD2  LEU  32          1HD2      LEU  32 -10.688  27.268  28.340
  219   2HD2  LEU  32          2HD2      LEU  32 -10.800  28.317  29.754
  220   3HD2  LEU  32          3HD2      LEU  32  -9.930  28.861  28.319
  221    H    ASP  33           H        ASP  33 -12.074  25.252  30.589
  222    HA   ASP  33           HA       ASP  33 -12.895  23.633  32.755
  223   1HB   ASP  33          1HB       ASP  33 -13.355  23.885  29.853
  224   2HB   ASP  33          2HB       ASP  33 -13.700  22.279  30.496
  225    H    GLY  34           H        GLY  34 -12.621  21.327  33.112
  226   1HA   GLY  34          2HA       GLY  34 -11.148  19.513  33.465
  227   2HA   GLY  34          1HA       GLY  34  -9.915  20.392  32.561
  228    H    GLU  35           H        GLU  35 -13.056  19.957  31.124
  229    HA   GLU  35           HA       GLU  35 -12.386  17.487  29.709
  230   1HB   GLU  35          1HB       GLU  35 -14.678  18.418  30.432
  231   2HB   GLU  35          2HB       GLU  35 -14.543  19.502  29.048
  232   1HG   GLU  35          1HG       GLU  35 -13.974  17.245  27.769
  233   2HG   GLU  35          2HG       GLU  35 -14.872  16.526  29.105
  234    H    ASP  36           H        ASP  36 -11.664  20.810  29.262
  235    HA   ASP  36           HA       ASP  36 -11.303  20.524  26.317
  236   1HB   ASP  36          1HB       ASP  36 -11.192  22.806  28.308
  237   2HB   ASP  36          2HB       ASP  36 -10.772  23.009  26.608
  238    H    TYR  37           H        TYR  37  -9.419  21.404  29.237
  239    HA   TYR  37           HA       TYR  37  -6.957  20.495  27.790
  240   1HB   TYR  37          1HB       TYR  37  -6.855  22.857  27.694
  241   2HB   TYR  37          2HB       TYR  37  -7.541  23.038  29.309
  242    HD1  TYR  37           HD1      TYR  37  -4.515  21.964  27.429
  243    HD2  TYR  37           HD2      TYR  37  -6.164  22.984  31.262
  244    HE1  TYR  37           HE1      TYR  37  -2.234  22.000  28.402
  245    HE2  TYR  37           HE2      TYR  37  -3.884  23.020  32.234
  246    HH   TYR  37           HH       TYR  37  -1.024  22.747  30.222
  247    H    GLY  38           H        GLY  38  -5.800  19.041  28.992
  248   1HA   GLY  38          2HA       GLY  38  -6.711  18.063  31.505
  249   2HA   GLY  38          1HA       GLY  38  -5.383  19.183  31.800
  250    H    THR  39           H        THR  39  -4.760  16.739  32.573
  251    HA   THR  39           HA       THR  39  -2.916  15.756  30.440
  252    HB   THR  39           HB       THR  39  -2.636  14.688  33.157
  253    HG1  THR  39           HG1      THR  39  -2.233  16.600  34.157
  254   1HG2  THR  39          1HG2      THR  39  -0.918  16.203  31.190
  255   2HG2  THR  39          2HG2      THR  39  -0.340  15.773  32.800
  256   3HG2  THR  39          3HG2      THR  39  -0.799  14.507  31.661
  257    H    MET  40           H        MET  40  -3.488  13.887  29.421
  258    HA   MET  40           HA       MET  40  -5.560  12.138  30.642
  259   1HB   MET  40          1HB       MET  40  -5.371  13.135  28.192
  260   2HB   MET  40          2HB       MET  40  -4.321  11.741  27.939
  261   1HG   MET  40          1HG       MET  40  -6.108  10.382  27.794
  262   2HG   MET  40          2HG       MET  40  -6.665  10.906  29.382
  263   1HE   MET  40          1HE       MET  40  -7.966  10.179  26.307
  264   2HE   MET  40          2HE       MET  40  -8.542  11.615  25.449
  265   3HE   MET  40          3HE       MET  40  -6.815  11.295  25.576
  266    H    GLU  41           H        GLU  41  -4.706  10.546  31.949
  267    HA   GLU  41           HA       GLU  41  -1.984   9.537  31.593
  268   1HB   GLU  41          1HB       GLU  41  -4.277   9.277  33.459
  269   2HB   GLU  41          2HB       GLU  41  -3.208   7.876  33.376
  270   1HG   GLU  41          1HG       GLU  41  -1.529  10.156  33.424
  271   2HG   GLU  41          2HG       GLU  41  -2.754  10.417  34.665
  272    H    VAL  42           H        VAL  42  -1.573   8.117  29.938
  273    HA   VAL  42           HA       VAL  42  -3.630   6.006  29.365
  274    HB   VAL  42           HB       VAL  42  -1.737   7.465  27.493
  275   1HG1  VAL  42          1HG1      VAL  42  -3.891   5.394  26.962
  276   2HG1  VAL  42          2HG1      VAL  42  -3.013   6.284  25.717
  277   3HG1  VAL  42          3HG1      VAL  42  -2.154   5.158  26.768
  278   1HG2  VAL  42          1HG2      VAL  42  -4.026   8.454  28.572
  279   2HG2  VAL  42          2HG2      VAL  42  -3.463   8.864  26.953
  280   3HG2  VAL  42          3HG2      VAL  42  -4.681   7.608  27.171
  281    H    ALA  43           H        ALA  43  -2.776   4.109  30.151
  282    HA   ALA  43           HA       ALA  43   0.046   3.636  30.539
  283   1HB   ALA  43          1HB       ALA  43  -1.857   2.597  31.792
  284   2HB   ALA  43          3HB       ALA  43  -0.743   1.396  31.140
  285   3HB   ALA  43          2HB       ALA  43  -2.283   1.698  30.336
  286    H    GLU  44           H        GLU  44   1.460   2.333  29.273
  287    HA   GLU  44           HA       GLU  44   1.190   2.427  26.439
  288   1HB   GLU  44          1HB       GLU  44   3.059   1.624  28.428
  289   2HB   GLU  44          2HB       GLU  44   2.893   0.273  27.306
  290   1HG   GLU  44          1HG       GLU  44   3.258   3.102  26.314
  291   2HG   GLU  44          2HG       GLU  44   4.641   2.089  26.728
  292    H    GLY  45           H        GLY  45  -0.271   1.278  25.245
  293   1HA   GLY  45          2HA       GLY  45  -0.762  -1.568  25.996
  294   2HA   GLY  45          1HA       GLY  45  -0.949  -0.914  24.368
  295    H    GLU  46           H        GLU  46  -2.167   1.459  26.216
  296    HA   GLU  46           HA       GLU  46  -4.912   0.250  26.336
  297   1HB   GLU  46          1HB       GLU  46  -3.284   1.551  28.251
  298   2HB   GLU  46          2HB       GLU  46  -4.561   2.696  27.841
  299   1HG   GLU  46          1HG       GLU  46  -5.292   1.255  29.687
  300   2HG   GLU  46          2HG       GLU  46  -6.251   0.917  28.246
  301    H    TYR  47           H        TYR  47  -5.895   0.913  24.429
  302    HA   TYR  47           HA       TYR  47  -5.390   3.028  22.741
  303   1HB   TYR  47          1HB       TYR  47  -8.079   2.007  23.713
  304   2HB   TYR  47          2HB       TYR  47  -7.830   2.917  22.224
  305    HD1  TYR  47           HD1      TYR  47  -4.899   1.175  22.435
  306    HD2  TYR  47           HD2      TYR  47  -9.081   0.426  21.797
  307    HE1  TYR  47           HE1      TYR  47  -4.342  -0.929  21.247
  308    HE2  TYR  47           HE2      TYR  47  -8.523  -1.676  20.609
  309    HH   TYR  47           HH       TYR  47  -6.710  -2.716  19.468
  310    H    ILE  48           H        ILE  48  -5.313   5.221  23.000
  311    HA   ILE  48           HA       ILE  48  -5.631   6.662  25.345
  312    HB   ILE  48           HB       ILE  48  -6.134   7.395  22.451
  313   1HG1  ILE  48          1HG1      ILE  48  -3.824   8.315  24.120
  314   2HG1  ILE  48          2HG1      ILE  48  -3.830   6.648  23.543
  315   1HG2  ILE  48          1HG2      ILE  48  -6.128   9.102  24.938
  316   2HG2  ILE  48          2HG2      ILE  48  -5.668   9.773  23.374
  317   3HG2  ILE  48          3HG2      ILE  48  -7.284   9.106  23.606
  318   1HD1  ILE  48          1HD1      ILE  48  -4.317   9.003  21.707
  319   2HD1  ILE  48          2HD1      ILE  48  -2.704   8.357  22.008
  320   3HD1  ILE  48          3HD1      ILE  48  -3.935   7.342  21.258
  321    H    LEU  49           H        LEU  49  -8.152   6.624  22.785
  322    HA   LEU  49           HA       LEU  49 -10.244   7.888  24.056
  323   1HB   LEU  49          1HB       LEU  49 -10.271   6.919  21.782
  324   2HB   LEU  49          2HB       LEU  49 -10.336   5.298  22.475
  325    HG   LEU  49           HG       LEU  49 -12.405   7.351  23.228
  326   1HD1  LEU  49          1HD1      LEU  49 -11.958   6.532  20.584
  327   2HD1  LEU  49          2HD1      LEU  49 -13.278   5.510  21.154
  328   3HD1  LEU  49          3HD1      LEU  49 -13.430   7.267  21.219
  329   1HD2  LEU  49          1HD2      LEU  49 -11.864   4.595  23.790
  330   2HD2  LEU  49          2HD2      LEU  49 -13.187   5.593  24.395
  331   3HD2  LEU  49          3HD2      LEU  49 -13.377   4.691  22.891
  332    H    GLU  50           H        GLU  50  -9.052   4.623  24.734
  333    HA   GLU  50           HA       GLU  50 -11.232   3.810  26.442
  334   1HB   GLU  50          1HB       GLU  50  -9.072   2.650  25.249
  335   2HB   GLU  50          2HB       GLU  50  -8.500   2.760  26.913
  336   1HG   GLU  50          2HG       GLU  50  -9.731   0.938  27.399
  337   2HG   GLU  50          1HG       GLU  50 -11.183   1.882  27.064
  338    H    ALA  51           H        ALA  51  -7.994   5.171  27.126
  339    HA   ALA  51           HA       ALA  51  -8.256   5.202  29.978
  340   1HB   ALA  51          1HB       ALA  51  -6.688   7.245  28.434
  341   2HB   ALA  51          2HB       ALA  51  -6.215   6.334  29.868
  342   3HB   ALA  51          3HB       ALA  51  -6.251   5.542  28.293
  343    H    ALA  52           H        ALA  52  -9.341   7.419  27.471
  344    HA   ALA  52           HA       ALA  52  -9.901   9.647  29.244
  345   1HB   ALA  52          1HB       ALA  52 -10.346   8.838  26.420
  346   2HB   ALA  52          3HB       ALA  52  -9.703  10.348  27.065
  347   3HB   ALA  52          2HB       ALA  52 -11.443  10.063  27.059
  348    H    GLU  53           H        GLU  53 -11.857   7.048  27.825
  349    HA   GLU  53           HA       GLU  53 -14.378   7.911  28.903
  350   1HB   GLU  53          1HB       GLU  53 -13.761   6.216  27.031
  351   2HB   GLU  53          2HB       GLU  53 -13.577   5.054  28.346
  352   1HG   GLU  53          1HG       GLU  53 -15.997   6.337  28.900
  353   2HG   GLU  53          2HG       GLU  53 -16.016   6.121  27.151
  354    H    ALA  54           H        ALA  54 -11.750   5.939  30.173
  355    HA   ALA  54           HA       ALA  54 -13.235   4.980  32.495
  356   1HB   ALA  54          1HB       ALA  54 -10.247   5.161  31.976
  357   2HB   ALA  54          3HB       ALA  54 -11.276   3.857  31.383
  358   3HB   ALA  54          2HB       ALA  54 -11.053   4.083  33.117
  359    H    GLN  55           H        GLN  55 -11.733   7.939  31.645
  360    HA   GLN  55           HA       GLN  55 -11.242   8.713  34.480
  361   1HB   GLN  55          1HB       GLN  55 -10.670  10.011  31.795
  362   2HB   GLN  55          2HB       GLN  55 -10.220  10.714  33.349
  363   1HG   GLN  55          1HG       GLN  55  -9.398   7.905  33.032
  364   2HG   GLN  55          2HG       GLN  55  -8.634   9.006  31.885
  365   2HE2  GLN  55          2HE2      GLN  55  -7.921  11.208  33.093
  366   1HE2  GLN  55          1HE2      GLN  55  -7.096  10.967  34.558
  367    H    GLY  56           H        GLY  56 -13.287   9.480  31.686
  368   1HA   GLY  56          2HA       GLY  56 -14.831  11.347  33.437
  369   2HA   GLY  56          1HA       GLY  56 -15.644  10.133  32.453
  370    H    TYR  57           H        TYR  57 -13.446  10.720  30.308
  371    HA   TYR  57           HA       TYR  57 -14.267  13.445  29.473
  372   1HB   TYR  57          2HB       TYR  57 -12.486  11.494  27.982
  373   2HB   TYR  57          1HB       TYR  57 -12.494  13.253  27.899
  374    HD1  TYR  57           HD1      TYR  57 -12.916  13.491  31.030
  375    HD2  TYR  57           HD2      TYR  57 -10.074  11.472  28.522
  376    HE1  TYR  57           HE1      TYR  57 -11.230  13.614  32.844
  377    HE2  TYR  57           HE2      TYR  57  -8.388  11.592  30.335
  378    HH   TYR  57           HH       TYR  57  -9.155  13.148  33.456
  379    H    ASP  58           H        ASP  58 -16.465  13.174  28.865
  380    HA   ASP  58           HA       ASP  58 -17.288  11.047  27.026
  381   1HB   ASP  58          1HB       ASP  58 -18.545  12.464  28.906
  382   2HB   ASP  58          2HB       ASP  58 -18.871  13.539  27.547
  383    H    TRP  59           H        TRP  59 -15.356  11.947  25.583
  384    HA   TRP  59           HA       TRP  59 -15.439  14.327  24.125
  385   1HB   TRP  59          1HB       TRP  59 -14.722  11.511  23.274
  386   2HB   TRP  59          2HB       TRP  59 -14.238  12.963  22.405
  387    HD1  TRP  59           HD1      TRP  59 -12.469  10.720  24.182
  388    HE1  TRP  59           HE1      TRP  59 -10.723  11.710  25.787
  389    HE3  TRP  59           HE3      TRP  59 -14.221  15.508  24.632
  390    HZ2  TRP  59           HZ2      TRP  59 -10.119  14.161  27.081
  391    HZ3  TRP  59           HZ3      TRP  59 -13.034  17.140  26.060
  392    HH2  TRP  59           HH2      TRP  59 -10.979  16.476  27.282
  393    HA   PRO  60           HA       PRO  60 -18.850  14.170  21.386
  394   1HB   PRO  60          1HB       PRO  60 -17.759  15.150  19.070
  395   2HB   PRO  60          2HB       PRO  60 -18.107  16.166  20.482
  396   1HG   PRO  60          2HG       PRO  60 -15.515  14.976  19.588
  397   2HG   PRO  60          1HG       PRO  60 -15.845  16.585  20.249
  398   1HD   PRO  60          1HD       PRO  60 -14.788  14.569  21.722
  399   2HD   PRO  60          2HD       PRO  60 -15.813  15.839  22.421
  400    H    PHE  61           H        PHE  61 -19.673  12.298  20.517
  401    HA   PHE  61           HA       PHE  61 -18.042  10.175  19.465
  402   1HB   PHE  61          1HB       PHE  61 -20.983  10.860  19.512
  403   2HB   PHE  61          2HB       PHE  61 -20.405   9.395  18.717
  404    HD1  PHE  61           HD1      PHE  61 -18.879   7.819  20.089
  405    HD2  PHE  61           HD2      PHE  61 -21.305  10.898  21.845
  406    HE1  PHE  61           HE1      PHE  61 -18.728   6.684  22.288
  407    HE2  PHE  61           HE2      PHE  61 -21.154   9.763  24.044
  408    HZ   PHE  61           HZ       PHE  61 -19.865   7.656  24.266
  409    H    SER  62           H        SER  62 -17.997   9.405  17.237
  410    HA   SER  62           HA       SER  62 -19.086  10.975  15.048
  411   1HB   SER  62          1HB       SER  62 -16.605  11.754  16.298
  412   2HB   SER  62          2HB       SER  62 -16.292  11.252  14.637
  413    HG   SER  62           HG       SER  62 -16.858  13.358  14.510
  414    H    CYS  63           H        CYS  63 -19.414   8.344  15.292
  415    HA   CYS  63           HA       CYS  63 -17.831   7.213  13.080
  416   1HB   CYS  63          1HB       CYS  63 -16.873   6.988  15.655
  417   2HB   CYS  63          2HB       CYS  63 -17.786   5.490  15.473
  418    H    ARG  64           H        ARG  64 -18.588   4.791  12.802
  419    HA   ARG  64           HA       ARG  64 -21.513   4.800  12.741
  420   1HB   ARG  64          1HB       ARG  64 -19.474   3.716  11.254
  421   2HB   ARG  64          2HB       ARG  64 -20.020   2.314  12.173
  422   1HG   ARG  64          1HG       ARG  64 -22.416   3.133  11.478
  423   2HG   ARG  64          2HG       ARG  64 -21.549   4.001  10.211
  424   1HD   ARG  64          1HD       ARG  64 -20.580   1.928   9.375
  425   2HD   ARG  64          2HD       ARG  64 -21.271   1.018  10.731
  426    HE   ARG  64           HE       ARG  64 -23.534   1.990   9.794
  427   1HH1  ARG  64          1HH1      ARG  64 -21.122   0.159   8.306
  428   2HH1  ARG  64          2HH1      ARG  64 -21.830   0.198   6.727
  429   1HH2  ARG  64          1HH2      ARG  64 -24.304   2.464   7.604
  430   2HH2  ARG  64          2HH2      ARG  64 -23.634   1.501   6.330
  431    H    ALA  65           H        ALA  65 -22.541   2.543  13.449
  432    HA   ALA  65           HA       ALA  65 -22.192   2.334  16.333
  433   1HB   ALA  65          1HB       ALA  65 -24.318   2.111  14.930
  434   2HB   ALA  65          3HB       ALA  65 -24.081   0.863  16.154
  435   3HB   ALA  65          2HB       ALA  65 -23.729   0.515  14.461
  436    H    GLY  66           H        GLY  66 -21.454   0.443  17.472
  437   1HA   GLY  66          2HA       GLY  66 -19.681  -1.324  15.835
  438   2HA   GLY  66          1HA       GLY  66 -20.681  -1.976  17.134
  439    H    ALA  67           H        ALA  67 -20.341  -0.501  19.266
  440    HA   ALA  67           HA       ALA  67 -18.834   0.129  20.977
  441   1HB   ALA  67          1HB       ALA  67 -17.035  -1.723  19.384
  442   2HB   ALA  67          3HB       ALA  67 -18.296  -2.280  20.484
  443   3HB   ALA  67          2HB       ALA  67 -16.920  -1.370  21.108
  444    H    CYS  68           H        CYS  68 -18.741   1.512  18.183
  445    HA   CYS  68           HA       CYS  68 -15.941   2.522  18.203
  446   1HB   CYS  68          1HB       CYS  68 -17.983   1.988  16.277
  447   2HB   CYS  68          2HB       CYS  68 -17.637   3.717  16.222
  448    H    ALA  69           H        ALA  69 -15.541   4.344  19.399
  449    HA   ALA  69           HA       ALA  69 -17.819   6.179  20.019
  450   1HB   ALA  69          1HB       ALA  69 -15.188   6.465  21.353
  451   2HB   ALA  69          3HB       ALA  69 -16.006   4.926  21.622
  452   3HB   ALA  69          2HB       ALA  69 -16.805   6.438  22.056
  453    H    ASN  70           H        ASN  70 -15.875   8.290  20.783
  454    HA   ASN  70           HA       ASN  70 -15.839   9.854  18.425
  455   1HB   ASN  70          1HB       ASN  70 -14.204  11.222  19.757
  456   2HB   ASN  70          2HB       ASN  70 -15.630  10.751  20.683
  457   2HD2  ASN  70          2HD2      ASN  70 -12.158  10.150  20.268
  458   1HD2  ASN  70          1HD2      ASN  70 -11.963   9.255  21.696
  459    H    CYS  71           H        CYS  71 -13.801  10.646  17.304
  460    HA   CYS  71           HA       CYS  71 -11.404   9.006  17.312
  461   1HB   CYS  71          1HB       CYS  71 -13.564   7.854  16.095
  462   2HB   CYS  71          2HB       CYS  71 -12.831   8.704  14.735
  463    H    ALA  72           H        ALA  72 -10.836  11.409  17.476
  464    HA   ALA  72           HA       ALA  72  -9.869  12.389  14.943
  465   1HB   ALA  72          1HB       ALA  72 -12.444  13.469  16.094
  466   2HB   ALA  72          3HB       ALA  72 -12.126  12.924  14.447
  467   3HB   ALA  72          2HB       ALA  72 -11.444  14.445  15.021
  468    H    SER  73           H        SER  73  -7.978  12.573  16.346
  469    HA   SER  73           HA       SER  73  -8.077  14.987  18.126
  470   1HB   SER  73          2HB       SER  73  -6.236  12.696  18.689
  471   2HB   SER  73          1HB       SER  73  -7.039  13.788  19.817
  472    HG   SER  73           HG       SER  73  -8.116  11.898  19.986
  473    H    ILE  74           H        ILE  74  -6.311  16.380  17.902
  474    HA   ILE  74           HA       ILE  74  -4.406  15.751  15.695
  475    HB   ILE  74           HB       ILE  74  -5.661  18.165  16.932
  476   1HG1  ILE  74          1HG1      ILE  74  -6.032  18.772  14.652
  477   2HG1  ILE  74          2HG1      ILE  74  -4.807  17.642  14.078
  478   1HG2  ILE  74          1HG2      ILE  74  -2.817  18.017  16.139
  479   2HG2  ILE  74          2HG2      ILE  74  -3.722  19.331  15.390
  480   3HG2  ILE  74          3HG2      ILE  74  -3.644  19.204  17.148
  481   1HD1  ILE  74          1HD1      ILE  74  -7.213  16.669  15.615
  482   2HD1  ILE  74          2HD1      ILE  74  -7.299  16.941  13.875
  483   3HD1  ILE  74          3HD1      ILE  74  -6.161  15.762  14.527
  484    H    VAL  75           H        VAL  75  -2.912  14.438  16.918
  485    HA   VAL  75           HA       VAL  75  -1.837  14.939  19.464
  486    HB   VAL  75           HB       VAL  75  -1.422  12.928  18.130
  487   1HG1  VAL  75          1HG1      VAL  75  -0.967  14.739  16.071
  488   2HG1  VAL  75          2HG1      VAL  75   0.636  14.083  16.400
  489   3HG1  VAL  75          3HG1      VAL  75  -0.693  12.999  15.990
  490   1HG2  VAL  75          1HG2      VAL  75   0.255  13.609  19.857
  491   2HG2  VAL  75          2HG2      VAL  75   0.970  12.677  18.542
  492   3HG2  VAL  75          3HG2      VAL  75   1.173  14.429  18.595
  493    H    LYS  76           H        LYS  76  -0.745  16.714  20.228
  494    HA   LYS  76           HA       LYS  76   0.398  18.667  18.330
  495   1HB   LYS  76          1HB       LYS  76  -1.029  19.070  20.469
  496   2HB   LYS  76          2HB       LYS  76   0.470  18.764  21.345
  497   1HG   LYS  76          1HG       LYS  76   0.706  21.037  21.058
  498   2HG   LYS  76          2HG       LYS  76   1.408  20.508  19.527
  499   1HD   LYS  76          1HD       LYS  76  -1.549  20.830  19.585
  500   2HD   LYS  76          2HD       LYS  76  -0.598  22.312  19.666
  501   1HE   LYS  76          1HE       LYS  76  -0.074  22.160  17.464
  502   2HE   LYS  76          2HE       LYS  76   0.475  20.485  17.662
  503   1HZ   LYS  76          1HZ       LYS  76  -2.399  21.037  17.846
  504   2HZ   LYS  76          2HZ       LYS  76  -1.695  21.058  16.300
  505   3HZ   LYS  76          3HZ       LYS  76  -1.601  19.658  17.257
  506    H    GLU  77           H        GLU  77   1.468  15.922  20.011
  507    HA   GLU  77           HA       GLU  77   4.200  16.209  19.194
  508   1HB   GLU  77          1HB       GLU  77   3.345  17.533  21.653
  509   2HB   GLU  77          2HB       GLU  77   4.658  16.391  21.943
  510   1HG   GLU  77          1HG       GLU  77   5.555  17.582  19.674
  511   2HG   GLU  77          2HG       GLU  77   4.656  18.920  20.391
  512    H    GLY  78           H        GLY  78   5.598  14.491  20.304
  513   1HA   GLY  78          2HA       GLY  78   4.146  12.410  21.786
  514   2HA   GLY  78          1HA       GLY  78   5.859  12.380  21.372
  515    H    GLU  79           H        GLU  79   3.756  10.292  20.986
  516    HA   GLU  79           HA       GLU  79   3.148  10.123  18.155
  517   1HB   GLU  79          1HB       GLU  79   4.889   8.622  17.488
  518   2HB   GLU  79          2HB       GLU  79   5.697   9.919  18.367
  519   1HG   GLU  79          1HG       GLU  79   5.199   8.288  20.436
  520   2HG   GLU  79          2HG       GLU  79   5.260   7.077  19.155
  521    H    ILE  80           H        ILE  80   1.580   8.545  17.898
  522    HA   ILE  80           HA       ILE  80   1.108   6.715  20.223
  523    HB   ILE  80           HB       ILE  80  -0.809   7.539  18.030
  524   1HG1  ILE  80          1HG1      ILE  80  -0.447   8.866  20.732
  525   2HG1  ILE  80          2HG1      ILE  80   0.186   9.525  19.223
  526   1HG2  ILE  80          1HG2      ILE  80  -1.321   5.565  19.533
  527   2HG2  ILE  80          2HG2      ILE  80  -1.314   6.687  20.894
  528   3HG2  ILE  80          3HG2      ILE  80  -2.506   6.869  19.606
  529   1HD1  ILE  80          1HD1      ILE  80  -2.672   8.748  19.163
  530   2HD1  ILE  80          2HD1      ILE  80  -2.286  10.114  20.210
  531   3HD1  ILE  80          3HD1      ILE  80  -1.879  10.176  18.495
  532    H    ASP  81           H        ASP  81   0.832   4.495  19.829
  533    HA   ASP  81           HA       ASP  81   1.615   3.552  17.098
  534   1HB   ASP  81          1HB       ASP  81   2.769   3.039  19.446
  535   2HB   ASP  81          2HB       ASP  81   1.504   1.814  19.538
  536    H    MET  82           H        MET  82   0.470   1.545  16.343
  537    HA   MET  82           HA       MET  82  -2.230   1.137  17.550
  538   1HB   MET  82          1HB       MET  82  -3.114   1.309  15.153
  539   2HB   MET  82          2HB       MET  82  -2.585   2.825  15.884
  540   1HG   MET  82          1HG       MET  82  -0.360   2.529  14.785
  541   2HG   MET  82          2HG       MET  82  -0.983   1.088  13.982
  542   1HE   MET  82          1HE       MET  82   0.006   2.280  12.012
  543   2HE   MET  82          2HE       MET  82  -0.763   3.568  11.087
  544   3HE   MET  82          3HE       MET  82   0.181   3.965  12.520
  545    H    ASP  83           H        ASP  83  -3.117  -0.940  17.063
  546    HA   ASP  83           HA       ASP  83  -1.251  -3.076  16.633
  547   1HB   ASP  83          1HB       ASP  83  -4.236  -2.731  16.760
  548   2HB   ASP  83          2HB       ASP  83  -3.565  -4.297  16.303
  549    H    MET  84           H        MET  84  -1.891  -4.797  14.821
  550    HA   MET  84           HA       MET  84  -1.089  -3.898  12.304
  551   1HB   MET  84          2HB       MET  84  -3.034  -6.128  12.984
  552   2HB   MET  84          1HB       MET  84  -2.066  -6.021  11.513
  553   1HG   MET  84          1HG       MET  84  -0.235  -5.692  13.618
  554   2HG   MET  84          2HG       MET  84  -1.301  -6.997  14.137
  555   1HE   MET  84          1HE       MET  84   1.506  -5.954  12.876
  556   2HE   MET  84          2HE       MET  84   2.251  -7.532  12.629
  557   3HE   MET  84          3HE       MET  84   1.848  -6.513  11.241
  558    H    GLN  85           H        GLN  85  -2.077  -2.115  11.361
  559    HA   GLN  85           HA       GLN  85  -4.659  -2.403  10.119
  560   1HB   GLN  85          1HB       GLN  85  -5.073  -2.085  12.673
  561   2HB   GLN  85          2HB       GLN  85  -4.624  -0.404  12.380
  562   1HG   GLN  85          1HG       GLN  85  -6.364  -0.689  10.370
  563   2HG   GLN  85          2HG       GLN  85  -7.023  -1.919  11.449
  564   2HE2  GLN  85          2HE2      GLN  85  -6.676   1.522  10.947
  565   1HE2  GLN  85          1HE2      GLN  85  -7.510   2.012  12.340
  566    H    GLN  86           H        GLN  86  -1.896  -1.459   9.571
  567    HA   GLN  86           HA       GLN  86  -1.487   1.283   9.395
  568   1HB   GLN  86          1HB       GLN  86  -0.927  -1.024   7.529
  569   2HB   GLN  86          2HB       GLN  86  -0.352   0.602   7.164
  570   1HG   GLN  86          1HG       GLN  86   0.249   0.064   9.902
  571   2HG   GLN  86          2HG       GLN  86   0.791  -1.320   8.950
  572   2HE2  GLN  86          2HE2      GLN  86   2.580  -1.010   7.513
  573   1HE2  GLN  86          1HE2      GLN  86   3.431   0.454   7.401
  574    H    ILE  87           H        ILE  87  -2.794   2.875   8.602
  575    HA   ILE  87           HA       ILE  87  -4.125   2.524   5.988
  576    HB   ILE  87           HB       ILE  87  -5.722   1.553   7.545
  577   1HG1  ILE  87          2HG1      ILE  87  -7.398   3.728   7.488
  578   2HG1  ILE  87          1HG1      ILE  87  -6.235   4.138   6.228
  579   1HG2  ILE  87          1HG2      ILE  87  -4.804   2.594   9.596
  580   2HG2  ILE  87          2HG2      ILE  87  -5.454   4.153   9.086
  581   3HG2  ILE  87          3HG2      ILE  87  -6.549   2.828   9.481
  582   1HD1  ILE  87          1HD1      ILE  87  -7.673   1.475   6.417
  583   2HD1  ILE  87          2HD1      ILE  87  -8.189   2.806   5.382
  584   3HD1  ILE  87          3HD1      ILE  87  -6.634   2.022   5.100
  585    H    LEU  88           H        LEU  88  -3.622   4.569   8.863
  586    HA   LEU  88           HA       LEU  88  -4.340   7.068   7.634
  587   1HB   LEU  88          1HB       LEU  88  -3.633   6.098  10.130
  588   2HB   LEU  88          2HB       LEU  88  -2.262   7.124   9.710
  589    HG   LEU  88           HG       LEU  88  -4.330   8.713   8.927
  590   1HD1  LEU  88          1HD1      LEU  88  -5.330   6.797  10.981
  591   2HD1  LEU  88          2HD1      LEU  88  -5.784   8.490  11.172
  592   3HD1  LEU  88          3HD1      LEU  88  -6.209   7.624   9.696
  593   1HD2  LEU  88          1HD2      LEU  88  -2.585   8.475  11.287
  594   2HD2  LEU  88          2HD2      LEU  88  -2.929   9.883  10.281
  595   3HD2  LEU  88          3HD2      LEU  88  -4.042   9.427  11.570
  596    H    SER  89           H        SER  89  -2.685   8.839   7.215
  597    HA   SER  89           HA       SER  89  -0.367   7.704   5.704
  598   1HB   SER  89          1HB       SER  89  -2.365   9.273   4.850
  599   2HB   SER  89          2HB       SER  89  -1.291  10.535   5.454
  600    HG   SER  89           HG       SER  89   0.307   9.814   4.099
  601    H    ASP  90           H        ASP  90   1.724   8.411   6.183
  602    HA   ASP  90           HA       ASP  90   2.379   9.360   8.766
  603   1HB   ASP  90          1HB       ASP  90   3.797   8.179   6.998
  604   2HB   ASP  90          2HB       ASP  90   3.998   9.760   6.242
  605    H    GLU  91           H        GLU  91   2.314  11.167   5.688
  606    HA   GLU  91           HA       GLU  91   3.013  13.719   6.679
  607   1HB   GLU  91          1HB       GLU  91   1.669  14.480   4.656
  608   2HB   GLU  91          2HB       GLU  91   2.874  13.238   4.318
  609   1HG   GLU  91          1HG       GLU  91   1.188  12.055   3.384
  610   2HG   GLU  91          2HG       GLU  91   0.619  11.773   5.029
  611    H    GLU  92           H        GLU  92   0.027  11.919   6.952
  612    HA   GLU  92           HA       GLU  92  -1.741  14.100   7.591
  613   1HB   GLU  92          1HB       GLU  92  -1.876  11.373   7.145
  614   2HB   GLU  92          2HB       GLU  92  -2.249  11.497   8.864
  615   1HG   GLU  92          1HG       GLU  92  -4.187  12.697   8.496
  616   2HG   GLU  92          2HG       GLU  92  -3.574  13.432   7.014
  617    H    VAL  93           H        VAL  93   0.198  11.889   9.623
  618    HA   VAL  93           HA       VAL  93  -0.668  13.034  12.138
  619    HB   VAL  93           HB       VAL  93   1.868  11.504  11.491
  620   1HG1  VAL  93          1HG1      VAL  93   0.432  12.309  13.927
  621   2HG1  VAL  93          2HG1      VAL  93   0.808  10.586  13.870
  622   3HG1  VAL  93          3HG1      VAL  93   2.103  11.777  13.732
  623   1HG2  VAL  93          1HG2      VAL  93  -0.974  10.711  11.368
  624   2HG2  VAL  93          2HG2      VAL  93   0.438   9.954  10.632
  625   3HG2  VAL  93          3HG2      VAL  93   0.045   9.635  12.322
  626    H    GLU  94           H        GLU  94   1.947  13.726   9.870
  627    HA   GLU  94           HA       GLU  94   3.242  15.609  11.755
  628   1HB   GLU  94          1HB       GLU  94   3.808  14.296   9.140
  629   2HB   GLU  94          2HB       GLU  94   4.583  15.854   9.427
  630   1HG   GLU  94          1HG       GLU  94   5.777  15.063  11.281
  631   2HG   GLU  94          2HG       GLU  94   4.653  13.731  11.558
  632    H    GLU  95           H        GLU  95   1.141  15.640   8.929
  633    HA   GLU  95           HA       GLU  95   1.363  18.608   8.735
  634   1HB   GLU  95          1HB       GLU  95   1.577  17.044   6.751
  635   2HB   GLU  95          2HB       GLU  95  -0.122  16.630   6.984
  636   1HG   GLU  95          1HG       GLU  95   0.439  19.528   6.933
  637   2HG   GLU  95          2HG       GLU  95   0.751  18.692   5.411
  638    H    LYS  96           H        LYS  96  -0.846  16.036   9.665
  639    HA   LYS  96           HA       LYS  96  -2.966  18.095  10.189
  640   1HB   LYS  96          1HB       LYS  96  -3.011  15.795   8.641
  641   2HB   LYS  96          2HB       LYS  96  -3.752  15.268  10.152
  642   1HG   LYS  96          1HG       LYS  96  -5.617  16.504   9.788
  643   2HG   LYS  96          2HG       LYS  96  -4.683  17.908   9.272
  644   1HD   LYS  96          1HD       LYS  96  -4.246  16.390   7.131
  645   2HD   LYS  96          2HD       LYS  96  -5.756  15.638   7.644
  646   1HE   LYS  96          1HE       LYS  96  -6.969  17.419   6.922
  647   2HE   LYS  96          2HE       LYS  96  -5.894  18.564   7.749
  648   1HZ   LYS  96          1HZ       LYS  96  -4.233  17.930   5.927
  649   2HZ   LYS  96          2HZ       LYS  96  -5.572  17.315   5.084
  650   3HZ   LYS  96          3HZ       LYS  96  -5.509  18.962   5.492
  651    H    ASP  97           H        ASP  97  -0.909  15.657  11.566
  652    HA   ASP  97           HA       ASP  97  -0.545  15.094  13.839
  653   1HB   ASP  97          2HB       ASP  97  -2.676  17.123  14.512
  654   2HB   ASP  97          1HB       ASP  97  -1.230  16.708  15.428
  655    H    VAL  98           H        VAL  98  -3.052  14.252  12.082
  656    HA   VAL  98           HA       VAL  98  -4.910  13.387  14.217
  657    HB   VAL  98           HB       VAL  98  -4.906  12.966  11.211
  658   1HG1  VAL  98          1HG1      VAL  98  -7.025  12.652  13.353
  659   2HG1  VAL  98          2HG1      VAL  98  -7.388  12.695  11.628
  660   3HG1  VAL  98          3HG1      VAL  98  -6.390  11.399  12.287
  661   1HG2  VAL  98          1HG2      VAL  98  -4.892  15.378  12.114
  662   2HG2  VAL  98          2HG2      VAL  98  -6.212  14.941  11.029
  663   3HG2  VAL  98          3HG2      VAL  98  -6.488  15.013  12.770
  664    H    ARG  99           H        ARG  99  -5.167  11.235  14.846
  665    HA   ARG  99           HA       ARG  99  -3.868   9.036  13.405
  666   1HB   ARG  99          1HB       ARG  99  -2.064  10.264  14.712
  667   2HB   ARG  99          2HB       ARG  99  -2.908   9.778  16.183
  668   1HG   ARG  99          1HG       ARG  99  -2.294   7.576  15.967
  669   2HG   ARG  99          2HG       ARG  99  -2.354   7.626  14.205
  670   1HD   ARG  99          1HD       ARG  99  -0.209   8.722  14.082
  671   2HD   ARG  99          2HD       ARG  99  -0.191   9.005  15.833
  672    HE   ARG  99           HE       ARG  99  -0.294   6.413  15.986
  673   1HH1  ARG  99          1HH1      ARG  99   1.684   8.353  14.018
  674   2HH1  ARG  99          2HH1      ARG  99   2.526   7.027  13.288
  675   1HH2  ARG  99          1HH2      ARG  99   0.536   4.603  14.767
  676   2HH2  ARG  99          2HH2      ARG  99   1.875   4.903  13.711
  677    H    LEU 100           H        LEU 100  -4.722   7.026  14.089
  678    HA   LEU 100           HA       LEU 100  -7.249   6.778  15.152
  679   1HB   LEU 100          1HB       LEU 100  -4.792   5.031  15.308
  680   2HB   LEU 100          2HB       LEU 100  -6.342   4.476  15.942
  681    HG   LEU 100           HG       LEU 100  -6.129   5.602  13.153
  682   1HD1  LEU 100          1HD1      LEU 100  -4.469   3.757  13.384
  683   2HD1  LEU 100          2HD1      LEU 100  -5.761   2.700  13.954
  684   3HD1  LEU 100          3HD1      LEU 100  -5.800   3.329  12.307
  685   1HD2  LEU 100          1HD2      LEU 100  -8.108   4.152  14.818
  686   2HD2  LEU 100          2HD2      LEU 100  -8.367   5.317  13.521
  687   3HD2  LEU 100          3HD2      LEU 100  -8.004   3.635  13.134
  688    H    THR 101           H        THR 101  -8.182   6.926  17.175
  689    HA   THR 101           HA       THR 101  -6.342   7.306  19.518
  690    HB   THR 101           HB       THR 101  -9.103   8.475  19.354
  691    HG1  THR 101           HG1      THR 101  -6.989   9.991  18.397
  692   1HG2  THR 101          1HG2      THR 101  -7.489   8.574  21.365
  693   2HG2  THR 101          2HG2      THR 101  -6.554   9.710  20.393
  694   3HG2  THR 101          3HG2      THR 101  -8.218  10.092  20.838
  695    H    CYS 102           H        CYS 102  -9.045   5.604  18.179
  696    HA   CYS 102           HA       CYS 102  -9.890   4.565  20.837
  697   1HB   CYS 102          1HB       CYS 102 -11.798   3.719  19.576
  698   2HB   CYS 102          2HB       CYS 102 -11.517   5.398  19.115
  699    H    ILE 103           H        ILE 103  -7.654   3.806  18.463
  700    HA   ILE 103           HA       ILE 103  -7.511   0.988  19.413
  701    HB   ILE 103           HB       ILE 103  -8.910   1.020  17.384
  702   1HG1  ILE 103          2HG1      ILE 103  -6.704  -0.081  15.973
  703   2HG1  ILE 103          1HG1      ILE 103  -6.421  -0.390  17.687
  704   1HG2  ILE 103          1HG2      ILE 103  -7.706   3.188  16.578
  705   2HG2  ILE 103          2HG2      ILE 103  -6.545   2.079  15.849
  706   3HG2  ILE 103          3HG2      ILE 103  -8.240   2.024  15.367
  707   1HD1  ILE 103          1HD1      ILE 103  -9.183  -0.853  16.667
  708   2HD1  ILE 103          2HD1      ILE 103  -7.944  -2.009  16.180
  709   3HD1  ILE 103          3HD1      ILE 103  -8.274  -1.739  17.891
  710    H    GLY 104           H        GLY 104  -5.802   3.210  20.038
  711   1HA   GLY 104          2HA       GLY 104  -3.587   3.816  18.593
  712   2HA   GLY 104          1HA       GLY 104  -3.258   2.137  19.015
  713    H    SER 105           H        SER 105  -1.551   2.544  20.446
  714    HA   SER 105           HA       SER 105  -2.328   3.894  23.006
  715   1HB   SER 105          1HB       SER 105  -0.921   1.447  22.220
  716   2HB   SER 105          2HB       SER 105  -0.021   2.388  23.410
  717    HG   SER 105           HG       SER 105  -2.749   2.108  23.830
  718    HA   PRO 106           HA       PRO 106   0.798   6.908  22.369
  719   1HB   PRO 106          1HB       PRO 106   1.664   7.341  24.928
  720   2HB   PRO 106          2HB       PRO 106   0.092   7.903  24.331
  721   1HG   PRO 106          1HG       PRO 106   0.753   5.535  26.010
  722   2HG   PRO 106          2HG       PRO 106  -0.637   6.624  26.097
  723   1HD   PRO 106          1HD       PRO 106  -0.703   4.127  24.961
  724   2HD   PRO 106          2HD       PRO 106  -1.807   5.447  24.522
  725    H    ALA 107           H        ALA 107   2.692   6.279  21.375
  726    HA   ALA 107           HA       ALA 107   4.398   4.177  22.530
  727   1HB   ALA 107          1HB       ALA 107   3.819   5.305  19.994
  728   2HB   ALA 107          3HB       ALA 107   5.527   5.619  20.296
  729   3HB   ALA 107          2HB       ALA 107   4.913   3.967  20.340
  730    H    ALA 108           H        ALA 108   4.008   7.260  23.432
  731    HA   ALA 108           HA       ALA 108   6.917   7.616  24.056
  732   1HB   ALA 108          1HB       ALA 108   6.112   9.024  22.136
  733   2HB   ALA 108          3HB       ALA 108   6.673   9.981  23.508
  734   3HB   ALA 108          2HB       ALA 108   4.944   9.769  23.228
  735    H    ASP 109           H        ASP 109   7.312   8.501  26.129
  736    HA   ASP 109           HA       ASP 109   5.538   8.015  28.244
  737   1HB   ASP 109          1HB       ASP 109   8.003   9.542  27.725
  738   2HB   ASP 109          2HB       ASP 109   7.078  10.133  29.105
  739    H    GLU 110           H        GLU 110   6.406  11.395  27.581
  740    HA   GLU 110           HA       GLU 110   3.662  12.228  28.307
  741   1HB   GLU 110          1HB       GLU 110   6.195  13.179  28.784
  742   2HB   GLU 110          2HB       GLU 110   5.670  14.223  27.462
  743   1HG   GLU 110          1HG       GLU 110   3.493  13.929  29.303
  744   2HG   GLU 110          2HG       GLU 110   4.936  14.379  30.212
  745    H    VAL 111           H        VAL 111   2.153  12.461  26.707
  746    HA   VAL 111           HA       VAL 111   3.104  13.264  23.974
  747    HB   VAL 111           HB       VAL 111   0.779  11.487  24.783
  748   1HG1  VAL 111          1HG1      VAL 111   1.888  12.438  22.145
  749   2HG1  VAL 111          2HG1      VAL 111   1.006  10.914  22.255
  750   3HG1  VAL 111          3HG1      VAL 111   0.213  12.426  22.698
  751   1HG2  VAL 111          1HG2      VAL 111   3.524  10.901  24.734
  752   2HG2  VAL 111          2HG2      VAL 111   2.200   9.736  24.755
  753   3HG2  VAL 111          3HG2      VAL 111   2.894  10.255  23.218
  754    H    LYS 112           H        LYS 112   1.666  14.685  22.808
  755    HA   LYS 112           HA       LYS 112  -0.428  16.015  24.498
  756   1HB   LYS 112          1HB       LYS 112   1.702  17.145  22.664
  757   2HB   LYS 112          2HB       LYS 112   0.340  18.105  23.244
  758   1HG   LYS 112          1HG       LYS 112   1.029  17.910  25.508
  759   2HG   LYS 112          2HG       LYS 112   2.134  16.584  25.142
  760   1HD   LYS 112          2HD       LYS 112   3.694  18.260  25.170
  761   2HD   LYS 112          1HD       LYS 112   3.147  18.495  23.511
  762   1HE   LYS 112          1HE       LYS 112   1.349  20.068  24.564
  763   2HE   LYS 112          2HE       LYS 112   2.426  20.081  25.974
  764   1HZ   LYS 112          1HZ       LYS 112   3.571  20.416  23.286
  765   2HZ   LYS 112          2HZ       LYS 112   2.809  21.748  24.012
  766   3HZ   LYS 112          3HZ       LYS 112   4.135  21.009  24.774
  767    H    ILE 113           H        ILE 113  -2.348  16.533  23.400
  768    HA   ILE 113           HA       ILE 113  -2.520  16.339  20.471
  769    HB   ILE 113           HB       ILE 113  -2.522  13.991  21.224
  770   1HG1  ILE 113          1HG1      ILE 113  -5.353  14.086  20.652
  771   2HG1  ILE 113          2HG1      ILE 113  -4.496  15.259  19.652
  772   1HG2  ILE 113          1HG2      ILE 113  -4.661  15.057  23.051
  773   2HG2  ILE 113          2HG2      ILE 113  -4.670  13.358  22.579
  774   3HG2  ILE 113          3HG2      ILE 113  -3.284  14.027  23.441
  775   1HD1  ILE 113          1HD1      ILE 113  -2.807  13.165  19.424
  776   2HD1  ILE 113          2HD1      ILE 113  -4.319  12.291  19.666
  777   3HD1  ILE 113          3HD1      ILE 113  -4.160  13.421  18.322
  778    H    VAL 114           H        VAL 114  -4.466  17.257  19.682
  779    HA   VAL 114           HA       VAL 114  -6.057  18.747  21.719
  780    HB   VAL 114           HB       VAL 114  -5.676  18.971  18.716
  781   1HG1  VAL 114          1HG1      VAL 114  -8.002  19.598  19.623
  782   2HG1  VAL 114          2HG1      VAL 114  -7.186  20.909  20.475
  783   3HG1  VAL 114          3HG1      VAL 114  -7.144  20.842  18.713
  784   1HG2  VAL 114          1HG2      VAL 114  -3.858  19.710  20.391
  785   2HG2  VAL 114          2HG2      VAL 114  -4.389  20.903  19.205
  786   3HG2  VAL 114          3HG2      VAL 114  -4.988  20.980  20.863
  787    H    TYR 115           H        TYR 115  -8.073  17.962  22.217
  788    HA   TYR 115           HA       TYR 115  -9.208  15.769  20.608
  789   1HB   TYR 115          2HB       TYR 115 -10.173  15.216  22.603
  790   2HB   TYR 115          1HB       TYR 115  -9.045  16.387  23.281
  791    HD1  TYR 115           HD1      TYR 115  -9.810  18.793  23.597
  792    HD2  TYR 115           HD2      TYR 115 -12.497  15.584  22.643
  793    HE1  TYR 115           HE1      TYR 115 -11.723  20.188  24.327
  794    HE2  TYR 115           HE2      TYR 115 -14.419  16.985  23.365
  795    HH   TYR 115           HH       TYR 115 -14.246  20.268  23.790
  796    H    ASN 116           H        ASN 116 -11.800  15.989  20.431
  797    HA   ASN 116           HA       ASN 116 -13.602  17.092  19.376
  798   1HB   ASN 116          1HB       ASN 116 -12.393  18.843  21.238
  799   2HB   ASN 116          2HB       ASN 116 -12.692  19.805  19.793
  800   2HD2  ASN 116          2HD2      ASN 116 -15.057  18.714  18.805
  801   1HD2  ASN 116          1HD2      ASN 116 -16.302  18.884  19.945
  802    H    ALA 117           H        ALA 117 -10.987  16.556  17.940
  803    HA   ALA 117           HA       ALA 117 -10.363  18.706  16.154
  804   1HB   ALA 117          1HB       ALA 117  -9.254  16.369  16.718
  805   2HB   ALA 117          2HB       ALA 117  -9.034  17.084  15.120
  806   3HB   ALA 117          3HB       ALA 117 -10.230  15.811  15.359
  807    H    LYS 118           H        LYS 118 -13.136  16.684  16.363
  808    HA   LYS 118           HA       LYS 118 -13.941  16.445  13.650
  809   1HB   LYS 118          1HB       LYS 118 -16.164  16.164  14.629
  810   2HB   LYS 118          2HB       LYS 118 -14.977  15.400  15.686
  811   1HG   LYS 118          1HG       LYS 118 -15.058  17.183  17.249
  812   2HG   LYS 118          2HG       LYS 118 -15.856  18.260  16.102
  813   1HD   LYS 118          1HD       LYS 118 -17.399  15.831  16.488
  814   2HD   LYS 118          2HD       LYS 118 -17.105  16.639  18.027
  815   1HE   LYS 118          1HE       LYS 118 -17.738  18.747  16.325
  816   2HE   LYS 118          2HE       LYS 118 -18.842  17.456  15.813
  817    H    HIS 119           H        HIS 119 -13.653  19.225  15.677
  818    HA   HIS 119           HA       HIS 119 -15.613  20.961  14.524
  819   1HB   HIS 119          1HB       HIS 119 -12.969  21.268  15.943
  820   2HB   HIS 119          2HB       HIS 119 -13.836  22.689  15.360
  821    HD1  HIS 119           HD1      HIS 119 -16.572  22.543  16.101
  822    HD2  HIS 119           HD2      HIS 119 -13.753  20.634  18.509
  823    HE1  HIS 119           HE1      HIS 119 -17.670  22.205  18.358
  824    H    LEU 120           H        LEU 120 -12.284  20.145  13.578
  825    HA   LEU 120           HA       LEU 120 -11.612  22.044  11.696
  826   1HB   LEU 120          1HB       LEU 120 -10.966  19.367  12.331
  827   2HB   LEU 120          2HB       LEU 120 -11.240  19.396  10.589
  828    HG   LEU 120           HG       LEU 120  -9.782  21.664  10.869
  829   1HD1  LEU 120          1HD1      LEU 120  -9.603  20.924  13.380
  830   2HD1  LEU 120          2HD1      LEU 120  -8.403  19.785  12.769
  831   3HD1  LEU 120          3HD1      LEU 120  -8.163  21.518  12.553
  832   1HD2  LEU 120          1HD2      LEU 120  -9.290  18.890  10.093
  833   2HD2  LEU 120          2HD2      LEU 120  -8.765  20.379   9.309
  834   3HD2  LEU 120          3HD2      LEU 120  -7.822  19.701  10.636
  835    H    ASP 121           H        ASP 121 -12.063  22.350   9.431
  836    HA   ASP 121           HA       ASP 121 -14.822  21.899   8.652
  837   1HB   ASP 121          1HB       ASP 121 -12.759  23.622   8.022
  838   2HB   ASP 121          2HB       ASP 121 -12.861  22.617   6.575
  839    H    TYR 122           H        TYR 122 -11.701  20.443   7.754
  840    HA   TYR 122           HA       TYR 122 -12.743  18.774   5.637
  841   1HB   TYR 122          1HB       TYR 122 -10.316  19.573   6.402
  842   2HB   TYR 122          2HB       TYR 122 -10.346  18.043   7.279
  843    HD1  TYR 122           HD1      TYR 122 -10.818  19.549   3.893
  844    HD2  TYR 122           HD2      TYR 122 -10.000  15.990   6.156
  845    HE1  TYR 122           HE1      TYR 122 -10.299  18.334   1.795
  846    HE2  TYR 122           HE2      TYR 122  -9.480  14.777   4.057
  847    HH   TYR 122           HH       TYR 122  -9.967  16.280   0.894
  848    H    LEU 123           H        LEU 123 -13.248  18.675   8.962
  849    HA   LEU 123           HA       LEU 123 -13.746  15.713   8.897
  850   1HB   LEU 123          1HB       LEU 123 -12.258  17.447  10.657
  851   2HB   LEU 123          2HB       LEU 123 -13.575  16.694  11.557
  852    HG   LEU 123           HG       LEU 123 -12.574  14.616   9.998
  853   1HD1  LEU 123          1HD1      LEU 123 -10.300  16.289  11.109
  854   2HD1  LEU 123          2HD1      LEU 123 -10.136  14.655  10.466
  855   3HD1  LEU 123          3HD1      LEU 123 -10.616  15.978   9.402
  856   1HD2  LEU 123          1HD2      LEU 123 -13.209  14.998  12.577
  857   2HD2  LEU 123          2HD2      LEU 123 -12.251  13.615  12.048
  858   3HD2  LEU 123          3HD2      LEU 123 -11.452  15.031  12.731
  859    H    GLN 124           H        GLN 124 -14.909  18.861  10.107
  860    HA   GLN 124           HA       GLN 124 -17.300  17.930  11.360
  861   1HB   GLN 124          1HB       GLN 124 -16.064  20.219  11.372
  862   2HB   GLN 124          2HB       GLN 124 -17.010  20.566   9.924
  863   1HG   GLN 124          1HG       GLN 124 -18.990  20.674  11.082
  864   2HG   GLN 124          2HG       GLN 124 -18.493  19.449  12.249
  865   2HE2  GLN 124          2HE2      GLN 124 -18.247  20.337  14.297
  866   1HE2  GLN 124          1HE2      GLN 124 -17.679  21.902  14.626
  867    H    ASN 125           H        ASN 125 -16.496  18.475   7.991
  868    HA   ASN 125           HA       ASN 125 -19.032  18.828   6.819
  869   1HB   ASN 125          1HB       ASN 125 -16.701  18.820   5.785
  870   2HB   ASN 125          2HB       ASN 125 -16.804  17.059   5.775
  871   2HD2  ASN 125          2HD2      ASN 125 -16.651  17.492   3.306
  872   1HD2  ASN 125          1HD2      ASN 125 -18.107  17.775   2.480
  873    H    ARG 126           H        ARG 126 -17.662  15.996   8.341
  874    HA   ARG 126           HA       ARG 126 -19.022  13.845   7.218
  875   1HB   ARG 126          1HB       ARG 126 -17.756  14.570   9.700
  876   2HB   ARG 126          2HB       ARG 126 -19.195  13.610  10.049
  877   1HG   ARG 126          1HG       ARG 126 -18.434  11.806   8.667
  878   2HG   ARG 126          2HG       ARG 126 -17.147  12.793   7.975
  879   1HD   ARG 126          1HD       ARG 126 -16.702  12.916  10.744
  880   2HD   ARG 126          2HD       ARG 126 -17.121  11.222  10.425
  881    HE   ARG 126           HE       ARG 126 -15.119  12.618   8.694
  882   1HH1  ARG 126          1HH1      ARG 126 -16.222   9.607   9.079
  883   2HH1  ARG 126          2HH1      ARG 126 -14.740   8.874   9.598
  884   1HH2  ARG 126          1HH2      ARG 126 -13.123  11.894  10.129
  885   2HH2  ARG 126          2HH2      ARG 126 -12.987  10.169  10.194
  886    H    VAL 127           H        VAL 127 -20.336  16.373   9.324
  887    HA   VAL 127           HA       VAL 127 -22.884  15.103   9.816
  888    HB   VAL 127           HB       VAL 127 -22.191  18.054   9.767
  889   1HG1  VAL 127          1HG1      VAL 127 -24.589  16.898  10.227
  890   2HG1  VAL 127          2HG1      VAL 127 -23.903  16.793  11.849
  891   3HG1  VAL 127          3HG1      VAL 127 -24.064  18.363  11.059
  892   1HG2  VAL 127          1HG2      VAL 127 -21.136  15.870  11.402
  893   2HG2  VAL 127          2HG2      VAL 127 -20.586  17.541  11.277
  894   3HG2  VAL 127          3HG2      VAL 127 -21.902  17.126  12.375
  895    H    ILE 128           H        ILE 128 -24.730  15.120   8.556
  896    HA   ILE 128           HA       ILE 128 -24.540  16.056   5.789
  897    HB   ILE 128           HB       ILE 128 -26.883  15.095   5.754
  898   1HG1  ILE 128          1HG1      ILE 128 -26.571  13.840   8.379
  899   2HG1  ILE 128          2HG1      ILE 128 -26.757  15.591   8.485
  900   1HG2  ILE 128          1HG2      ILE 128 -24.366  13.786   6.185
  901   2HG2  ILE 128          2HG2      ILE 128 -25.631  12.853   6.986
  902   3HG2  ILE 128          3HG2      ILE 128 -25.755  13.212   5.263
  903   1HD1  ILE 128          1HD1      ILE 128 -28.587  13.785   6.876
  904   2HD1  ILE 128          2HD1      ILE 128 -28.941  14.345   8.510
  905   3HD1  ILE 128          3HD1      ILE 128 -28.807  15.506   7.189

  No H/Q in entry =         905