*HEADER    ELECTRON TRANSPORT                      18-NOV-99   1DX8
*TITLE     RUBREDOXIN FROM GUILLARDIA THETA
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: RUBREDOXIN;
*COMPND   3 CHAIN: A;
*COMPND   4 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: GUILLARDIA THETA;
*SOURCE   3 ATCC: NCBI 55529;
*SOURCE   4 ORGANELLE: NUCLEOMORPH;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET28A;
*SOURCE   9 OTHER_DETAILS: THE RBX-GENE IS ENCODED ON THE G.THETA
*SOURCE  10 NUCLEOMORPH (CHROMOSOME II)
*KEYWDS    NMR, RUBREDOXIN, GUILLARDIA THETA, ZINC-SUBSTITUTION
*EXPDTA    NMR, 21 STRUCTURES
*AUTHOR    K.SCHWEIMER,S.HOFFMANN,J.WASTL,U.G.MAIER,P.ROESCH,H.STICHT
*REVDAT   1   04-JAN-00 1DX8    0




! NOE distance restraints

assign (resid   3 and name HN   ) (resid   2 and name HA   ) 0.0 0.0 2.7
assign (resid   3 and name HN   ) (resid   3 and name HA   ) 0.0 0.0 3.5
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assign (resid   4 and name HN   ) (resid   3 and name HB   ) 0.0 0.0 3.5
assign (resid   4 and name HN   ) (resid   4 and name HA   ) 0.0 0.0 3.5
assign (resid   5 and name HN   ) (resid   4 and name HA   ) 0.0 0.0 3.5
assign (resid   5 and name HN   ) (resid   4 and name HB2  ) 0.0 0.0 3.5
assign (resid   5 and name HN   ) (resid   4 and name HN   ) 0.0 0.0 3.5
assign (resid   5 and name HN   ) (resid   5 and name HA   ) 0.0 0.0 3.5
assign (resid   5 and name HN   ) (resid   7 and name HN   ) 0.0 0.0 3.5
assign (resid   6 and name HN   ) (resid   5 and name HA   ) 0.0 0.0 3.5
assign (resid   6 and name HA1  ) (resid   8 and name HE*  ) 0.0 0.0 3.5
assign (resid   6 and name HA2  ) (resid   8 and name HE*  ) 0.0 0.0 3.5
assign (resid   6 and name HA1  ) (resid  19 and name HG*  ) 0.0 0.0 3.5
assign (resid   6 and name HA2  ) (resid  19 and name HB1  ) 0.0 0.0 5.0
assign (resid   6 and name HA2  ) (resid  19 and name HG*  ) 0.0 0.0 3.5
assign (resid   7 and name HN   ) (resid   6 and name HA1  ) 0.0 0.0 3.5
assign (resid   7 and name HN   ) (resid   6 and name HA2  ) 0.0 0.0 3.5
assign (resid   7 and name HN   ) (resid   6 and name HN   ) 0.0 0.0 3.5
assign (resid   7 and name HN   ) (resid   7 and name HA   ) 0.0 0.0 3.5
assign (resid   7 and name HA   ) (resid   8 and name HD*  ) 0.0 0.0 5.0
assign (resid   7 and name HA   ) (resid  17 and name HB*  ) 0.0 0.0 5.0
assign (resid   7 and name HA   ) (resid  17 and name HD*  ) 0.0 0.0 5.0
assign (resid   7 and name HA   ) (resid  17 and name HN   ) 0.0 0.0 5.0
assign (resid   7 and name HA   ) (resid  18 and name HA   ) 0.0 0.0 3.5
assign (resid   8 and name HN   ) (resid   7 and name HA   ) 0.0 0.0 2.7
assign (resid   8 and name HB*  ) (resid  17 and name HB*  ) 0.0 0.0 3.5
assign (resid   8 and name HB*  ) (resid  17 and name HD*  ) 0.0 0.0 5.0
assign (resid   8 and name HN   ) (resid  17 and name HB*  ) 0.0 0.0 3.5
assign (resid   8 and name HN   ) (resid  17 and name HD*  ) 0.0 0.0 5.0
assign (resid   8 and name HN   ) (resid  17 and name HN   ) 0.0 0.0 3.5
assign (resid   8 and name HN   ) (resid  18 and name HA   ) 0.0 0.0 5.0
assign (resid   8 and name HN   ) (resid  19 and name HD1  ) 0.0 0.0 5.0
assign (resid   8 and name HN   ) (resid  19 and name HD2  ) 0.0 0.0 5.0
assign (resid   8 and name HB*  ) (resid  34 and name HD*  ) 0.0 0.0 5.0
assign (resid   8 and name HB*  ) (resid  34 and name HE*  ) 0.0 0.0 5.0
assign (resid   8 and name HD*  ) (resid  34 and name HB1  ) 0.0 0.0 3.5
assign (resid   8 and name HD*  ) (resid  34 and name HB2  ) 0.0 0.0 3.5
assign (resid   8 and name HE*  ) (resid  34 and name HD*  ) 0.0 0.0 3.5 
assign (resid   8 and name HB*  ) (resid  53 and name HB2  ) 0.0 0.0 3.5
assign (resid   8 and name HB*  ) (resid  53 and name HD*  ) 0.0 0.0 3.5
assign (resid   8 and name HD*  ) (resid  53 and name HD*  ) 0.0 0.0 5.0 
assign (resid   8 and name HA   ) (resid  56 and name HG2* ) 0.0 0.0 3.5
assign (resid   9 and name HN   ) (resid   8 and name HA   ) 0.0 0.0 2.7
assign (resid   9 and name HN   ) (resid   8 and name HD*  ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid   8 and name HD*  ) 0.0 0.0 5.0
assign (resid   9 and name HA   ) (resid  16 and name HA   ) 0.0 0.0 2.7
assign (resid   9 and name HA   ) (resid  16 and name HD1* ) 0.0 0.0 3.5
assign (resid   9 and name HA   ) (resid  16 and name HG12 ) 0.0 0.0 5.0
assign (resid   9 and name HN   ) (resid  54 and name HN   ) 0.0 0.0 3.5
assign (resid   9 and name HN   ) (resid  55 and name HA   ) 0.0 0.0 3.5
assign (resid   9 and name HN   ) (resid  56 and name HG2* ) 0.0 0.0 3.5
assign (resid  10 and name HN   ) (resid   9 and name HA   ) 0.0 0.0 2.7
assign (resid  10 and name HN   ) (resid  13 and name HN   ) 0.0 0.0 5.0
assign (resid  10 and name HN   ) (resid  14 and name HA1  ) 0.0 0.0 5.0
assign (resid  10 and name HN   ) (resid  14 and name HN   ) 0.0 0.0 5.0
assign (resid  10 and name HN   ) (resid  15 and name HN   ) 0.0 0.0 3.5
assign (resid  10 and name HN   ) (resid  16 and name HA   ) 0.0 0.0 3.5
assign (resid  10 and name HN   ) (resid  16 and name HG12 ) 0.0 0.0 5.0
assign (resid  10 and name HA   ) (resid  52 and name HE21 ) 0.0 0.0 5.0
assign (resid  10 and name HA   ) (resid  53 and name HD*  ) 0.0 0.0 5.0
assign (resid  11 and name HA   ) (resid  10 and name HA   ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  10 and name HA   ) 0.0 0.0 2.7
assign (resid  11 and name HN   ) (resid  10 and name HB2  ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  11 and name HA   ) 0.0 0.0 3.5
assign (resid  11 and name HB1  ) (resid  12 and name HN   ) 0.0 0.0 3.5
assign (resid  11 and name HB2  ) (resid  12 and name HN   ) 0.0 0.0 3.5
assign (resid  11 and name HN   ) (resid  12 and name HN   ) 0.0 0.0 3.5
assign (resid  11 and name HN   ) (resid  52 and name HE21 ) 0.0 0.0 5.0
assign (resid  11 and name HN   ) (resid  53 and name HA   ) 0.0 0.0 3.5
assign (resid  11 and name HN   ) (resid  54 and name HN   ) 0.0 0.0 5.0
assign (resid  12 and name HN   ) (resid  10 and name HA   ) 0.0 0.0 5.0
assign (resid  12 and name HN   ) (resid  10 and name HB1  ) 0.0 0.0 3.5
assign (resid  12 and name HN   ) (resid  10 and name HB2  ) 0.0 0.0 5.0
assign (resid  12 and name HN   ) (resid  11 and name HA   ) 0.0 0.0 3.5
assign (resid  12 and name HN   ) (resid  12 and name HA   ) 0.0 0.0 3.5
assign (resid  12 and name HN   ) (resid  13 and name HN   ) 0.0 0.0 3.5
assign (resid  12 and name HB*  ) (resid  52 and name HE22 ) 0.0 0.0 3.5
assign (resid  12 and name HN   ) (resid  52 and name HE21 ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  10 and name HA   ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  10 and name HB1  ) 0.0 0.0 3.5
assign (resid  13 and name HN   ) (resid  10 and name HB2  ) 0.0 0.0 5.0
assign (resid  13 and name HA   ) (resid  12 and name HB*  ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  12 and name HA   ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  13 and name HA   ) 0.0 0.0 3.5
assign (resid  13 and name HN   ) (resid  13 and name HB1  ) 0.0 0.0 3.5
assign (resid  13 and name HN   ) (resid  13 and name HB2  ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  14 and name HN   ) 0.0 0.0 2.7
assign (resid  13 and name HB2  ) (resid  15 and name HN   ) 0.0 0.0 5.0
assign (resid  13 and name HN   ) (resid  15 and name HN   ) 0.0 0.0 3.5
assign (resid  13 and name HB1  ) (resid  46 and name HA   ) 0.0 0.0 5.0
assign (resid  13 and name HB2  ) (resid  46 and name HA   ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  10 and name HA   ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  10 and name HB1  ) 0.0 0.0 3.5
assign (resid  14 and name HN   ) (resid  10 and name HB2  ) 0.0 0.0 3.5
assign (resid  14 and name HN   ) (resid  12 and name HB*  ) 0.0 0.0 5.0
assign (resid  14 and name HN   ) (resid  13 and name HA   ) 0.0 0.0 3.5
assign (resid  14 and name HN   ) (resid  15 and name HN   ) 0.0 0.0 3.5
assign (resid  15 and name HB*  ) (resid  10 and name HB1  ) 0.0 0.0 3.5
assign (resid  15 and name HB*  ) (resid  10 and name HN   ) 0.0 0.0 5.0
assign (resid  15 and name HN   ) (resid  10 and name HB1  ) 0.0 0.0 3.5
assign (resid  15 and name HN   ) (resid  13 and name HA   ) 0.0 0.0 5.0
assign (resid  15 and name HN   ) (resid  14 and name HA1  ) 0.0 0.0 3.5
assign (resid  15 and name HN   ) (resid  14 and name HA2  ) 0.0 0.0 3.5
assign (resid  15 and name HN   ) (resid  15 and name HA   ) 0.0 0.0 3.5
assign (resid  15 and name HN   ) (resid  45 and name HB*  ) 0.0 0.0 5.0
assign (resid  15 and name HD*  ) (resid  53 and name HE*  ) 0.0 0.0 3.5
assign (resid  15 and name HD*  ) (resid  53 and name HE*  ) 0.0 0.0 3.5 
assign (resid  15 and name HE*  ) (resid  53 and name HD*  ) 0.0 0.0 5.0
assign (resid  15 and name HE*  ) (resid  53 and name HE*  ) 0.0 0.0 5.0
assign (resid  16 and name HG2* ) (resid   9 and name HA   ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid   9 and name HA   ) 0.0 0.0 5.0
assign (resid  16 and name HN   ) (resid  15 and name HA   ) 0.0 0.0 2.7
assign (resid  16 and name HN   ) (resid  15 and name HB*  ) 0.0 0.0 3.5
assign (resid  16 and name HN   ) (resid  15 and name HE*  ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid   9 and name HA   ) 0.0 0.0 3.5
assign (resid  17 and name HA   ) (resid  15 and name HE*  ) 0.0 0.0 3.5
assign (resid  17 and name HN   ) (resid  15 and name HE*  ) 0.0 0.0 3.5
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 HG12 ) 0.0 0.0 5.0
assign (resid  17 and name HN   ) (resid  16 and name HG2* ) 0.0 0.0 3.5
assign (resid  17 and name HN   ) (resid  16 and name HG2* ) 0.0 0.0 3.5
assign (resid  17 and name HH   ) (resid  28 and name HG2* ) 0.0 0.0 3.5 
assign (resid  17 and name HH   ) (resid  32 and name HB   ) 0.0 0.0 3.5 
assign (resid  17 and name HH   ) (resid  32 and name HG2* ) 0.0 0.0 3.5 
assign (resid  17 and name HH   ) (resid  32 and name HN   ) 0.0 0.0 5.0 
assign (resid  17 and name HB*  ) (resid  34 and name HD*  ) 0.0 0.0 5.0
assign (resid  17 and name HH   ) (resid  37 and name HD1* ) 0.0 0.0 5.0 
assign (resid  17 and name HH   ) (resid  37 and name HD2* ) 0.0 0.0 3.5 
assign (resid  18 and name HG1  ) (resid  16 and name HG2* ) 0.0 0.0 3.5
assign (resid  18 and name HG2  ) (resid  16 and name HG2* ) 0.0 0.0 3.5
assign (resid  18 and name HN   ) (resid  17 and name HA   ) 0.0 0.0 2.7
assign (resid  18 and name HN   ) (resid  17 and name HD*  ) 0.0 0.0 3.5
assign (resid  18 and name HB*  ) (resid  21 and name HN   ) 0.0 0.0 3.5
assign (resid  19 and name HD1  ) (resid   7 and name HA   ) 0.0 0.0 3.5
assign (resid  19 and name HD2  ) (resid   7 and name HA   ) 0.0 0.0 3.5
assign (resid  19 and name HA   ) (resid  17 and name HE*  ) 0.0 0.0 3.5
assign (resid  19 and name HB1  ) (resid  17 and name HE*  ) 0.0 0.0 5.0
assign (resid  19 and name HB2  ) (resid  17 and name HE*  ) 0.0 0.0 3.5
assign (resid  19 and name HD1  ) (resid  17 and name HD*  ) 0.0 0.0 5.0
assign (resid  19 and name HD1  ) (resid  17 and name HE*  ) 0.0 0.0 5.0
assign (resid  19 and name HG*  ) (resid  17 and name HD*  ) 0.0 0.0 5.0
assign (resid  19 and name HG*  ) (resid  17 and name HE*  ) 0.0 0.0 5.0
assign (resid  19 and name HD1  ) (resid  18 and name HA   ) 0.0 0.0 2.7
assign (resid  19 and name HD2  ) (resid  18 and name HA   ) 0.0 0.0 2.7
assign (resid  19 and name HA   ) (resid  20 and name HN   ) 0.0 0.0 3.5
assign (resid  19 and name HB1  ) (resid  20 and name HN   ) 0.0 0.0 2.7
assign (resid  19 and name HB2  ) (resid  20 and name HN   ) 0.0 0.0 3.5
assign (resid  19 and name HB1  ) (resid  33 and name HA   ) 0.0 0.0 3.5
assign (resid  19 and name HB2  ) (resid  33 and name HA   ) 0.0 0.0 3.5
assign (resid  19 and name HG*  ) (resid  34 and name HN   ) 0.0 0.0 3.5
assign (resid  20 and name HN   ) (resid  19 and name HG*  ) 0.0 0.0 3.5
assign (resid  20 and name HN   ) (resid  20 and name HA   ) 0.0 0.0 3.5
assign (resid  20 and name HB*  ) (resid  21 and name HN   ) 0.0 0.0 3.5
assign (resid  20 and name HN   ) (resid  21 and name HN   ) 0.0 0.0 3.5
assign (resid  20 and name HN   ) (resid  22 and name HN   ) 0.0 0.0 5.0
assign (resid  20 and name HA   ) (resid  31 and name HA1  ) 0.0 0.0 3.5
assign (resid  20 and name HA   ) (resid  31 and name HN   ) 0.0 0.0 2.7
assign (resid  20 and name HN   ) (resid  31 and name HN   ) 0.0 0.0 5.0
assign (resid  20 and name HA   ) (resid  32 and name HN   ) 0.0 0.0 5.0
assign (resid  21 and name HN   ) (resid  20 and name HA   ) 0.0 0.0 3.5
assign (resid  21 and name HN   ) (resid  21 and name HA   ) 0.0 0.0 3.5
assign (resid  21 and name HN   ) (resid  22 and name HN   ) 0.0 0.0 2.7
assign (resid  21 and name HA   ) (resid  30 and name HA   ) 0.0 0.0 3.5
assign (resid  21 and name HA   ) (resid  30 and name HB2  ) 0.0 0.0 3.5
assign (resid  21 and name HN   ) (resid  31 and name HN   ) 0.0 0.0 5.0
assign (resid  22 and name HN   ) (resid  17 and name HE*  ) 0.0 0.0 5.0
assign (resid  22 and name HN   ) (resid  19 and name HA   ) 0.0 0.0 3.5
assign (resid  22 and name HN   ) (resid  21 and name HA   ) 0.0 0.0 3.5
assign (resid  22 and name HN   ) (resid  21 and name HB*  ) 0.0 0.0 3.5
assign (resid  22 and name HN   ) (resid  23 and name HN   ) 0.0 0.0 5.0
assign (resid  22 and name HA*  ) (resid  28 and name HG2* ) 0.0 0.0 3.5
assign (resid  22 and name HN   ) (resid  28 and name HG2* ) 0.0 0.0 5.0
assign (resid  22 and name HN   ) (resid  30 and name HB2  ) 0.0 0.0 5.0
assign (resid  22 and name HN   ) (resid  31 and name HN   ) 0.0 0.0 5.0
assign (resid  23 and name HN   ) (resid  17 and name HE*  ) 0.0 0.0 5.0
assign (resid  23 and name HN   ) (resid  22 and name HA*  ) 0.0 0.0 2.7
assign (resid  23 and name HN   ) (resid  23 and name HA   ) 0.0 0.0 3.5
assign (resid  23 and name HA   ) (resid  24 and name HN   ) 0.0 0.0 3.5
assign (resid  23 and name HN   ) (resid  24 and name HN   ) 0.0 0.0 3.5
assign (resid  23 and name HB*  ) (resid  26 and name HN   ) 0.0 0.0 3.5
assign (resid  23 and name HB*  ) (resid  28 and name HG11 ) 0.0 0.0 5.0
assign (resid  23 and name HN   ) (resid  28 and name HA   ) 0.0 0.0 5.0
assign (resid  23 and name HN   ) (resid  28 and name HG2* ) 0.0 0.0 3.5
assign (resid  23 and name HN   ) (resid  28 and name HN   ) 0.0 0.0 3.5
assign (resid  24 and name HA   ) (resid  23 and name HB*  ) 0.0 0.0 5.0
assign (resid  24 and name HB1  ) (resid  23 and name HA   ) 0.0 0.0 5.0
assign (resid  24 and name HN   ) (resid  23 and name HB*  ) 0.0 0.0 5.0
assign (resid  24 and name HN   ) (resid  24 and name HA   ) 0.0 0.0 3.5
assign (resid  24 and name HA   ) (resid  25 and name HN   ) 0.0 0.0 3.5
assign (resid  24 and name HB2  ) (resid  25 and name HN   ) 0.0 0.0 3.5
assign (resid  24 and name HN   ) (resid  25 and name HN   ) 0.0 0.0 3.5
assign (resid  24 and name HA   ) (resid  28 and name HN   ) 0.0 0.0 5.0
assign (resid  25 and name HN   ) (resid  23 and name HA   ) 0.0 0.0 5.0 
assign (resid  25 and name HN   ) (resid  23 and name HB*  ) 0.0 0.0 5.0
assign (resid  25 and name HN   ) (resid  24 and name HB1  ) 0.0 0.0 3.5
assign (resid  25 and name HN   ) (resid  24 and name HG*  ) 0.0 0.0 5.0
assign (resid  25 and name HN   ) (resid  25 and name HA   ) 0.0 0.0 3.5
assign (resid  25 and name HN   ) (resid  26 and name HN   ) 0.0 0.0 3.5
assign (resid  25 and name HN   ) (resid  27 and name HN   ) 0.0 0.0 5.0
assign (resid  25 and name HB*  ) (resid  44 and name HB1  ) 0.0 0.0 5.0
assign (resid  25 and name HB*  ) (resid  44 and name HB2  ) 0.0 0.0 5.0
assign (resid  26 and name HB*  ) (resid  23 and name HB*  ) 0.0 0.0 2.7
assign (resid  26 and name HN   ) (resid  24 and name HN   ) 0.0 0.0 5.0
assign (resid  26 and name HB*  ) (resid  25 and name HB*  ) 0.0 0.0 5.0
assign (resid  26 and name HN   ) (resid  25 and name HB*  ) 0.0 0.0 3.5
assign (resid  26 and name HN   ) (resid  26 and name HA   ) 0.0 0.0 3.5
assign (resid  26 and name HN   ) (resid  27 and name HN   ) 0.0 0.0 3.5
assign (resid  26 and name HB*  ) (resid  28 and name HD1* ) 0.0 0.0 3.5
assign (resid  26 and name HB*  ) (resid  28 and name HN   ) 0.0 0.0 5.0
assign (resid  26 and name HN   ) (resid  28 and name HN   ) 0.0 0.0 3.5
assign (resid  26 and name HB*  ) (resid  41 and name HD*  ) 0.0 0.0 3.5
assign (resid  26 and name HB*  ) (resid  44 and name HA   ) 0.0 0.0 5.0
assign (resid  26 and name HB*  ) (resid  44 and name HB2  ) 0.0 0.0 3.5
assign (resid  26 and name HB*  ) (resid  44 and name HD2  ) 0.0 0.0 5.0
assign (resid  26 and name HN   ) (resid  44 and name HB2  ) 0.0 0.0 5.0
assign (resid  27 and name HN   ) (resid  23 and name HB*  ) 0.0 0.0 5.0
assign (resid  27 and name HN   ) (resid  25 and name HB*  ) 0.0 0.0 5.0
assign (resid  27 and name HN   ) (resid  26 and name HA   ) 0.0 0.0 3.5
assign (resid  27 and name HN   ) (resid  26 and name HB*  ) 0.0 0.0 3.5
assign (resid  27 and name HA2  ) (resid  28 and name HN   ) 0.0 0.0 3.5
assign (resid  27 and name HN   ) (resid  28 and name HB   ) 0.0 0.0 5.0
assign (resid  27 and name HN   ) (resid  28 and name HN   ) 0.0 0.0 3.5
assign (resid  28 and name HG2* ) (resid  17 and name HE*  ) 0.0 0.0 3.5
assign (resid  28 and name HB   ) (resid  22 and name HA*  ) 0.0 0.0 5.0
assign (resid  28 and name HB   ) (resid  23 and name HB*  ) 0.0 0.0 3.5
assign (resid  28 and name HB   ) (resid  23 and name HN   ) 0.0 0.0 3.5
assign (resid  28 and name HD1* ) (resid  23 and name HB*  ) 0.0 0.0 3.5
assign (resid  28 and name HG2* ) (resid  23 and name HB*  ) 0.0 0.0 5.0
assign (resid  28 and name HN   ) (resid  23 and name HB*  ) 0.0 0.0 3.5
assign (resid  28 and name HN   ) (resid  28 and name HA   ) 0.0 0.0 3.5
assign (resid  28 and name HG2* ) (resid  29 and name HD2  ) 0.0 0.0 3.5
assign (resid  28 and name HG2* ) (resid  32 and name HB   ) 0.0 0.0 3.5
assign (resid  28 and name HD1* ) (resid  37 and name HD1* ) 0.0 0.0 3.5
assign (resid  28 and name HD1* ) (resid  37 and name HD2* ) 0.0 0.0 2.7
assign (resid  28 and name HG11 ) (resid  37 and name HD2  ) 0.0 0.0 2.7
assign (resid  28 and name HG12 ) (resid  37 and name HD2* ) 0.0 0.0 2.7
assign (resid  28 and name HG2* ) (resid  37 and name HD1* ) 0.0 0.0 5.0
assign (resid  28 and name HG2* ) (resid  37 and name HD2* ) 0.0 0.0 3.5
assign (resid  28 and name HD1* ) (resid  41 and name HD*  ) 0.0 0.0 3.5
assign (resid  30 and name HA   ) (resid  21 and name HN   ) 0.0 0.0 5.0
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assign (resid  30 and name HA   ) (resid  32 and name HN   ) 0.0 0.0 3.5
assign (resid  31 and name HN   ) (resid  21 and name HA   ) 0.0 0.0 5.0
assign (resid  31 and name HN   ) (resid  30 and name HA   ) 0.0 0.0 2.7
assign (resid  31 and name HN   ) (resid  30 and name HB1  ) 0.0 0.0 3.5
assign (resid  31 and name HN   ) (resid  30 and name HB2  ) 0.0 0.0 3.5
assign (resid  31 and name HN   ) (resid  30 and name HG*  ) 0.0 0.0 3.5
assign (resid  31 and name HN   ) (resid  32 and name HN   ) 0.0 0.0 3.5
assign (resid  32 and name HN   ) (resid  19 and name HB1  ) 0.0 0.0 5.0
assign (resid  32 and name HN   ) (resid  31 and name HA1  ) 0.0 0.0 3.5
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assign (resid  55 and name HN   ) (resid   8 and name HD*  ) 0.0 0.0 5.0
assign (resid  55 and name HN   ) (resid   8 and name HE*  ) 0.0 0.0 3.5
assign (resid  55 and name HN   ) (resid  54 and name HA   ) 0.0 0.0 2.7
assign (resid  55 and name HB1  ) (resid  56 and name HN   ) 0.0 0.0 3.5
assign (resid  55 and name HB2  ) (resid  56 and name HN   ) 0.0 0.0 3.5
assign (resid  56 and name HN   ) (resid   8 and name HA   ) 0.0 0.0 3.5
assign (resid  56 and name HN   ) (resid   8 and name HD*  ) 0.0 0.0 5.0
assign (resid  56 and name HN   ) (resid   9 and name HN   ) 0.0 0.0 5.0
assign (resid  56 and name HN   ) (resid  55 and name HA   ) 0.0 0.0 2.7
assign (resid  56 and name HN   ) (resid  56 and name HA   ) 0.0 0.0 3.5
assign (resid  56 and name HN   ) (resid  57 and name HN   ) 0.0 0.0 3.5
assign (resid  57 and name HA   ) (resid   4 and name HA   ) 0.0 0.0 2.7
assign (resid  57 and name HA   ) (resid   5 and name HN   ) 0.0 0.0 5.0
assign (resid  57 and name HN   ) (resid  56 and name HA   ) 0.0 0.0 2.7
assign (resid  57 and name HN   ) (resid  58 and name HN   ) 0.0 0.0 3.5
assign (resid  58 and name HN   ) (resid   3 and name HN   ) 0.0 0.0 3.5
assign (resid  58 and name HN   ) (resid   4 and name HB2  ) 0.0 0.0 5.0
assign (resid  58 and name HN   ) (resid  57 and name HA   ) 0.0 0.0 2.7
assign (resid  59 and name HA   ) (resid   2 and name HA   ) 0.0 0.0 3.5
assign (resid  59 and name HA   ) (resid   3 and name HN   ) 0.0 0.0 3.5
assign (resid  59 and name HN   ) (resid  58 and name HA   ) 0.0 0.0 2.7
assign (resid  59 and name HA   ) (resid  60 and name HN   ) 0.0 0.0 2.7
assign (resid  60 and name HN   ) (resid   2 and name HA   ) 0.0 0.0 3.5


! Hydrogen bond restraints

assign (resid 8 and name hn ) (resid 17 and name o) 1.7 0.0 0.6
assign (resid 8 and name n) (resid 17 and name o)   2.4 0.0 0.9

assign (resid 9 and name hn ) (resid 54 and name o) 1.7 0.0 0.6
assign (resid 9 and name n) (resid 54 and name o)   2.4 0.0 0.9

assign (resid 10 and name hn ) (resid 15 and name o) 1.7 0.0 0.6
assign (resid 10 and name n) (resid 15 and name o)   2.4 0.0 0.9

assign (resid 11 and name hn ) (resid 52 and name o) 1.7 0.0 0.6
assign (resid 11 and name n) (resid 52 and name o)   2.4 0.0 0.9

assign (resid 12 and name hn ) (resid 10 and name sg) 1.7 0.0 1.3
assign (resid 12 and name n) (resid 10 and name sg)   2.4 0.0 1.6

assign (resid 13 and name hn ) (resid 10 and name sg) 1.7 0.0 1.3
assign (resid 13 and name n) (resid 10 and name sg)   2.4 0.0 1.6

assign (resid 14 and name hn ) (resid 10 and name o) 1.7 0.0 0.6
assign (resid 14 and name n) (resid 10 and name o)   2.4 0.0 0.9

assign (resid 15 and name hn ) (resid 13 and name sg) 1.7 0.0 1.3
assign (resid 15 and name n) (resid 13 and name sg)   2.4 0.0 1.6

assign (resid 17 and name hn ) (resid 8 and name o) 1.7 0.0 0.6
assign (resid 17 and name n) (resid 8 and name o)   2.4 0.0 0.9

assign (resid 36 and name hn ) (resid 33 and name o) 1.7 0.0 0.6
assign (resid 36 and name n) (resid 33 and name o)   2.4 0.0 0.9

assign (resid 37 and name hn ) (resid 34 and name o) 1.7 0.0 0.6
assign (resid 37 and name n) (resid 34 and name o)   2.4 0.0 0.9

assign (resid 43 and name hn ) (resid 48 and name o) 1.7 0.0 0.6
assign (resid 43 and name n) (resid 48 and name o)   2.4 0.0 0.9

assign (resid 45 and name hn ) (resid 43 and name sg) 1.7 0.0 1.3
assign (resid 45 and name n) (resid 43 and name sg)   2.4 0.0 1.6

assign (resid 46 and name hn ) (resid 43 and name sg) 1.7 0.0 1.3
assign (resid 46 and name n) (resid 43 and name sg)   2.4 0.0 1.6

assign (resid 47 and name hn ) (resid 43 and name o) 1.7 0.0 0.6
assign (resid 47 and name n) (resid 43 and name o)   2.4 0.0 0.9

assign (resid 48 and name hn ) (resid 46 and name sg) 1.7 0.0 1.3
assign (resid 48 and name n) (resid 46 and name sg)   2.4 0.0 1.6

assign (resid 53 and name hn ) (resid 50 and name o) 1.7 0.0 0.6
assign (resid 53 and name n) (resid 50 and name o)   2.4 0.0 0.9

assign (resid 54 and name hn ) (resid 9 and name o) 1.7 0.0 0.6
assign (resid 54 and name n) (resid 9 and name o)   2.4 0.0 0.9


! Diehdral angle restraints

assign (resid 7 and name c ) (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c) 10 -120 40 2

assign (resid 8 and name c ) (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c) 10 -120 40 2

assign (resid 9 and name c ) (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c) 10 -60 25 2

assign (resid 10 and name c ) (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c) 10 -60 25 2

assign (resid 11 and name c ) (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c) 10 -60 25 2

assign (resid 12 and name c ) (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c) 10 -120 40 2

assign (resid 14 and name c ) (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c) 10 -60 25 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 19 and name c ) (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 10 -60 25 2

assign (resid 20 and name c ) (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c) 10 -120 40 2

assign (resid 22 and name c ) (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 10 -60 25 2

assign (resid 23 and name c ) (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 10 -60 25 2

assign (resid 24 and name c ) (resid 25 and name n)
       (resid 25 and name ca) (resid 25 and name c) 10 -60 25 2

assign (resid 34 and name c ) (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c) 10 -60 25 2

assign (resid 36 and name c ) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 10 -60 25 2

assign (resid 37 and name c ) (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c) 10 -60 25 2

assign (resid 40 and name c ) (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 10 -60 25 2

assign (resid 41 and name c ) (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c) 10 -120 40 2

assign (resid 47 and name c ) (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c) 10 -60 25 2

assign (resid 50 and name c ) (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 10 -60 25 2

assign (resid 51 and name c ) (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c) 10 -120 40 2

assign (resid 52 and name c ) (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c) 10 -120 40 2

assign (resid 53 and name c ) (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c) 10 -120 40 2

assign (resid 55 and name c ) (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c) 10 -120 40 2

assign (resid 59 and name c ) (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 10 -120 40 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1          1H        MET   1 -14.876  -4.965   3.515
    2    H2   MET   1          2H        MET   1 -14.857  -6.083   2.236
    3    H3   MET   1          3H        MET   1 -14.366  -4.477   1.973
    4    HA   MET   1           HA       MET   1 -16.531  -3.647   2.087
    5   1HB   MET   1          1HB       MET   1 -15.929  -6.102   0.587
    6   2HB   MET   1          2HB       MET   1 -17.657  -5.800   0.762
    7   1HG   MET   1          1HG       MET   1 -17.080  -3.367   0.050
    8   2HG   MET   1          2HG       MET   1 -15.562  -4.056  -0.527
    9   1HE   MET   1          1HE       MET   1 -19.267  -3.613  -0.882
   10   2HE   MET   1          2HE       MET   1 -18.316  -2.631  -1.993
   11   3HE   MET   1          3HE       MET   1 -19.444  -3.841  -2.620
   12    H    GLU   2           H        GLU   2 -17.314  -7.101   2.377
   13    HA   GLU   2           HA       GLU   2 -18.790  -6.515   4.917
   14   1HB   GLU   2          1HB       GLU   2 -20.122  -6.482   2.684
   15   2HB   GLU   2          2HB       GLU   2 -19.890  -8.230   2.688
   16   1HG   GLU   2          1HG       GLU   2 -20.720  -7.508   5.306
   17   2HG   GLU   2          2HG       GLU   2 -21.791  -6.671   4.183
   18    H    ILE   3           H        ILE   3 -17.489  -7.786   6.275
   19    HA   ILE   3           HA       ILE   3 -17.382 -10.705   5.623
   20    HB   ILE   3           HB       ILE   3 -15.105  -9.037   6.728
   21   1HG1  ILE   3          1HG1      ILE   3 -15.483 -10.145   3.929
   22   2HG1  ILE   3          2HG1      ILE   3 -15.665  -8.447   4.369
   23   1HG2  ILE   3          1HG2      ILE   3 -15.474 -11.922   5.975
   24   2HG2  ILE   3          2HG2      ILE   3 -13.878 -11.180   5.865
   25   3HG2  ILE   3          3HG2      ILE   3 -14.718 -11.239   7.415
   26   1HD1  ILE   3          1HD1      ILE   3 -13.319  -8.407   5.155
   27   2HD1  ILE   3          2HD1      ILE   3 -13.139 -10.098   4.690
   28   3HD1  ILE   3          3HD1      ILE   3 -13.416  -8.869   3.456
   29    H    ASP   4           H        ASP   4 -16.850 -11.998   7.630
   30    HA   ASP   4           HA       ASP   4 -16.898 -10.986  10.286
   31   1HB   ASP   4          1HB       ASP   4 -19.336 -10.607   8.938
   32   2HB   ASP   4          2HB       ASP   4 -19.612 -11.988   9.997
   33    H    GLU   5           H        GLU   5 -17.698 -13.586   8.070
   34    HA   GLU   5           HA       GLU   5 -18.086 -15.664  10.027
   35   1HB   GLU   5          1HB       GLU   5 -18.250 -15.294   7.262
   36   2HB   GLU   5          2HB       GLU   5 -16.972 -16.493   7.460
   37   1HG   GLU   5          1HG       GLU   5 -18.584 -18.042   7.753
   38   2HG   GLU   5          2HG       GLU   5 -18.975 -17.250   9.280
   39    H    GLY   6           H        GLY   6 -15.984 -14.590  11.203
   40   1HA   GLY   6          1HA       GLY   6 -13.742 -14.857  11.850
   41   2HA   GLY   6          2HA       GLY   6 -14.016 -16.549  11.457
   42    H    LYS   7           H        LYS   7 -14.296 -14.109   8.960
   43    HA   LYS   7           HA       LYS   7 -12.214 -15.411   7.381
   44   1HB   LYS   7          1HB       LYS   7 -14.426 -13.687   7.013
   45   2HB   LYS   7          2HB       LYS   7 -13.014 -12.787   6.462
   46   1HG   LYS   7          1HG       LYS   7 -13.363 -13.943   4.523
   47   2HG   LYS   7          2HG       LYS   7 -12.489 -15.219   5.371
   48   1HD   LYS   7          2HD       LYS   7 -14.801 -15.923   6.290
   49   2HD   LYS   7          1HD       LYS   7 -14.459 -16.283   4.598
   50   1HE   LYS   7          1HE       LYS   7 -16.398 -14.357   5.760
   51   2HE   LYS   7          2HE       LYS   7 -15.505 -13.786   4.338
   52   1HZ   LYS   7          1HZ       LYS   7 -16.861 -16.428   4.547
   53   2HZ   LYS   7          2HZ       LYS   7 -17.511 -15.080   3.748
   54   3HZ   LYS   7          3HZ       LYS   7 -16.083 -15.799   3.174
   55    H    TYR   8           H        TYR   8 -10.063 -15.026   7.779
   56    HA   TYR   8           HA       TYR   8  -9.271 -12.437   9.035
   57   1HB   TYR   8          1HB       TYR   8  -8.136 -15.207   8.771
   58   2HB   TYR   8          2HB       TYR   8  -7.044 -13.866   9.113
   59    HD1  TYR   8           HD1      TYR   8 -10.566 -14.533  10.226
   60    HD2  TYR   8           HD2      TYR   8  -6.466 -13.976  11.381
   61    HE1  TYR   8           HE1      TYR   8 -11.235 -14.617  12.608
   62    HE2  TYR   8           HE2      TYR   8  -7.132 -14.062  13.769
   63    HH   TYR   8           HH       TYR   8 -10.547 -14.425  14.726
   64    H    GLU   9           H        GLU   9  -7.726 -11.080   8.015
   65    HA   GLU   9           HA       GLU   9  -7.163 -11.728   5.139
   66   1HB   GLU   9          1HB       GLU   9  -8.760  -9.846   5.703
   67   2HB   GLU   9          2HB       GLU   9  -7.411  -9.019   6.483
   68   1HG   GLU   9          1HG       GLU   9  -6.188  -9.423   4.201
   69   2HG   GLU   9          2HG       GLU   9  -7.820  -9.640   3.567
   70    H    CYS  10           H        CYS  10  -5.011 -11.911   4.646
   71    HA   CYS  10           HA       CYS  10  -2.939 -11.585   6.634
   72   1HB   CYS  10          1HB       CYS  10  -3.131 -13.066   4.484
   73   2HB   CYS  10          2HB       CYS  10  -2.530 -11.640   3.659
   74    H    GLU  11           H        GLU  11  -2.366  -9.529   7.323
   75    HA   GLU  11           HA       GLU  11  -2.704  -7.142   5.724
   76   1HB   GLU  11          1HB       GLU  11  -1.919  -7.947   8.359
   77   2HB   GLU  11          2HB       GLU  11  -0.693  -6.845   7.735
   78   1HG   GLU  11          1HG       GLU  11  -3.565  -6.126   7.318
   79   2HG   GLU  11          2HG       GLU  11  -2.890  -5.926   8.935
   80    H    ALA  12           H        ALA  12  -0.388  -9.663   5.658
   81    HA   ALA  12           HA       ALA  12   1.874  -8.036   4.755
   82   1HB   ALA  12          1HB       ALA  12   2.018 -10.115   6.140
   83   2HB   ALA  12          3HB       ALA  12   2.976 -10.206   4.662
   84   3HB   ALA  12          2HB       ALA  12   1.421 -11.032   4.757
   85    H    CYS  13           H        CYS  13  -0.487 -10.280   3.200
   86    HA   CYS  13           HA       CYS  13   0.573  -9.266   0.587
   87   1HB   CYS  13          2HB       CYS  13   1.160 -11.643   1.328
   88   2HB   CYS  13          1HB       CYS  13   0.456 -11.479  -0.276
   89    H    GLY  14           H        GLY  14  -2.309 -10.285   2.376
   90   1HA   GLY  14          1HA       GLY  14  -4.379  -8.967   1.937
   91   2HA   GLY  14          2HA       GLY  14  -3.938  -8.980   0.230
   92    H    TYR  15           H        TYR  15  -3.430 -11.879   2.045
   93    HA   TYR  15           HA       TYR  15  -5.364 -13.329   0.381
   94   1HB   TYR  15          1HB       TYR  15  -3.163 -14.256   0.875
   95   2HB   TYR  15          2HB       TYR  15  -3.446 -14.095   2.607
   96    HD1  TYR  15           HD1      TYR  15  -4.995 -15.584   3.781
   97    HD2  TYR  15           HD2      TYR  15  -4.248 -16.012  -0.426
   98    HE1  TYR  15           HE1      TYR  15  -6.048 -17.828   3.824
   99    HE2  TYR  15           HE2      TYR  15  -5.300 -18.257  -0.385
  100    HH   TYR  15           HH       TYR  15  -6.617 -19.648   0.854
  101    H    ILE  16           H        ILE  16  -7.120 -14.599   1.326
  102    HA   ILE  16           HA       ILE  16  -8.054 -13.525   3.966
  103    HB   ILE  16           HB       ILE  16  -9.491 -14.210   1.389
  104   1HG1  ILE  16          2HG1      ILE  16  -9.125 -11.730   3.078
  105   2HG1  ILE  16          1HG1      ILE  16 -10.381 -11.845   1.846
  106   1HG2  ILE  16          1HG2      ILE  16 -10.655 -13.698   4.143
  107   2HG2  ILE  16          2HG2      ILE  16 -11.594 -13.620   2.653
  108   3HG2  ILE  16          3HG2      ILE  16 -10.864 -15.145   3.156
  109   1HD1  ILE  16          1HD1      ILE  16  -8.112 -12.767   0.535
  110   2HD1  ILE  16          2HD1      ILE  16  -8.802 -11.151   0.382
  111   3HD1  ILE  16          3HD1      ILE  16  -7.498 -11.447   1.532
  112    H    TYR  17           H        TYR  17  -7.722 -15.172   5.428
  113    HA   TYR  17           HA       TYR  17  -7.789 -17.989   4.681
  114   1HB   TYR  17          1HB       TYR  17  -6.329 -17.237   6.447
  115   2HB   TYR  17          2HB       TYR  17  -7.658 -16.438   7.285
  116    HD1  TYR  17           HD1      TYR  17  -6.440 -19.795   6.174
  117    HD2  TYR  17           HD2      TYR  17  -8.954 -17.602   8.884
  118    HE1  TYR  17           HE1      TYR  17  -6.924 -21.884   7.422
  119    HE2  TYR  17           HE2      TYR  17  -9.435 -19.692  10.126
  120    HH   TYR  17           HH       TYR  17  -9.406 -22.299   9.418
  121    H    GLU  18           H        GLU  18  -9.616 -19.220   4.555
  122    HA   GLU  18           HA       GLU  18 -12.157 -18.125   5.671
  123   1HB   GLU  18          1HB       GLU  18 -11.354 -20.042   3.495
  124   2HB   GLU  18          2HB       GLU  18 -12.994 -20.091   4.140
  125   1HG   GLU  18          1HG       GLU  18 -13.020 -17.537   3.743
  126   2HG   GLU  18          2HG       GLU  18 -11.598 -17.811   2.737
  127    HA   PRO  19           HA       PRO  19 -11.381 -21.282   8.810
  128   1HB   PRO  19          1HB       PRO  19 -13.454 -20.539  10.447
  129   2HB   PRO  19          2HB       PRO  19 -11.875 -19.746  10.440
  130   1HG   PRO  19          1HG       PRO  19 -14.424 -18.879   9.178
  131   2HG   PRO  19          2HG       PRO  19 -13.179 -17.918   9.982
  132   1HD   PRO  19          1HD       PRO  19 -13.426 -18.097   7.269
  133   2HD   PRO  19          2HD       PRO  19 -11.888 -17.777   8.096
  134    H    GLU  20           H        GLU  20 -14.840 -20.546   8.500
  135    HA   GLU  20           HA       GLU  20 -15.893 -23.107   8.748
  136   1HB   GLU  20          1HB       GLU  20 -17.188 -21.026   8.616
  137   2HB   GLU  20          2HB       GLU  20 -16.745 -20.840   6.919
  138   1HG   GLU  20          1HG       GLU  20 -17.861 -23.031   6.441
  139   2HG   GLU  20          2HG       GLU  20 -18.402 -23.078   8.119
  140    H    LYS  21           H        LYS  21 -14.203 -21.746   5.986
  141    HA   LYS  21           HA       LYS  21 -14.968 -24.017   4.241
  142   1HB   LYS  21          1HB       LYS  21 -14.490 -21.340   3.845
  143   2HB   LYS  21          2HB       LYS  21 -12.952 -22.051   3.355
  144   1HG   LYS  21          2HG       LYS  21 -14.523 -23.751   2.064
  145   2HG   LYS  21          1HG       LYS  21 -14.133 -22.183   1.358
  146   1HD   LYS  21          1HD       LYS  21 -16.700 -23.185   1.897
  147   2HD   LYS  21          2HD       LYS  21 -16.410 -21.979   3.150
  148   1HE   LYS  21          1HE       LYS  21 -16.499 -20.255   1.655
  149   2HE   LYS  21          2HE       LYS  21 -15.539 -21.140   0.453
  150   1HZ   LYS  21          1HZ       LYS  21 -18.290 -21.990   1.125
  151   2HZ   LYS  21          2HZ       LYS  21 -18.032 -20.761  -0.015
  152   3HZ   LYS  21          3HZ       LYS  21 -17.391 -22.311  -0.280
  153    H    GLY  22           H        GLY  22 -12.170 -22.741   5.986
  154   1HA   GLY  22          1HA       GLY  22 -10.338 -24.058   6.771
  155   2HA   GLY  22          2HA       GLY  22 -10.860 -25.366   5.713
  156    H    ASP  23           H        ASP  23  -8.173 -24.396   5.933
  157    HA   ASP  23           HA       ASP  23  -7.619 -22.758   3.555
  158   1HB   ASP  23          1HB       ASP  23  -6.423 -22.998   5.926
  159   2HB   ASP  23          2HB       ASP  23  -5.547 -24.278   5.090
  160    H    LYS  24           H        LYS  24  -8.925 -24.744   2.450
  161    HA   LYS  24           HA       LYS  24  -7.872 -27.264   1.942
  162   1HB   LYS  24          1HB       LYS  24  -9.819 -25.581   0.910
  163   2HB   LYS  24          2HB       LYS  24  -8.764 -25.863  -0.476
  164   1HG   LYS  24          1HG       LYS  24  -8.886 -28.373   0.322
  165   2HG   LYS  24          2HG       LYS  24 -10.364 -27.838   1.122
  166   1HD   LYS  24          1HD       LYS  24  -9.964 -27.035  -1.727
  167   2HD   LYS  24          2HD       LYS  24 -10.381 -28.718  -1.403
  168   1HE   LYS  24          1HE       LYS  24 -12.170 -27.461   0.224
  169   2HE   LYS  24          2HE       LYS  24 -12.036 -26.276  -1.090
  170   1HZ   LYS  24          1HZ       LYS  24 -12.310 -28.119  -2.675
  171   2HZ   LYS  24          2HZ       LYS  24 -12.551 -29.193  -1.382
  172   3HZ   LYS  24          3HZ       LYS  24 -13.668 -27.950  -1.667
  173    H    PHE  25           H        PHE  25  -6.611 -24.177   0.842
  174    HA   PHE  25           HA       PHE  25  -4.818 -25.339  -1.163
  175   1HB   PHE  25          1HB       PHE  25  -5.707 -22.738  -0.186
  176   2HB   PHE  25          2HB       PHE  25  -3.968 -22.761  -0.478
  177    HD1  PHE  25           HD1      PHE  25  -7.045 -24.182  -2.106
  178    HD2  PHE  25           HD2      PHE  25  -3.320 -22.102  -2.610
  179    HE1  PHE  25           HE1      PHE  25  -7.453 -24.041  -4.549
  180    HE2  PHE  25           HE2      PHE  25  -3.728 -21.962  -5.052
  181    HZ   PHE  25           HZ       PHE  25  -5.794 -22.931  -6.021
  182    H    ALA  26           H        ALA  26  -4.690 -24.569   2.257
  183    HA   ALA  26           HA       ALA  26  -1.735 -24.925   2.321
  184   1HB   ALA  26          3HB       ALA  26  -1.944 -24.024   4.561
  185   2HB   ALA  26          2HB       ALA  26  -3.689 -24.271   4.545
  186   3HB   ALA  26          1HB       ALA  26  -2.964 -23.051   3.500
  187    H    GLY  27           H        GLY  27  -4.735 -26.501   3.307
  188   1HA   GLY  27          1HA       GLY  27  -4.450 -29.046   3.340
  189   2HA   GLY  27          2HA       GLY  27  -3.110 -28.741   4.441
  190    H    ILE  28           H        ILE  28  -5.506 -26.474   5.087
  191    HA   ILE  28           HA       ILE  28  -6.381 -28.050   7.453
  192    HB   ILE  28           HB       ILE  28  -6.534 -25.121   6.678
  193   1HG1  ILE  28          1HG1      ILE  28  -5.048 -25.779   9.073
  194   2HG1  ILE  28          2HG1      ILE  28  -4.438 -26.706   7.702
  195   1HG2  ILE  28          1HG2      ILE  28  -8.409 -25.988   8.190
  196   2HG2  ILE  28          2HG2      ILE  28  -7.154 -26.331   9.381
  197   3HG2  ILE  28          3HG2      ILE  28  -7.434 -24.674   8.847
  198   1HD1  ILE  28          1HD1      ILE  28  -5.022 -23.866   7.123
  199   2HD1  ILE  28          2HD1      ILE  28  -3.697 -24.135   8.255
  200   3HD1  ILE  28          3HD1      ILE  28  -3.641 -24.851   6.643
  201    HA   PRO  29           HA       PRO  29 -10.277 -28.633   5.335
  202   1HB   PRO  29          1HB       PRO  29 -11.595 -29.877   7.385
  203   2HB   PRO  29          2HB       PRO  29 -10.404 -30.699   6.360
  204   1HG   PRO  29          2HG       PRO  29  -9.411 -31.056   8.396
  205   2HG   PRO  29          1HG       PRO  29 -10.117 -29.599   9.108
  206   1HD   PRO  29          1HD       PRO  29  -8.057 -28.692   8.765
  207   2HD   PRO  29          2HD       PRO  29  -7.619 -29.919   7.559
  208    HA   PRO  30           HA       PRO  30 -12.921 -25.418   6.784
  209   1HB   PRO  30          1HB       PRO  30 -15.440 -26.461   6.607
  210   2HB   PRO  30          2HB       PRO  30 -14.483 -26.011   5.184
  211   1HG   PRO  30          1HG       PRO  30 -14.925 -28.693   6.409
  212   2HG   PRO  30          2HG       PRO  30 -14.898 -28.230   4.701
  213   1HD   PRO  30          1HD       PRO  30 -12.800 -29.428   5.943
  214   2HD   PRO  30          2HD       PRO  30 -12.597 -28.290   4.594
  215    H    GLY  31           H        GLY  31 -15.264 -25.446   8.249
  216   1HA   GLY  31          1HA       GLY  31 -15.944 -25.443  10.504
  217   2HA   GLY  31          2HA       GLY  31 -15.510 -27.151  10.455
  218    H    THR  32           H        THR  32 -13.346 -24.347  10.093
  219    HA   THR  32           HA       THR  32 -12.157 -24.921  12.760
  220    HB   THR  32           HB       THR  32 -10.697 -25.010  10.102
  221    HG1  THR  32           HG1      THR  32 -11.612 -26.941  10.360
  222   1HG2  THR  32          1HG2      THR  32  -9.798 -24.719  12.903
  223   2HG2  THR  32          2HG2      THR  32  -8.959 -25.960  11.973
  224   3HG2  THR  32          3HG2      THR  32  -8.973 -24.290  11.404
  225    HA   PRO  33           HA       PRO  33 -12.154 -20.442  12.221
  226   1HB   PRO  33          1HB       PRO  33 -11.528 -19.845  14.817
  227   2HB   PRO  33          2HB       PRO  33 -13.169 -20.260  14.286
  228   1HG   PRO  33          2HG       PRO  33 -12.873 -21.887  15.889
  229   2HG   PRO  33          1HG       PRO  33 -11.123 -21.952  15.641
  230   1HD   PRO  33          1HD       PRO  33 -11.624 -23.835  14.443
  231   2HD   PRO  33          2HD       PRO  33 -13.297 -23.317  14.148
  232    H    PHE  34           H        PHE  34 -10.446 -18.880  12.105
  233    HA   PHE  34           HA       PHE  34  -7.836 -19.782  11.537
  234   1HB   PHE  34          1HB       PHE  34  -8.654 -17.645  10.792
  235   2HB   PHE  34          2HB       PHE  34  -8.978 -17.124  12.436
  236    HD1  PHE  34           HD1      PHE  34  -7.045 -16.755  14.022
  237    HD2  PHE  34           HD2      PHE  34  -6.499 -17.377   9.808
  238    HE1  PHE  34           HE1      PHE  34  -4.759 -15.812  14.181
  239    HE2  PHE  34           HE2      PHE  34  -4.212 -16.434   9.965
  240    HZ   PHE  34           HZ       PHE  34  -3.343 -15.649  12.153
  241    H    VAL  35           H        VAL  35  -9.265 -18.787  14.609
  242    HA   VAL  35           HA       VAL  35  -6.863 -18.524  16.136
  243    HB   VAL  35           HB       VAL  35  -8.426 -18.766  18.029
  244   1HG1  VAL  35          1HG1      VAL  35  -8.891 -17.054  15.697
  245   2HG1  VAL  35          2HG1      VAL  35 -10.337 -17.272  16.683
  246   3HG1  VAL  35          3HG1      VAL  35  -8.863 -16.632  17.409
  247   1HG2  VAL  35          1HG2      VAL  35  -9.772 -20.476  16.196
  248   2HG2  VAL  35          2HG2      VAL  35 -10.203 -20.138  17.872
  249   3HG2  VAL  35          3HG2      VAL  35 -10.871 -19.149  16.573
  250    H    ASP  36           H        ASP  36  -8.345 -21.321  14.780
  251    HA   ASP  36           HA       ASP  36  -7.049 -23.124  16.769
  252   1HB   ASP  36          1HB       ASP  36  -9.505 -23.229  15.972
  253   2HB   ASP  36          2HB       ASP  36  -8.853 -23.872  14.465
  254    H    LEU  37           H        LEU  37  -6.103 -21.620  13.975
  255    HA   LEU  37           HA       LEU  37  -5.136 -23.656  12.260
  256   1HB   LEU  37          1HB       LEU  37  -4.234 -20.870  12.998
  257   2HB   LEU  37          2HB       LEU  37  -3.340 -21.815  11.808
  258    HG   LEU  37           HG       LEU  37  -6.289 -21.104  11.671
  259   1HD1  LEU  37          1HD1      LEU  37  -4.404 -19.357  11.172
  260   2HD1  LEU  37          2HD1      LEU  37  -4.156 -20.304   9.705
  261   3HD1  LEU  37          3HD1      LEU  37  -5.719 -19.547  10.012
  262   1HD2  LEU  37          1HD2      LEU  37  -4.698 -23.168  10.370
  263   2HD2  LEU  37          2HD2      LEU  37  -6.442 -22.908  10.320
  264   3HD2  LEU  37          3HD2      LEU  37  -5.390 -22.051   9.193
  265    H    SER  38           H        SER  38  -2.568 -23.931  12.032
  266    HA   SER  38           HA       SER  38  -1.682 -25.431  14.334
  267   1HB   SER  38          1HB       SER  38   0.068 -24.405  12.100
  268   2HB   SER  38          2HB       SER  38   0.149 -25.957  12.934
  269    HG   SER  38           HG       SER  38  -1.561 -26.672  11.827
  270    H    ASP  39           H        ASP  39   0.421 -24.960  15.475
  271    HA   ASP  39           HA       ASP  39   0.423 -22.369  16.696
  272   1HB   ASP  39          1HB       ASP  39   1.361 -24.743  17.378
  273   2HB   ASP  39          2HB       ASP  39   2.833 -24.162  16.601
  274    H    SER  40           H        SER  40   1.895 -23.560  13.774
  275    HA   SER  40           HA       SER  40   3.211 -20.901  13.406
  276   1HB   SER  40          1HB       SER  40   4.368 -23.659  13.405
  277   2HB   SER  40          2HB       SER  40   5.028 -22.491  12.260
  278    HG   SER  40           HG       SER  40   5.195 -21.055  14.138
  279    H    PHE  41           H        PHE  41   0.808 -21.336  12.222
  280    HA   PHE  41           HA       PHE  41   0.927 -22.694   9.669
  281   1HB   PHE  41          1HB       PHE  41  -1.199 -22.390  10.665
  282   2HB   PHE  41          2HB       PHE  41  -0.889 -20.707  11.044
  283    HD1  PHE  41           HD1      PHE  41  -1.742 -23.090   8.337
  284    HD2  PHE  41           HD2      PHE  41  -1.203 -18.960   9.402
  285    HE1  PHE  41           HE1      PHE  41  -2.819 -22.401   6.214
  286    HE2  PHE  41           HE2      PHE  41  -2.282 -18.274   7.276
  287    HZ   PHE  41           HZ       PHE  41  -3.090 -19.994   5.683
  288    H    MET  42           H        MET  42   1.444 -21.841   7.642
  289    HA   MET  42           HA       MET  42   2.490 -19.029   7.606
  290   1HB   MET  42          2HB       MET  42   4.113 -19.804   6.000
  291   2HB   MET  42          1HB       MET  42   3.270 -21.337   5.800
  292   1HG   MET  42          1HG       MET  42   4.123 -20.652   8.567
  293   2HG   MET  42          2HG       MET  42   4.132 -22.211   7.743
  294   1HE   MET  42          1HE       MET  42   5.721 -23.308   7.049
  295   2HE   MET  42          2HE       MET  42   7.394 -22.897   6.678
  296   3HE   MET  42          3HE       MET  42   6.862 -22.966   8.357
  297    H    CYS  43           H        CYS  43   1.800 -17.706   5.892
  298    HA   CYS  43           HA       CYS  43  -0.732 -18.179   4.698
  299   1HB   CYS  43          1HB       CYS  43   0.602 -16.024   5.084
  300   2HB   CYS  43          2HB       CYS  43   1.473 -16.429   3.605
  301    HA   PRO  44           HA       PRO  44   0.600 -20.878   1.400
  302   1HB   PRO  44          1HB       PRO  44  -1.777 -20.992   0.055
  303   2HB   PRO  44          2HB       PRO  44  -1.470 -21.899   1.547
  304   1HG   PRO  44          2HG       PRO  44  -3.311 -20.716   2.239
  305   2HG   PRO  44          1HG       PRO  44  -2.986 -19.374   1.135
  306   1HD   PRO  44          1HD       PRO  44  -2.170 -18.327   2.984
  307   2HD   PRO  44          2HD       PRO  44  -1.964 -19.854   3.867
  308    H    ALA  45           H        ALA  45  -0.405 -17.614   1.151
  309    HA   ALA  45           HA       ALA  45   0.142 -17.530  -1.783
  310   1HB   ALA  45          3HB       ALA  45  -1.767 -16.312  -1.608
  311   2HB   ALA  45          2HB       ALA  45  -0.735 -15.035  -0.965
  312   3HB   ALA  45          1HB       ALA  45  -1.578 -16.126   0.136
  313    H    CYS  46           H        CYS  46   1.097 -16.024   1.309
  314    HA   CYS  46           HA       CYS  46   3.521 -15.001  -0.115
  315   1HB   CYS  46          1HB       CYS  46   3.270 -12.944   0.945
  316   2HB   CYS  46          2HB       CYS  46   1.595 -13.422   0.713
  317    H    ARG  47           H        ARG  47   2.620 -17.336   1.973
  318    HA   ARG  47           HA       ARG  47   3.789 -18.655   3.537
  319   1HB   ARG  47          1HB       ARG  47   5.647 -17.406   1.681
  320   2HB   ARG  47          2HB       ARG  47   6.419 -17.755   3.228
  321   1HG   ARG  47          1HG       ARG  47   5.752 -20.077   3.107
  322   2HG   ARG  47          2HG       ARG  47   4.762 -19.766   1.681
  323   1HD   ARG  47          1HD       ARG  47   7.437 -18.813   1.184
  324   2HD   ARG  47          2HD       ARG  47   7.504 -20.500   1.731
  325    HE   ARG  47           HE       ARG  47   5.895 -21.059  -0.068
  326   1HH1  ARG  47          1HH1      ARG  47   4.429 -19.664  -1.514
  327   2HH1  ARG  47          2HH1      ARG  47   5.314 -18.593  -2.547
  328   1HH2  ARG  47          1HH2      ARG  47   8.280 -18.913  -0.777
  329   2HH2  ARG  47          2HH2      ARG  47   7.496 -18.165  -2.128
  330    H    SER  48           H        SER  48   3.071 -15.642   4.268
  331    HA   SER  48           HA       SER  48   5.080 -14.896   6.228
  332   1HB   SER  48          1HB       SER  48   2.256 -14.100   5.548
  333   2HB   SER  48          2HB       SER  48   3.028 -13.459   6.996
  334    HG   SER  48           HG       SER  48   3.302 -12.205   5.015
  335    HA   PRO  49           HA       PRO  49   3.831 -17.385   9.627
  336   1HB   PRO  49          1HB       PRO  49   4.019 -15.661  11.748
  337   2HB   PRO  49          2HB       PRO  49   5.435 -16.340  10.924
  338   1HG   PRO  49          2HG       PRO  49   5.880 -14.092  10.661
  339   2HG   PRO  49          1HG       PRO  49   4.166 -13.657  10.624
  340   1HD   PRO  49          1HD       PRO  49   4.525 -13.554   8.361
  341   2HD   PRO  49          2HD       PRO  49   5.911 -14.663   8.434
  342    H    LYS  50           H        LYS  50   1.912 -17.935  10.717
  343    HA   LYS  50           HA       LYS  50  -0.554 -16.827  10.000
  344   1HB   LYS  50          1HB       LYS  50  -0.034 -19.024  11.138
  345   2HB   LYS  50          2HB       LYS  50   0.160 -18.131  12.647
  346   1HG   LYS  50          1HG       LYS  50  -2.199 -17.201  12.182
  347   2HG   LYS  50          2HG       LYS  50  -2.341 -18.495  10.994
  348   1HD   LYS  50          1HD       LYS  50  -2.426 -20.134  12.599
  349   2HD   LYS  50          2HD       LYS  50  -1.332 -19.273  13.681
  350   1HE   LYS  50          1HE       LYS  50  -3.308 -17.585  13.961
  351   2HE   LYS  50          2HE       LYS  50  -4.306 -18.906  13.324
  352   1HZ   LYS  50          1HZ       LYS  50  -3.163 -20.370  14.983
  353   2HZ   LYS  50          2HZ       LYS  50  -2.493 -18.976  15.679
  354   3HZ   LYS  50          3HZ       LYS  50  -4.178 -19.194  15.671
  355    H    ASN  51           H        ASN  51   1.700 -15.676  12.419
  356    HA   ASN  51           HA       ASN  51  -0.138 -14.069  13.941
  357   1HB   ASN  51          1HB       ASN  51   2.831 -14.103  13.407
  358   2HB   ASN  51          2HB       ASN  51   2.117 -12.830  14.397
  359   2HD2  ASN  51          2HD2      ASN  51   2.984 -13.571  16.431
  360   1HD2  ASN  51          1HD2      ASN  51   2.520 -15.044  17.136
  361    H    GLN  52           H        GLN  52   1.064 -13.757  10.737
  362    HA   GLN  52           HA       GLN  52   0.840 -10.826  10.620
  363   1HB   GLN  52          1HB       GLN  52   1.983 -12.972   9.125
  364   2HB   GLN  52          2HB       GLN  52   0.856 -12.133   8.061
  365   1HG   GLN  52          1HG       GLN  52   3.090 -10.847   9.664
  366   2HG   GLN  52          2HG       GLN  52   3.085 -11.105   7.920
  367   2HE2  GLN  52          2HE2      GLN  52   0.293 -10.377   7.471
  368   1HE2  GLN  52          1HE2      GLN  52   0.156  -8.710   7.752
  369    H    PHE  53           H        PHE  53  -1.377 -13.395  10.645
  370    HA   PHE  53           HA       PHE  53  -3.256 -12.254   8.682
  371   1HB   PHE  53          1HB       PHE  53  -3.097 -14.593  10.551
  372   2HB   PHE  53          2HB       PHE  53  -4.673 -14.129   9.914
  373    HD1  PHE  53           HD1      PHE  53  -1.152 -14.689   8.743
  374    HD2  PHE  53           HD2      PHE  53  -5.343 -15.006   7.861
  375    HE1  PHE  53           HE1      PHE  53  -0.615 -15.819   6.602
  376    HE2  PHE  53           HE2      PHE  53  -4.807 -16.136   5.720
  377    HZ   PHE  53           HZ       PHE  53  -2.442 -16.542   5.089
  378    H    LYS  54           H        LYS  54  -5.251 -11.250   9.246
  379    HA   LYS  54           HA       LYS  54  -5.691 -10.598  12.125
  380   1HB   LYS  54          1HB       LYS  54  -4.315  -8.854  10.842
  381   2HB   LYS  54          2HB       LYS  54  -5.772  -8.546   9.897
  382   1HG   LYS  54          1HG       LYS  54  -6.533  -8.565  12.642
  383   2HG   LYS  54          2HG       LYS  54  -5.095  -7.553  12.504
  384   1HD   LYS  54          1HD       LYS  54  -6.166  -6.289  10.668
  385   2HD   LYS  54          2HD       LYS  54  -7.607  -7.295  10.821
  386   1HE   LYS  54          1HE       LYS  54  -8.346  -6.115  12.625
  387   2HE   LYS  54          2HE       LYS  54  -6.741  -6.126  13.381
  388   1HZ   LYS  54          1HZ       LYS  54  -6.046  -4.463  11.711
  389   2HZ   LYS  54          2HZ       LYS  54  -7.642  -4.386  11.139
  390   3HZ   LYS  54          3HZ       LYS  54  -7.282  -3.886  12.722
  391    H    SER  55           H        SER  55  -7.857 -10.759  12.627
  392    HA   SER  55           HA       SER  55  -9.776 -11.740  10.765
  393   1HB   SER  55          1HB       SER  55 -11.361 -10.995  12.661
  394   2HB   SER  55          2HB       SER  55 -10.095 -12.138  13.072
  395    HG   SER  55           HG       SER  55 -10.248 -10.361  14.539
  396    H    ILE  56           H        ILE  56 -11.920 -10.564  10.413
  397    HA   ILE  56           HA       ILE  56 -11.810  -7.635  10.192
  398    HB   ILE  56           HB       ILE  56 -10.502  -8.356   8.250
  399   1HG1  ILE  56          1HG1      ILE  56 -13.126  -7.761   6.972
  400   2HG1  ILE  56          2HG1      ILE  56 -12.545  -6.606   8.171
  401   1HG2  ILE  56          1HG2      ILE  56 -12.499 -10.453   8.212
  402   2HG2  ILE  56          2HG2      ILE  56 -12.401  -9.670   6.634
  403   3HG2  ILE  56          3HG2      ILE  56 -10.957 -10.375   7.359
  404   1HD1  ILE  56          1HD1      ILE  56 -10.312  -6.654   6.912
  405   2HD1  ILE  56          2HD1      ILE  56 -11.178  -7.489   5.622
  406   3HD1  ILE  56          3HD1      ILE  56 -11.653  -5.857   6.090
  407    H    LYS  57           H        LYS  57 -13.708  -8.221  11.622
  408    HA   LYS  57           HA       LYS  57 -16.056  -9.302  10.144
  409   1HB   LYS  57          1HB       LYS  57 -15.412  -8.756  13.056
  410   2HB   LYS  57          2HB       LYS  57 -16.999  -9.302  12.513
  411   1HG   LYS  57          1HG       LYS  57 -16.277 -11.428  12.210
  412   2HG   LYS  57          2HG       LYS  57 -14.798 -10.896  11.410
  413   1HD   LYS  57          1HD       LYS  57 -13.636 -11.333  13.287
  414   2HD   LYS  57          2HD       LYS  57 -14.610 -10.149  14.158
  415   1HE   LYS  57          1HE       LYS  57 -16.354 -12.259  14.036
  416   2HE   LYS  57          2HE       LYS  57 -14.798 -13.101  14.162
  417   1HZ   LYS  57          1HZ       LYS  57 -14.220 -11.565  15.990
  418   2HZ   LYS  57          2HZ       LYS  57 -15.782 -10.908  15.917
  419   3HZ   LYS  57          3HZ       LYS  57 -15.565 -12.533  16.362
  420    H    LYS  58           H        LYS  58 -15.776  -7.031   8.988
  421    HA   LYS  58           HA       LYS  58 -17.621  -5.128  10.381
  422   1HB   LYS  58          1HB       LYS  58 -14.852  -4.825   9.975
  423   2HB   LYS  58          2HB       LYS  58 -15.611  -3.810   8.748
  424   1HG   LYS  58          1HG       LYS  58 -16.365  -2.329  10.289
  425   2HG   LYS  58          2HG       LYS  58 -16.902  -3.610  11.377
  426   1HD   LYS  58          1HD       LYS  58 -15.169  -2.669  12.618
  427   2HD   LYS  58          2HD       LYS  58 -14.312  -3.951  11.761
  428   1HE   LYS  58          1HE       LYS  58 -13.316  -2.443  10.249
  429   2HE   LYS  58          2HE       LYS  58 -14.539  -1.193  10.548
  430   1HZ   LYS  58          1HZ       LYS  58 -12.754  -2.227  12.680
  431   2HZ   LYS  58          2HZ       LYS  58 -12.328  -0.891  11.721
  432   3HZ   LYS  58          3HZ       LYS  58 -13.707  -0.821  12.706
  433    H    VAL  59           H        VAL  59 -18.898  -3.852   8.896
  434    HA   VAL  59           HA       VAL  59 -18.818  -4.805   6.049
  435    HB   VAL  59           HB       VAL  59 -21.177  -4.172   7.853
  436   1HG1  VAL  59          1HG1      VAL  59 -20.895  -4.633   4.921
  437   2HG1  VAL  59          2HG1      VAL  59 -22.266  -5.397   5.726
  438   3HG1  VAL  59          3HG1      VAL  59 -22.066  -3.646   5.795
  439   1HG2  VAL  59          1HG2      VAL  59 -19.711  -6.634   7.127
  440   2HG2  VAL  59          2HG2      VAL  59 -20.729  -6.303   8.528
  441   3HG2  VAL  59          3HG2      VAL  59 -21.465  -6.750   6.989
  442    H    ILE  60           H        ILE  60 -18.141  -3.060   4.849
  443    HA   ILE  60           HA       ILE  60 -19.314  -0.378   5.512
  444    HB   ILE  60           HB       ILE  60 -16.537  -1.152   4.562
  445   1HG1  ILE  60          1HG1      ILE  60 -16.371   0.421   6.846
  446   2HG1  ILE  60          2HG1      ILE  60 -17.768  -0.608   7.162
  447   1HG2  ILE  60          1HG2      ILE  60 -17.923   1.196   3.968
  448   2HG2  ILE  60          2HG2      ILE  60 -16.952   1.622   5.376
  449   3HG2  ILE  60          3HG2      ILE  60 -16.173   0.988   3.926
  450   1HD1  ILE  60          1HD1      ILE  60 -16.349  -2.586   6.478
  451   2HD1  ILE  60          2HD1      ILE  60 -14.963  -1.497   6.433
  452   3HD1  ILE  60          3HD1      ILE  60 -15.812  -1.782   7.952
  453    H    ALA  61           H        ALA  61 -20.612   0.286   3.862
  454    HA   ALA  61           HA       ALA  61 -19.769   0.333   1.105
  455   1HB   ALA  61          2HB       ALA  61 -22.062  -1.472   1.195
  456   2HB   ALA  61          3HB       ALA  61 -20.521  -1.673   0.362
  457   3HB   ALA  61          1HB       ALA  61 -20.675  -2.139   2.056
  458    H    GLY  62           H        GLY  62 -20.900   2.055   0.268
  459   1HA   GLY  62          1HA       GLY  62 -23.738   2.358   0.476
  460   2HA   GLY  62          2HA       GLY  62 -22.961   3.404   1.664
  461    H    PHE  63           H        PHE  63 -23.820   3.064  -1.629
  462    HA   PHE  63           HA       PHE  63 -22.169   5.470  -2.333
  463   1HB   PHE  63          1HB       PHE  63 -22.273   4.564  -4.640
  464   2HB   PHE  63          2HB       PHE  63 -21.570   3.394  -3.524
  465    HD1  PHE  63           HD1      PHE  63 -24.570   4.280  -5.487
  466    HD2  PHE  63           HD2      PHE  63 -22.750   1.362  -2.915
  467    HE1  PHE  63           HE1      PHE  63 -26.334   2.646  -6.093
  468    HE2  PHE  63           HE2      PHE  63 -24.514  -0.272  -3.520
  469    HZ   PHE  63           HZ       PHE  63 -26.307   0.370  -5.109
  470    H    ALA  64           H        ALA  64 -25.365   3.999  -2.345
  471    HA   ALA  64           HA       ALA  64 -26.511   6.643  -3.131
  472   1HB   ALA  64          2HB       ALA  64 -27.264   3.944  -4.301
  473   2HB   ALA  64          1HB       ALA  64 -26.290   5.163  -5.123
  474   3HB   ALA  64          3HB       ALA  64 -27.978   5.497  -4.736
  475    H    GLU  65           H        GLU  65 -28.512   7.067  -2.134
  476    HA   GLU  65           HA       GLU  65 -29.900   4.921  -0.639
  477   1HB   GLU  65          1HB       GLU  65 -28.024   6.859   0.491
  478   2HB   GLU  65          2HB       GLU  65 -29.606   6.938   1.265
  479   1HG   GLU  65          1HG       GLU  65 -29.441   4.809   2.125
  480   2HG   GLU  65          2HG       GLU  65 -28.472   4.225   0.773
  481    H    ASN  66           H        ASN  66 -31.504   5.680  -2.336
  482    HA   ASN  66           HA       ASN  66 -32.633   8.386  -1.931
  483   1HB   ASN  66          1HB       ASN  66 -32.764   6.165  -3.903
  484   2HB   ASN  66          2HB       ASN  66 -34.213   7.162  -3.765
  485   2HD2  ASN  66          2HD2      ASN  66 -32.120   7.049  -5.978
  486   1HD2  ASN  66          1HD2      ASN  66 -31.582   8.650  -6.145
  487    H    GLN  67           H        GLN  67 -32.997   7.033   0.421
  488    HA   GLN  67           HA       GLN  67 -35.932   6.747   0.525
  489   1HB   GLN  67          2HB       GLN  67 -35.069   4.523  -0.168
  490   2HB   GLN  67          1HB       GLN  67 -35.798   4.459   1.436
  491   1HG   GLN  67          1HG       GLN  67 -32.829   4.770   0.895
  492   2HG   GLN  67          2HG       GLN  67 -33.588   4.608   2.478
  493   2HE2  GLN  67          2HE2      GLN  67 -33.058   2.524   3.193
  494   1HE2  GLN  67          1HE2      GLN  67 -33.235   1.112   2.267
  495    H    LYS  68           H        LYS  68 -36.418   5.969   2.989
  496    HA   LYS  68           HA       LYS  68 -34.507   7.386   4.811
  497   1HB   LYS  68          1HB       LYS  68 -36.653   8.631   3.945
  498   2HB   LYS  68          2HB       LYS  68 -37.497   7.594   5.096
  499   1HG   LYS  68          1HG       LYS  68 -36.755   8.799   6.858
  500   2HG   LYS  68          2HG       LYS  68 -35.098   8.785   6.256
  501   1HD   LYS  68          1HD       LYS  68 -36.352  10.482   4.480
  502   2HD   LYS  68          2HD       LYS  68 -37.167  10.858   5.998
  503   1HE   LYS  68          1HE       LYS  68 -35.354  12.028   6.685
  504   2HE   LYS  68          2HE       LYS  68 -34.340  10.585   6.498
  505   1HZ   LYS  68          1HZ       LYS  68 -34.342  11.044   4.069
  506   2HZ   LYS  68          2HZ       LYS  68 -35.125  12.520   4.378
  507   3HZ   LYS  68          3HZ       LYS  68 -33.559  12.245   4.976
  508    H    TYR  69           H        TYR  69 -35.074   4.481   4.286
  509    HA   TYR  69           HA       TYR  69 -35.425   2.510   5.543
  510   1HB   TYR  69          1HB       TYR  69 -33.707   3.872   6.849
  511   2HB   TYR  69          2HB       TYR  69 -35.039   4.401   7.878
  512    HD1  TYR  69           HD1      TYR  69 -33.878   1.165   6.350
  513    HD2  TYR  69           HD2      TYR  69 -35.273   3.215   9.857
  514    HE1  TYR  69           HE1      TYR  69 -33.724  -0.945   7.645
  515    HE2  TYR  69           HE2      TYR  69 -35.119   1.107  11.152
  516    HH   TYR  69           HH       TYR  69 -34.231  -1.958   9.589
  517    H    GLY  70           H        GLY  70 -37.810   3.007   4.767
  518   1HA   GLY  70          1HA       GLY  70 -40.058   2.631   5.381
  519   2HA   GLY  70          2HA       GLY  70 -39.545   2.571   7.067

  No H/Q in entry =         519
  Start of MODEL    2
    1    H1   MET   1          1H        MET   1 -11.242  -7.923   4.058
    2    H2   MET   1          2H        MET   1 -10.443  -7.792   2.568
    3    H3   MET   1          3H        MET   1 -11.193  -6.429   3.250
    4    HA   MET   1           HA       MET   1 -12.628  -7.202   1.528
    5   1HB   MET   1          1HB       MET   1 -11.371  -9.470   1.717
    6   2HB   MET   1          2HB       MET   1 -12.607  -9.889   2.904
    7   1HG   MET   1          1HG       MET   1 -14.293  -9.100   1.079
    8   2HG   MET   1          2HG       MET   1 -12.937  -9.293  -0.032
    9   1HE   MET   1          1HE       MET   1 -14.651 -10.449  -1.088
   10   2HE   MET   1          2HE       MET   1 -13.969 -12.040  -1.416
   11   3HE   MET   1          3HE       MET   1 -15.508 -11.894  -0.556
   12    H    GLU   2           H        GLU   2 -14.777  -6.720   1.922
   13    HA   GLU   2           HA       GLU   2 -15.711  -6.152   4.559
   14   1HB   GLU   2          1HB       GLU   2 -17.908  -5.945   3.345
   15   2HB   GLU   2          2HB       GLU   2 -16.587  -5.087   2.552
   16   1HG   GLU   2          1HG       GLU   2 -16.669  -7.819   1.624
   17   2HG   GLU   2          2HG       GLU   2 -18.255  -7.076   1.426
   18    H    ILE   3           H        ILE   3 -15.560  -7.998   5.929
   19    HA   ILE   3           HA       ILE   3 -17.580 -10.127   5.373
   20    HB   ILE   3           HB       ILE   3 -14.754 -10.629   6.352
   21   1HG1  ILE   3          1HG1      ILE   3 -14.774  -9.782   4.002
   22   2HG1  ILE   3          2HG1      ILE   3 -14.251 -11.462   4.106
   23   1HG2  ILE   3          1HG2      ILE   3 -17.162 -12.295   5.800
   24   2HG2  ILE   3          2HG2      ILE   3 -15.594 -12.975   5.362
   25   3HG2  ILE   3          3HG2      ILE   3 -15.913 -12.496   7.029
   26   1HD1  ILE   3          1HD1      ILE   3 -17.155 -11.196   3.816
   27   2HD1  ILE   3          2HD1      ILE   3 -16.265 -10.505   2.459
   28   3HD1  ILE   3          3HD1      ILE   3 -16.024 -12.194   2.904
   29    H    ASP   4           H        ASP   4 -18.049 -11.375   7.430
   30    HA   ASP   4           HA       ASP   4 -17.406  -9.812   9.900
   31   1HB   ASP   4          1HB       ASP   4 -19.558  -9.072   8.992
   32   2HB   ASP   4          2HB       ASP   4 -20.116 -10.743   8.929
   33    H    GLU   5           H        GLU   5 -17.229 -12.771   8.461
   34    HA   GLU   5           HA       GLU   5 -18.115 -14.393  10.768
   35   1HB   GLU   5          1HB       GLU   5 -17.993 -14.723   8.027
   36   2HB   GLU   5          2HB       GLU   5 -16.592 -15.642   8.578
   37   1HG   GLU   5          1HG       GLU   5 -17.943 -17.308   9.251
   38   2HG   GLU   5          2HG       GLU   5 -18.775 -16.199  10.342
   39    H    GLY   6           H        GLY   6 -15.932 -16.358  10.275
   40   1HA   GLY   6          1HA       GLY   6 -13.878 -15.046  11.957
   41   2HA   GLY   6          2HA       GLY   6 -14.025 -16.779  11.683
   42    H    LYS   7           H        LYS   7 -14.147 -14.427   9.066
   43    HA   LYS   7           HA       LYS   7 -11.927 -15.770   7.714
   44   1HB   LYS   7          1HB       LYS   7 -14.090 -13.881   7.159
   45   2HB   LYS   7          2HB       LYS   7 -12.593 -13.431   6.344
   46   1HG   LYS   7          2HG       LYS   7 -12.752 -16.199   6.003
   47   2HG   LYS   7          1HG       LYS   7 -13.108 -14.979   4.782
   48   1HD   LYS   7          1HD       LYS   7 -14.921 -16.793   6.100
   49   2HD   LYS   7          2HD       LYS   7 -15.392 -15.131   6.456
   50   1HE   LYS   7          1HE       LYS   7 -15.075 -14.714   3.905
   51   2HE   LYS   7          2HE       LYS   7 -15.151 -16.481   3.763
   52   1HZ   LYS   7          1HZ       LYS   7 -17.128 -14.874   5.293
   53   2HZ   LYS   7          2HZ       LYS   7 -17.359 -15.313   3.668
   54   3HZ   LYS   7          3HZ       LYS   7 -17.239 -16.512   4.867
   55    H    TYR   8           H        TYR   8  -9.802 -15.123   7.798
   56    HA   TYR   8           HA       TYR   8  -9.208 -12.504   9.134
   57   1HB   TYR   8          1HB       TYR   8  -7.868 -15.193   8.954
   58   2HB   TYR   8          2HB       TYR   8  -6.900 -13.765   9.318
   59    HD1  TYR   8           HD1      TYR   8 -10.300 -15.019  10.303
   60    HD2  TYR   8           HD2      TYR   8  -6.499 -13.477  11.592
   61    HE1  TYR   8           HE1      TYR   8 -11.065 -15.116  12.659
   62    HE2  TYR   8           HE2      TYR   8  -7.267 -13.578  13.952
   63    HH   TYR   8           HH       TYR   8  -9.204 -15.158  15.191
   64    H    GLU   9           H        GLU   9  -7.883 -11.020   8.049
   65    HA   GLU   9           HA       GLU   9  -7.252 -11.687   5.206
   66   1HB   GLU   9          1HB       GLU   9  -8.755  -9.803   5.589
   67   2HB   GLU   9          2HB       GLU   9  -7.608  -9.078   6.715
   68   1HG   GLU   9          1HG       GLU   9  -6.320  -8.238   5.043
   69   2HG   GLU   9          2HG       GLU   9  -6.459  -9.707   4.077
   70    H    CYS  10           H        CYS  10  -5.116 -11.863   4.628
   71    HA   CYS  10           HA       CYS  10  -2.993 -11.660   6.588
   72   1HB   CYS  10          1HB       CYS  10  -3.266 -13.089   4.424
   73   2HB   CYS  10          2HB       CYS  10  -2.674 -11.659   3.600
   74    H    GLU  11           H        GLU  11  -2.216  -9.688   7.283
   75    HA   GLU  11           HA       GLU  11  -2.581  -7.226   5.789
   76   1HB   GLU  11          1HB       GLU  11  -1.696  -8.150   8.354
   77   2HB   GLU  11          2HB       GLU  11  -0.467  -7.065   7.707
   78   1HG   GLU  11          1HG       GLU  11  -2.634  -5.620   7.077
   79   2HG   GLU  11          2HG       GLU  11  -3.298  -6.490   8.458
   80    H    ALA  12           H        ALA  12  -0.365  -9.822   5.527
   81    HA   ALA  12           HA       ALA  12   1.912  -8.244   4.571
   82   1HB   ALA  12          1HB       ALA  12   1.530 -10.689   5.747
   83   2HB   ALA  12          3HB       ALA  12   3.010 -10.205   4.919
   84   3HB   ALA  12          2HB       ALA  12   1.788 -11.147   4.063
   85    H    CYS  13           H        CYS  13  -0.563 -10.394   3.065
   86    HA   CYS  13           HA       CYS  13   0.387  -9.316   0.435
   87   1HB   CYS  13          2HB       CYS  13   0.905 -11.733   1.044
   88   2HB   CYS  13          1HB       CYS  13   0.077 -11.499  -0.490
   89    H    GLY  14           H        GLY  14  -2.428 -10.254   2.364
   90   1HA   GLY  14          1HA       GLY  14  -4.463  -8.864   2.116
   91   2HA   GLY  14          2HA       GLY  14  -4.108  -8.758   0.392
   92    H    TYR  15           H        TYR  15  -3.664 -11.783   2.024
   93    HA   TYR  15           HA       TYR  15  -5.698 -13.054   0.328
   94   1HB   TYR  15          1HB       TYR  15  -3.573 -14.149   0.635
   95   2HB   TYR  15          2HB       TYR  15  -3.669 -13.977   2.386
   96    HD1  TYR  15           HD1      TYR  15  -4.907 -15.835  -0.547
   97    HD2  TYR  15           HD2      TYR  15  -5.115 -15.416   3.722
   98    HE1  TYR  15           HE1      TYR  15  -6.054 -18.029  -0.388
   99    HE2  TYR  15           HE2      TYR  15  -6.261 -17.608   3.884
  100    HH   TYR  15           HH       TYR  15  -6.844 -19.472   2.760
  101    H    ILE  16           H        ILE  16  -7.252 -14.633   1.466
  102    HA   ILE  16           HA       ILE  16  -8.180 -13.500   4.085
  103    HB   ILE  16           HB       ILE  16  -9.742 -14.284   1.606
  104   1HG1  ILE  16          1HG1      ILE  16  -8.615 -12.061   1.601
  105   2HG1  ILE  16          2HG1      ILE  16 -10.373 -11.926   1.572
  106   1HG2  ILE  16          1HG2      ILE  16 -10.749 -13.374   4.321
  107   2HG2  ILE  16          2HG2      ILE  16 -11.749 -13.616   2.889
  108   3HG2  ILE  16          3HG2      ILE  16 -10.941 -14.990   3.644
  109   1HD1  ILE  16          1HD1      ILE  16  -9.570 -12.045   4.304
  110   2HD1  ILE  16          2HD1      ILE  16  -8.535 -10.864   3.502
  111   3HD1  ILE  16          3HD1      ILE  16 -10.288 -10.681   3.445
  112    H    TYR  17           H        TYR  17  -8.029 -15.105   5.581
  113    HA   TYR  17           HA       TYR  17  -7.942 -17.931   4.804
  114   1HB   TYR  17          1HB       TYR  17  -6.524 -17.184   6.595
  115   2HB   TYR  17          2HB       TYR  17  -7.867 -16.390   7.414
  116    HD1  TYR  17           HD1      TYR  17  -6.670 -19.758   6.288
  117    HD2  TYR  17           HD2      TYR  17  -9.126 -17.551   9.042
  118    HE1  TYR  17           HE1      TYR  17  -7.170 -21.849   7.525
  119    HE2  TYR  17           HE2      TYR  17  -9.626 -19.644  10.264
  120    HH   TYR  17           HH       TYR  17  -9.008 -22.696   9.033
  121    H    GLU  18           H        GLU  18  -9.698 -19.267   4.720
  122    HA   GLU  18           HA       GLU  18 -12.307 -18.262   5.778
  123   1HB   GLU  18          1HB       GLU  18 -11.583 -20.425   3.774
  124   2HB   GLU  18          2HB       GLU  18 -13.225 -19.917   4.171
  125   1HG   GLU  18          1HG       GLU  18 -12.998 -17.875   3.094
  126   2HG   GLU  18          2HG       GLU  18 -11.251 -17.830   3.323
  127    HA   PRO  19           HA       PRO  19 -11.419 -21.394   8.913
  128   1HB   PRO  19          1HB       PRO  19 -13.533 -20.745  10.537
  129   2HB   PRO  19          2HB       PRO  19 -11.983 -19.891  10.549
  130   1HG   PRO  19          1HG       PRO  19 -14.558 -19.121   9.268
  131   2HG   PRO  19          2HG       PRO  19 -13.357 -18.115  10.085
  132   1HD   PRO  19          1HD       PRO  19 -13.581 -18.292   7.369
  133   2HD   PRO  19          2HD       PRO  19 -12.061 -17.916   8.206
  134    H    GLU  20           H        GLU  20 -14.928 -20.891   8.806
  135    HA   GLU  20           HA       GLU  20 -15.774 -23.522   8.962
  136   1HB   GLU  20          1HB       GLU  20 -17.808 -22.676   7.782
  137   2HB   GLU  20          2HB       GLU  20 -17.233 -21.562   9.023
  138   1HG   GLU  20          1HG       GLU  20 -17.281 -19.992   7.389
  139   2HG   GLU  20          2HG       GLU  20 -15.813 -20.762   6.791
  140    H    LYS  21           H        LYS  21 -14.388 -21.925   6.157
  141    HA   LYS  21           HA       LYS  21 -15.169 -24.100   4.326
  142   1HB   LYS  21          1HB       LYS  21 -14.725 -21.429   4.060
  143   2HB   LYS  21          2HB       LYS  21 -13.159 -22.063   3.552
  144   1HG   LYS  21          1HG       LYS  21 -14.524 -23.692   2.075
  145   2HG   LYS  21          2HG       LYS  21 -15.881 -22.602   2.361
  146   1HD   LYS  21          1HD       LYS  21 -14.631 -20.732   1.427
  147   2HD   LYS  21          2HD       LYS  21 -13.192 -21.736   1.257
  148   1HE   LYS  21          1HE       LYS  21 -14.142 -21.780  -0.916
  149   2HE   LYS  21          2HE       LYS  21 -14.751 -23.279  -0.189
  150   1HZ   LYS  21          1HZ       LYS  21 -16.149 -20.650  -0.126
  151   2HZ   LYS  21          2HZ       LYS  21 -16.543 -21.928  -1.175
  152   3HZ   LYS  21          3HZ       LYS  21 -16.740 -22.114   0.500
  153    H    GLY  22           H        GLY  22 -12.253 -22.948   5.992
  154   1HA   GLY  22          1HA       GLY  22 -10.447 -24.400   6.643
  155   2HA   GLY  22          2HA       GLY  22 -11.011 -25.585   5.465
  156    H    ASP  23           H        ASP  23  -8.311 -24.306   5.873
  157    HA   ASP  23           HA       ASP  23  -7.903 -22.661   3.471
  158   1HB   ASP  23          1HB       ASP  23  -6.739 -22.846   5.931
  159   2HB   ASP  23          2HB       ASP  23  -5.624 -23.813   4.973
  160    H    LYS  24           H        LYS  24  -8.900 -24.805   2.359
  161    HA   LYS  24           HA       LYS  24  -7.489 -27.176   1.956
  162   1HB   LYS  24          1HB       LYS  24  -9.585 -25.705   0.756
  163   2HB   LYS  24          2HB       LYS  24  -8.483 -26.131  -0.552
  164   1HG   LYS  24          1HG       LYS  24  -8.770 -28.400   1.185
  165   2HG   LYS  24          2HG       LYS  24 -10.375 -27.812   0.750
  166   1HD   LYS  24          1HD       LYS  24  -8.227 -28.151  -1.341
  167   2HD   LYS  24          2HD       LYS  24  -9.229 -29.514  -0.843
  168   1HE   LYS  24          1HE       LYS  24 -11.131 -28.640  -1.822
  169   2HE   LYS  24          2HE       LYS  24 -10.641 -26.963  -1.514
  170   1HZ   LYS  24          1HZ       LYS  24  -8.771 -27.407  -3.129
  171   2HZ   LYS  24          2HZ       LYS  24  -9.584 -28.832  -3.567
  172   3HZ   LYS  24          3HZ       LYS  24 -10.319 -27.320  -3.817
  173    H    PHE  25           H        PHE  25  -6.667 -23.965   0.801
  174    HA   PHE  25           HA       PHE  25  -4.735 -24.825  -1.197
  175   1HB   PHE  25          1HB       PHE  25  -5.820 -22.374  -0.008
  176   2HB   PHE  25          2HB       PHE  25  -4.102 -22.240  -0.381
  177    HD1  PHE  25           HD1      PHE  25  -3.658 -23.766  -2.747
  178    HD2  PHE  25           HD2      PHE  25  -7.100 -21.419  -1.703
  179    HE1  PHE  25           HE1      PHE  25  -4.204 -23.497  -5.151
  180    HE2  PHE  25           HE2      PHE  25  -7.647 -21.150  -4.107
  181    HZ   PHE  25           HZ       PHE  25  -6.199 -22.190  -5.831
  182    H    ALA  26           H        ALA  26  -4.700 -24.449   2.262
  183    HA   ALA  26           HA       ALA  26  -1.711 -24.552   2.309
  184   1HB   ALA  26          2HB       ALA  26  -2.044 -23.826   4.668
  185   2HB   ALA  26          1HB       ALA  26  -3.789 -23.897   4.422
  186   3HB   ALA  26          3HB       ALA  26  -2.820 -22.724   3.530
  187    H    GLY  27           H        GLY  27  -4.647 -26.208   3.369
  188   1HA   GLY  27          1HA       GLY  27  -4.332 -28.748   3.347
  189   2HA   GLY  27          2HA       GLY  27  -2.936 -28.445   4.378
  190    H    ILE  28           H        ILE  28  -6.000 -26.684   4.659
  191    HA   ILE  28           HA       ILE  28  -6.441 -28.096   7.269
  192    HB   ILE  28           HB       ILE  28  -6.562 -25.183   6.466
  193   1HG1  ILE  28          1HG1      ILE  28  -5.400 -25.870   9.039
  194   2HG1  ILE  28          2HG1      ILE  28  -4.658 -26.804   7.740
  195   1HG2  ILE  28          1HG2      ILE  28  -8.075 -26.609   8.604
  196   2HG2  ILE  28          2HG2      ILE  28  -7.312 -25.082   9.052
  197   3HG2  ILE  28          3HG2      ILE  28  -8.484 -25.129   7.734
  198   1HD1  ILE  28          1HD1      ILE  28  -4.652 -24.443   6.517
  199   2HD1  ILE  28          2HD1      ILE  28  -4.685 -23.843   8.174
  200   3HD1  ILE  28          3HD1      ILE  28  -3.366 -24.883   7.638
  201    HA   PRO  29           HA       PRO  29 -10.376 -28.925   5.325
  202   1HB   PRO  29          1HB       PRO  29 -11.594 -30.087   7.485
  203   2HB   PRO  29          2HB       PRO  29 -10.401 -30.929   6.479
  204   1HG   PRO  29          2HG       PRO  29  -9.359 -31.121   8.523
  205   2HG   PRO  29          1HG       PRO  29 -10.064 -29.618   9.134
  206   1HD   PRO  29          1HD       PRO  29  -8.003 -28.754   8.654
  207   2HD   PRO  29          2HD       PRO  29  -7.637 -30.033   7.478
  208    HA   PRO  30           HA       PRO  30 -13.076 -25.719   6.682
  209   1HB   PRO  30          1HB       PRO  30 -15.567 -26.833   6.602
  210   2HB   PRO  30          2HB       PRO  30 -14.648 -26.427   5.139
  211   1HG   PRO  30          2HG       PRO  30 -15.004 -28.674   4.763
  212   2HG   PRO  30          1HG       PRO  30 -15.007 -29.056   6.491
  213   1HD   PRO  30          1HD       PRO  30 -12.868 -29.763   6.057
  214   2HD   PRO  30          2HD       PRO  30 -12.707 -28.711   4.635
  215    H    GLY  31           H        GLY  31 -15.364 -25.707   8.195
  216   1HA   GLY  31          1HA       GLY  31 -16.006 -25.620  10.457
  217   2HA   GLY  31          2HA       GLY  31 -15.585 -27.332  10.457
  218    H    THR  32           H        THR  32 -13.167 -24.872   9.791
  219    HA   THR  32           HA       THR  32 -12.008 -25.349  12.519
  220    HB   THR  32           HB       THR  32 -10.388 -24.956  10.006
  221    HG1  THR  32           HG1      THR  32 -10.646 -26.993   9.487
  222   1HG2  THR  32          1HG2      THR  32  -9.692 -25.089  12.647
  223   2HG2  THR  32          2HG2      THR  32  -9.531 -26.777  12.162
  224   3HG2  THR  32          3HG2      THR  32  -8.622 -25.526  11.315
  225    HA   PRO  33           HA       PRO  33 -12.302 -20.845  12.222
  226   1HB   PRO  33          1HB       PRO  33 -11.732 -20.367  14.859
  227   2HB   PRO  33          2HB       PRO  33 -13.343 -20.837  14.285
  228   1HG   PRO  33          1HG       PRO  33 -11.217 -22.500  15.551
  229   2HG   PRO  33          2HG       PRO  33 -12.968 -22.533  15.801
  230   1HD   PRO  33          1HD       PRO  33 -11.646 -24.340  14.252
  231   2HD   PRO  33          2HD       PRO  33 -13.331 -23.859  13.960
  232    H    PHE  34           H        PHE  34 -10.679 -19.169  12.260
  233    HA   PHE  34           HA       PHE  34  -8.027 -19.913  11.632
  234   1HB   PHE  34          1HB       PHE  34  -8.880 -17.779  10.994
  235   2HB   PHE  34          2HB       PHE  34  -9.339 -17.378  12.638
  236    HD1  PHE  34           HD1      PHE  34  -6.548 -17.629  10.249
  237    HD2  PHE  34           HD2      PHE  34  -7.667 -16.653  14.281
  238    HE1  PHE  34           HE1      PHE  34  -4.344 -16.547  10.599
  239    HE2  PHE  34           HE2      PHE  34  -5.463 -15.570  14.630
  240    HZ   PHE  34           HZ       PHE  34  -3.801 -15.519  12.789
  241    H    VAL  35           H        VAL  35  -9.523 -19.335  14.766
  242    HA   VAL  35           HA       VAL  35  -7.135 -18.991  16.315
  243    HB   VAL  35           HB       VAL  35  -8.665 -19.606  18.175
  244   1HG1  VAL  35          1HG1      VAL  35  -9.833 -17.859  15.992
  245   2HG1  VAL  35          2HG1      VAL  35 -10.454 -17.914  17.640
  246   3HG1  VAL  35          3HG1      VAL  35  -8.815 -17.341  17.335
  247   1HG2  VAL  35          1HG2      VAL  35  -9.901 -21.135  16.128
  248   2HG2  VAL  35          2HG2      VAL  35 -10.370 -21.030  17.825
  249   3HG2  VAL  35          3HG2      VAL  35 -11.077 -19.926  16.645
  250    H    ASP  36           H        ASP  36  -8.563 -21.787  14.822
  251    HA   ASP  36           HA       ASP  36  -7.115 -23.701  16.551
  252   1HB   ASP  36          1HB       ASP  36  -9.186 -23.730  14.402
  253   2HB   ASP  36          2HB       ASP  36  -8.219 -25.191  14.608
  254    H    LEU  37           H        LEU  37  -6.469 -21.894  13.703
  255    HA   LEU  37           HA       LEU  37  -4.993 -23.633  12.063
  256   1HB   LEU  37          1HB       LEU  37  -4.729 -20.725  12.832
  257   2HB   LEU  37          2HB       LEU  37  -3.641 -21.448  11.647
  258    HG   LEU  37           HG       LEU  37  -6.674 -21.387  11.485
  259   1HD1  LEU  37          1HD1      LEU  37  -5.018 -19.323  10.976
  260   2HD1  LEU  37          2HD1      LEU  37  -4.904 -20.161   9.428
  261   3HD1  LEU  37          3HD1      LEU  37  -6.474 -19.623  10.028
  262   1HD2  LEU  37          1HD2      LEU  37  -4.693 -23.077  10.219
  263   2HD2  LEU  37          2HD2      LEU  37  -6.450 -23.130  10.075
  264   3HD2  LEU  37          3HD2      LEU  37  -5.508 -22.083   9.012
  265    H    SER  38           H        SER  38  -2.667 -24.030  11.955
  266    HA   SER  38           HA       SER  38  -1.479 -24.861  14.415
  267   1HB   SER  38          1HB       SER  38  -1.090 -25.276  11.757
  268   2HB   SER  38          2HB       SER  38   0.254 -24.185  12.097
  269    HG   SER  38           HG       SER  38   0.493 -26.593  12.432
  270    H    ASP  39           H        ASP  39  -0.066 -23.795  15.806
  271    HA   ASP  39           HA       ASP  39  -0.028 -21.007  16.082
  272   1HB   ASP  39          1HB       ASP  39   0.684 -22.755  17.728
  273   2HB   ASP  39          2HB       ASP  39   2.164 -22.983  16.794
  274    H    SER  40           H        SER  40   1.869 -23.017  13.929
  275    HA   SER  40           HA       SER  40   3.499 -20.628  13.133
  276   1HB   SER  40          1HB       SER  40   4.145 -23.285  13.815
  277   2HB   SER  40          2HB       SER  40   4.357 -23.189  12.067
  278    HG   SER  40           HG       SER  40   6.215 -22.555  13.343
  279    H    PHE  41           H        PHE  41   0.687 -21.424  12.247
  280    HA   PHE  41           HA       PHE  41   0.655 -22.513   9.637
  281   1HB   PHE  41          1HB       PHE  41  -1.401 -22.200  10.745
  282   2HB   PHE  41          2HB       PHE  41  -1.028 -20.548  11.194
  283    HD1  PHE  41           HD1      PHE  41  -1.958 -22.756   8.345
  284    HD2  PHE  41           HD2      PHE  41  -1.543 -18.715   9.745
  285    HE1  PHE  41           HE1      PHE  41  -3.150 -21.933   6.332
  286    HE2  PHE  41           HE2      PHE  41  -2.735 -17.895   7.733
  287    HZ   PHE  41           HZ       PHE  41  -3.539 -19.504   6.026
  288    H    MET  42           H        MET  42   1.346 -21.715   7.680
  289    HA   MET  42           HA       MET  42   2.258 -18.857   7.591
  290   1HB   MET  42          1HB       MET  42   3.130 -21.134   5.790
  291   2HB   MET  42          2HB       MET  42   3.944 -19.596   6.057
  292   1HG   MET  42          1HG       MET  42   3.875 -20.540   8.603
  293   2HG   MET  42          2HG       MET  42   3.972 -22.058   7.712
  294   1HE   MET  42          1HE       MET  42   5.806 -21.166   9.738
  295   2HE   MET  42          2HE       MET  42   6.627 -22.464   8.873
  296   3HE   MET  42          3HE       MET  42   7.472 -20.946   9.207
  297    H    CYS  43           H        CYS  43   1.626 -17.614   5.765
  298    HA   CYS  43           HA       CYS  43  -0.913 -18.100   4.606
  299   1HB   CYS  43          1HB       CYS  43   0.555 -15.976   4.810
  300   2HB   CYS  43          2HB       CYS  43   1.306 -16.526   3.313
  301    HA   PRO  44           HA       PRO  44   0.346 -21.022   1.477
  302   1HB   PRO  44          1HB       PRO  44  -2.057 -21.224   0.191
  303   2HB   PRO  44          2HB       PRO  44  -1.720 -22.025   1.737
  304   1HG   PRO  44          1HG       PRO  44  -3.280 -19.567   1.171
  305   2HG   PRO  44          2HG       PRO  44  -3.526 -20.800   2.413
  306   1HD   PRO  44          1HD       PRO  44  -2.376 -18.308   2.826
  307   2HD   PRO  44          2HD       PRO  44  -2.202 -19.709   3.903
  308    H    ALA  45           H        ALA  45  -0.316 -17.763   1.093
  309    HA   ALA  45           HA       ALA  45   0.103 -17.896  -1.867
  310   1HB   ALA  45          3HB       ALA  45  -2.009 -16.950  -1.570
  311   2HB   ALA  45          1HB       ALA  45  -1.555 -16.180  -0.049
  312   3HB   ALA  45          2HB       ALA  45  -0.993 -15.508  -1.580
  313    H    CYS  46           H        CYS  46   0.988 -16.229   1.153
  314    HA   CYS  46           HA       CYS  46   3.326 -15.093  -0.330
  315   1HB   CYS  46          1HB       CYS  46   2.908 -12.998   0.555
  316   2HB   CYS  46          2HB       CYS  46   1.266 -13.617   0.457
  317    H    ARG  47           H        ARG  47   2.556 -17.342   1.923
  318    HA   ARG  47           HA       ARG  47   3.845 -18.502   3.526
  319   1HB   ARG  47          1HB       ARG  47   5.535 -17.463   1.573
  320   2HB   ARG  47          2HB       ARG  47   6.294 -16.966   3.086
  321   1HG   ARG  47          2HG       ARG  47   5.471 -19.619   3.514
  322   2HG   ARG  47          1HG       ARG  47   7.121 -19.053   3.264
  323   1HD   ARG  47          1HD       ARG  47   5.462 -19.383   0.809
  324   2HD   ARG  47          2HD       ARG  47   7.171 -19.778   1.081
  325    HE   ARG  47           HE       ARG  47   5.767 -21.528   2.741
  326   1HH1  ARG  47          1HH1      ARG  47   7.393 -22.145   0.157
  327   2HH1  ARG  47          2HH1      ARG  47   6.234 -23.101  -0.705
  328   1HH2  ARG  47          1HH2      ARG  47   3.569 -22.163   1.306
  329   2HH2  ARG  47          2HH2      ARG  47   4.070 -23.112  -0.055
  330    H    SER  48           H        SER  48   2.731 -15.582   4.085
  331    HA   SER  48           HA       SER  48   4.497 -14.484   6.097
  332   1HB   SER  48          1HB       SER  48   2.929 -13.008   5.131
  333   2HB   SER  48          2HB       SER  48   1.606 -14.163   5.298
  334    HG   SER  48           HG       SER  48   1.309 -13.556   7.292
  335    HA   PRO  49           HA       PRO  49   3.516 -17.162   9.452
  336   1HB   PRO  49          1HB       PRO  49   3.853 -15.466  11.575
  337   2HB   PRO  49          2HB       PRO  49   5.208 -16.130  10.642
  338   1HG   PRO  49          1HG       PRO  49   3.926 -13.443  10.485
  339   2HG   PRO  49          2HG       PRO  49   5.635 -13.883  10.371
  340   1HD   PRO  49          1HD       PRO  49   4.070 -13.303   8.207
  341   2HD   PRO  49          2HD       PRO  49   5.483 -14.376   8.136
  342    H    LYS  50           H        LYS  50   1.699 -17.717  10.720
  343    HA   LYS  50           HA       LYS  50  -0.820 -16.588  10.192
  344   1HB   LYS  50          1HB       LYS  50  -0.283 -18.818  11.215
  345   2HB   LYS  50          2HB       LYS  50   0.114 -17.988  12.720
  346   1HG   LYS  50          1HG       LYS  50  -2.199 -17.036  12.751
  347   2HG   LYS  50          2HG       LYS  50  -2.579 -18.001  11.324
  348   1HD   LYS  50          1HD       LYS  50  -2.517 -20.004  12.495
  349   2HD   LYS  50          2HD       LYS  50  -1.394 -19.381  13.705
  350   1HE   LYS  50          1HE       LYS  50  -4.151 -18.189  13.529
  351   2HE   LYS  50          2HE       LYS  50  -3.923 -19.737  14.364
  352   1HZ   LYS  50          1HZ       LYS  50  -2.111 -17.449  14.848
  353   2HZ   LYS  50          2HZ       LYS  50  -3.570 -17.592  15.705
  354   3HZ   LYS  50          3HZ       LYS  50  -2.387 -18.805  15.829
  355    H    ASN  51           H        ASN  51   1.553 -15.683  12.645
  356    HA   ASN  51           HA       ASN  51  -0.132 -14.017  14.246
  357   1HB   ASN  51          1HB       ASN  51   2.510 -14.852  14.171
  358   2HB   ASN  51          2HB       ASN  51   2.642 -13.123  13.849
  359   2HD2  ASN  51          2HD2      ASN  51   1.070 -11.780  15.429
  360   1HD2  ASN  51          1HD2      ASN  51   1.133 -12.251  17.058
  361    H    GLN  52           H        GLN  52   1.029 -13.645  11.020
  362    HA   GLN  52           HA       GLN  52   0.791 -10.697  11.047
  363   1HB   GLN  52          1HB       GLN  52   2.197 -12.685   9.609
  364   2HB   GLN  52          2HB       GLN  52   1.082 -11.953   8.457
  365   1HG   GLN  52          1HG       GLN  52   2.466 -10.036  10.227
  366   2HG   GLN  52          2HG       GLN  52   3.517 -10.896   9.102
  367   2HE2  GLN  52          2HE2      GLN  52   0.135  -9.689   8.790
  368   1HE2  GLN  52          1HE2      GLN  52   0.428  -8.797   7.382
  369    H    PHE  53           H        PHE  53  -1.420 -13.169  11.005
  370    HA   PHE  53           HA       PHE  53  -3.111 -12.078   8.824
  371   1HB   PHE  53          1HB       PHE  53  -3.181 -14.436  10.707
  372   2HB   PHE  53          2HB       PHE  53  -4.599 -14.002   9.758
  373    HD1  PHE  53           HD1      PHE  53  -0.902 -14.490   9.302
  374    HD2  PHE  53           HD2      PHE  53  -4.840 -14.933   7.644
  375    HE1  PHE  53           HE1      PHE  53   0.059 -15.626   7.318
  376    HE2  PHE  53           HE2      PHE  53  -3.879 -16.069   5.661
  377    HZ   PHE  53           HZ       PHE  53  -1.429 -16.416   5.497
  378    H    LYS  54           H        LYS  54  -4.686 -10.581   9.243
  379    HA   LYS  54           HA       LYS  54  -5.442 -10.106  12.101
  380   1HB   LYS  54          1HB       LYS  54  -4.340  -8.382  10.386
  381   2HB   LYS  54          2HB       LYS  54  -6.015  -8.188   9.870
  382   1HG   LYS  54          1HG       LYS  54  -6.507  -6.972  11.703
  383   2HG   LYS  54          2HG       LYS  54  -5.824  -8.203  12.765
  384   1HD   LYS  54          1HD       LYS  54  -3.525  -7.232  11.897
  385   2HD   LYS  54          2HD       LYS  54  -4.499  -5.804  11.544
  386   1HE   LYS  54          1HE       LYS  54  -5.385  -6.269  14.037
  387   2HE   LYS  54          2HE       LYS  54  -3.774  -6.997  14.187
  388   1HZ   LYS  54          1HZ       LYS  54  -4.359  -4.291  13.088
  389   2HZ   LYS  54          2HZ       LYS  54  -3.718  -4.602  14.629
  390   3HZ   LYS  54          3HZ       LYS  54  -2.819  -4.987  13.241
  391    H    SER  55           H        SER  55  -7.584 -10.367  12.667
  392    HA   SER  55           HA       SER  55  -9.388 -11.737  10.897
  393   1HB   SER  55          1HB       SER  55 -10.961 -11.400  12.786
  394   2HB   SER  55          2HB       SER  55  -9.387 -11.951  13.335
  395    HG   SER  55           HG       SER  55 -10.653  -9.556  13.745
  396    H    ILE  56           H        ILE  56 -11.757 -10.763  10.865
  397    HA   ILE  56           HA       ILE  56 -11.900  -7.871  10.346
  398    HB   ILE  56           HB       ILE  56 -10.829  -8.771   8.315
  399   1HG1  ILE  56          1HG1      ILE  56 -12.507  -7.989   6.660
  400   2HG1  ILE  56          2HG1      ILE  56 -13.744  -8.033   7.916
  401   1HG2  ILE  56          1HG2      ILE  56 -12.656 -10.925   8.782
  402   2HG2  ILE  56          2HG2      ILE  56 -12.986 -10.256   7.184
  403   3HG2  ILE  56          3HG2      ILE  56 -11.367 -10.829   7.583
  404   1HD1  ILE  56          1HD1      ILE  56 -11.431  -6.579   8.858
  405   2HD1  ILE  56          2HD1      ILE  56 -11.985  -5.902   7.327
  406   3HD1  ILE  56          3HD1      ILE  56 -13.095  -6.019   8.693
  407    H    LYS  57           H        LYS  57 -13.601  -8.088  11.958
  408    HA   LYS  57           HA       LYS  57 -15.978  -9.703  11.171
  409   1HB   LYS  57          1HB       LYS  57 -16.628  -9.254  13.536
  410   2HB   LYS  57          2HB       LYS  57 -15.034  -9.997  13.415
  411   1HG   LYS  57          1HG       LYS  57 -13.950  -8.102  14.118
  412   2HG   LYS  57          2HG       LYS  57 -15.108  -7.027  13.335
  413   1HD   LYS  57          1HD       LYS  57 -16.009  -8.677  15.672
  414   2HD   LYS  57          2HD       LYS  57 -15.054  -7.225  15.970
  415   1HE   LYS  57          1HE       LYS  57 -16.684  -5.865  14.732
  416   2HE   LYS  57          2HE       LYS  57 -17.624  -7.318  14.343
  417   1HZ   LYS  57          1HZ       LYS  57 -17.758  -7.756  16.761
  418   2HZ   LYS  57          2HZ       LYS  57 -17.009  -6.261  17.055
  419   3HZ   LYS  57          3HZ       LYS  57 -18.535  -6.313  16.315
  420    H    LYS  58           H        LYS  58 -16.074  -7.770   9.424
  421    HA   LYS  58           HA       LYS  58 -18.325  -6.111  10.169
  422   1HB   LYS  58          1HB       LYS  58 -16.264  -5.121  11.359
  423   2HB   LYS  58          2HB       LYS  58 -15.718  -4.636   9.755
  424   1HG   LYS  58          1HG       LYS  58 -17.416  -3.085   9.497
  425   2HG   LYS  58          2HG       LYS  58 -18.526  -3.971  10.544
  426   1HD   LYS  58          1HD       LYS  58 -16.495  -3.329  12.284
  427   2HD   LYS  58          2HD       LYS  58 -16.535  -1.913  11.233
  428   1HE   LYS  58          1HE       LYS  58 -18.942  -1.634  11.658
  429   2HE   LYS  58          2HE       LYS  58 -18.947  -3.097  12.660
  430   1HZ   LYS  58          1HZ       LYS  58 -17.082  -1.996  13.939
  431   2HZ   LYS  58          2HZ       LYS  58 -17.484  -0.558  13.134
  432   3HZ   LYS  58          3HZ       LYS  58 -18.623  -1.310  14.146
  433    H    VAL  59           H        VAL  59 -19.077  -4.832   8.333
  434    HA   VAL  59           HA       VAL  59 -17.946  -5.786   5.739
  435    HB   VAL  59           HB       VAL  59 -20.191  -5.166   4.897
  436   1HG1  VAL  59          1HG1      VAL  59 -20.012  -6.859   7.393
  437   2HG1  VAL  59          2HG1      VAL  59 -21.512  -6.715   6.477
  438   3HG1  VAL  59          3HG1      VAL  59 -20.074  -7.394   5.714
  439   1HG2  VAL  59          1HG2      VAL  59 -20.186  -3.499   7.176
  440   2HG2  VAL  59          2HG2      VAL  59 -21.493  -3.699   6.008
  441   3HG2  VAL  59          3HG2      VAL  59 -21.449  -4.698   7.461
  442    H    ILE  60           H        ILE  60 -18.415  -4.012   3.930
  443    HA   ILE  60           HA       ILE  60 -17.269  -1.430   4.935
  444    HB   ILE  60           HB       ILE  60 -17.138  -2.801   2.228
  445   1HG1  ILE  60          1HG1      ILE  60 -15.856  -3.953   4.006
  446   2HG1  ILE  60          2HG1      ILE  60 -14.783  -3.208   2.823
  447   1HG2  ILE  60          1HG2      ILE  60 -17.022  -0.338   2.073
  448   2HG2  ILE  60          2HG2      ILE  60 -15.732  -0.325   3.276
  449   3HG2  ILE  60          3HG2      ILE  60 -15.460  -1.070   1.700
  450   1HD1  ILE  60          1HD1      ILE  60 -15.262  -1.204   4.732
  451   2HD1  ILE  60          2HD1      ILE  60 -15.019  -2.678   5.669
  452   3HD1  ILE  60          3HD1      ILE  60 -13.779  -2.138   4.536
  453    H    ALA  61           H        ALA  61 -19.126  -2.504   2.060
  454    HA   ALA  61           HA       ALA  61 -20.587   0.064   2.041
  455   1HB   ALA  61          1HB       ALA  61 -20.268  -2.342   0.260
  456   2HB   ALA  61          2HB       ALA  61 -21.577  -1.199  -0.041
  457   3HB   ALA  61          3HB       ALA  61 -19.901  -0.652  -0.088
  458    H    GLY  62           H        GLY  62 -21.460  -0.902   4.316
  459   1HA   GLY  62          1HA       GLY  62 -23.847  -2.609   3.800
  460   2HA   GLY  62          2HA       GLY  62 -23.143  -2.303   5.388
  461    H    PHE  63           H        PHE  63 -25.604  -1.390   3.256
  462    HA   PHE  63           HA       PHE  63 -25.906   1.352   4.323
  463   1HB   PHE  63          1HB       PHE  63 -27.277  -0.400   2.285
  464   2HB   PHE  63          2HB       PHE  63 -27.997   1.129   2.788
  465    HD1  PHE  63           HD1      PHE  63 -26.719   3.269   2.485
  466    HD2  PHE  63           HD2      PHE  63 -25.361  -0.464   0.853
  467    HE1  PHE  63           HE1      PHE  63 -25.180   4.492   0.973
  468    HE2  PHE  63           HE2      PHE  63 -23.822   0.758  -0.660
  469    HZ   PHE  63           HZ       PHE  63 -23.732   3.236  -0.600
  470    H    ALA  64           H        ALA  64 -26.073  -0.057   6.542
  471    HA   ALA  64           HA       ALA  64 -28.740  -1.159   7.061
  472   1HB   ALA  64          1HB       ALA  64 -26.168  -0.686   8.526
  473   2HB   ALA  64          3HB       ALA  64 -27.070  -2.187   8.314
  474   3HB   ALA  64          2HB       ALA  64 -27.626  -0.981   9.474
  475    H    GLU  65           H        GLU  65 -27.204   1.959   7.259
  476    HA   GLU  65           HA       GLU  65 -29.279   3.020   9.104
  477   1HB   GLU  65          1HB       GLU  65 -26.610   3.444   8.856
  478   2HB   GLU  65          2HB       GLU  65 -27.220   4.758   7.849
  479   1HG   GLU  65          2HG       GLU  65 -28.868   5.106   9.904
  480   2HG   GLU  65          1HG       GLU  65 -27.245   5.793   9.923
  481    H    ASN  66           H        ASN  66 -28.215   3.242   5.731
  482    HA   ASN  66           HA       ASN  66 -30.197   5.339   5.104
  483   1HB   ASN  66          1HB       ASN  66 -27.727   4.622   4.155
  484   2HB   ASN  66          2HB       ASN  66 -28.785   3.892   2.948
  485   2HD2  ASN  66          2HD2      ASN  66 -27.163   6.729   3.616
  486   1HD2  ASN  66          1HD2      ASN  66 -28.144   7.818   2.759
  487    H    GLN  67           H        GLN  67 -32.284   4.795   4.621
  488    HA   GLN  67           HA       GLN  67 -32.876   1.996   3.758
  489   1HB   GLN  67          1HB       GLN  67 -34.385   4.243   5.087
  490   2HB   GLN  67          2HB       GLN  67 -35.255   2.894   4.353
  491   1HG   GLN  67          1HG       GLN  67 -33.881   1.321   5.729
  492   2HG   GLN  67          2HG       GLN  67 -33.141   2.711   6.521
  493   2HE2  GLN  67          2HE2      GLN  67 -34.081   2.869   8.565
  494   1HE2  GLN  67          1HE2      GLN  67 -35.747   2.764   8.878
  495    H    LYS  68           H        LYS  68 -31.858   3.086   1.606
  496    HA   LYS  68           HA       LYS  68 -34.075   4.377   0.061
  497   1HB   LYS  68          1HB       LYS  68 -31.829   5.517   0.367
  498   2HB   LYS  68          2HB       LYS  68 -31.115   4.209  -0.574
  499   1HG   LYS  68          1HG       LYS  68 -32.243   4.835  -2.536
  500   2HG   LYS  68          2HG       LYS  68 -33.476   5.735  -1.653
  501   1HD   LYS  68          1HD       LYS  68 -32.080   7.574  -1.313
  502   2HD   LYS  68          2HD       LYS  68 -30.610   6.614  -1.478
  503   1HE   LYS  68          1HE       LYS  68 -32.438   6.845  -3.852
  504   2HE   LYS  68          2HE       LYS  68 -31.365   8.202  -3.460
  505   1HZ   LYS  68          1HZ       LYS  68 -29.555   6.498  -3.236
  506   2HZ   LYS  68          2HZ       LYS  68 -30.617   5.362  -3.920
  507   3HZ   LYS  68          3HZ       LYS  68 -30.124   6.718  -4.818
  508    H    TYR  69           H        TYR  69 -31.570   1.835  -0.117
  509    HA   TYR  69           HA       TYR  69 -32.522   0.787  -2.664
  510   1HB   TYR  69          1HB       TYR  69 -30.259   0.608  -1.078
  511   2HB   TYR  69          2HB       TYR  69 -30.987  -0.988  -0.893
  512    HD1  TYR  69           HD1      TYR  69 -30.186   1.539  -3.548
  513    HD2  TYR  69           HD2      TYR  69 -30.585  -2.614  -2.525
  514    HE1  TYR  69           HE1      TYR  69 -29.372   0.906  -5.803
  515    HE2  TYR  69           HE2      TYR  69 -29.772  -3.247  -4.782
  516    HH   TYR  69           HH       TYR  69 -29.474  -0.975  -7.332
  517    H    GLY  70           H        GLY  70 -34.569  -0.105  -2.698
  518   1HA   GLY  70          1HA       GLY  70 -35.208  -2.563  -1.548
  519   2HA   GLY  70          2HA       GLY  70 -35.776  -1.364  -0.387

  No H/Q in entry =         519
  Start of MODEL    3
    1    H1   MET   1          1H        MET   1 -13.165  -6.845   1.530
    2    H2   MET   1          2H        MET   1 -12.992  -5.159   1.403
    3    H3   MET   1          3H        MET   1 -11.616  -6.147   1.498
    4    HA   MET   1           HA       MET   1 -12.170  -6.782   3.762
    5   1HB   MET   1          1HB       MET   1 -11.926  -3.933   2.846
    6   2HB   MET   1          2HB       MET   1 -12.089  -4.257   4.572
    7   1HG   MET   1          1HG       MET   1 -10.005  -5.163   4.724
    8   2HG   MET   1          2HG       MET   1 -10.146  -5.986   3.171
    9   1HE   MET   1          1HE       MET   1  -7.788  -5.167   4.118
   10   2HE   MET   1          2HE       MET   1  -6.941  -4.147   2.958
   11   3HE   MET   1          3HE       MET   1  -7.518  -3.466   4.485
   12    H    GLU   2           H        GLU   2 -14.633  -7.467   3.039
   13    HA   GLU   2           HA       GLU   2 -16.400  -5.833   4.807
   14   1HB   GLU   2          1HB       GLU   2 -18.143  -5.957   3.011
   15   2HB   GLU   2          2HB       GLU   2 -16.719  -5.041   2.518
   16   1HG   GLU   2          1HG       GLU   2 -16.283  -6.491   0.846
   17   2HG   GLU   2          2HG       GLU   2 -16.382  -7.866   1.945
   18    H    ILE   3           H        ILE   3 -15.615  -8.032   5.954
   19    HA   ILE   3           HA       ILE   3 -17.741 -10.077   5.400
   20    HB   ILE   3           HB       ILE   3 -14.881 -10.540   6.303
   21   1HG1  ILE   3          1HG1      ILE   3 -15.086 -11.709   3.853
   22   2HG1  ILE   3          2HG1      ILE   3 -16.139 -10.312   3.628
   23   1HG2  ILE   3          1HG2      ILE   3 -17.268 -12.273   5.831
   24   2HG2  ILE   3          2HG2      ILE   3 -15.684 -12.911   5.391
   25   3HG2  ILE   3          3HG2      ILE   3 -16.004 -12.415   7.052
   26   1HD1  ILE   3          1HD1      ILE   3 -14.144  -9.018   4.783
   27   2HD1  ILE   3          2HD1      ILE   3 -13.200 -10.397   4.222
   28   3HD1  ILE   3          3HD1      ILE   3 -14.075  -9.397   3.063
   29    H    ASP   4           H        ASP   4 -18.097 -11.467   7.449
   30    HA   ASP   4           HA       ASP   4 -17.526  -9.925   9.945
   31   1HB   ASP   4          1HB       ASP   4 -19.672  -9.191   9.076
   32   2HB   ASP   4          2HB       ASP   4 -20.199 -10.861   8.898
   33    H    GLU   5           H        GLU   5 -17.298 -12.875   8.462
   34    HA   GLU   5           HA       GLU   5 -18.130 -14.516  10.784
   35   1HB   GLU   5          2HB       GLU   5 -17.567 -16.365   9.253
   36   2HB   GLU   5          1HB       GLU   5 -16.843 -15.222   8.121
   37   1HG   GLU   5          1HG       GLU   5 -19.191 -14.057   8.218
   38   2HG   GLU   5          2HG       GLU   5 -18.991 -15.505   7.233
   39    H    GLY   6           H        GLY   6 -15.897 -16.452  10.194
   40   1HA   GLY   6          1HA       GLY   6 -13.855 -15.107  11.868
   41   2HA   GLY   6          2HA       GLY   6 -13.956 -16.841  11.569
   42    H    LYS   7           H        LYS   7 -14.140 -14.383   9.043
   43    HA   LYS   7           HA       LYS   7 -11.958 -15.667   7.574
   44   1HB   LYS   7          1HB       LYS   7 -14.227 -14.193   6.996
   45   2HB   LYS   7          2HB       LYS   7 -12.932 -13.035   6.695
   46   1HG   LYS   7          1HG       LYS   7 -13.182 -14.158   4.628
   47   2HG   LYS   7          2HG       LYS   7 -11.794 -14.948   5.376
   48   1HD   LYS   7          1HD       LYS   7 -13.185 -16.719   4.586
   49   2HD   LYS   7          2HD       LYS   7 -13.462 -16.645   6.325
   50   1HE   LYS   7          1HE       LYS   7 -15.368 -14.904   5.496
   51   2HE   LYS   7          2HE       LYS   7 -15.307 -15.980   4.088
   52   1HZ   LYS   7          1HZ       LYS   7 -15.318 -17.047   6.848
   53   2HZ   LYS   7          2HZ       LYS   7 -16.774 -16.679   6.052
   54   3HZ   LYS   7          3HZ       LYS   7 -15.720 -17.845   5.407
   55    H    TYR   8           H        TYR   8  -9.831 -14.985   7.558
   56    HA   TYR   8           HA       TYR   8  -9.201 -12.411   8.981
   57   1HB   TYR   8          1HB       TYR   8  -7.961 -15.151   8.909
   58   2HB   TYR   8          2HB       TYR   8  -6.933 -13.758   9.240
   59    HD1  TYR   8           HD1      TYR   8 -10.352 -14.964  10.237
   60    HD2  TYR   8           HD2      TYR   8  -6.606 -13.273  11.493
   61    HE1  TYR   8           HE1      TYR   8 -11.151 -14.944  12.582
   62    HE2  TYR   8           HE2      TYR   8  -7.404 -13.262  13.841
   63    HH   TYR   8           HH       TYR   8  -9.708 -13.194  14.999
   64    H    GLU   9           H        GLU   9  -7.975 -10.936   7.810
   65    HA   GLU   9           HA       GLU   9  -7.192 -11.729   5.044
   66   1HB   GLU   9          1HB       GLU   9  -7.123  -9.237   4.737
   67   2HB   GLU   9          2HB       GLU   9  -8.692  -9.825   5.285
   68   1HG   GLU   9          1HG       GLU   9  -8.552  -8.645   7.205
   69   2HG   GLU   9          2HG       GLU   9  -6.924  -9.238   7.527
   70    H    CYS  10           H        CYS  10  -5.054 -11.765   4.435
   71    HA   CYS  10           HA       CYS  10  -2.974 -11.577   6.473
   72   1HB   CYS  10          1HB       CYS  10  -3.217 -13.084   4.346
   73   2HB   CYS  10          2HB       CYS  10  -2.564 -11.692   3.500
   74    H    GLU  11           H        GLU  11  -2.264  -9.554   7.122
   75    HA   GLU  11           HA       GLU  11  -2.538  -7.178   5.473
   76   1HB   GLU  11          1HB       GLU  11  -1.792  -7.961   8.134
   77   2HB   GLU  11          2HB       GLU  11  -0.552  -6.883   7.495
   78   1HG   GLU  11          1HG       GLU  11  -2.700  -5.516   6.674
   79   2HG   GLU  11          2HG       GLU  11  -3.437  -6.338   8.050
   80    H    ALA  12           H        ALA  12  -0.337  -9.782   5.463
   81    HA   ALA  12           HA       ALA  12   2.016  -8.272   4.581
   82   1HB   ALA  12          1HB       ALA  12   1.227 -11.048   5.268
   83   2HB   ALA  12          2HB       ALA  12   2.550 -10.891   4.112
   84   3HB   ALA  12          3HB       ALA  12   2.680 -10.149   5.707
   85    H    CYS  13           H        CYS  13  -0.441 -10.401   3.021
   86    HA   CYS  13           HA       CYS  13   0.677  -9.457   0.407
   87   1HB   CYS  13          2HB       CYS  13   1.144 -11.854   1.140
   88   2HB   CYS  13          1HB       CYS  13   0.421 -11.666  -0.452
   89    H    GLY  14           H        GLY  14  -2.255 -10.391   2.171
   90   1HA   GLY  14          1HA       GLY  14  -4.252  -8.943   1.751
   91   2HA   GLY  14          2HA       GLY  14  -3.820  -8.979   0.043
   92    H    TYR  15           H        TYR  15  -3.470 -11.884   1.890
   93    HA   TYR  15           HA       TYR  15  -5.459 -13.250   0.219
   94   1HB   TYR  15          1HB       TYR  15  -3.346 -14.323   0.688
   95   2HB   TYR  15          2HB       TYR  15  -3.535 -14.059   2.420
   96    HD1  TYR  15           HD1      TYR  15  -4.756 -15.996  -0.493
   97    HD2  TYR  15           HD2      TYR  15  -4.933 -15.490   3.770
   98    HE1  TYR  15           HE1      TYR  15  -5.922 -18.173  -0.282
   99    HE2  TYR  15           HE2      TYR  15  -6.098 -17.669   3.980
  100    HH   TYR  15           HH       TYR  15  -6.067 -19.957   2.095
  101    H    ILE  16           H        ILE  16  -7.038 -14.774   1.412
  102    HA   ILE  16           HA       ILE  16  -8.077 -13.495   3.917
  103    HB   ILE  16           HB       ILE  16  -9.607 -14.445   1.477
  104   1HG1  ILE  16          1HG1      ILE  16  -8.314 -12.328   1.198
  105   2HG1  ILE  16          2HG1      ILE  16 -10.056 -12.090   1.078
  106   1HG2  ILE  16          1HG2      ILE  16 -10.401 -13.974   4.217
  107   2HG2  ILE  16          2HG2      ILE  16 -11.205 -12.828   3.145
  108   3HG2  ILE  16          3HG2      ILE  16 -11.374 -14.562   2.868
  109   1HD1  ILE  16          1HD1      ILE  16 -10.030 -11.470   3.538
  110   2HD1  ILE  16          2HD1      ILE  16  -8.269 -11.485   3.449
  111   3HD1  ILE  16          3HD1      ILE  16  -9.190 -10.333   2.484
  112    H    TYR  17           H        TYR  17  -7.926 -15.070   5.465
  113    HA   TYR  17           HA       TYR  17  -7.890 -17.915   4.796
  114   1HB   TYR  17          1HB       TYR  17  -6.541 -17.066   6.621
  115   2HB   TYR  17          2HB       TYR  17  -7.952 -16.335   7.386
  116    HD1  TYR  17           HD1      TYR  17  -6.655 -19.657   6.222
  117    HD2  TYR  17           HD2      TYR  17  -9.145 -17.543   9.017
  118    HE1  TYR  17           HE1      TYR  17  -7.119 -21.779   7.420
  119    HE2  TYR  17           HE2      TYR  17  -9.607 -19.668  10.212
  120    HH   TYR  17           HH       TYR  17  -9.101 -22.631   8.950
  121    H    GLU  18           H        GLU  18  -9.600 -19.325   4.895
  122    HA   GLU  18           HA       GLU  18 -12.241 -18.242   5.812
  123   1HB   GLU  18          1HB       GLU  18 -11.555 -20.387   3.775
  124   2HB   GLU  18          2HB       GLU  18 -13.176 -19.791   4.133
  125   1HG   GLU  18          1HG       GLU  18 -12.876 -17.908   2.899
  126   2HG   GLU  18          2HG       GLU  18 -11.241 -17.663   3.510
  127    HA   PRO  19           HA       PRO  19 -11.427 -21.475   8.867
  128   1HB   PRO  19          1HB       PRO  19 -13.527 -20.815  10.506
  129   2HB   PRO  19          2HB       PRO  19 -11.959 -19.999  10.539
  130   1HG   PRO  19          1HG       PRO  19 -14.513 -19.134   9.284
  131   2HG   PRO  19          2HG       PRO  19 -13.285 -18.179  10.117
  132   1HD   PRO  19          1HD       PRO  19 -13.524 -18.291   7.399
  133   2HD   PRO  19          2HD       PRO  19 -11.996 -17.960   8.240
  134    H    GLU  20           H        GLU  20 -14.908 -20.821   8.627
  135    HA   GLU  20           HA       GLU  20 -15.916 -23.386   8.804
  136   1HB   GLU  20          1HB       GLU  20 -16.825 -20.855   8.176
  137   2HB   GLU  20          2HB       GLU  20 -17.196 -21.767   6.713
  138   1HG   GLU  20          1HG       GLU  20 -18.688 -23.159   7.796
  139   2HG   GLU  20          2HG       GLU  20 -17.844 -23.036   9.339
  140    H    LYS  21           H        LYS  21 -14.272 -21.976   6.032
  141    HA   LYS  21           HA       LYS  21 -14.961 -24.325   4.337
  142   1HB   LYS  21          1HB       LYS  21 -15.092 -21.884   3.598
  143   2HB   LYS  21          2HB       LYS  21 -13.329 -21.861   3.664
  144   1HG   LYS  21          1HG       LYS  21 -13.252 -22.795   1.618
  145   2HG   LYS  21          2HG       LYS  21 -14.106 -24.207   2.239
  146   1HD   LYS  21          2HD       LYS  21 -16.266 -22.955   1.905
  147   2HD   LYS  21          1HD       LYS  21 -15.401 -23.292   0.405
  148   1HE   LYS  21          1HE       LYS  21 -15.520 -20.664   1.917
  149   2HE   LYS  21          2HE       LYS  21 -14.369 -20.972   0.603
  150   1HZ   LYS  21          1HZ       LYS  21 -16.254 -21.632  -0.799
  151   2HZ   LYS  21          2HZ       LYS  21 -17.331 -21.239   0.455
  152   3HZ   LYS  21          3HZ       LYS  21 -16.401 -20.023  -0.284
  153    H    GLY  22           H        GLY  22 -12.323 -22.943   6.176
  154   1HA   GLY  22          1HA       GLY  22 -10.301 -24.005   6.798
  155   2HA   GLY  22          2HA       GLY  22 -10.740 -25.368   5.769
  156    H    ASP  23           H        ASP  23  -8.151 -24.014   5.900
  157    HA   ASP  23           HA       ASP  23  -7.913 -22.430   3.435
  158   1HB   ASP  23          1HB       ASP  23  -6.526 -22.752   5.861
  159   2HB   ASP  23          2HB       ASP  23  -5.441 -23.390   4.627
  160    H    LYS  24           H        LYS  24  -8.959 -24.625   2.481
  161    HA   LYS  24           HA       LYS  24  -7.615 -27.005   2.041
  162   1HB   LYS  24          1HB       LYS  24  -9.781 -25.637   1.010
  163   2HB   LYS  24          2HB       LYS  24  -8.736 -25.813  -0.399
  164   1HG   LYS  24          1HG       LYS  24  -8.566 -28.302   0.786
  165   2HG   LYS  24          2HG       LYS  24 -10.248 -27.856   1.074
  166   1HD   LYS  24          1HD       LYS  24 -10.483 -28.744  -1.040
  167   2HD   LYS  24          2HD       LYS  24 -10.066 -27.091  -1.492
  168   1HE   LYS  24          1HE       LYS  24  -8.639 -28.584  -2.776
  169   2HE   LYS  24          2HE       LYS  24  -7.624 -27.838  -1.526
  170   1HZ   LYS  24          1HZ       LYS  24  -9.104 -30.335  -0.973
  171   2HZ   LYS  24          2HZ       LYS  24  -7.605 -30.397  -1.770
  172   3HZ   LYS  24          3HZ       LYS  24  -7.714 -29.732  -0.210
  173    H    PHE  25           H        PHE  25  -6.778 -23.850   0.727
  174    HA   PHE  25           HA       PHE  25  -4.950 -24.849  -1.308
  175   1HB   PHE  25          1HB       PHE  25  -6.183 -22.459  -0.623
  176   2HB   PHE  25          2HB       PHE  25  -4.490 -22.156  -0.232
  177    HD1  PHE  25           HD1      PHE  25  -6.208 -24.157  -2.907
  178    HD2  PHE  25           HD2      PHE  25  -3.439 -21.009  -1.970
  179    HE1  PHE  25           HE1      PHE  25  -5.700 -23.886  -5.318
  180    HE2  PHE  25           HE2      PHE  25  -2.931 -20.739  -4.382
  181    HZ   PHE  25           HZ       PHE  25  -4.060 -22.178  -6.057
  182    H    ALA  26           H        ALA  26  -4.716 -24.034   2.105
  183    HA   ALA  26           HA       ALA  26  -1.749 -24.239   2.052
  184   1HB   ALA  26          3HB       ALA  26  -1.991 -22.725   3.709
  185   2HB   ALA  26          1HB       ALA  26  -3.743 -22.843   3.541
  186   3HB   ALA  26          2HB       ALA  26  -2.890 -23.902   4.666
  187    H    GLY  27           H        GLY  27  -4.613 -25.996   3.082
  188   1HA   GLY  27          1HA       GLY  27  -4.256 -28.499   3.163
  189   2HA   GLY  27          2HA       GLY  27  -2.830 -28.153   4.138
  190    H    ILE  28           H        ILE  28  -5.729 -26.252   4.617
  191    HA   ILE  28           HA       ILE  28  -6.115 -27.652   7.237
  192    HB   ILE  28           HB       ILE  28  -6.457 -24.792   6.302
  193   1HG1  ILE  28          1HG1      ILE  28  -4.978 -25.514   8.764
  194   2HG1  ILE  28          2HG1      ILE  28  -4.258 -26.068   7.252
  195   1HG2  ILE  28          1HG2      ILE  28  -7.460 -26.156   8.803
  196   2HG2  ILE  28          2HG2      ILE  28  -7.084 -24.433   8.791
  197   3HG2  ILE  28          3HG2      ILE  28  -8.333 -25.071   7.722
  198   1HD1  ILE  28          1HD1      ILE  28  -5.258 -23.262   7.309
  199   2HD1  ILE  28          2HD1      ILE  28  -3.805 -23.606   8.249
  200   3HD1  ILE  28          3HD1      ILE  28  -3.832 -23.932   6.517
  201    HA   PRO  29           HA       PRO  29 -10.065 -28.704   5.422
  202   1HB   PRO  29          1HB       PRO  29 -11.149 -29.905   7.627
  203   2HB   PRO  29          2HB       PRO  29  -9.947 -30.694   6.590
  204   1HG   PRO  29          1HG       PRO  29  -9.599 -29.353   9.227
  205   2HG   PRO  29          2HG       PRO  29  -8.828 -30.814   8.596
  206   1HD   PRO  29          1HD       PRO  29  -7.619 -28.358   8.683
  207   2HD   PRO  29          2HD       PRO  29  -7.193 -29.630   7.520
  208    HA   PRO  30           HA       PRO  30 -12.850 -25.597   6.851
  209   1HB   PRO  30          1HB       PRO  30 -15.299 -26.797   6.697
  210   2HB   PRO  30          2HB       PRO  30 -14.376 -26.308   5.264
  211   1HG   PRO  30          2HG       PRO  30 -14.635 -28.550   4.799
  212   2HG   PRO  30          1HG       PRO  30 -14.673 -28.995   6.512
  213   1HD   PRO  30          1HD       PRO  30 -12.503 -29.614   6.135
  214   2HD   PRO  30          2HD       PRO  30 -12.342 -28.541   4.729
  215    H    GLY  31           H        GLY  31 -15.180 -25.752   8.327
  216   1HA   GLY  31          1HA       GLY  31 -15.842 -25.755  10.589
  217   2HA   GLY  31          2HA       GLY  31 -15.341 -27.444  10.544
  218    H    THR  32           H        THR  32 -13.167 -24.698  10.053
  219    HA   THR  32           HA       THR  32 -11.970 -25.200  12.748
  220    HB   THR  32           HB       THR  32 -10.521 -25.067  10.086
  221    HG1  THR  32           HG1      THR  32 -11.183 -27.067  10.088
  222   1HG2  THR  32          1HG2      THR  32  -9.240 -24.159  12.008
  223   2HG2  THR  32          2HG2      THR  32  -9.496 -25.675  12.872
  224   3HG2  THR  32          3HG2      THR  32  -8.537 -25.655  11.392
  225    HA   PRO  33           HA       PRO  33 -12.243 -20.711  12.345
  226   1HB   PRO  33          1HB       PRO  33 -11.632 -20.158  14.955
  227   2HB   PRO  33          2HB       PRO  33 -13.249 -20.660  14.429
  228   1HG   PRO  33          2HG       PRO  33 -12.829 -22.311  15.980
  229   2HG   PRO  33          1HG       PRO  33 -11.082 -22.263  15.703
  230   1HD   PRO  33          1HD       PRO  33 -11.497 -24.138  14.457
  231   2HD   PRO  33          2HD       PRO  33 -13.198 -23.704  14.197
  232    H    PHE  34           H        PHE  34 -10.632 -19.093  12.180
  233    HA   PHE  34           HA       PHE  34  -7.985 -19.801  11.588
  234   1HB   PHE  34          1HB       PHE  34  -8.962 -17.698  10.929
  235   2HB   PHE  34          2HB       PHE  34  -9.262 -17.243  12.597
  236    HD1  PHE  34           HD1      PHE  34  -7.333 -16.735  14.119
  237    HD2  PHE  34           HD2      PHE  34  -6.825 -17.350   9.899
  238    HE1  PHE  34           HE1      PHE  34  -5.097 -15.668  14.233
  239    HE2  PHE  34           HE2      PHE  34  -4.588 -16.282  10.014
  240    HZ   PHE  34           HZ       PHE  34  -3.726 -15.441  12.181
  241    H    VAL  35           H        VAL  35  -9.445 -19.153  14.723
  242    HA   VAL  35           HA       VAL  35  -6.985 -18.772  16.194
  243    HB   VAL  35           HB       VAL  35  -8.502 -19.104  18.122
  244   1HG1  VAL  35          1HG1      VAL  35  -8.503 -16.960  16.809
  245   2HG1  VAL  35          2HG1      VAL  35  -9.878 -17.578  15.894
  246   3HG1  VAL  35          3HG1      VAL  35 -10.031 -17.287  17.627
  247   1HG2  VAL  35          1HG2      VAL  35  -9.942 -20.654  16.154
  248   2HG2  VAL  35          2HG2      VAL  35 -10.187 -20.581  17.899
  249   3HG2  VAL  35          3HG2      VAL  35 -10.998 -19.423  16.846
  250    H    ASP  36           H        ASP  36  -8.621 -21.581  14.959
  251    HA   ASP  36           HA       ASP  36  -7.239 -23.417  16.834
  252   1HB   ASP  36          1HB       ASP  36  -9.538 -23.411  15.022
  253   2HB   ASP  36          2HB       ASP  36  -8.582 -24.887  14.895
  254    H    LEU  37           H        LEU  37  -6.421 -21.852  13.970
  255    HA   LEU  37           HA       LEU  37  -5.289 -23.802  12.290
  256   1HB   LEU  37          1HB       LEU  37  -4.589 -20.972  13.058
  257   2HB   LEU  37          2HB       LEU  37  -3.603 -21.845  11.883
  258    HG   LEU  37           HG       LEU  37  -6.601 -21.415  11.686
  259   1HD1  LEU  37          1HD1      LEU  37  -4.295 -20.194  10.137
  260   2HD1  LEU  37          2HD1      LEU  37  -6.006 -19.937   9.794
  261   3HD1  LEU  37          3HD1      LEU  37  -5.311 -19.350  11.306
  262   1HD2  LEU  37          1HD2      LEU  37  -4.574 -22.891  10.015
  263   2HD2  LEU  37          2HD2      LEU  37  -6.160 -23.437  10.563
  264   3HD2  LEU  37          3HD2      LEU  37  -6.035 -22.234   9.280
  265    H    SER  38           H        SER  38  -2.694 -23.864  12.075
  266    HA   SER  38           HA       SER  38  -1.719 -25.308  14.397
  267   1HB   SER  38          1HB       SER  38  -1.204 -25.198  11.695
  268   2HB   SER  38          2HB       SER  38   0.207 -24.379  12.365
  269    HG   SER  38           HG       SER  38   0.515 -26.632  12.253
  270    H    ASP  39           H        ASP  39   0.157 -24.687  15.682
  271    HA   ASP  39           HA       ASP  39   0.138 -22.099  16.780
  272   1HB   ASP  39          1HB       ASP  39   1.159 -24.051  17.828
  273   2HB   ASP  39          2HB       ASP  39   2.354 -24.159  16.535
  274    H    SER  40           H        SER  40   1.741 -23.262  13.875
  275    HA   SER  40           HA       SER  40   2.743 -20.480  13.403
  276   1HB   SER  40          1HB       SER  40   4.239 -22.851  13.958
  277   2HB   SER  40          2HB       SER  40   4.527 -22.418  12.273
  278    HG   SER  40           HG       SER  40   5.858 -21.394  14.020
  279    H    PHE  41           H        PHE  41   0.443 -21.013  12.211
  280    HA   PHE  41           HA       PHE  41   0.595 -22.513   9.734
  281   1HB   PHE  41          1HB       PHE  41  -1.550 -22.243  10.648
  282   2HB   PHE  41          2HB       PHE  41  -1.270 -20.568  11.078
  283    HD1  PHE  41           HD1      PHE  41  -1.836 -22.859   8.187
  284    HD2  PHE  41           HD2      PHE  41  -1.858 -18.802   9.605
  285    HE1  PHE  41           HE1      PHE  41  -2.925 -22.129   6.082
  286    HE2  PHE  41           HE2      PHE  41  -2.949 -18.075   7.500
  287    HZ   PHE  41           HZ       PHE  41  -3.481 -19.737   5.739
  288    H    MET  42           H        MET  42   1.492 -21.827   7.814
  289    HA   MET  42           HA       MET  42   2.311 -18.963   7.602
  290   1HB   MET  42          1HB       MET  42   3.132 -21.358   5.929
  291   2HB   MET  42          2HB       MET  42   3.923 -19.785   5.984
  292   1HG   MET  42          1HG       MET  42   3.648 -21.600   8.397
  293   2HG   MET  42          2HG       MET  42   5.073 -21.566   7.358
  294   1HE   MET  42          1HE       MET  42   5.029 -21.453  10.085
  295   2HE   MET  42          2HE       MET  42   6.403 -20.368  10.285
  296   3HE   MET  42          3HE       MET  42   4.848 -19.949  11.001
  297    H    CYS  43           H        CYS  43   1.655 -17.730   5.804
  298    HA   CYS  43           HA       CYS  43  -0.892 -18.191   4.661
  299   1HB   CYS  43          1HB       CYS  43   0.585 -16.086   4.881
  300   2HB   CYS  43          2HB       CYS  43   1.344 -16.623   3.383
  301    HA   PRO  44           HA       PRO  44   0.217 -21.104   1.484
  302   1HB   PRO  44          1HB       PRO  44  -2.155 -21.100   0.128
  303   2HB   PRO  44          2HB       PRO  44  -1.935 -21.933   1.677
  304   1HG   PRO  44          2HG       PRO  44  -3.660 -20.563   2.296
  305   2HG   PRO  44          1HG       PRO  44  -3.255 -19.342   1.085
  306   1HD   PRO  44          1HD       PRO  44  -2.318 -18.196   2.804
  307   2HD   PRO  44          2HD       PRO  44  -2.289 -19.631   3.849
  308    H    ALA  45           H        ALA  45  -0.232 -17.793   1.107
  309    HA   ALA  45           HA       ALA  45   0.328 -17.951  -1.832
  310   1HB   ALA  45          3HB       ALA  45  -1.597 -16.761  -1.931
  311   2HB   ALA  45          2HB       ALA  45  -0.660 -15.416  -1.279
  312   3HB   ALA  45          1HB       ALA  45  -1.582 -16.457  -0.193
  313    H    CYS  46           H        CYS  46   1.113 -16.321   1.231
  314    HA   CYS  46           HA       CYS  46   3.544 -15.240  -0.140
  315   1HB   CYS  46          1HB       CYS  46   3.162 -13.152   0.786
  316   2HB   CYS  46          2HB       CYS  46   1.509 -13.712   0.585
  317    H    ARG  47           H        ARG  47   2.699 -17.566   1.934
  318    HA   ARG  47           HA       ARG  47   3.840 -18.758   3.620
  319   1HB   ARG  47          1HB       ARG  47   5.566 -17.924   1.655
  320   2HB   ARG  47          2HB       ARG  47   6.360 -17.320   3.108
  321   1HG   ARG  47          1HG       ARG  47   7.035 -19.400   3.644
  322   2HG   ARG  47          2HG       ARG  47   5.369 -19.979   3.599
  323   1HD   ARG  47          1HD       ARG  47   7.068 -19.609   1.109
  324   2HD   ARG  47          2HD       ARG  47   6.892 -21.156   1.958
  325    HE   ARG  47           HE       ARG  47   4.422 -19.692   1.158
  326   1HH1  ARG  47          1HH1      ARG  47   4.215 -22.464   2.144
  327   2HH1  ARG  47          2HH1      ARG  47   4.162 -23.394   0.684
  328   1HH2  ARG  47          1HH2      ARG  47   5.387 -20.832  -1.305
  329   2HH2  ARG  47          2HH2      ARG  47   4.827 -22.470  -1.268
  330    H    SER  48           H        SER  48   2.852 -15.835   4.241
  331    HA   SER  48           HA       SER  48   4.734 -14.890   6.270
  332   1HB   SER  48          1HB       SER  48   3.349 -13.276   5.194
  333   2HB   SER  48          2HB       SER  48   1.896 -14.244   5.446
  334    HG   SER  48           HG       SER  48   3.275 -12.590   7.199
  335    HA   PRO  49           HA       PRO  49   3.357 -17.441   9.585
  336   1HB   PRO  49          1HB       PRO  49   3.718 -15.762  11.721
  337   2HB   PRO  49          2HB       PRO  49   5.057 -16.562  10.876
  338   1HG   PRO  49          1HG       PRO  49   4.030 -13.772  10.600
  339   2HG   PRO  49          2HG       PRO  49   5.701 -14.356  10.634
  340   1HD   PRO  49          1HD       PRO  49   4.415 -13.688   8.338
  341   2HD   PRO  49          2HD       PRO  49   5.672 -14.941   8.407
  342    H    LYS  50           H        LYS  50   1.408 -17.859  10.640
  343    HA   LYS  50           HA       LYS  50  -0.970 -16.567   9.992
  344   1HB   LYS  50          1HB       LYS  50  -0.613 -18.801  11.085
  345   2HB   LYS  50          2HB       LYS  50  -0.287 -17.960  12.600
  346   1HG   LYS  50          1HG       LYS  50  -2.532 -16.942  12.521
  347   2HG   LYS  50          2HG       LYS  50  -2.862 -17.785  11.008
  348   1HD   LYS  50          1HD       LYS  50  -3.583 -19.545  12.211
  349   2HD   LYS  50          2HD       LYS  50  -1.937 -19.754  12.809
  350   1HE   LYS  50          1HE       LYS  50  -3.837 -17.762  14.074
  351   2HE   LYS  50          2HE       LYS  50  -3.758 -19.453  14.605
  352   1HZ   LYS  50          1HZ       LYS  50  -1.311 -17.826  14.249
  353   2HZ   LYS  50          2HZ       LYS  50  -2.175 -17.789  15.710
  354   3HZ   LYS  50          3HZ       LYS  50  -1.512 -19.249  15.155
  355    H    ASN  51           H        ASN  51   1.316 -15.684  12.534
  356    HA   ASN  51           HA       ASN  51  -0.400 -13.945  14.024
  357   1HB   ASN  51          1HB       ASN  51   2.474 -14.513  13.685
  358   2HB   ASN  51          2HB       ASN  51   2.128 -12.869  14.218
  359   2HD2  ASN  51          2HD2      ASN  51   0.601 -12.716  16.181
  360   1HD2  ASN  51          1HD2      ASN  51   0.697 -13.940  17.351
  361    H    GLN  52           H        GLN  52   0.889 -13.656  10.846
  362    HA   GLN  52           HA       GLN  52   0.776 -10.704  10.807
  363   1HB   GLN  52          1HB       GLN  52   2.042 -12.820   9.375
  364   2HB   GLN  52          2HB       GLN  52   1.022 -11.951   8.229
  365   1HG   GLN  52          1HG       GLN  52   3.096 -10.706  10.064
  366   2HG   GLN  52          2HG       GLN  52   3.257 -10.929   8.321
  367   2HE2  GLN  52          2HE2      GLN  52   0.621 -10.175   7.515
  368   1HE2  GLN  52          1HE2      GLN  52   0.399  -8.529   7.858
  369    H    PHE  53           H        PHE  53  -1.524 -13.118  10.736
  370    HA   PHE  53           HA       PHE  53  -3.176 -11.991   8.556
  371   1HB   PHE  53          1HB       PHE  53  -3.376 -14.268  10.534
  372   2HB   PHE  53          2HB       PHE  53  -4.732 -13.831   9.497
  373    HD1  PHE  53           HD1      PHE  53  -1.029 -14.399   9.223
  374    HD2  PHE  53           HD2      PHE  53  -4.907 -14.915   7.447
  375    HE1  PHE  53           HE1      PHE  53  -0.003 -15.657   7.347
  376    HE2  PHE  53           HE2      PHE  53  -3.881 -16.172   5.572
  377    HZ   PHE  53           HZ       PHE  53  -1.431 -16.542   5.523
  378    H    LYS  54           H        LYS  54  -4.919 -10.628   8.906
  379    HA   LYS  54           HA       LYS  54  -5.524  -9.891  11.752
  380   1HB   LYS  54          1HB       LYS  54  -4.465  -8.311   9.863
  381   2HB   LYS  54          2HB       LYS  54  -6.162  -8.121   9.421
  382   1HG   LYS  54          2HG       LYS  54  -6.362  -7.809  12.097
  383   2HG   LYS  54          1HG       LYS  54  -6.072  -6.461  10.999
  384   1HD   LYS  54          1HD       LYS  54  -3.797  -8.061  12.176
  385   2HD   LYS  54          2HD       LYS  54  -3.739  -6.459  11.442
  386   1HE   LYS  54          2HE       LYS  54  -5.549  -6.068  13.481
  387   2HE   LYS  54          1HE       LYS  54  -3.812  -5.735  13.621
  388   1HZ   LYS  54          1HZ       LYS  54  -5.005  -8.416  14.082
  389   2HZ   LYS  54          2HZ       LYS  54  -3.425  -7.915  14.441
  390   3HZ   LYS  54          3HZ       LYS  54  -4.733  -7.303  15.336
  391    H    SER  55           H        SER  55  -7.632 -10.241  12.401
  392    HA   SER  55           HA       SER  55  -9.493 -11.656  10.757
  393   1HB   SER  55          1HB       SER  55 -11.038 -11.188  12.636
  394   2HB   SER  55          2HB       SER  55  -9.460 -11.690  13.212
  395    HG   SER  55           HG       SER  55 -10.724  -9.504  13.831
  396    H    ILE  56           H        ILE  56 -11.838 -10.709  10.646
  397    HA   ILE  56           HA       ILE  56 -11.997  -7.851   9.945
  398    HB   ILE  56           HB       ILE  56 -10.999  -8.866   7.943
  399   1HG1  ILE  56          2HG1      ILE  56 -13.781  -7.816   7.939
  400   2HG1  ILE  56          1HG1      ILE  56 -13.235  -8.572   6.443
  401   1HG2  ILE  56          1HG2      ILE  56 -12.872 -10.982   8.614
  402   2HG2  ILE  56          2HG2      ILE  56 -13.047 -10.495   6.929
  403   3HG2  ILE  56          3HG2      ILE  56 -11.480 -11.029   7.532
  404   1HD1  ILE  56          1HD1      ILE  56 -11.488  -6.565   7.854
  405   2HD1  ILE  56          2HD1      ILE  56 -11.491  -7.027   6.152
  406   3HD1  ILE  56          3HD1      ILE  56 -12.790  -6.022   6.795
  407    H    LYS  57           H        LYS  57 -13.494  -8.494  11.866
  408    HA   LYS  57           HA       LYS  57 -15.989  -9.862  11.075
  409   1HB   LYS  57          1HB       LYS  57 -14.760  -8.771  13.604
  410   2HB   LYS  57          2HB       LYS  57 -16.457  -9.247  13.566
  411   1HG   LYS  57          1HG       LYS  57 -15.853 -11.500  12.852
  412   2HG   LYS  57          2HG       LYS  57 -14.154 -11.040  12.738
  413   1HD   LYS  57          1HD       LYS  57 -13.939 -10.819  15.084
  414   2HD   LYS  57          2HD       LYS  57 -15.684 -10.749  15.323
  415   1HE   LYS  57          1HE       LYS  57 -15.917 -13.042  15.218
  416   2HE   LYS  57          2HE       LYS  57 -14.612 -13.219  14.030
  417   1HZ   LYS  57          1HZ       LYS  57 -13.068 -12.491  15.850
  418   2HZ   LYS  57          2HZ       LYS  57 -14.361 -12.662  16.940
  419   3HZ   LYS  57          3HZ       LYS  57 -13.775 -14.014  16.093
  420    H    LYS  58           H        LYS  58 -16.117  -7.879   9.449
  421    HA   LYS  58           HA       LYS  58 -18.204  -6.102  10.434
  422   1HB   LYS  58          1HB       LYS  58 -15.399  -5.376  10.643
  423   2HB   LYS  58          2HB       LYS  58 -16.265  -4.237   9.612
  424   1HG   LYS  58          1HG       LYS  58 -17.353  -3.345  11.375
  425   2HG   LYS  58          2HG       LYS  58 -17.820  -4.938  11.973
  426   1HD   LYS  58          2HD       LYS  58 -15.360  -5.135  12.760
  427   2HD   LYS  58          1HD       LYS  58 -16.429  -4.079  13.682
  428   1HE   LYS  58          1HE       LYS  58 -13.984  -3.341  12.518
  429   2HE   LYS  58          2HE       LYS  58 -15.221  -2.636  11.460
  430   1HZ   LYS  58          1HZ       LYS  58 -15.236  -2.470  14.431
  431   2HZ   LYS  58          2HZ       LYS  58 -14.705  -1.222  13.406
  432   3HZ   LYS  58          3HZ       LYS  58 -16.329  -1.719  13.374
  433    H    VAL  59           H        VAL  59 -19.240  -5.026   8.683
  434    HA   VAL  59           HA       VAL  59 -18.104  -5.599   5.963
  435    HB   VAL  59           HB       VAL  59 -20.964  -5.645   6.984
  436   1HG1  VAL  59          1HG1      VAL  59 -19.903  -5.230   4.331
  437   2HG1  VAL  59          2HG1      VAL  59 -20.746  -6.778   4.397
  438   3HG1  VAL  59          3HG1      VAL  59 -21.589  -5.295   4.847
  439   1HG2  VAL  59          1HG2      VAL  59 -18.924  -7.598   6.983
  440   2HG2  VAL  59          2HG2      VAL  59 -20.641  -7.853   7.293
  441   3HG2  VAL  59          3HG2      VAL  59 -20.005  -8.030   5.659
  442    H    ILE  60           H        ILE  60 -17.669  -3.722   4.886
  443    HA   ILE  60           HA       ILE  60 -19.346  -1.310   5.507
  444    HB   ILE  60           HB       ILE  60 -17.054  -1.247   6.462
  445   1HG1  ILE  60          1HG1      ILE  60 -16.298   0.853   5.165
  446   2HG1  ILE  60          2HG1      ILE  60 -17.737   0.602   4.177
  447   1HG2  ILE  60          1HG2      ILE  60 -16.394  -2.489   4.012
  448   2HG2  ILE  60          2HG2      ILE  60 -15.615  -0.906   3.979
  449   3HG2  ILE  60          3HG2      ILE  60 -15.285  -2.025   5.303
  450   1HD1  ILE  60          1HD1      ILE  60 -19.134   0.647   6.227
  451   2HD1  ILE  60          2HD1      ILE  60 -17.688   0.940   7.193
  452   3HD1  ILE  60          3HD1      ILE  60 -18.229   2.149   6.028
  453    H    ALA  61           H        ALA  61 -19.703   0.117   3.685
  454    HA   ALA  61           HA       ALA  61 -18.785  -0.764   1.009
  455   1HB   ALA  61          1HB       ALA  61 -20.878  -2.049   1.761
  456   2HB   ALA  61          2HB       ALA  61 -21.732  -0.509   1.653
  457   3HB   ALA  61          3HB       ALA  61 -20.997  -1.212   0.212
  458    H    GLY  62           H        GLY  62 -18.749   1.674   2.908
  459   1HA   GLY  62          1HA       GLY  62 -19.478   3.644   0.810
  460   2HA   GLY  62          2HA       GLY  62 -20.173   3.861   2.416
  461    H    PHE  63           H        PHE  63 -17.394   4.360   0.463
  462    HA   PHE  63           HA       PHE  63 -15.761   5.122   2.856
  463   1HB   PHE  63          1HB       PHE  63 -15.286   3.792   0.325
  464   2HB   PHE  63          2HB       PHE  63 -14.236   5.200   0.480
  465    HD1  PHE  63           HD1      PHE  63 -13.427   5.472   3.128
  466    HD2  PHE  63           HD2      PHE  63 -14.307   1.816   1.052
  467    HE1  PHE  63           HE1      PHE  63 -11.984   4.224   4.713
  468    HE2  PHE  63           HE2      PHE  63 -12.864   0.568   2.638
  469    HZ   PHE  63           HZ       PHE  63 -11.703   1.773   4.469
  470    H    ALA  64           H        ALA  64 -15.457   7.291   3.210
  471    HA   ALA  64           HA       ALA  64 -16.334   9.209   1.100
  472   1HB   ALA  64          1HB       ALA  64 -16.700   8.954   3.875
  473   2HB   ALA  64          2HB       ALA  64 -15.589  10.311   3.687
  474   3HB   ALA  64          3HB       ALA  64 -17.158  10.338   2.880
  475    H    GLU  65           H        GLU  65 -13.579   8.480   3.244
  476    HA   GLU  65           HA       GLU  65 -11.322   9.178   3.127
  477   1HB   GLU  65          1HB       GLU  65 -12.294   8.366   0.608
  478   2HB   GLU  65          2HB       GLU  65 -11.359   9.830   0.302
  479   1HG   GLU  65          1HG       GLU  65 -10.265   7.648   2.072
  480   2HG   GLU  65          2HG       GLU  65 -10.103   7.550   0.319
  481    H    ASN  66           H        ASN  66 -12.006  11.200   4.319
  482    HA   ASN  66           HA       ASN  66 -11.396  13.597   2.664
  483   1HB   ASN  66          2HB       ASN  66 -13.857  13.268   2.700
  484   2HB   ASN  66          1HB       ASN  66 -13.391  14.736   3.557
  485   2HD2  ASN  66          2HD2      ASN  66 -15.574  14.362   4.688
  486   1HD2  ASN  66          1HD2      ASN  66 -15.601  13.318   6.027
  487    H    GLN  67           H        GLN  67  -9.683  12.368   4.527
  488    HA   GLN  67           HA       GLN  67  -9.918  13.487   7.186
  489   1HB   GLN  67          1HB       GLN  67  -8.371  11.612   5.810
  490   2HB   GLN  67          2HB       GLN  67  -7.220  12.877   6.239
  491   1HG   GLN  67          1HG       GLN  67  -8.165  12.770   8.600
  492   2HG   GLN  67          2HG       GLN  67  -9.028  11.315   8.099
  493   2HE2  GLN  67          2HE2      GLN  67  -6.106  12.391   9.438
  494   1HE2  GLN  67          1HE2      GLN  67  -5.165  11.014   9.125
  495    H    LYS  68           H        LYS  68  -8.626  14.638   4.139
  496    HA   LYS  68           HA       LYS  68  -7.599  16.683   3.553
  497   1HB   LYS  68          1HB       LYS  68  -9.281  17.335   5.986
  498   2HB   LYS  68          2HB       LYS  68  -8.481  18.579   5.026
  499   1HG   LYS  68          1HG       LYS  68  -9.695  17.092   3.073
  500   2HG   LYS  68          2HG       LYS  68 -10.858  16.948   4.391
  501   1HD   LYS  68          1HD       LYS  68 -10.325  19.589   4.563
  502   2HD   LYS  68          2HD       LYS  68 -10.038  19.350   2.839
  503   1HE   LYS  68          1HE       LYS  68 -12.347  17.978   3.060
  504   2HE   LYS  68          2HE       LYS  68 -12.584  19.139   4.379
  505   1HZ   LYS  68          1HZ       LYS  68 -11.543  19.993   1.744
  506   2HZ   LYS  68          2HZ       LYS  68 -13.215  19.870   2.016
  507   3HZ   LYS  68          3HZ       LYS  68 -12.283  20.937   2.949
  508    H    TYR  69           H        TYR  69  -5.919  14.944   5.071
  509    HA   TYR  69           HA       TYR  69  -4.248  16.972   6.491
  510   1HB   TYR  69          1HB       TYR  69  -5.844  15.360   7.889
  511   2HB   TYR  69          2HB       TYR  69  -4.532  14.212   7.622
  512    HD1  TYR  69           HD1      TYR  69  -5.099  17.767   8.685
  513    HD2  TYR  69           HD2      TYR  69  -2.707  14.220   9.078
  514    HE1  TYR  69           HE1      TYR  69  -3.780  18.855  10.480
  515    HE2  TYR  69           HE2      TYR  69  -1.387  15.310  10.872
  516    HH   TYR  69           HH       TYR  69  -1.371  17.070  12.331
  517    H    GLY  70           H        GLY  70  -3.383  16.460   4.089
  518   1HA   GLY  70          1HA       GLY  70  -2.024  13.995   3.595
  519   2HA   GLY  70          2HA       GLY  70  -1.650  15.530   2.809

  No H/Q in entry =         519
  Start of MODEL    4
    1    H1   MET   1          1H        MET   1 -16.220  -5.412   3.346
    2    H2   MET   1          2H        MET   1 -16.186  -4.904   1.725
    3    H3   MET   1          3H        MET   1 -17.519  -4.525   2.709
    4    HA   MET   1           HA       MET   1 -18.288  -6.308   1.424
    5   1HB   MET   1          1HB       MET   1 -15.741  -6.620   0.807
    6   2HB   MET   1          2HB       MET   1 -15.797  -7.865   2.055
    7   1HG   MET   1          1HG       MET   1 -17.029  -9.265   0.761
    8   2HG   MET   1          2HG       MET   1 -18.068  -7.960   0.187
    9   1HE   MET   1          1HE       MET   1 -16.592  -5.882  -1.096
   10   2HE   MET   1          2HE       MET   1 -16.321  -6.408  -2.755
   11   3HE   MET   1          3HE       MET   1 -17.861  -6.748  -1.972
   12    H    GLU   2           H        GLU   2 -18.603  -8.789   2.206
   13    HA   GLU   2           HA       GLU   2 -19.416  -8.607   5.029
   14   1HB   GLU   2          1HB       GLU   2 -20.630  -9.626   2.949
   15   2HB   GLU   2          2HB       GLU   2 -19.596 -11.024   3.238
   16   1HG   GLU   2          1HG       GLU   2 -20.425 -10.849   5.696
   17   2HG   GLU   2          2HG       GLU   2 -21.714  -9.846   5.029
   18    H    ILE   3           H        ILE   3 -17.337  -8.628   6.129
   19    HA   ILE   3           HA       ILE   3 -16.042 -11.329   6.133
   20    HB   ILE   3           HB       ILE   3 -13.863 -10.071   6.335
   21   1HG1  ILE   3          1HG1      ILE   3 -15.674  -7.717   5.699
   22   2HG1  ILE   3          2HG1      ILE   3 -14.738  -7.948   7.175
   23   1HG2  ILE   3          1HG2      ILE   3 -15.531 -10.476   4.042
   24   2HG2  ILE   3          2HG2      ILE   3 -14.640  -8.972   3.817
   25   3HG2  ILE   3          3HG2      ILE   3 -13.770 -10.475   4.123
   26   1HD1  ILE   3          1HD1      ILE   3 -12.907  -8.225   5.039
   27   2HD1  ILE   3          2HD1      ILE   3 -13.893  -6.812   4.658
   28   3HD1  ILE   3          3HD1      ILE   3 -13.014  -6.889   6.186
   29    H    ASP   4           H        ASP   4 -16.002 -12.135   8.182
   30    HA   ASP   4           HA       ASP   4 -15.217 -10.707  10.530
   31   1HB   ASP   4          1HB       ASP   4 -17.291  -9.468  10.193
   32   2HB   ASP   4          2HB       ASP   4 -18.200 -10.965  10.014
   33    H    GLU   5           H        GLU   5 -17.121 -13.335   9.146
   34    HA   GLU   5           HA       GLU   5 -17.232 -15.018  11.471
   35   1HB   GLU   5          1HB       GLU   5 -17.502 -15.323   8.492
   36   2HB   GLU   5          2HB       GLU   5 -17.468 -16.767   9.504
   37   1HG   GLU   5          1HG       GLU   5 -19.314 -15.779  10.881
   38   2HG   GLU   5          2HG       GLU   5 -19.398 -14.439   9.738
   39    H    GLY   6           H        GLY   6 -14.924 -14.663  12.190
   40   1HA   GLY   6          1HA       GLY   6 -12.711 -15.400  12.409
   41   2HA   GLY   6          2HA       GLY   6 -13.291 -16.916  11.728
   42    H    LYS   7           H        LYS   7 -13.667 -14.013   9.846
   43    HA   LYS   7           HA       LYS   7 -11.908 -15.113   7.760
   44   1HB   LYS   7          1HB       LYS   7 -14.143 -13.380   7.988
   45   2HB   LYS   7          2HB       LYS   7 -12.830 -12.408   7.323
   46   1HG   LYS   7          1HG       LYS   7 -12.895 -13.498   5.341
   47   2HG   LYS   7          2HG       LYS   7 -12.969 -15.075   6.126
   48   1HD   LYS   7          1HD       LYS   7 -15.367 -14.826   6.494
   49   2HD   LYS   7          2HD       LYS   7 -15.326 -13.186   5.848
   50   1HE   LYS   7          1HE       LYS   7 -14.283 -14.373   3.721
   51   2HE   LYS   7          2HE       LYS   7 -15.096 -15.803   4.388
   52   1HZ   LYS   7          1HZ       LYS   7 -17.122 -14.437   4.614
   53   2HZ   LYS   7          2HZ       LYS   7 -16.330 -13.151   3.836
   54   3HZ   LYS   7          3HZ       LYS   7 -16.632 -14.591   2.995
   55    H    TYR   8           H        TYR   8  -9.770 -14.488   7.458
   56    HA   TYR   8           HA       TYR   8  -8.834 -12.027   8.915
   57   1HB   TYR   8          1HB       TYR   8  -7.793 -14.846   8.800
   58   2HB   TYR   8          2HB       TYR   8  -6.661 -13.521   9.061
   59    HD1  TYR   8           HD1      TYR   8  -9.897 -14.901  10.313
   60    HD2  TYR   8           HD2      TYR   8  -6.368 -12.631  11.216
   61    HE1  TYR   8           HE1      TYR   8 -10.574 -14.821  12.696
   62    HE2  TYR   8           HE2      TYR   8  -7.042 -12.540  13.605
   63    HH   TYR   8           HH       TYR   8  -9.302 -14.533  14.950
   64    H    GLU   9           H        GLU   9  -7.158 -10.848   7.853
   65    HA   GLU   9           HA       GLU   9  -6.628 -11.671   5.015
   66   1HB   GLU   9          1HB       GLU   9  -6.670  -9.278   4.495
   67   2HB   GLU   9          2HB       GLU   9  -8.154  -9.713   5.342
   68   1HG   GLU   9          1HG       GLU   9  -7.305  -8.820   7.422
   69   2HG   GLU   9          2HG       GLU   9  -5.708  -8.567   6.719
   70    H    CYS  10           H        CYS  10  -4.463 -11.595   4.354
   71    HA   CYS  10           HA       CYS  10  -2.413 -11.443   6.437
   72   1HB   CYS  10          1HB       CYS  10  -2.649 -12.931   4.281
   73   2HB   CYS  10          2HB       CYS  10  -1.927 -11.546   3.483
   74    H    GLU  11           H        GLU  11  -1.711  -9.429   7.096
   75    HA   GLU  11           HA       GLU  11  -1.948  -7.047   5.458
   76   1HB   GLU  11          1HB       GLU  11  -1.261  -7.839   8.125
   77   2HB   GLU  11          2HB       GLU  11   0.018  -6.790   7.517
   78   1HG   GLU  11          1HG       GLU  11  -1.509  -5.018   7.065
   79   2HG   GLU  11          2HG       GLU  11  -2.907  -6.079   7.228
   80    H    ALA  12           H        ALA  12   0.269  -9.656   5.492
   81    HA   ALA  12           HA       ALA  12   2.611  -8.122   4.618
   82   1HB   ALA  12          1HB       ALA  12   1.905 -11.035   4.976
   83   2HB   ALA  12          2HB       ALA  12   3.471 -10.522   4.350
   84   3HB   ALA  12          3HB       ALA  12   2.971 -10.046   5.973
   85    H    CYS  13           H        CYS  13   0.244 -10.354   3.053
   86    HA   CYS  13           HA       CYS  13   1.394  -9.429   0.445
   87   1HB   CYS  13          1HB       CYS  13   1.145 -11.649  -0.378
   88   2HB   CYS  13          2HB       CYS  13   1.804 -11.832   1.244
   89    H    GLY  14           H        GLY  14  -1.582 -10.214   2.200
   90   1HA   GLY  14          1HA       GLY  14  -3.545  -8.761   1.702
   91   2HA   GLY  14          2HA       GLY  14  -3.088  -8.846   0.002
   92    H    TYR  15           H        TYR  15  -2.812 -11.739   1.874
   93    HA   TYR  15           HA       TYR  15  -4.816 -13.080   0.210
   94   1HB   TYR  15          1HB       TYR  15  -2.715 -14.165   0.795
   95   2HB   TYR  15          2HB       TYR  15  -3.028 -13.927   2.513
   96    HD1  TYR  15           HD1      TYR  15  -3.964 -15.838  -0.498
   97    HD2  TYR  15           HD2      TYR  15  -4.668 -15.282   3.703
   98    HE1  TYR  15           HE1      TYR  15  -5.200 -17.986  -0.422
   99    HE2  TYR  15           HE2      TYR  15  -5.904 -17.431   3.779
  100    HH   TYR  15           HH       TYR  15  -6.904 -19.075   0.964
  101    H    ILE  16           H        ILE  16  -6.490 -14.503   1.369
  102    HA   ILE  16           HA       ILE  16  -7.511 -13.207   3.871
  103    HB   ILE  16           HB       ILE  16  -8.985 -13.869   1.305
  104   1HG1  ILE  16          1HG1      ILE  16  -7.655 -11.765   1.347
  105   2HG1  ILE  16          2HG1      ILE  16  -9.388 -11.463   1.217
  106   1HG2  ILE  16          1HG2      ILE  16  -9.932 -13.689   4.045
  107   2HG2  ILE  16          2HG2      ILE  16 -10.664 -12.435   3.043
  108   3HG2  ILE  16          3HG2      ILE  16 -10.822 -14.132   2.587
  109   1HD1  ILE  16          1HD1      ILE  16  -8.798 -11.607   3.987
  110   2HD1  ILE  16          2HD1      ILE  16  -7.552 -10.592   3.262
  111   3HD1  ILE  16          3HD1      ILE  16  -9.254 -10.176   3.061
  112    H    TYR  17           H        TYR  17  -7.560 -14.823   5.372
  113    HA   TYR  17           HA       TYR  17  -7.719 -17.644   4.596
  114   1HB   TYR  17          1HB       TYR  17  -6.310 -16.994   6.443
  115   2HB   TYR  17          2HB       TYR  17  -7.633 -16.126   7.222
  116    HD1  TYR  17           HD1      TYR  17  -6.668 -19.552   6.038
  117    HD2  TYR  17           HD2      TYR  17  -8.972 -17.218   8.814
  118    HE1  TYR  17           HE1      TYR  17  -7.340 -21.625   7.225
  119    HE2  TYR  17           HE2      TYR  17  -9.644 -19.292   9.999
  120    HH   TYR  17           HH       TYR  17  -9.863 -21.745   9.427
  121    H    GLU  18           H        GLU  18  -9.560 -18.866   4.549
  122    HA   GLU  18           HA       GLU  18 -12.100 -17.624   5.545
  123   1HB   GLU  18          1HB       GLU  18 -11.475 -19.593   3.322
  124   2HB   GLU  18          2HB       GLU  18 -13.112 -19.143   3.798
  125   1HG   GLU  18          1HG       GLU  18 -12.387 -16.711   3.421
  126   2HG   GLU  18          2HG       GLU  18 -10.961 -17.372   2.621
  127    HA   PRO  19           HA       PRO  19 -11.685 -21.118   8.375
  128   1HB   PRO  19          1HB       PRO  19 -13.769 -20.406  10.003
  129   2HB   PRO  19          2HB       PRO  19 -12.151 -19.709  10.123
  130   1HG   PRO  19          1HG       PRO  19 -14.603 -18.574   8.905
  131   2HG   PRO  19          2HG       PRO  19 -13.308 -17.773   9.794
  132   1HD   PRO  19          1HD       PRO  19 -13.556 -17.738   7.057
  133   2HD   PRO  19          2HD       PRO  19 -12.027 -17.498   7.926
  134    H    GLU  20           H        GLU  20 -15.036 -20.057   7.882
  135    HA   GLU  20           HA       GLU  20 -16.380 -22.478   7.957
  136   1HB   GLU  20          1HB       GLU  20 -16.699 -19.862   6.594
  137   2HB   GLU  20          2HB       GLU  20 -17.700 -21.173   5.969
  138   1HG   GLU  20          1HG       GLU  20 -17.952 -21.498   8.694
  139   2HG   GLU  20          2HG       GLU  20 -17.872 -19.743   8.533
  140    H    LYS  21           H        LYS  21 -14.303 -21.295   5.378
  141    HA   LYS  21           HA       LYS  21 -15.095 -23.550   3.608
  142   1HB   LYS  21          1HB       LYS  21 -13.204 -21.212   3.184
  143   2HB   LYS  21          2HB       LYS  21 -13.820 -22.291   1.933
  144   1HG   LYS  21          1HG       LYS  21 -16.000 -21.187   3.494
  145   2HG   LYS  21          2HG       LYS  21 -15.000 -19.898   2.825
  146   1HD   LYS  21          1HD       LYS  21 -16.432 -20.273   1.038
  147   2HD   LYS  21          2HD       LYS  21 -15.135 -21.398   0.635
  148   1HE   LYS  21          2HE       LYS  21 -16.747 -22.894   2.335
  149   2HE   LYS  21          1HE       LYS  21 -16.792 -22.973   0.563
  150   1HZ   LYS  21          1HZ       LYS  21 -18.315 -21.024   0.636
  151   2HZ   LYS  21          2HZ       LYS  21 -18.978 -22.424   1.335
  152   3HZ   LYS  21          3HZ       LYS  21 -18.384 -21.183   2.326
  153    H    GLY  22           H        GLY  22 -12.332 -22.288   5.426
  154   1HA   GLY  22          1HA       GLY  22 -10.536 -23.569   6.312
  155   2HA   GLY  22          2HA       GLY  22 -11.122 -24.962   5.406
  156    H    ASP  23           H        ASP  23  -8.389 -23.851   5.587
  157    HA   ASP  23           HA       ASP  23  -7.818 -22.695   2.946
  158   1HB   ASP  23          1HB       ASP  23  -6.684 -22.631   5.467
  159   2HB   ASP  23          2HB       ASP  23  -5.612 -23.729   4.596
  160    H    LYS  24           H        LYS  24  -8.997 -24.898   2.204
  161    HA   LYS  24           HA       LYS  24  -7.895 -27.438   2.235
  162   1HB   LYS  24          1HB       LYS  24  -9.600 -25.832   0.558
  163   2HB   LYS  24          2HB       LYS  24  -8.593 -26.865  -0.457
  164   1HG   LYS  24          1HG       LYS  24  -9.257 -28.809   1.010
  165   2HG   LYS  24          2HG       LYS  24 -10.405 -27.736   1.811
  166   1HD   LYS  24          1HD       LYS  24 -11.164 -27.230  -0.679
  167   2HD   LYS  24          2HD       LYS  24 -10.444 -28.810  -0.987
  168   1HE   LYS  24          2HE       LYS  24 -11.865 -29.495   1.164
  169   2HE   LYS  24          1HE       LYS  24 -12.639 -29.419  -0.431
  170   1HZ   LYS  24          1HZ       LYS  24 -12.413 -27.052   1.344
  171   2HZ   LYS  24          2HZ       LYS  24 -13.421 -27.254  -0.010
  172   3HZ   LYS  24          3HZ       LYS  24 -13.745 -28.104   1.422
  173    H    PHE  25           H        PHE  25  -6.584 -24.606   0.616
  174    HA   PHE  25           HA       PHE  25  -4.701 -26.038  -1.073
  175   1HB   PHE  25          1HB       PHE  25  -5.659 -23.399  -0.625
  176   2HB   PHE  25          2HB       PHE  25  -3.908 -23.346  -0.423
  177    HD1  PHE  25           HD1      PHE  25  -6.590 -24.562  -2.728
  178    HD2  PHE  25           HD2      PHE  25  -2.480 -23.388  -2.297
  179    HE1  PHE  25           HE1      PHE  25  -6.300 -24.672  -5.189
  180    HE2  PHE  25           HE2      PHE  25  -2.192 -23.498  -4.759
  181    HZ   PHE  25           HZ       PHE  25  -4.102 -24.141  -6.204
  182    H    ALA  26           H        ALA  26  -4.685 -24.864   2.238
  183    HA   ALA  26           HA       ALA  26  -1.759 -25.388   2.482
  184   1HB   ALA  26          3HB       ALA  26  -2.122 -23.406   3.566
  185   2HB   ALA  26          2HB       ALA  26  -2.620 -24.449   4.898
  186   3HB   ALA  26          1HB       ALA  26  -3.832 -23.754   3.822
  187    H    GLY  27           H        GLY  27  -4.893 -26.642   3.437
  188   1HA   GLY  27          1HA       GLY  27  -4.831 -29.120   3.958
  189   2HA   GLY  27          2HA       GLY  27  -3.491 -28.746   5.039
  190    H    ILE  28           H        ILE  28  -6.062 -26.425   4.936
  191    HA   ILE  28           HA       ILE  28  -6.966 -27.395   7.619
  192    HB   ILE  28           HB       ILE  28  -6.806 -24.675   6.295
  193   1HG1  ILE  28          1HG1      ILE  28  -5.667 -25.039   8.957
  194   2HG1  ILE  28          2HG1      ILE  28  -4.975 -26.156   7.781
  195   1HG2  ILE  28          1HG2      ILE  28  -8.096 -25.486   8.917
  196   2HG2  ILE  28          2HG2      ILE  28  -7.664 -23.823   8.519
  197   3HG2  ILE  28          3HG2      ILE  28  -8.870 -24.676   7.555
  198   1HD1  ILE  28          1HD1      ILE  28  -4.498 -24.265   6.266
  199   2HD1  ILE  28          2HD1      ILE  28  -5.188 -23.148   7.443
  200   3HD1  ILE  28          3HD1      ILE  28  -3.713 -24.035   7.829
  201    HA   PRO  29           HA       PRO  29 -10.720 -28.198   5.255
  202   1HB   PRO  29          1HB       PRO  29 -12.121 -29.332   7.319
  203   2HB   PRO  29          2HB       PRO  29 -10.906 -30.212   6.372
  204   1HG   PRO  29          1HG       PRO  29 -10.661 -28.928   9.055
  205   2HG   PRO  29          2HG       PRO  29 -10.015 -30.474   8.486
  206   1HD   PRO  29          1HD       PRO  29  -8.506 -28.223   8.699
  207   2HD   PRO  29          2HD       PRO  29  -8.189 -29.488   7.493
  208    HA   PRO  30           HA       PRO  30 -13.382 -24.889   6.417
  209   1HB   PRO  30          1HB       PRO  30 -15.901 -25.938   6.229
  210   2HB   PRO  30          2HB       PRO  30 -14.902 -25.564   4.810
  211   1HG   PRO  30          1HG       PRO  30 -15.364 -28.177   6.176
  212   2HG   PRO  30          2HG       PRO  30 -15.318 -27.812   4.444
  213   1HD   PRO  30          1HD       PRO  30 -13.229 -28.931   5.750
  214   2HD   PRO  30          2HD       PRO  30 -13.008 -27.825   4.377
  215    H    GLY  31           H        GLY  31 -15.753 -24.812   7.814
  216   1HA   GLY  31          1HA       GLY  31 -16.478 -24.650  10.049
  217   2HA   GLY  31          2HA       GLY  31 -16.152 -26.382  10.075
  218    H    THR  32           H        THR  32 -13.565 -24.079   9.512
  219    HA   THR  32           HA       THR  32 -12.576 -24.583  12.298
  220    HB   THR  32           HB       THR  32 -11.042 -24.561   9.681
  221    HG1  THR  32           HG1      THR  32 -10.733 -26.820  10.461
  222   1HG2  THR  32          1HG2      THR  32 -10.247 -24.502  12.530
  223   2HG2  THR  32          2HG2      THR  32  -9.404 -25.691  11.537
  224   3HG2  THR  32          3HG2      THR  32  -9.355 -23.983  11.100
  225    HA   PRO  33           HA       PRO  33 -12.443 -20.096  11.999
  226   1HB   PRO  33          1HB       PRO  33 -11.754 -19.640  14.605
  227   2HB   PRO  33          2HB       PRO  33 -13.410 -20.013  14.094
  228   1HG   PRO  33          1HG       PRO  33 -11.359 -21.777  15.335
  229   2HG   PRO  33          2HG       PRO  33 -13.108 -21.727  15.593
  230   1HD   PRO  33          1HD       PRO  33 -11.833 -23.588  14.034
  231   2HD   PRO  33          2HD       PRO  33 -13.528 -23.106  13.820
  232    H    PHE  34           H        PHE  34 -10.728 -18.468  12.186
  233    HA   PHE  34           HA       PHE  34  -8.115 -19.408  11.455
  234   1HB   PHE  34          1HB       PHE  34  -8.945 -17.284  10.706
  235   2HB   PHE  34          2HB       PHE  34  -9.284 -16.759  12.346
  236    HD1  PHE  34           HD1      PHE  34  -6.635 -17.363   9.847
  237    HD2  PHE  34           HD2      PHE  34  -7.513 -15.965  13.814
  238    HE1  PHE  34           HE1      PHE  34  -4.367 -16.373  10.001
  239    HE2  PHE  34           HE2      PHE  34  -5.247 -14.973  13.966
  240    HZ   PHE  34           HZ       PHE  34  -3.673 -15.176  12.060
  241    H    VAL  35           H        VAL  35  -9.568 -18.531  14.540
  242    HA   VAL  35           HA       VAL  35  -7.127 -18.232  16.044
  243    HB   VAL  35           HB       VAL  35  -8.684 -18.389  17.947
  244   1HG1  VAL  35          1HG1      VAL  35  -8.621 -16.411  16.213
  245   2HG1  VAL  35          2HG1      VAL  35 -10.233 -16.988  15.788
  246   3HG1  VAL  35          3HG1      VAL  35  -9.892 -16.457  17.435
  247   1HG2  VAL  35          1HG2      VAL  35 -10.070 -20.135  16.210
  248   2HG2  VAL  35          2HG2      VAL  35 -10.538 -19.665  17.843
  249   3HG2  VAL  35          3HG2      VAL  35 -11.132 -18.750  16.458
  250    H    ASP  36           H        ASP  36  -8.591 -21.009  14.683
  251    HA   ASP  36           HA       ASP  36  -7.369 -22.808  16.733
  252   1HB   ASP  36          1HB       ASP  36  -9.651 -22.880  14.836
  253   2HB   ASP  36          2HB       ASP  36  -8.800 -24.407  15.066
  254    H    LEU  37           H        LEU  37  -6.562 -21.429  13.773
  255    HA   LEU  37           HA       LEU  37  -5.568 -23.493  12.152
  256   1HB   LEU  37          1HB       LEU  37  -4.627 -20.695  12.799
  257   2HB   LEU  37          2HB       LEU  37  -3.816 -21.674  11.576
  258    HG   LEU  37           HG       LEU  37  -6.784 -21.035  11.593
  259   1HD1  LEU  37          1HD1      LEU  37  -4.966 -19.176  11.104
  260   2HD1  LEU  37          2HD1      LEU  37  -4.836 -20.009   9.555
  261   3HD1  LEU  37          3HD1      LEU  37  -6.382 -19.329  10.063
  262   1HD2  LEU  37          1HD2      LEU  37  -5.271 -23.047  10.280
  263   2HD2  LEU  37          2HD2      LEU  37  -6.957 -22.616   9.999
  264   3HD2  LEU  37          3HD2      LEU  37  -5.681 -21.842   9.060
  265    H    SER  38           H        SER  38  -3.289 -24.257  11.936
  266    HA   SER  38           HA       SER  38  -2.239 -25.535  14.188
  267   1HB   SER  38          1HB       SER  38  -1.703 -25.748  11.683
  268   2HB   SER  38          2HB       SER  38  -0.567 -24.421  11.926
  269    HG   SER  38           HG       SER  38  -0.512 -27.036  12.916
  270    H    ASP  39           H        ASP  39  -0.148 -25.054  15.342
  271    HA   ASP  39           HA       ASP  39  -0.193 -22.489  16.615
  272   1HB   ASP  39          1HB       ASP  39   1.380 -24.979  16.606
  273   2HB   ASP  39          2HB       ASP  39   2.312 -23.553  17.066
  274    H    SER  40           H        SER  40   1.464 -23.678  13.760
  275    HA   SER  40           HA       SER  40   2.733 -20.978  13.452
  276   1HB   SER  40          1HB       SER  40   4.677 -22.226  12.477
  277   2HB   SER  40          2HB       SER  40   4.388 -22.627  14.170
  278    HG   SER  40           HG       SER  40   3.365 -24.502  13.532
  279    H    PHE  41           H        PHE  41   0.293 -21.398  12.266
  280    HA   PHE  41           HA       PHE  41   0.326 -22.651   9.691
  281   1HB   PHE  41          1HB       PHE  41  -1.764 -22.157  10.683
  282   2HB   PHE  41          2HB       PHE  41  -1.306 -20.511  11.065
  283    HD1  PHE  41           HD1      PHE  41  -2.145 -22.815   8.257
  284    HD2  PHE  41           HD2      PHE  41  -1.674 -18.734   9.517
  285    HE1  PHE  41           HE1      PHE  41  -3.146 -22.040   6.126
  286    HE2  PHE  41           HE2      PHE  41  -2.675 -17.960   7.385
  287    HZ   PHE  41           HZ       PHE  41  -3.409 -19.613   5.689
  288    H    MET  42           H        MET  42   1.190 -21.949   7.772
  289    HA   MET  42           HA       MET  42   2.366 -19.194   7.701
  290   1HB   MET  42          2HB       MET  42   3.937 -20.159   6.101
  291   2HB   MET  42          1HB       MET  42   3.015 -21.660   6.051
  292   1HG   MET  42          1HG       MET  42   3.857 -20.768   8.751
  293   2HG   MET  42          2HG       MET  42   3.853 -22.387   8.054
  294   1HE   MET  42          1HE       MET  42   5.542 -19.821   9.468
  295   2HE   MET  42          2HE       MET  42   6.540 -21.232   9.847
  296   3HE   MET  42          3HE       MET  42   7.237 -19.861   8.986
  297    H    CYS  43           H        CYS  43   1.838 -17.852   5.936
  298    HA   CYS  43           HA       CYS  43  -0.679 -18.083   4.694
  299   1HB   CYS  43          1HB       CYS  43   0.963 -16.107   4.941
  300   2HB   CYS  43          2HB       CYS  43   1.714 -16.721   3.471
  301    HA   PRO  44           HA       PRO  44   0.243 -21.084   1.546
  302   1HB   PRO  44          1HB       PRO  44  -2.093 -20.877   0.143
  303   2HB   PRO  44          2HB       PRO  44  -1.972 -21.732   1.692
  304   1HG   PRO  44          2HG       PRO  44  -3.584 -20.227   2.293
  305   2HG   PRO  44          1HG       PRO  44  -3.069 -19.043   1.086
  306   1HD   PRO  44          1HD       PRO  44  -2.060 -17.969   2.810
  307   2HD   PRO  44          2HD       PRO  44  -2.172 -19.393   3.866
  308    H    ALA  45           H        ALA  45   0.051 -17.744   1.164
  309    HA   ALA  45           HA       ALA  45   0.682 -17.931  -1.758
  310   1HB   ALA  45          3HB       ALA  45  -1.349 -16.745  -1.529
  311   2HB   ALA  45          1HB       ALA  45  -0.804 -15.930  -0.064
  312   3HB   ALA  45          2HB       ALA  45  -0.139 -15.466  -1.630
  313    H    CYS  46           H        CYS  46   1.442 -16.261   1.300
  314    HA   CYS  46           HA       CYS  46   4.066 -15.518   0.072
  315   1HB   CYS  46          2HB       CYS  46   2.152 -13.772   0.667
  316   2HB   CYS  46          1HB       CYS  46   3.846 -13.375   0.918
  317    H    ARG  47           H        ARG  47   2.889 -17.733   2.056
  318    HA   ARG  47           HA       ARG  47   3.742 -19.003   3.844
  319   1HB   ARG  47          1HB       ARG  47   5.683 -18.404   1.989
  320   2HB   ARG  47          2HB       ARG  47   6.453 -17.923   3.502
  321   1HG   ARG  47          1HG       ARG  47   5.958 -20.129   4.471
  322   2HG   ARG  47          2HG       ARG  47   5.143 -20.612   2.983
  323   1HD   ARG  47          1HD       ARG  47   7.611 -19.730   2.067
  324   2HD   ARG  47          2HD       ARG  47   8.015 -20.549   3.588
  325    HE   ARG  47           HE       ARG  47   6.218 -21.871   1.592
  326   1HH1  ARG  47          1HH1      ARG  47   9.472 -21.676   2.227
  327   2HH1  ARG  47          2HH1      ARG  47   9.708 -23.361   2.550
  328   1HH2  ARG  47          1HH2      ARG  47   6.320 -24.100   2.588
  329   2HH2  ARG  47          2HH2      ARG  47   7.923 -24.733   2.753
  330    H    SER  48           H        SER  48   3.176 -15.909   4.328
  331    HA   SER  48           HA       SER  48   4.980 -15.112   6.431
  332   1HB   SER  48          1HB       SER  48   3.698 -13.417   5.413
  333   2HB   SER  48          2HB       SER  48   2.214 -14.364   5.496
  334    HG   SER  48           HG       SER  48   2.906 -12.543   7.150
  335    HA   PRO  49           HA       PRO  49   3.464 -17.557   9.763
  336   1HB   PRO  49          1HB       PRO  49   3.808 -15.852  11.880
  337   2HB   PRO  49          2HB       PRO  49   5.152 -16.685  11.077
  338   1HG   PRO  49          1HG       PRO  49   4.190 -13.880  10.758
  339   2HG   PRO  49          2HG       PRO  49   5.845 -14.504  10.807
  340   1HD   PRO  49          1HD       PRO  49   4.569 -13.824   8.498
  341   2HD   PRO  49          2HD       PRO  49   5.830 -15.071   8.582
  342    H    LYS  50           H        LYS  50   1.491 -17.910  10.826
  343    HA   LYS  50           HA       LYS  50  -0.847 -16.553  10.098
  344   1HB   LYS  50          1HB       LYS  50  -0.585 -18.795  11.215
  345   2HB   LYS  50          2HB       LYS  50  -0.274 -17.950  12.731
  346   1HG   LYS  50          1HG       LYS  50  -2.522 -16.740  12.280
  347   2HG   LYS  50          2HG       LYS  50  -2.819 -18.028  11.112
  348   1HD   LYS  50          1HD       LYS  50  -2.897 -19.682  12.755
  349   2HD   LYS  50          2HD       LYS  50  -1.927 -18.742  13.891
  350   1HE   LYS  50          1HE       LYS  50  -4.675 -17.800  13.048
  351   2HE   LYS  50          2HE       LYS  50  -4.461 -18.932  14.395
  352   1HZ   LYS  50          1HZ       LYS  50  -2.672 -17.319  15.174
  353   2HZ   LYS  50          2HZ       LYS  50  -3.346 -16.203  14.089
  354   3HZ   LYS  50          3HZ       LYS  50  -4.285 -16.817  15.364
  355    H    ASN  51           H        ASN  51   1.486 -15.678  12.561
  356    HA   ASN  51           HA       ASN  51  -0.198 -13.891  14.063
  357   1HB   ASN  51          1HB       ASN  51   2.739 -14.361  13.647
  358   2HB   ASN  51          2HB       ASN  51   2.224 -12.923  14.530
  359   2HD2  ASN  51          2HD2      ASN  51   3.395 -14.184  16.376
  360   1HD2  ASN  51          1HD2      ASN  51   2.458 -15.288  17.261
  361    H    GLN  52           H        GLN  52   1.052 -13.685  10.887
  362    HA   GLN  52           HA       GLN  52   1.115 -10.725  10.870
  363   1HB   GLN  52          1HB       GLN  52   2.341 -12.867   9.470
  364   2HB   GLN  52          2HB       GLN  52   1.352 -12.001   8.295
  365   1HG   GLN  52          1HG       GLN  52   3.402 -10.746  10.147
  366   2HG   GLN  52          2HG       GLN  52   3.615 -11.026   8.418
  367   2HE2  GLN  52          2HE2      GLN  52   1.151 -10.211   7.375
  368   1HE2  GLN  52          1HE2      GLN  52   0.893  -8.567   7.713
  369    H    PHE  53           H        PHE  53  -1.296 -13.042  10.728
  370    HA   PHE  53           HA       PHE  53  -2.836 -11.795   8.526
  371   1HB   PHE  53          1HB       PHE  53  -3.231 -14.094  10.451
  372   2HB   PHE  53          2HB       PHE  53  -4.501 -13.574   9.345
  373    HD1  PHE  53           HD1      PHE  53  -0.906 -14.596   9.423
  374    HD2  PHE  53           HD2      PHE  53  -4.522 -14.335   7.120
  375    HE1  PHE  53           HE1      PHE  53   0.170 -15.868   7.589
  376    HE2  PHE  53           HE2      PHE  53  -3.444 -15.605   5.284
  377    HZ   PHE  53           HZ       PHE  53  -1.099 -16.373   5.521
  378    H    LYS  54           H        LYS  54  -4.206 -10.114   8.897
  379    HA   LYS  54           HA       LYS  54  -4.932  -9.441  11.710
  380   1HB   LYS  54          1HB       LYS  54  -3.821  -7.891   9.909
  381   2HB   LYS  54          2HB       LYS  54  -5.452  -7.776   9.250
  382   1HG   LYS  54          1HG       LYS  54  -6.036  -7.303  11.822
  383   2HG   LYS  54          2HG       LYS  54  -4.367  -6.731  11.825
  384   1HD   LYS  54          1HD       LYS  54  -5.093  -5.478   9.628
  385   2HD   LYS  54          2HD       LYS  54  -6.721  -5.697  10.269
  386   1HE   LYS  54          1HE       LYS  54  -6.323  -4.314  12.108
  387   2HE   LYS  54          2HE       LYS  54  -4.574  -4.610  12.078
  388   1HZ   LYS  54          1HZ       LYS  54  -6.122  -3.145   9.998
  389   2HZ   LYS  54          2HZ       LYS  54  -5.121  -2.420  11.162
  390   3HZ   LYS  54          3HZ       LYS  54  -4.447  -3.424   9.973
  391    H    SER  55           H        SER  55  -7.039  -9.736  12.384
  392    HA   SER  55           HA       SER  55  -8.955 -11.158  10.830
  393   1HB   SER  55          1HB       SER  55  -9.225 -11.246  13.152
  394   2HB   SER  55          2HB       SER  55  -8.957  -9.519  13.340
  395    HG   SER  55           HG       SER  55 -11.075  -9.607  13.506
  396    H    ILE  56           H        ILE  56 -11.267 -10.112  10.625
  397    HA   ILE  56           HA       ILE  56 -11.323  -7.300   9.785
  398    HB   ILE  56           HB       ILE  56 -12.094  -8.066   7.433
  399   1HG1  ILE  56          1HG1      ILE  56 -10.563 -10.549   8.269
  400   2HG1  ILE  56          2HG1      ILE  56 -12.312 -10.475   8.057
  401   1HG2  ILE  56          1HG2      ILE  56  -9.757  -7.130   8.289
  402   2HG2  ILE  56          2HG2      ILE  56  -9.210  -8.742   7.826
  403   3HG2  ILE  56          3HG2      ILE  56  -9.964  -7.690   6.630
  404   1HD1  ILE  56          1HD1      ILE  56 -10.261  -9.852   5.910
  405   2HD1  ILE  56          2HD1      ILE  56 -11.186 -11.349   6.028
  406   3HD1  ILE  56          3HD1      ILE  56 -12.011  -9.825   5.703
  407    H    LYS  57           H        LYS  57 -13.083  -7.141  11.254
  408    HA   LYS  57           HA       LYS  57 -15.495  -8.808  10.644
  409   1HB   LYS  57          1HB       LYS  57 -16.153  -8.076  12.956
  410   2HB   LYS  57          2HB       LYS  57 -14.625  -8.955  12.922
  411   1HG   LYS  57          1HG       LYS  57 -13.368  -7.060  13.362
  412   2HG   LYS  57          2HG       LYS  57 -14.549  -5.976  12.627
  413   1HD   LYS  57          2HD       LYS  57 -16.084  -6.390  14.538
  414   2HD   LYS  57          1HD       LYS  57 -14.552  -5.690  15.064
  415   1HE   LYS  57          1HE       LYS  57 -15.508  -8.544  15.344
  416   2HE   LYS  57          2HE       LYS  57 -13.782  -8.144  15.425
  417   1HZ   LYS  57          1HZ       LYS  57 -14.510  -6.311  17.012
  418   2HZ   LYS  57          2HZ       LYS  57 -15.989  -7.139  17.130
  419   3HZ   LYS  57          3HZ       LYS  57 -14.552  -7.899  17.616
  420    H    LYS  58           H        LYS  58 -15.529  -7.090   8.728
  421    HA   LYS  58           HA       LYS  58 -17.083  -4.697   9.662
  422   1HB   LYS  58          1HB       LYS  58 -14.758  -5.064   7.938
  423   2HB   LYS  58          2HB       LYS  58 -16.046  -4.185   7.114
  424   1HG   LYS  58          1HG       LYS  58 -15.617  -3.329   9.897
  425   2HG   LYS  58          2HG       LYS  58 -14.229  -3.052   8.846
  426   1HD   LYS  58          1HD       LYS  58 -15.326  -1.487   7.592
  427   2HD   LYS  58          2HD       LYS  58 -16.867  -2.336   7.698
  428   1HE   LYS  58          1HE       LYS  58 -17.317  -1.448   9.876
  429   2HE   LYS  58          2HE       LYS  58 -15.647  -0.884  10.064
  430   1HZ   LYS  58          1HZ       LYS  58 -15.991   0.532   8.094
  431   2HZ   LYS  58          2HZ       LYS  58 -17.619   0.056   8.042
  432   3HZ   LYS  58          3HZ       LYS  58 -17.038   0.947   9.367
  433    H    VAL  59           H        VAL  59 -18.805  -6.596   9.394
  434    HA   VAL  59           HA       VAL  59 -19.574  -7.169   6.613
  435    HB   VAL  59           HB       VAL  59 -21.379  -8.433   7.769
  436   1HG1  VAL  59          1HG1      VAL  59 -18.500  -8.693   8.531
  437   2HG1  VAL  59          2HG1      VAL  59 -19.671  -9.703   9.381
  438   3HG1  VAL  59          3HG1      VAL  59 -19.526  -9.807   7.626
  439   1HG2  VAL  59          1HG2      VAL  59 -20.884  -6.527   9.802
  440   2HG2  VAL  59          2HG2      VAL  59 -22.046  -7.854   9.840
  441   3HG2  VAL  59          3HG2      VAL  59 -20.415  -8.091  10.467
  442    H    ILE  60           H        ILE  60 -21.701  -6.547   5.760
  443    HA   ILE  60           HA       ILE  60 -22.781  -4.026   6.985
  444    HB   ILE  60           HB       ILE  60 -22.557  -4.822   4.063
  445   1HG1  ILE  60          1HG1      ILE  60 -20.976  -2.720   5.564
  446   2HG1  ILE  60          2HG1      ILE  60 -20.373  -4.353   5.278
  447   1HG2  ILE  60          1HG2      ILE  60 -24.153  -2.882   5.386
  448   2HG2  ILE  60          2HG2      ILE  60 -22.859  -2.006   4.569
  449   3HG2  ILE  60          3HG2      ILE  60 -23.916  -3.076   3.649
  450   1HD1  ILE  60          1HD1      ILE  60 -21.454  -2.899   2.915
  451   2HD1  ILE  60          2HD1      ILE  60 -19.921  -2.317   3.565
  452   3HD1  ILE  60          3HD1      ILE  60 -20.073  -3.990   3.029
  453    H    ALA  61           H        ALA  61 -24.341  -5.525   8.091
  454    HA   ALA  61           HA       ALA  61 -26.094  -7.318   6.784
  455   1HB   ALA  61          1HB       ALA  61 -26.561  -5.463   9.143
  456   2HB   ALA  61          2HB       ALA  61 -27.518  -6.899   8.775
  457   3HB   ALA  61          3HB       ALA  61 -25.818  -7.062   9.221
  458    H    GLY  62           H        GLY  62 -28.410  -6.959   6.236
  459   1HA   GLY  62          1HA       GLY  62 -29.030  -4.155   5.424
  460   2HA   GLY  62          2HA       GLY  62 -29.221  -5.469   4.262
  461    H    PHE  63           H        PHE  63 -31.208  -6.427   4.206
  462    HA   PHE  63           HA       PHE  63 -32.856  -6.532   6.675
  463   1HB   PHE  63          1HB       PHE  63 -33.082  -4.460   4.854
  464   2HB   PHE  63          2HB       PHE  63 -34.336  -5.582   4.322
  465    HD1  PHE  63           HD1      PHE  63 -32.987  -3.900   7.381
  466    HD2  PHE  63           HD2      PHE  63 -36.389  -5.694   5.468
  467    HE1  PHE  63           HE1      PHE  63 -34.425  -3.190   9.272
  468    HE2  PHE  63           HE2      PHE  63 -37.827  -4.983   7.358
  469    HZ   PHE  63           HZ       PHE  63 -36.845  -3.729   9.260
  470    H    ALA  64           H        ALA  64 -35.075  -7.667   5.971
  471    HA   ALA  64           HA       ALA  64 -35.020  -9.437   3.683
  472   1HB   ALA  64          1HB       ALA  64 -33.400 -10.102   5.914
  473   2HB   ALA  64          2HB       ALA  64 -34.777 -11.204   5.954
  474   3HB   ALA  64          3HB       ALA  64 -33.759 -11.116   4.516
  475    H    GLU  65           H        GLU  65 -37.154  -9.920   3.337
  476    HA   GLU  65           HA       GLU  65 -38.933 -10.505   5.645
  477   1HB   GLU  65          1HB       GLU  65 -40.554  -8.797   4.795
  478   2HB   GLU  65          2HB       GLU  65 -39.036  -8.075   5.331
  479   1HG   GLU  65          1HG       GLU  65 -38.745  -8.813   2.582
  480   2HG   GLU  65          2HG       GLU  65 -40.250  -7.909   2.750
  481    H    ASN  66           H        ASN  66 -38.491 -12.607   4.287
  482    HA   ASN  66           HA       ASN  66 -40.577 -12.774   2.137
  483   1HB   ASN  66          1HB       ASN  66 -37.772 -13.910   2.284
  484   2HB   ASN  66          2HB       ASN  66 -38.956 -14.431   1.086
  485   2HD2  ASN  66          2HD2      ASN  66 -36.595 -12.029   1.799
  486   1HD2  ASN  66          1HD2      ASN  66 -36.965 -10.964   0.530
  487    H    GLN  67           H        GLN  67 -42.176 -14.053   2.990
  488    HA   GLN  67           HA       GLN  67 -41.360 -16.437   4.621
  489   1HB   GLN  67          1HB       GLN  67 -43.648 -16.152   5.619
  490   2HB   GLN  67          2HB       GLN  67 -42.607 -14.750   5.869
  491   1HG   GLN  67          1HG       GLN  67 -43.887 -13.412   4.543
  492   2HG   GLN  67          2HG       GLN  67 -44.167 -14.691   3.362
  493   2HE2  GLN  67          2HE2      GLN  67 -44.910 -14.621   6.888
  494   1HE2  GLN  67          1HE2      GLN  67 -46.574 -14.896   6.694
  495    H    LYS  68           H        LYS  68 -43.713 -17.865   4.533
  496    HA   LYS  68           HA       LYS  68 -44.292 -18.254   1.618
  497   1HB   LYS  68          1HB       LYS  68 -43.053 -20.048   3.630
  498   2HB   LYS  68          2HB       LYS  68 -44.273 -20.795   2.598
  499   1HG   LYS  68          1HG       LYS  68 -43.072 -20.326   0.628
  500   2HG   LYS  68          2HG       LYS  68 -42.104 -19.076   1.407
  501   1HD   LYS  68          1HD       LYS  68 -40.766 -21.116   1.058
  502   2HD   LYS  68          2HD       LYS  68 -40.985 -20.803   2.780
  503   1HE   LYS  68          1HE       LYS  68 -42.796 -22.455   2.885
  504   2HE   LYS  68          2HE       LYS  68 -42.674 -22.727   1.136
  505   1HZ   LYS  68          1HZ       LYS  68 -40.259 -23.213   1.545
  506   2HZ   LYS  68          2HZ       LYS  68 -40.605 -23.235   3.208
  507   3HZ   LYS  68          3HZ       LYS  68 -41.330 -24.369   2.171
  508    H    TYR  69           H        TYR  69 -46.472 -17.854   1.484
  509    HA   TYR  69           HA       TYR  69 -48.280 -19.315   3.352
  510   1HB   TYR  69          1HB       TYR  69 -47.609 -16.642   3.644
  511   2HB   TYR  69          2HB       TYR  69 -49.119 -16.568   2.734
  512    HD1  TYR  69           HD1      TYR  69 -47.591 -18.339   5.669
  513    HD2  TYR  69           HD2      TYR  69 -51.145 -16.706   3.892
  514    HE1  TYR  69           HE1      TYR  69 -48.861 -18.855   7.735
  515    HE2  TYR  69           HE2      TYR  69 -52.416 -17.222   5.959
  516    HH   TYR  69           HH       TYR  69 -51.099 -17.787   8.829
  517    H    GLY  70           H        GLY  70 -48.479 -20.573   1.251
  518   1HA   GLY  70          1HA       GLY  70 -49.596 -19.333  -1.098
  519   2HA   GLY  70          2HA       GLY  70 -49.598 -21.064  -0.757

  No H/Q in entry =         519
  Start of MODEL    5
    1    H1   MET   1          1H        MET   1 -13.636  -6.945   3.141
    2    H2   MET   1          2H        MET   1 -13.610  -8.382   2.242
    3    H3   MET   1          3H        MET   1 -12.645  -7.067   1.766
    4    HA   MET   1           HA       MET   1 -14.601  -5.765   1.227
    5   1HB   MET   1          1HB       MET   1 -13.579  -8.110  -0.001
    6   2HB   MET   1          2HB       MET   1 -15.327  -8.147  -0.230
    7   1HG   MET   1          2HG       MET   1 -15.112  -5.689  -0.959
    8   2HG   MET   1          1HG       MET   1 -14.498  -6.905  -2.079
    9   1HE   MET   1          1HE       MET   1 -14.170  -4.137  -2.141
   10   2HE   MET   1          2HE       MET   1 -13.174  -3.338  -0.918
   11   3HE   MET   1          3HE       MET   1 -12.476  -3.784  -2.473
   12    H    GLU   2           H        GLU   2 -15.928  -5.763   3.282
   13    HA   GLU   2           HA       GLU   2 -17.943  -6.207   4.435
   14   1HB   GLU   2          1HB       GLU   2 -18.497  -5.742   1.891
   15   2HB   GLU   2          2HB       GLU   2 -18.934  -7.450   1.884
   16   1HG   GLU   2          1HG       GLU   2 -19.976  -5.827   4.149
   17   2HG   GLU   2          2HG       GLU   2 -20.677  -5.503   2.564
   18    H    ILE   3           H        ILE   3 -16.509  -7.998   5.484
   19    HA   ILE   3           HA       ILE   3 -17.966 -10.576   5.214
   20    HB   ILE   3           HB       ILE   3 -15.794 -11.775   5.024
   21   1HG1  ILE   3          1HG1      ILE   3 -14.526  -9.083   4.508
   22   2HG1  ILE   3          2HG1      ILE   3 -14.543  -9.794   6.121
   23   1HG2  ILE   3          1HG2      ILE   3 -17.175 -10.849   3.023
   24   2HG2  ILE   3          2HG2      ILE   3 -15.870  -9.674   2.866
   25   3HG2  ILE   3          3HG2      ILE   3 -15.528 -11.397   2.715
   26   1HD1  ILE   3          1HD1      ILE   3 -13.448 -11.158   3.644
   27   2HD1  ILE   3          2HD1      ILE   3 -12.464 -10.353   4.865
   28   3HD1  ILE   3          3HD1      ILE   3 -13.397 -11.788   5.290
   29    H    ASP   4           H        ASP   4 -17.980 -11.746   7.174
   30    HA   ASP   4           HA       ASP   4 -16.316 -10.736   9.427
   31   1HB   ASP   4          1HB       ASP   4 -18.374  -9.423   9.410
   32   2HB   ASP   4          2HB       ASP   4 -19.330 -10.902   9.314
   33    H    GLU   5           H        GLU   5 -17.154 -13.345   7.730
   34    HA   GLU   5           HA       GLU   5 -17.970 -15.217   9.813
   35   1HB   GLU   5          1HB       GLU   5 -17.308 -15.192   6.916
   36   2HB   GLU   5          2HB       GLU   5 -17.079 -16.733   7.744
   37   1HG   GLU   5          1HG       GLU   5 -19.617 -15.144   8.102
   38   2HG   GLU   5          2HG       GLU   5 -19.416 -16.236   6.732
   39    H    GLY   6           H        GLY   6 -15.882 -14.197  11.061
   40   1HA   GLY   6          1HA       GLY   6 -13.734 -14.590  11.925
   41   2HA   GLY   6          2HA       GLY   6 -14.080 -16.279  11.580
   42    H    LYS   7           H        LYS   7 -14.026 -13.986   8.950
   43    HA   LYS   7           HA       LYS   7 -11.844 -15.458   7.672
   44   1HB   LYS   7          1HB       LYS   7 -13.869 -13.417   7.037
   45   2HB   LYS   7          2HB       LYS   7 -12.339 -13.175   6.192
   46   1HG   LYS   7          1HG       LYS   7 -12.465 -15.242   5.101
   47   2HG   LYS   7          2HG       LYS   7 -13.561 -15.920   6.303
   48   1HD   LYS   7          1HD       LYS   7 -15.416 -14.721   5.449
   49   2HD   LYS   7          2HD       LYS   7 -14.389 -13.605   4.551
   50   1HE   LYS   7          1HE       LYS   7 -13.648 -16.062   3.511
   51   2HE   LYS   7          2HE       LYS   7 -15.393 -16.251   3.759
   52   1HZ   LYS   7          1HZ       LYS   7 -14.179 -13.831   2.538
   53   2HZ   LYS   7          2HZ       LYS   7 -14.719 -15.149   1.611
   54   3HZ   LYS   7          3HZ       LYS   7 -15.818 -14.269   2.561
   55    H    TYR   8           H        TYR   8  -9.687 -14.880   7.732
   56    HA   TYR   8           HA       TYR   8  -9.011 -12.288   9.087
   57   1HB   TYR   8          1HB       TYR   8  -7.822 -15.047   8.989
   58   2HB   TYR   8          2HB       TYR   8  -6.770 -13.677   9.335
   59    HD1  TYR   8           HD1      TYR   8 -10.266 -14.642  10.298
   60    HD2  TYR   8           HD2      TYR   8  -6.373 -13.412  11.611
   61    HE1  TYR   8           HE1      TYR   8 -11.076 -14.629  12.639
   62    HE2  TYR   8           HE2      TYR   8  -7.173 -13.400  13.960
   63    HH   TYR   8           HH       TYR   8  -9.317 -13.195  15.171
   64    H    GLU   9           H        GLU   9  -7.871 -10.793   7.902
   65    HA   GLU   9           HA       GLU   9  -7.046 -11.509   5.143
   66   1HB   GLU   9          1HB       GLU   9  -8.481  -9.498   5.823
   67   2HB   GLU   9          2HB       GLU   9  -7.015  -8.816   6.528
   68   1HG   GLU   9          1HG       GLU   9  -5.995  -8.522   4.461
   69   2HG   GLU   9          2HG       GLU   9  -6.917  -9.822   3.706
   70    H    CYS  10           H        CYS  10  -4.880 -11.634   4.562
   71    HA   CYS  10           HA       CYS  10  -2.838 -11.637   6.648
   72   1HB   CYS  10          1HB       CYS  10  -3.066 -13.051   4.482
   73   2HB   CYS  10          2HB       CYS  10  -2.412 -11.639   3.671
   74    H    GLU  11           H        GLU  11  -2.040  -9.696   7.407
   75    HA   GLU  11           HA       GLU  11  -2.193  -7.213   5.928
   76   1HB   GLU  11          1HB       GLU  11  -1.496  -8.202   8.518
   77   2HB   GLU  11          2HB       GLU  11  -0.162  -7.199   7.951
   78   1HG   GLU  11          1HG       GLU  11  -1.940  -5.468   7.306
   79   2HG   GLU  11          2HG       GLU  11  -3.067  -6.425   8.267
   80    H    ALA  12           H        ALA  12  -0.093  -9.910   5.730
   81    HA   ALA  12           HA       ALA  12   2.294  -8.424   4.900
   82   1HB   ALA  12          1HB       ALA  12   1.446 -11.289   5.215
   83   2HB   ALA  12          2HB       ALA  12   2.951 -10.902   4.380
   84   3HB   ALA  12          3HB       ALA  12   2.721 -10.412   6.058
   85    H    CYS  13           H        CYS  13  -0.207 -10.430   3.247
   86    HA   CYS  13           HA       CYS  13   0.917  -9.369   0.681
   87   1HB   CYS  13          2HB       CYS  13   1.325 -11.806   1.289
   88   2HB   CYS  13          1HB       CYS  13   0.596 -11.524  -0.287
   89    H    GLY  14           H        GLY  14  -2.047 -10.310   2.393
   90   1HA   GLY  14          1HA       GLY  14  -3.988  -8.758   2.025
   91   2HA   GLY  14          2HA       GLY  14  -3.562  -8.775   0.315
   92    H    TYR  15           H        TYR  15  -3.286 -11.755   2.036
   93    HA   TYR  15           HA       TYR  15  -5.388 -12.967   0.380
   94   1HB   TYR  15          1HB       TYR  15  -3.285 -14.125   0.744
   95   2HB   TYR  15          2HB       TYR  15  -3.448 -13.965   2.492
   96    HD1  TYR  15           HD1      TYR  15  -4.839 -15.616  -0.528
   97    HD2  TYR  15           HD2      TYR  15  -4.821 -15.463   3.764
   98    HE1  TYR  15           HE1      TYR  15  -6.091 -17.756  -0.446
   99    HE2  TYR  15           HE2      TYR  15  -6.073 -17.601   3.847
  100    HH   TYR  15           HH       TYR  15  -7.473 -19.021   1.012
  101    H    ILE  16           H        ILE  16  -6.998 -14.464   1.576
  102    HA   ILE  16           HA       ILE  16  -7.856 -13.256   4.182
  103    HB   ILE  16           HB       ILE  16  -9.432 -13.827   1.656
  104   1HG1  ILE  16          2HG1      ILE  16  -8.709 -11.390   3.269
  105   2HG1  ILE  16          1HG1      ILE  16 -10.143 -11.383   2.242
  106   1HG2  ILE  16          1HG2      ILE  16 -10.307 -13.897   4.446
  107   2HG2  ILE  16          2HG2      ILE  16 -11.177 -12.686   3.504
  108   3HG2  ILE  16          3HG2      ILE  16 -11.179 -14.373   2.989
  109   1HD1  ILE  16          1HD1      ILE  16  -8.001 -12.520   0.737
  110   2HD1  ILE  16          2HD1      ILE  16  -8.845 -11.000   0.446
  111   3HD1  ILE  16          3HD1      ILE  16  -7.410 -11.029   1.470
  112    H    TYR  17           H        TYR  17  -7.578 -14.953   5.604
  113    HA   TYR  17           HA       TYR  17  -7.733 -17.741   4.849
  114   1HB   TYR  17          1HB       TYR  17  -6.378 -16.983   6.714
  115   2HB   TYR  17          2HB       TYR  17  -7.781 -16.255   7.493
  116    HD1  TYR  17           HD1      TYR  17  -6.514 -19.546   6.235
  117    HD2  TYR  17           HD2      TYR  17  -9.031 -17.499   9.051
  118    HE1  TYR  17           HE1      TYR  17  -7.008 -21.699   7.363
  119    HE2  TYR  17           HE2      TYR  17  -9.528 -19.653  10.172
  120    HH   TYR  17           HH       TYR  17  -9.420 -21.927   9.911
  121    H    GLU  18           H        GLU  18  -9.464 -19.153   5.014
  122    HA   GLU  18           HA       GLU  18 -12.107 -17.974   5.810
  123   1HB   GLU  18          2HB       GLU  18 -13.031 -19.545   4.162
  124   2HB   GLU  18          1HB       GLU  18 -11.430 -20.234   3.896
  125   1HG   GLU  18          1HG       GLU  18 -12.503 -17.556   3.065
  126   2HG   GLU  18          2HG       GLU  18 -10.773 -17.740   3.343
  127    HA   PRO  19           HA       PRO  19 -11.466 -21.136   8.986
  128   1HB   PRO  19          1HB       PRO  19 -13.547 -20.323  10.582
  129   2HB   PRO  19          2HB       PRO  19 -11.938 -19.587  10.614
  130   1HG   PRO  19          1HG       PRO  19 -14.428 -18.630   9.293
  131   2HG   PRO  19          2HG       PRO  19 -13.172 -17.717  10.129
  132   1HD   PRO  19          1HD       PRO  19 -13.357 -17.879   7.408
  133   2HD   PRO  19          2HD       PRO  19 -11.828 -17.620   8.272
  134    H    GLU  20           H        GLU  20 -14.907 -20.320   8.736
  135    HA   GLU  20           HA       GLU  20 -16.009 -22.858   8.907
  136   1HB   GLU  20          1HB       GLU  20 -16.722 -20.222   7.854
  137   2HB   GLU  20          2HB       GLU  20 -17.587 -21.527   7.043
  138   1HG   GLU  20          1HG       GLU  20 -17.474 -21.971   9.914
  139   2HG   GLU  20          2HG       GLU  20 -18.209 -20.412   9.541
  140    H    LYS  21           H        LYS  21 -14.341 -21.460   6.146
  141    HA   LYS  21           HA       LYS  21 -15.248 -23.636   4.350
  142   1HB   LYS  21          1HB       LYS  21 -14.545 -20.952   4.077
  143   2HB   LYS  21          2HB       LYS  21 -13.173 -21.816   3.386
  144   1HG   LYS  21          1HG       LYS  21 -15.442 -23.175   2.436
  145   2HG   LYS  21          2HG       LYS  21 -15.849 -21.464   2.308
  146   1HD   LYS  21          1HD       LYS  21 -14.424 -21.176   0.582
  147   2HD   LYS  21          2HD       LYS  21 -13.111 -21.966   1.456
  148   1HE   LYS  21          1HE       LYS  21 -13.986 -24.177   0.806
  149   2HE   LYS  21          2HE       LYS  21 -15.338 -23.401  -0.040
  150   1HZ   LYS  21          1HZ       LYS  21 -12.473 -22.808  -0.583
  151   2HZ   LYS  21          2HZ       LYS  21 -13.389 -23.914  -1.491
  152   3HZ   LYS  21          3HZ       LYS  21 -13.818 -22.273  -1.474
  153    H    GLY  22           H        GLY  22 -12.280 -22.495   5.933
  154   1HA   GLY  22          1HA       GLY  22 -10.523 -23.971   6.667
  155   2HA   GLY  22          2HA       GLY  22 -11.128 -25.202   5.559
  156    H    ASP  23           H        ASP  23  -8.386 -24.085   5.862
  157    HA   ASP  23           HA       ASP  23  -7.899 -22.521   3.421
  158   1HB   ASP  23          1HB       ASP  23  -6.669 -22.940   5.909
  159   2HB   ASP  23          2HB       ASP  23  -5.581 -23.693   4.744
  160    H    LYS  24           H        LYS  24  -9.053 -24.608   2.371
  161    HA   LYS  24           HA       LYS  24  -7.866 -27.085   1.975
  162   1HB   LYS  24          1HB       LYS  24  -9.681 -25.290   0.613
  163   2HB   LYS  24          2HB       LYS  24  -8.716 -26.184  -0.562
  164   1HG   LYS  24          1HG       LYS  24  -9.888 -27.678   1.754
  165   2HG   LYS  24          2HG       LYS  24 -10.952 -27.224   0.423
  166   1HD   LYS  24          1HD       LYS  24 -10.202 -29.092  -0.613
  167   2HD   LYS  24          2HD       LYS  24  -8.704 -28.200  -0.874
  168   1HE   LYS  24          1HE       LYS  24  -7.715 -29.125   1.129
  169   2HE   LYS  24          2HE       LYS  24  -9.263 -29.834   1.625
  170   1HZ   LYS  24          1HZ       LYS  24  -9.208 -30.955  -0.653
  171   2HZ   LYS  24          2HZ       LYS  24  -7.560 -30.553  -0.691
  172   3HZ   LYS  24          3HZ       LYS  24  -8.158 -31.569   0.533
  173    H    PHE  25           H        PHE  25  -6.717 -23.984   0.781
  174    HA   PHE  25           HA       PHE  25  -4.857 -25.106  -1.171
  175   1HB   PHE  25          1HB       PHE  25  -5.975 -22.629  -0.526
  176   2HB   PHE  25          2HB       PHE  25  -4.265 -22.440  -0.135
  177    HD1  PHE  25           HD1      PHE  25  -2.534 -22.738  -1.867
  178    HD2  PHE  25           HD2      PHE  25  -6.717 -23.017  -2.799
  179    HE1  PHE  25           HE1      PHE  25  -2.008 -22.545  -4.285
  180    HE2  PHE  25           HE2      PHE  25  -6.193 -22.825  -5.215
  181    HZ   PHE  25           HZ       PHE  25  -3.838 -22.588  -5.958
  182    H    ALA  26           H        ALA  26  -4.792 -24.437   2.254
  183    HA   ALA  26           HA       ALA  26  -1.823 -24.747   2.334
  184   1HB   ALA  26          3HB       ALA  26  -1.953 -23.407   4.182
  185   2HB   ALA  26          2HB       ALA  26  -3.379 -24.243   4.800
  186   3HB   ALA  26          1HB       ALA  26  -3.552 -23.009   3.551
  187    H    GLY  27           H        GLY  27  -4.836 -26.288   3.289
  188   1HA   GLY  27          1HA       GLY  27  -4.655 -28.809   3.441
  189   2HA   GLY  27          2HA       GLY  27  -3.240 -28.534   4.458
  190    H    ILE  28           H        ILE  28  -6.150 -26.551   4.672
  191    HA   ILE  28           HA       ILE  28  -6.704 -27.800   7.341
  192    HB   ILE  28           HB       ILE  28  -6.756 -24.926   6.382
  193   1HG1  ILE  28          1HG1      ILE  28  -5.321 -25.736   8.835
  194   2HG1  ILE  28          2HG1      ILE  28  -4.674 -26.406   7.336
  195   1HG2  ILE  28          1HG2      ILE  28  -8.696 -25.380   7.863
  196   2HG2  ILE  28          2HG2      ILE  28  -7.600 -26.044   9.075
  197   3HG2  ILE  28          3HG2      ILE  28  -7.513 -24.335   8.650
  198   1HD1  ILE  28          1HD1      ILE  28  -5.234 -23.466   7.834
  199   2HD1  ILE  28          2HD1      ILE  28  -3.639 -24.217   7.886
  200   3HD1  ILE  28          3HD1      ILE  28  -4.535 -24.153   6.367
  201    HA   PRO  29           HA       PRO  29 -10.635 -28.464   5.272
  202   1HB   PRO  29          1HB       PRO  29 -11.891 -29.683   7.378
  203   2HB   PRO  29          2HB       PRO  29 -10.736 -30.521   6.324
  204   1HG   PRO  29          2HG       PRO  29  -9.711 -30.853   8.364
  205   2HG   PRO  29          1HG       PRO  29 -10.325 -29.331   9.029
  206   1HD   PRO  29          1HD       PRO  29  -8.201 -28.602   8.562
  207   2HD   PRO  29          2HD       PRO  29  -7.956 -29.822   7.296
  208    HA   PRO  30           HA       PRO  30 -13.223 -25.234   6.778
  209   1HB   PRO  30          1HB       PRO  30 -15.749 -26.277   6.681
  210   2HB   PRO  30          2HB       PRO  30 -14.834 -25.830   5.228
  211   1HG   PRO  30          2HG       PRO  30 -15.264 -28.052   4.765
  212   2HG   PRO  30          1HG       PRO  30 -15.237 -28.508   6.475
  213   1HD   PRO  30          1HD       PRO  30 -13.126 -29.244   5.942
  214   2HD   PRO  30          2HD       PRO  30 -12.967 -28.107   4.586
  215    H    GLY  31           H        GLY  31 -15.516 -25.250   8.314
  216   1HA   GLY  31          1HA       GLY  31 -16.119 -25.222  10.589
  217   2HA   GLY  31          2HA       GLY  31 -15.724 -26.939  10.528
  218    H    THR  32           H        THR  32 -13.255 -24.557   9.861
  219    HA   THR  32           HA       THR  32 -12.060 -25.084  12.563
  220    HB   THR  32           HB       THR  32 -10.720 -24.918   9.844
  221    HG1  THR  32           HG1      THR  32 -10.336 -27.142  10.274
  222   1HG2  THR  32          1HG2      THR  32  -9.467 -24.103  11.962
  223   2HG2  THR  32          2HG2      THR  32  -9.450 -25.804  12.428
  224   3HG2  THR  32          3HG2      THR  32  -8.666 -25.291  10.934
  225    HA   PRO  33           HA       PRO  33 -12.176 -20.576  12.306
  226   1HB   PRO  33          1HB       PRO  33 -11.535 -20.123  14.928
  227   2HB   PRO  33          2HB       PRO  33 -13.171 -20.552  14.392
  228   1HG   PRO  33          2HG       PRO  33 -12.823 -22.269  15.879
  229   2HG   PRO  33          1HG       PRO  33 -11.070 -22.253  15.640
  230   1HD   PRO  33          1HD       PRO  33 -11.468 -24.069  14.315
  231   2HD   PRO  33          2HD       PRO  33 -13.176 -23.640  14.085
  232    H    PHE  34           H        PHE  34 -10.513 -18.990  12.216
  233    HA   PHE  34           HA       PHE  34  -7.881 -19.785  11.599
  234   1HB   PHE  34          1HB       PHE  34  -8.778 -17.647  10.954
  235   2HB   PHE  34          2HB       PHE  34  -9.095 -17.199  12.619
  236    HD1  PHE  34           HD1      PHE  34  -6.460 -17.723  10.077
  237    HD2  PHE  34           HD2      PHE  34  -7.333 -16.374  14.061
  238    HE1  PHE  34           HE1      PHE  34  -4.204 -16.705  10.228
  239    HE2  PHE  34           HE2      PHE  34  -5.076 -15.356  14.212
  240    HZ   PHE  34           HZ       PHE  34  -3.513 -15.520  12.295
  241    H    VAL  35           H        VAL  35  -9.352 -19.157  14.726
  242    HA   VAL  35           HA       VAL  35  -6.922 -18.818  16.242
  243    HB   VAL  35           HB       VAL  35  -8.481 -19.274  18.135
  244   1HG1  VAL  35          1HG1      VAL  35  -9.455 -17.500  15.882
  245   2HG1  VAL  35          2HG1      VAL  35 -10.166 -17.481  17.497
  246   3HG1  VAL  35          3HG1      VAL  35  -8.475 -17.030  17.272
  247   1HG2  VAL  35          1HG2      VAL  35  -9.938 -20.593  15.983
  248   2HG2  VAL  35          2HG2      VAL  35 -10.143 -20.748  17.728
  249   3HG2  VAL  35          3HG2      VAL  35 -10.958 -19.450  16.856
  250    H    ASP  36           H        ASP  36  -8.408 -21.601  14.820
  251    HA   ASP  36           HA       ASP  36  -7.083 -23.476  16.703
  252   1HB   ASP  36          1HB       ASP  36  -9.308 -23.460  14.800
  253   2HB   ASP  36          2HB       ASP  36  -8.314 -24.911  14.665
  254    H    LEU  37           H        LEU  37  -6.185 -21.799  13.924
  255    HA   LEU  37           HA       LEU  37  -4.905 -23.746  12.299
  256   1HB   LEU  37          1HB       LEU  37  -4.372 -20.844  12.962
  257   2HB   LEU  37          2HB       LEU  37  -3.428 -21.709  11.749
  258    HG   LEU  37           HG       LEU  37  -6.451 -21.447  11.731
  259   1HD1  LEU  37          1HD1      LEU  37  -5.025 -19.342  11.289
  260   2HD1  LEU  37          2HD1      LEU  37  -4.498 -20.162   9.819
  261   3HD1  LEU  37          3HD1      LEU  37  -6.205 -19.786  10.056
  262   1HD2  LEU  37          1HD2      LEU  37  -4.426 -22.786   9.949
  263   2HD2  LEU  37          2HD2      LEU  37  -5.948 -23.426  10.570
  264   3HD2  LEU  37          3HD2      LEU  37  -5.958 -22.217   9.286
  265    H    SER  38           H        SER  38  -2.588 -24.296  12.223
  266    HA   SER  38           HA       SER  38  -1.475 -25.227  14.642
  267   1HB   SER  38          1HB       SER  38  -0.721 -26.081  12.547
  268   2HB   SER  38          2HB       SER  38  -0.322 -24.470  11.950
  269    HG   SER  38           HG       SER  38   1.595 -25.130  12.600
  270    H    ASP  39           H        ASP  39   0.624 -24.433  15.641
  271    HA   ASP  39           HA       ASP  39   0.374 -21.666  16.463
  272   1HB   ASP  39          1HB       ASP  39   1.395 -23.923  17.524
  273   2HB   ASP  39          2HB       ASP  39   2.883 -23.220  16.889
  274    H    SER  40           H        SER  40   1.868 -23.140  13.746
  275    HA   SER  40           HA       SER  40   3.359 -20.603  13.210
  276   1HB   SER  40          2HB       SER  40   4.766 -22.531  14.125
  277   2HB   SER  40          1HB       SER  40   5.301 -21.867  12.582
  278    HG   SER  40           HG       SER  40   5.217 -23.939  12.106
  279    H    PHE  41           H        PHE  41   0.759 -21.609  12.200
  280    HA   PHE  41           HA       PHE  41   0.873 -22.825   9.656
  281   1HB   PHE  41          1HB       PHE  41  -1.237 -22.492  10.666
  282   2HB   PHE  41          2HB       PHE  41  -0.917 -20.803  11.007
  283    HD1  PHE  41           HD1      PHE  41  -1.541 -23.220   8.231
  284    HD2  PHE  41           HD2      PHE  41  -1.540 -19.105   9.468
  285    HE1  PHE  41           HE1      PHE  41  -2.644 -22.580   6.105
  286    HE2  PHE  41           HE2      PHE  41  -2.643 -18.467   7.340
  287    HZ   PHE  41           HZ       PHE  41  -3.193 -20.203   5.660
  288    H    MET  42           H        MET  42   1.254 -22.004   7.558
  289    HA   MET  42           HA       MET  42   2.399 -19.232   7.443
  290   1HB   MET  42          1HB       MET  42   3.006 -21.614   5.665
  291   2HB   MET  42          2HB       MET  42   3.896 -20.097   5.746
  292   1HG   MET  42          1HG       MET  42   5.164 -20.886   7.429
  293   2HG   MET  42          2HG       MET  42   3.726 -21.226   8.390
  294   1HE   MET  42          1HE       MET  42   6.374 -22.458   8.420
  295   2HE   MET  42          2HE       MET  42   6.390 -24.196   8.128
  296   3HE   MET  42          3HE       MET  42   6.821 -23.073   6.831
  297    H    CYS  43           H        CYS  43   1.570 -17.861   5.898
  298    HA   CYS  43           HA       CYS  43  -0.964 -18.265   4.706
  299   1HB   CYS  43          1HB       CYS  43   0.289 -16.131   5.158
  300   2HB   CYS  43          2HB       CYS  43   1.322 -16.503   3.781
  301    HA   PRO  44           HA       PRO  44   0.303 -20.901   1.325
  302   1HB   PRO  44          1HB       PRO  44  -2.096 -20.973   0.015
  303   2HB   PRO  44          2HB       PRO  44  -1.765 -21.917   1.479
  304   1HG   PRO  44          2HG       PRO  44  -3.589 -20.747   2.234
  305   2HG   PRO  44          1HG       PRO  44  -3.284 -19.380   1.153
  306   1HD   PRO  44          1HD       PRO  44  -2.430 -18.375   3.010
  307   2HD   PRO  44          2HD       PRO  44  -2.213 -19.921   3.855
  308    H    ALA  45           H        ALA  45  -0.490 -17.623   1.193
  309    HA   ALA  45           HA       ALA  45  -0.089 -17.488  -1.763
  310   1HB   ALA  45          3HB       ALA  45  -2.006 -16.291  -1.452
  311   2HB   ALA  45          1HB       ALA  45  -1.677 -16.042   0.263
  312   3HB   ALA  45          2HB       ALA  45  -0.910 -15.007  -0.942
  313    H    CYS  46           H        CYS  46   1.153 -16.362   1.358
  314    HA   CYS  46           HA       CYS  46   3.508 -15.280  -0.121
  315   1HB   CYS  46          1HB       CYS  46   3.337 -13.200   0.917
  316   2HB   CYS  46          2HB       CYS  46   1.647 -13.620   0.684
  317    H    ARG  47           H        ARG  47   2.605 -17.588   1.949
  318    HA   ARG  47           HA       ARG  47   3.748 -18.911   3.523
  319   1HB   ARG  47          1HB       ARG  47   5.466 -18.032   1.542
  320   2HB   ARG  47          2HB       ARG  47   6.341 -17.646   3.024
  321   1HG   ARG  47          2HG       ARG  47   5.665 -20.059   3.760
  322   2HG   ARG  47          1HG       ARG  47   6.988 -19.867   2.609
  323   1HD   ARG  47          1HD       ARG  47   4.243 -20.950   2.173
  324   2HD   ARG  47          2HD       ARG  47   4.938 -19.982   0.860
  325    HE   ARG  47           HE       ARG  47   7.006 -21.513   1.161
  326   1HH1  ARG  47          1HH1      ARG  47   4.535 -22.675   3.065
  327   2HH1  ARG  47          2HH1      ARG  47   4.483 -24.257   2.363
  328   1HH2  ARG  47          1HH2      ARG  47   6.628 -23.463  -0.241
  329   2HH2  ARG  47          2HH2      ARG  47   5.670 -24.704   0.494
  330    H    SER  48           H        SER  48   3.069 -15.863   4.236
  331    HA   SER  48           HA       SER  48   5.045 -15.183   6.257
  332   1HB   SER  48          1HB       SER  48   3.276 -13.533   6.910
  333   2HB   SER  48          2HB       SER  48   3.622 -13.510   5.183
  334    HG   SER  48           HG       SER  48   1.410 -14.572   6.555
  335    HA   PRO  49           HA       PRO  49   3.630 -17.716   9.567
  336   1HB   PRO  49          1HB       PRO  49   4.043 -16.074  11.725
  337   2HB   PRO  49          2HB       PRO  49   5.359 -16.889  10.858
  338   1HG   PRO  49          1HG       PRO  49   4.385 -14.077  10.625
  339   2HG   PRO  49          2HG       PRO  49   6.043 -14.693  10.644
  340   1HD   PRO  49          1HD       PRO  49   4.766 -13.972   8.362
  341   2HD   PRO  49          2HD       PRO  49   5.990 -15.259   8.412
  342    H    LYS  50           H        LYS  50   1.664 -18.117  10.581
  343    HA   LYS  50           HA       LYS  50  -0.683 -16.766   9.969
  344   1HB   LYS  50          1HB       LYS  50  -0.370 -19.022  11.020
  345   2HB   LYS  50          2HB       LYS  50  -0.038 -18.217  12.552
  346   1HG   LYS  50          1HG       LYS  50  -2.310 -17.036  12.200
  347   2HG   LYS  50          2HG       LYS  50  -2.617 -18.280  10.987
  348   1HD   LYS  50          1HD       LYS  50  -2.627 -19.999  12.565
  349   2HD   LYS  50          2HD       LYS  50  -1.642 -19.089  13.710
  350   1HE   LYS  50          1HE       LYS  50  -3.640 -17.487  13.928
  351   2HE   LYS  50          2HE       LYS  50  -4.584 -18.731  13.088
  352   1HZ   LYS  50          1HZ       LYS  50  -3.651 -20.346  14.734
  353   2HZ   LYS  50          2HZ       LYS  50  -3.030 -19.027  15.606
  354   3HZ   LYS  50          3HZ       LYS  50  -4.706 -19.200  15.410
  355    H    ASN  51           H        ASN  51   1.585 -15.960  12.572
  356    HA   ASN  51           HA       ASN  51  -0.159 -14.221  14.033
  357   1HB   ASN  51          1HB       ASN  51   1.983 -13.327  14.919
  358   2HB   ASN  51          2HB       ASN  51   1.996 -15.088  14.860
  359   2HD2  ASN  51          2HD2      ASN  51   4.256 -15.401  14.515
  360   1HD2  ASN  51          1HD2      ASN  51   5.070 -14.836  13.138
  361    H    GLN  52           H        GLN  52   1.217 -13.897  10.902
  362    HA   GLN  52           HA       GLN  52   1.225 -10.951  10.905
  363   1HB   GLN  52          1HB       GLN  52   2.384 -13.078   9.443
  364   2HB   GLN  52          2HB       GLN  52   1.331 -12.231   8.309
  365   1HG   GLN  52          1HG       GLN  52   3.432 -10.914  10.060
  366   2HG   GLN  52          2HG       GLN  52   3.616 -11.262   8.341
  367   2HE2  GLN  52          2HE2      GLN  52   1.075 -10.525   7.359
  368   1HE2  GLN  52          1HE2      GLN  52   0.833  -8.865   7.612
  369    H    PHE  53           H        PHE  53  -1.189 -13.303  10.734
  370    HA   PHE  53           HA       PHE  53  -2.808 -12.058   8.622
  371   1HB   PHE  53          1HB       PHE  53  -3.088 -14.275  10.639
  372   2HB   PHE  53          2HB       PHE  53  -4.512 -13.698   9.773
  373    HD1  PHE  53           HD1      PHE  53  -0.973 -14.772   9.134
  374    HD2  PHE  53           HD2      PHE  53  -5.011 -14.595   7.677
  375    HE1  PHE  53           HE1      PHE  53  -0.317 -16.107   7.149
  376    HE2  PHE  53           HE2      PHE  53  -4.354 -15.929   5.694
  377    HZ   PHE  53           HZ       PHE  53  -2.007 -16.685   5.429
  378    H    LYS  54           H        LYS  54  -5.074 -11.302   9.202
  379    HA   LYS  54           HA       LYS  54  -5.327 -10.105  11.916
  380   1HB   LYS  54          1HB       LYS  54  -4.141  -8.653  10.033
  381   2HB   LYS  54          2HB       LYS  54  -5.800  -8.392   9.497
  382   1HG   LYS  54          1HG       LYS  54  -6.215  -7.884  12.059
  383   2HG   LYS  54          2HG       LYS  54  -4.480  -7.563  12.060
  384   1HD   LYS  54          1HD       LYS  54  -5.669  -5.486  11.595
  385   2HD   LYS  54          2HD       LYS  54  -4.819  -5.998  10.137
  386   1HE   LYS  54          1HE       LYS  54  -6.814  -5.872   9.057
  387   2HE   LYS  54          2HE       LYS  54  -7.340  -7.269  10.017
  388   1HZ   LYS  54          1HZ       LYS  54  -7.734  -5.569  11.853
  389   2HZ   LYS  54          2HZ       LYS  54  -7.629  -4.385  10.640
  390   3HZ   LYS  54          3HZ       LYS  54  -8.843  -5.572  10.570
  391    H    SER  55           H        SER  55  -7.472 -10.249  12.566
  392    HA   SER  55           HA       SER  55  -9.421 -11.573  10.931
  393   1HB   SER  55          1HB       SER  55 -10.942 -10.929  12.800
  394   2HB   SER  55          2HB       SER  55  -9.431 -11.616  13.364
  395    HG   SER  55           HG       SER  55  -9.520  -9.834  14.535
  396    H    ILE  56           H        ILE  56 -11.657 -10.519  10.651
  397    HA   ILE  56           HA       ILE  56 -11.679  -7.637  10.050
  398    HB   ILE  56           HB       ILE  56 -10.495  -8.609   8.115
  399   1HG1  ILE  56          1HG1      ILE  56 -12.745  -8.150   6.520
  400   2HG1  ILE  56          2HG1      ILE  56 -13.055  -7.219   7.984
  401   1HG2  ILE  56          1HG2      ILE  56 -12.471 -10.673   8.469
  402   2HG2  ILE  56          2HG2      ILE  56 -12.581 -10.036   6.829
  403   3HG2  ILE  56          3HG2      ILE  56 -11.051 -10.678   7.424
  404   1HD1  ILE  56          1HD1      ILE  56 -10.286  -6.949   7.136
  405   2HD1  ILE  56          2HD1      ILE  56 -11.396  -6.471   5.852
  406   3HD1  ILE  56          3HD1      ILE  56 -11.488  -5.694   7.432
  407    H    LYS  57           H        LYS  57 -13.462  -7.950  11.636
  408    HA   LYS  57           HA       LYS  57 -15.850  -9.420  10.669
  409   1HB   LYS  57          2HB       LYS  57 -16.659  -8.928  12.944
  410   2HB   LYS  57          1HB       LYS  57 -15.282  -7.860  13.212
  411   1HG   LYS  57          1HG       LYS  57 -15.027 -10.804  12.537
  412   2HG   LYS  57          2HG       LYS  57 -13.733  -9.712  13.031
  413   1HD   LYS  57          2HD       LYS  57 -15.771  -9.530  15.004
  414   2HD   LYS  57          1HD       LYS  57 -14.160 -10.225  15.181
  415   1HE   LYS  57          1HE       LYS  57 -16.506 -11.767  14.021
  416   2HE   LYS  57          2HE       LYS  57 -14.942 -12.413  14.550
  417   1HZ   LYS  57          1HZ       LYS  57 -16.722 -10.873  16.354
  418   2HZ   LYS  57          2HZ       LYS  57 -16.835 -12.562  16.212
  419   3HZ   LYS  57          3HZ       LYS  57 -15.401 -11.848  16.776
  420    H    LYS  58           H        LYS  58 -15.628  -7.529   8.861
  421    HA   LYS  58           HA       LYS  58 -17.356  -5.253   9.786
  422   1HB   LYS  58          1HB       LYS  58 -15.058  -5.443   7.828
  423   2HB   LYS  58          2HB       LYS  58 -16.169  -4.074   7.824
  424   1HG   LYS  58          1HG       LYS  58 -15.560  -4.280  10.492
  425   2HG   LYS  58          2HG       LYS  58 -14.037  -4.759   9.743
  426   1HD   LYS  58          1HD       LYS  58 -14.131  -2.701   8.331
  427   2HD   LYS  58          2HD       LYS  58 -15.588  -2.210   9.193
  428   1HE   LYS  58          1HE       LYS  58 -14.028  -1.111  10.508
  429   2HE   LYS  58          2HE       LYS  58 -13.960  -2.692  11.309
  430   1HZ   LYS  58          1HZ       LYS  58 -12.288  -3.276   9.492
  431   2HZ   LYS  58          2HZ       LYS  58 -12.173  -1.605   9.209
  432   3HZ   LYS  58          3HZ       LYS  58 -11.750  -2.245  10.725
  433    H    VAL  59           H        VAL  59 -19.343  -5.270   8.829
  434    HA   VAL  59           HA       VAL  59 -19.609  -6.546   6.125
  435    HB   VAL  59           HB       VAL  59 -21.514  -6.580   8.492
  436   1HG1  VAL  59          1HG1      VAL  59 -22.120  -6.796   5.799
  437   2HG1  VAL  59          2HG1      VAL  59 -21.928  -8.477   6.293
  438   3HG1  VAL  59          3HG1      VAL  59 -23.095  -7.444   7.118
  439   1HG2  VAL  59          1HG2      VAL  59 -19.561  -8.578   7.354
  440   2HG2  VAL  59          2HG2      VAL  59 -19.768  -8.071   9.031
  441   3HG2  VAL  59          3HG2      VAL  59 -20.973  -9.109   8.269
  442    H    ILE  60           H        ILE  60 -19.159  -4.024   5.776
  443    HA   ILE  60           HA       ILE  60 -21.840  -2.696   5.598
  444    HB   ILE  60           HB       ILE  60 -20.446  -1.838   7.474
  445   1HG1  ILE  60          1HG1      ILE  60 -20.352   0.320   5.404
  446   2HG1  ILE  60          2HG1      ILE  60 -21.918  -0.386   5.803
  447   1HG2  ILE  60          1HG2      ILE  60 -18.340  -2.255   5.737
  448   2HG2  ILE  60          2HG2      ILE  60 -18.513  -0.499   5.717
  449   3HG2  ILE  60          3HG2      ILE  60 -18.248  -1.341   7.244
  450   1HD1  ILE  60          1HD1      ILE  60 -20.758   0.001   8.290
  451   2HD1  ILE  60          2HD1      ILE  60 -20.226   1.416   7.382
  452   3HD1  ILE  60          3HD1      ILE  60 -21.948   1.067   7.542
  453    H    ALA  61           H        ALA  61 -22.252  -2.558   3.424
  454    HA   ALA  61           HA       ALA  61 -20.544  -1.079   1.636
  455   1HB   ALA  61          2HB       ALA  61 -20.653  -3.966   0.860
  456   2HB   ALA  61          3HB       ALA  61 -19.405  -2.765   0.527
  457   3HB   ALA  61          1HB       ALA  61 -19.513  -3.504   2.125
  458    H    GLY  62           H        GLY  62 -22.731  -3.922   1.461
  459   1HA   GLY  62          1HA       GLY  62 -25.110  -2.870   0.735
  460   2HA   GLY  62          2HA       GLY  62 -24.199  -2.649  -0.759
  461    H    PHE  63           H        PHE  63 -24.709  -4.247  -2.170
  462    HA   PHE  63           HA       PHE  63 -25.135  -7.013  -1.083
  463   1HB   PHE  63          1HB       PHE  63 -26.318  -5.432  -3.368
  464   2HB   PHE  63          2HB       PHE  63 -26.448  -7.190  -3.312
  465    HD1  PHE  63           HD1      PHE  63 -27.440  -8.260  -1.198
  466    HD2  PHE  63           HD2      PHE  63 -27.782  -4.076  -2.109
  467    HE1  PHE  63           HE1      PHE  63 -29.341  -8.071   0.383
  468    HE2  PHE  63           HE2      PHE  63 -29.683  -3.887  -0.527
  469    HZ   PHE  63           HZ       PHE  63 -30.462  -5.884   0.719
  470    H    ALA  64           H        ALA  64 -24.007  -8.703  -2.081
  471    HA   ALA  64           HA       ALA  64 -22.029  -7.917  -4.200
  472   1HB   ALA  64          3HB       ALA  64 -20.430  -8.848  -2.884
  473   2HB   ALA  64          2HB       ALA  64 -21.416 -10.277  -2.575
  474   3HB   ALA  64          1HB       ALA  64 -21.636  -8.826  -1.597
  475    H    GLU  65           H        GLU  65 -24.208 -10.439  -2.982
  476    HA   GLU  65           HA       GLU  65 -23.683 -12.425  -4.974
  477   1HB   GLU  65          1HB       GLU  65 -25.843 -13.317  -4.186
  478   2HB   GLU  65          2HB       GLU  65 -24.885 -12.743  -2.821
  479   1HG   GLU  65          1HG       GLU  65 -26.133 -10.614  -2.834
  480   2HG   GLU  65          2HG       GLU  65 -27.085 -11.177  -4.208
  481    H    ASN  66           H        ASN  66 -25.699  -9.528  -4.984
  482    HA   ASN  66           HA       ASN  66 -27.404 -10.077  -7.173
  483   1HB   ASN  66          1HB       ASN  66 -27.540  -7.623  -7.314
  484   2HB   ASN  66          2HB       ASN  66 -27.514  -8.135  -5.627
  485   2HD2  ASN  66          2HD2      ASN  66 -25.304  -6.999  -8.235
  486   1HD2  ASN  66          1HD2      ASN  66 -24.211  -6.237  -7.183
  487    H    GLN  67           H        GLN  67 -27.173  -9.059  -9.403
  488    HA   GLN  67           HA       GLN  67 -24.378  -8.809 -10.377
  489   1HB   GLN  67          1HB       GLN  67 -25.086 -11.230 -10.378
  490   2HB   GLN  67          2HB       GLN  67 -26.380 -10.798 -11.495
  491   1HG   GLN  67          1HG       GLN  67 -24.911 -10.366 -13.241
  492   2HG   GLN  67          2HG       GLN  67 -23.576  -9.972 -12.157
  493   2HE2  GLN  67          2HE2      GLN  67 -24.952 -12.480 -14.070
  494   1HE2  GLN  67          1HE2      GLN  67 -23.988 -13.756 -13.497
  495    H    LYS  68           H        LYS  68 -24.631  -6.778 -11.301
  496    HA   LYS  68           HA       LYS  68 -25.459  -5.101 -12.748
  497   1HB   LYS  68          1HB       LYS  68 -25.860  -7.750 -13.991
  498   2HB   LYS  68          2HB       LYS  68 -26.865  -6.471 -14.671
  499   1HG   LYS  68          1HG       LYS  68 -24.870  -5.079 -15.038
  500   2HG   LYS  68          2HG       LYS  68 -23.854  -6.332 -14.322
  501   1HD   LYS  68          1HD       LYS  68 -25.525  -7.481 -16.379
  502   2HD   LYS  68          2HD       LYS  68 -24.635  -6.104 -17.031
  503   1HE   LYS  68          1HE       LYS  68 -22.697  -7.379 -15.530
  504   2HE   LYS  68          2HE       LYS  68 -23.631  -8.738 -16.184
  505   1HZ   LYS  68          1HZ       LYS  68 -22.781  -6.410 -17.821
  506   2HZ   LYS  68          2HZ       LYS  68 -21.858  -7.832 -17.700
  507   3HZ   LYS  68          3HZ       LYS  68 -23.419  -7.884 -18.370
  508    H    TYR  69           H        TYR  69 -27.637  -4.289 -13.745
  509    HA   TYR  69           HA       TYR  69 -30.022  -5.283 -12.270
  510   1HB   TYR  69          1HB       TYR  69 -28.576  -2.683 -11.934
  511   2HB   TYR  69          2HB       TYR  69 -30.334  -2.672 -11.809
  512    HD1  TYR  69           HD1      TYR  69 -31.313  -4.723 -10.357
  513    HD2  TYR  69           HD2      TYR  69 -27.369  -3.062  -9.981
  514    HE1  TYR  69           HE1      TYR  69 -31.153  -5.624  -8.052
  515    HE2  TYR  69           HE2      TYR  69 -27.209  -3.963  -7.676
  516    HH   TYR  69           HH       TYR  69 -29.730  -4.898  -5.890
  517    H    GLY  70           H        GLY  70 -29.311  -2.260 -14.031
  518   1HA   GLY  70          1HA       GLY  70 -31.302  -3.119 -16.091
  519   2HA   GLY  70          2HA       GLY  70 -31.240  -1.466 -15.481

  No H/Q in entry =         519
  Start of MODEL    6
    1    H1   MET   1          1H        MET   1 -17.380  -8.168  -0.514
    2    H2   MET   1          2H        MET   1 -17.577  -6.593  -1.111
    3    H3   MET   1          3H        MET   1 -16.317  -7.572  -1.698
    4    HA   MET   1           HA       MET   1 -15.123  -7.450   0.326
    5   1HB   MET   1          1HB       MET   1 -16.349  -4.956  -0.813
    6   2HB   MET   1          2HB       MET   1 -15.262  -4.816   0.569
    7   1HG   MET   1          1HG       MET   1 -13.897  -6.557  -1.079
    8   2HG   MET   1          2HG       MET   1 -14.654  -5.463  -2.235
    9   1HE   MET   1          1HE       MET   1 -13.464  -5.233   1.364
   10   2HE   MET   1          2HE       MET   1 -11.991  -5.864   0.631
   11   3HE   MET   1          3HE       MET   1 -12.014  -4.232   1.317
   12    H    GLU   2           H        GLU   2 -16.767  -8.659   1.769
   13    HA   GLU   2           HA       GLU   2 -17.520  -6.886   4.009
   14   1HB   GLU   2          1HB       GLU   2 -19.876  -7.734   3.931
   15   2HB   GLU   2          2HB       GLU   2 -19.452  -6.790   2.503
   16   1HG   GLU   2          1HG       GLU   2 -18.791  -9.079   1.458
   17   2HG   GLU   2          2HG       GLU   2 -19.747  -9.780   2.763
   18    H    ILE   3           H        ILE   3 -16.806  -7.990   5.790
   19    HA   ILE   3           HA       ILE   3 -16.974 -10.987   5.755
   20    HB   ILE   3           HB       ILE   3 -14.860  -9.217   7.025
   21   1HG1  ILE   3          1HG1      ILE   3 -13.663 -10.667   4.996
   22   2HG1  ILE   3          2HG1      ILE   3 -15.212 -10.217   4.286
   23   1HG2  ILE   3          1HG2      ILE   3 -15.321 -12.175   6.807
   24   2HG2  ILE   3          2HG2      ILE   3 -13.666 -11.564   6.847
   25   3HG2  ILE   3          3HG2      ILE   3 -14.762 -11.234   8.190
   26   1HD1  ILE   3          1HD1      ILE   3 -14.255  -7.931   5.667
   27   2HD1  ILE   3          2HD1      ILE   3 -12.898  -8.565   4.736
   28   3HD1  ILE   3          3HD1      ILE   3 -14.406  -8.148   3.923
   29    H    ASP   4           H        ASP   4 -16.847 -11.843   8.112
   30    HA   ASP   4           HA       ASP   4 -17.638 -10.153  10.313
   31   1HB   ASP   4          1HB       ASP   4 -19.596 -10.489   8.436
   32   2HB   ASP   4          2HB       ASP   4 -19.950 -11.823   9.534
   33    H    GLU   5           H        GLU   5 -17.616 -13.381   8.860
   34    HA   GLU   5           HA       GLU   5 -17.961 -14.775  11.402
   35   1HB   GLU   5          2HB       GLU   5 -17.546 -16.740   9.975
   36   2HB   GLU   5          1HB       GLU   5 -16.967 -15.692   8.681
   37   1HG   GLU   5          1HG       GLU   5 -19.471 -14.644   9.398
   38   2HG   GLU   5          2HG       GLU   5 -19.098 -15.574   7.947
   39    H    GLY   6           H        GLY   6 -15.705 -16.697  10.575
   40   1HA   GLY   6          1HA       GLY   6 -13.589 -15.241  12.041
   41   2HA   GLY   6          2HA       GLY   6 -13.615 -16.975  11.729
   42    H    LYS   7           H        LYS   7 -14.252 -14.654   9.159
   43    HA   LYS   7           HA       LYS   7 -12.068 -15.752   7.564
   44   1HB   LYS   7          1HB       LYS   7 -14.392 -14.028   7.293
   45   2HB   LYS   7          2HB       LYS   7 -13.006 -13.341   6.445
   46   1HG   LYS   7          2HG       LYS   7 -12.876 -16.049   5.820
   47   2HG   LYS   7          1HG       LYS   7 -13.493 -14.776   4.767
   48   1HD   LYS   7          2HD       LYS   7 -15.242 -16.119   6.832
   49   2HD   LYS   7          1HD       LYS   7 -15.051 -16.778   5.208
   50   1HE   LYS   7          2HE       LYS   7 -15.623 -13.880   5.266
   51   2HE   LYS   7          1HE       LYS   7 -16.938 -14.901   5.878
   52   1HZ   LYS   7          1HZ       LYS   7 -15.451 -15.588   3.411
   53   2HZ   LYS   7          2HZ       LYS   7 -16.967 -16.152   3.917
   54   3HZ   LYS   7          3HZ       LYS   7 -16.799 -14.555   3.363
   55    H    TYR   8           H        TYR   8  -9.954 -15.127   7.860
   56    HA   TYR   8           HA       TYR   8  -9.418 -12.461   9.113
   57   1HB   TYR   8          1HB       TYR   8  -8.051 -15.126   8.940
   58   2HB   TYR   8          2HB       TYR   8  -7.064 -13.692   9.217
   59    HD1  TYR   8           HD1      TYR   8 -10.512 -14.587  10.382
   60    HD2  TYR   8           HD2      TYR   8  -6.466 -13.658  11.484
   61    HE1  TYR   8           HE1      TYR   8 -11.162 -14.623  12.771
   62    HE2  TYR   8           HE2      TYR   8  -7.114 -13.697  13.879
   63    HH   TYR   8           HH       TYR   8  -9.337 -15.056  15.160
   64    H    GLU   9           H        GLU   9  -7.425 -11.325   8.259
   65    HA   GLU   9           HA       GLU   9  -7.032 -11.789   5.321
   66   1HB   GLU   9          1HB       GLU   9  -8.583  -9.941   5.675
   67   2HB   GLU   9          2HB       GLU   9  -7.486  -9.201   6.839
   68   1HG   GLU   9          1HG       GLU   9  -5.901  -8.654   5.163
   69   2HG   GLU   9          2HG       GLU   9  -6.631  -9.760   3.998
   70    H    CYS  10           H        CYS  10  -4.874 -11.775   4.719
   71    HA   CYS  10           HA       CYS  10  -2.797 -11.589   6.749
   72   1HB   CYS  10          1HB       CYS  10  -2.985 -12.977   4.534
   73   2HB   CYS  10          2HB       CYS  10  -2.392 -11.510   3.776
   74    H    GLU  11           H        GLU  11  -2.226  -9.564   7.522
   75    HA   GLU  11           HA       GLU  11  -2.604  -7.119   6.015
   76   1HB   GLU  11          1HB       GLU  11  -1.804  -8.020   8.623
   77   2HB   GLU  11          2HB       GLU  11  -0.628  -6.840   8.047
   78   1HG   GLU  11          1HG       GLU  11  -3.626  -6.397   7.976
   79   2HG   GLU  11          2HG       GLU  11  -2.584  -5.823   9.278
   80    H    ALA  12           H        ALA  12  -0.259  -9.599   5.852
   81    HA   ALA  12           HA       ALA  12   1.996  -7.904   5.051
   82   1HB   ALA  12          1HB       ALA  12   1.384 -10.760   5.573
   83   2HB   ALA  12          2HB       ALA  12   2.698 -10.448   4.439
   84   3HB   ALA  12          3HB       ALA  12   2.773  -9.797   6.077
   85    H    CYS  13           H        CYS  13  -0.324 -10.101   3.372
   86    HA   CYS  13           HA       CYS  13   0.743  -8.956   0.816
   87   1HB   CYS  13          2HB       CYS  13   1.321 -11.370   1.439
   88   2HB   CYS  13          1HB       CYS  13   0.614 -11.126  -0.154
   89    H    GLY  14           H        GLY  14  -2.146 -10.158   2.488
   90   1HA   GLY  14          1HA       GLY  14  -4.201  -8.747   2.129
   91   2HA   GLY  14          2HA       GLY  14  -3.776  -8.731   0.418
   92    H    TYR  15           H        TYR  15  -3.278 -11.676   2.158
   93    HA   TYR  15           HA       TYR  15  -5.221 -13.087   0.483
   94   1HB   TYR  15          1HB       TYR  15  -3.056 -14.065   0.982
   95   2HB   TYR  15          2HB       TYR  15  -3.316 -13.867   2.714
   96    HD1  TYR  15           HD1      TYR  15  -4.969 -15.271   3.909
   97    HD2  TYR  15           HD2      TYR  15  -4.080 -15.882  -0.248
   98    HE1  TYR  15           HE1      TYR  15  -6.047 -17.500   4.008
   99    HE2  TYR  15           HE2      TYR  15  -5.158 -18.114  -0.151
  100    HH   TYR  15           HH       TYR  15  -6.827 -19.226   2.771
  101    H    ILE  16           H        ILE  16  -6.933 -14.466   1.467
  102    HA   ILE  16           HA       ILE  16  -7.921 -13.394   4.088
  103    HB   ILE  16           HB       ILE  16  -9.325 -13.932   1.459
  104   1HG1  ILE  16          2HG1      ILE  16  -8.910 -11.544   3.258
  105   2HG1  ILE  16          1HG1      ILE  16 -10.182 -11.568   2.038
  106   1HG2  ILE  16          1HG2      ILE  16 -10.505 -13.611   4.227
  107   2HG2  ILE  16          2HG2      ILE  16 -11.429 -13.276   2.762
  108   3HG2  ILE  16          3HG2      ILE  16 -10.810 -14.901   3.064
  109   1HD1  ILE  16          1HD1      ILE  16  -7.883 -12.502   0.719
  110   2HD1  ILE  16          2HD1      ILE  16  -8.635 -10.918   0.534
  111   3HD1  ILE  16          3HD1      ILE  16  -7.332 -11.144   1.700
  112    H    TYR  17           H        TYR  17  -8.020 -15.038   5.565
  113    HA   TYR  17           HA       TYR  17  -7.990 -17.853   4.682
  114   1HB   TYR  17          1HB       TYR  17  -6.545 -17.214   6.495
  115   2HB   TYR  17          2HB       TYR  17  -7.858 -16.393   7.337
  116    HD1  TYR  17           HD1      TYR  17  -6.806 -19.774   6.105
  117    HD2  TYR  17           HD2      TYR  17  -9.142 -17.541   8.938
  118    HE1  TYR  17           HE1      TYR  17  -7.367 -21.875   7.302
  119    HE2  TYR  17           HE2      TYR  17  -9.705 -19.643  10.130
  120    HH   TYR  17           HH       TYR  17  -9.409 -22.607   8.867
  121    H    GLU  18           H        GLU  18  -9.737 -19.239   4.815
  122    HA   GLU  18           HA       GLU  18 -12.319 -18.100   5.834
  123   1HB   GLU  18          1HB       GLU  18 -11.701 -20.128   3.662
  124   2HB   GLU  18          2HB       GLU  18 -13.326 -19.642   4.144
  125   1HG   GLU  18          1HG       GLU  18 -12.442 -17.214   3.696
  126   2HG   GLU  18          2HG       GLU  18 -11.208 -18.034   2.740
  127    HA   PRO  19           HA       PRO  19 -11.646 -21.515   8.715
  128   1HB   PRO  19          1HB       PRO  19 -13.688 -20.838  10.413
  129   2HB   PRO  19          2HB       PRO  19 -12.090 -20.088  10.457
  130   1HG   PRO  19          1HG       PRO  19 -14.628 -19.054   9.323
  131   2HG   PRO  19          2HG       PRO  19 -13.317 -18.193  10.133
  132   1HD   PRO  19          1HD       PRO  19 -13.695 -18.232   7.410
  133   2HD   PRO  19          2HD       PRO  19 -12.139 -17.916   8.205
  134    H    GLU  20           H        GLU  20 -15.057 -20.593   8.382
  135    HA   GLU  20           HA       GLU  20 -16.300 -23.058   8.554
  136   1HB   GLU  20          1HB       GLU  20 -17.342 -20.800   8.305
  137   2HB   GLU  20          2HB       GLU  20 -16.944 -20.839   6.589
  138   1HG   GLU  20          1HG       GLU  20 -18.802 -22.034   6.167
  139   2HG   GLU  20          2HG       GLU  20 -18.258 -23.293   7.277
  140    H    LYS  21           H        LYS  21 -14.412 -21.847   5.845
  141    HA   LYS  21           HA       LYS  21 -15.222 -24.169   4.165
  142   1HB   LYS  21          1HB       LYS  21 -15.120 -21.685   3.437
  143   2HB   LYS  21          2HB       LYS  21 -13.369 -21.897   3.438
  144   1HG   LYS  21          2HG       LYS  21 -13.657 -23.847   1.894
  145   2HG   LYS  21          1HG       LYS  21 -14.214 -22.327   1.193
  146   1HD   LYS  21          1HD       LYS  21 -15.880 -24.569   2.350
  147   2HD   LYS  21          2HD       LYS  21 -16.539 -22.954   2.089
  148   1HE   LYS  21          1HE       LYS  21 -15.505 -23.260  -0.333
  149   2HE   LYS  21          2HE       LYS  21 -15.642 -24.983   0.064
  150   1HZ   LYS  21          1HZ       LYS  21 -17.829 -22.993   0.404
  151   2HZ   LYS  21          2HZ       LYS  21 -17.698 -24.045  -0.923
  152   3HZ   LYS  21          3HZ       LYS  21 -17.941 -24.670   0.638
  153    H    GLY  22           H        GLY  22 -12.465 -22.806   5.883
  154   1HA   GLY  22          1HA       GLY  22 -10.547 -23.993   6.630
  155   2HA   GLY  22          2HA       GLY  22 -11.081 -25.386   5.692
  156    H    ASP  23           H        ASP  23  -8.414 -24.065   5.801
  157    HA   ASP  23           HA       ASP  23  -8.065 -22.803   3.169
  158   1HB   ASP  23          1HB       ASP  23  -6.850 -22.533   5.561
  159   2HB   ASP  23          2HB       ASP  23  -5.784 -23.741   4.846
  160    H    LYS  24           H        LYS  24  -9.093 -25.059   2.406
  161    HA   LYS  24           HA       LYS  24  -7.802 -27.508   2.342
  162   1HB   LYS  24          1HB       LYS  24  -9.861 -26.251   1.021
  163   2HB   LYS  24          2HB       LYS  24  -8.726 -26.566  -0.291
  164   1HG   LYS  24          1HG       LYS  24  -8.643 -28.932   0.291
  165   2HG   LYS  24          2HG       LYS  24  -9.662 -28.651   1.702
  166   1HD   LYS  24          1HD       LYS  24 -11.574 -28.450   0.448
  167   2HD   LYS  24          2HD       LYS  24 -10.728 -27.710  -0.910
  168   1HE   LYS  24          1HE       LYS  24 -10.304 -29.735  -1.900
  169   2HE   LYS  24          2HE       LYS  24 -10.000 -30.536  -0.346
  170   1HZ   LYS  24          1HZ       LYS  24 -12.696 -29.559  -1.071
  171   2HZ   LYS  24          2HZ       LYS  24 -12.170 -31.090  -1.576
  172   3HZ   LYS  24          3HZ       LYS  24 -12.269 -30.731   0.082
  173    H    PHE  25           H        PHE  25  -6.807 -24.563   0.684
  174    HA   PHE  25           HA       PHE  25  -4.899 -25.772  -1.113
  175   1HB   PHE  25          1HB       PHE  25  -5.528 -23.059  -0.003
  176   2HB   PHE  25          2HB       PHE  25  -3.995 -23.279  -0.848
  177    HD1  PHE  25           HD1      PHE  25  -3.991 -24.151  -3.210
  178    HD2  PHE  25           HD2      PHE  25  -7.602 -22.998  -1.189
  179    HE1  PHE  25           HE1      PHE  25  -5.171 -24.034  -5.387
  180    HE2  PHE  25           HE2      PHE  25  -8.783 -22.881  -3.368
  181    HZ   PHE  25           HZ       PHE  25  -7.567 -23.399  -5.466
  182    H    ALA  26           H        ALA  26  -4.816 -24.851   2.266
  183    HA   ALA  26           HA       ALA  26  -1.868 -25.279   2.401
  184   1HB   ALA  26          3HB       ALA  26  -2.804 -23.258   3.414
  185   2HB   ALA  26          1HB       ALA  26  -3.938 -24.226   4.355
  186   3HB   ALA  26          2HB       ALA  26  -2.209 -24.320   4.690
  187    H    GLY  27           H        GLY  27  -4.945 -26.655   3.417
  188   1HA   GLY  27          1HA       GLY  27  -4.828 -29.173   3.706
  189   2HA   GLY  27          2HA       GLY  27  -3.436 -28.872   4.742
  190    H    ILE  28           H        ILE  28  -5.960 -26.538   5.043
  191    HA   ILE  28           HA       ILE  28  -6.703 -27.760   7.667
  192    HB   ILE  28           HB       ILE  28  -6.880 -24.948   6.540
  193   1HG1  ILE  28          1HG1      ILE  28  -5.251 -25.632   8.929
  194   2HG1  ILE  28          2HG1      ILE  28  -4.652 -26.227   7.379
  195   1HG2  ILE  28          1HG2      ILE  28  -8.141 -26.220   8.853
  196   2HG2  ILE  28          2HG2      ILE  28  -7.145 -24.836   9.307
  197   3HG2  ILE  28          3HG2      ILE  28  -8.450 -24.636   8.139
  198   1HD1  ILE  28          1HD1      ILE  28  -5.560 -23.371   7.637
  199   2HD1  ILE  28          2HD1      ILE  28  -3.949 -23.832   8.187
  200   3HD1  ILE  28          3HD1      ILE  28  -4.407 -24.070   6.500
  201    HA   PRO  29           HA       PRO  29 -10.592 -28.605   5.579
  202   1HB   PRO  29          1HB       PRO  29 -11.857 -29.744   7.724
  203   2HB   PRO  29          2HB       PRO  29 -10.672 -30.608   6.725
  204   1HG   PRO  29          1HG       PRO  29 -10.322 -29.292   9.379
  205   2HG   PRO  29          2HG       PRO  29  -9.666 -30.826   8.790
  206   1HD   PRO  29          1HD       PRO  29  -8.213 -28.529   8.910
  207   2HD   PRO  29          2HD       PRO  29  -7.914 -29.805   7.711
  208    HA   PRO  30           HA       PRO  30 -13.249 -25.333   6.876
  209   1HB   PRO  30          1HB       PRO  30 -15.758 -26.409   6.735
  210   2HB   PRO  30          2HB       PRO  30 -14.799 -26.009   5.297
  211   1HG   PRO  30          2HG       PRO  30 -15.189 -28.250   4.907
  212   2HG   PRO  30          1HG       PRO  30 -15.223 -28.640   6.633
  213   1HD   PRO  30          1HD       PRO  30 -13.088 -29.376   6.215
  214   2HD   PRO  30          2HD       PRO  30 -12.888 -28.301   4.815
  215    H    GLY  31           H        GLY  31 -15.592 -25.312   8.328
  216   1HA   GLY  31          1HA       GLY  31 -16.272 -25.196  10.581
  217   2HA   GLY  31          2HA       GLY  31 -15.906 -26.920  10.579
  218    H    THR  32           H        THR  32 -13.493 -24.390  10.065
  219    HA   THR  32           HA       THR  32 -12.402 -24.919  12.799
  220    HB   THR  32           HB       THR  32 -10.896 -24.954  10.165
  221    HG1  THR  32           HG1      THR  32 -11.685 -26.906  10.210
  222   1HG2  THR  32          1HG2      THR  32 -10.078 -24.889  13.014
  223   2HG2  THR  32          2HG2      THR  32  -9.228 -26.050  11.993
  224   3HG2  THR  32          3HG2      THR  32  -9.213 -24.334  11.581
  225    HA   PRO  33           HA       PRO  33 -12.272 -20.443  12.412
  226   1HB   PRO  33          1HB       PRO  33 -11.415 -19.938  14.961
  227   2HB   PRO  33          2HB       PRO  33 -13.101 -20.324  14.568
  228   1HG   PRO  33          1HG       PRO  33 -10.963 -22.067  15.690
  229   2HG   PRO  33          2HG       PRO  33 -12.687 -22.007  16.080
  230   1HD   PRO  33          1HD       PRO  33 -11.552 -23.905  14.470
  231   2HD   PRO  33          2HD       PRO  33 -13.250 -23.397  14.352
  232    H    PHE  34           H        PHE  34 -10.554 -18.850  12.318
  233    HA   PHE  34           HA       PHE  34  -8.008 -19.777  11.471
  234   1HB   PHE  34          1HB       PHE  34  -8.797 -17.613  10.832
  235   2HB   PHE  34          2HB       PHE  34  -9.088 -17.141  12.497
  236    HD1  PHE  34           HD1      PHE  34  -7.224 -16.524  13.982
  237    HD2  PHE  34           HD2      PHE  34  -6.554 -17.589   9.875
  238    HE1  PHE  34           HE1      PHE  34  -4.932 -15.590  14.114
  239    HE2  PHE  34           HE2      PHE  34  -4.261 -16.655  10.007
  240    HZ   PHE  34           HZ       PHE  34  -3.450 -15.656  12.129
  241    H    VAL  35           H        VAL  35  -9.220 -18.955  14.676
  242    HA   VAL  35           HA       VAL  35  -6.726 -18.710  16.049
  243    HB   VAL  35           HB       VAL  35  -8.147 -19.088  18.025
  244   1HG1  VAL  35          1HG1      VAL  35  -8.279 -16.961  16.577
  245   2HG1  VAL  35          2HG1      VAL  35  -9.805 -17.610  15.977
  246   3HG1  VAL  35          3HG1      VAL  35  -9.614 -17.250  17.693
  247   1HG2  VAL  35          1HG2      VAL  35  -9.785 -20.484  16.000
  248   2HG2  VAL  35          2HG2      VAL  35  -9.660 -20.767  17.736
  249   3HG2  VAL  35          3HG2      VAL  35 -10.700 -19.481  17.126
  250    H    ASP  36           H        ASP  36  -8.265 -21.478  14.676
  251    HA   ASP  36           HA       ASP  36  -6.815 -23.360  16.470
  252   1HB   ASP  36          1HB       ASP  36  -9.231 -23.321  14.847
  253   2HB   ASP  36          2HB       ASP  36  -8.258 -24.755  14.514
  254    H    LEU  37           H        LEU  37  -6.088 -21.670  13.685
  255    HA   LEU  37           HA       LEU  37  -5.068 -23.532  11.838
  256   1HB   LEU  37          1HB       LEU  37  -4.309 -20.759  12.739
  257   2HB   LEU  37          2HB       LEU  37  -3.356 -21.571  11.497
  258    HG   LEU  37           HG       LEU  37  -6.353 -21.098  11.394
  259   1HD1  LEU  37          1HD1      LEU  37  -4.768 -19.100  11.083
  260   2HD1  LEU  37          2HD1      LEU  37  -4.221 -19.907   9.613
  261   3HD1  LEU  37          3HD1      LEU  37  -5.906 -19.415   9.773
  262   1HD2  LEU  37          1HD2      LEU  37  -4.430 -22.672   9.745
  263   2HD2  LEU  37          2HD2      LEU  37  -6.136 -22.973  10.077
  264   3HD2  LEU  37          3HD2      LEU  37  -5.670 -21.760   8.884
  265    H    SER  38           H        SER  38  -2.644 -23.973  11.494
  266    HA   SER  38           HA       SER  38  -1.564 -25.457  13.674
  267   1HB   SER  38          1HB       SER  38  -0.866 -26.049  11.510
  268   2HB   SER  38          2HB       SER  38  -0.554 -24.374  11.053
  269    HG   SER  38           HG       SER  38   1.398 -25.377  11.439
  270    H    ASP  39           H        ASP  39   0.288 -24.986  15.010
  271    HA   ASP  39           HA       ASP  39   0.392 -22.460  16.254
  272   1HB   ASP  39          1HB       ASP  39   2.631 -23.325  17.065
  273   2HB   ASP  39          2HB       ASP  39   1.300 -24.464  17.262
  274    H    SER  40           H        SER  40   2.336 -23.711  13.550
  275    HA   SER  40           HA       SER  40   3.443 -20.948  13.173
  276   1HB   SER  40          1HB       SER  40   5.438 -22.068  12.318
  277   2HB   SER  40          2HB       SER  40   5.030 -22.748  13.893
  278    HG   SER  40           HG       SER  40   4.878 -23.875  11.361
  279    H    PHE  41           H        PHE  41   0.939 -21.671  12.025
  280    HA   PHE  41           HA       PHE  41   1.110 -22.733   9.373
  281   1HB   PHE  41          1HB       PHE  41  -0.995 -22.564  10.506
  282   2HB   PHE  41          2HB       PHE  41  -0.776 -20.854  10.820
  283    HD1  PHE  41           HD1      PHE  41  -1.580 -23.384   8.254
  284    HD2  PHE  41           HD2      PHE  41  -1.177 -19.187   9.082
  285    HE1  PHE  41           HE1      PHE  41  -2.726 -22.850   6.121
  286    HE2  PHE  41           HE2      PHE  41  -2.321 -18.656   6.950
  287    HZ   PHE  41           HZ       PHE  41  -3.096 -20.487   5.468
  288    H    MET  42           H        MET  42   1.685 -21.748   7.440
  289    HA   MET  42           HA       MET  42   2.543 -18.879   7.585
  290   1HB   MET  42          1HB       MET  42   3.372 -21.072   5.654
  291   2HB   MET  42          2HB       MET  42   4.112 -19.481   5.819
  292   1HG   MET  42          1HG       MET  42   3.972 -21.424   8.131
  293   2HG   MET  42          2HG       MET  42   5.314 -21.423   6.988
  294   1HE   MET  42          1HE       MET  42   6.927 -20.227   6.760
  295   2HE   MET  42          2HE       MET  42   6.689 -18.486   6.623
  296   3HE   MET  42          3HE       MET  42   7.644 -19.136   7.953
  297    H    CYS  43           H        CYS  43   2.207 -17.669   5.502
  298    HA   CYS  43           HA       CYS  43  -0.512 -18.019   4.527
  299   1HB   CYS  43          1HB       CYS  43   0.841 -15.877   4.927
  300   2HB   CYS  43          2HB       CYS  43   1.679 -16.260   3.423
  301    HA   PRO  44           HA       PRO  44   0.743 -20.629   1.131
  302   1HB   PRO  44          1HB       PRO  44  -1.663 -20.705  -0.168
  303   2HB   PRO  44          2HB       PRO  44  -1.323 -21.653   1.291
  304   1HG   PRO  44          1HG       PRO  44  -2.854 -19.124   0.983
  305   2HG   PRO  44          2HG       PRO  44  -3.144 -20.496   2.062
  306   1HD   PRO  44          1HD       PRO  44  -1.990 -18.115   2.830
  307   2HD   PRO  44          2HD       PRO  44  -1.772 -19.658   3.679
  308    H    ALA  45           H        ALA  45  -0.015 -17.344   1.047
  309    HA   ALA  45           HA       ALA  45   0.447 -17.191  -1.907
  310   1HB   ALA  45          2HB       ALA  45  -0.641 -14.890  -0.373
  311   2HB   ALA  45          1HB       ALA  45  -1.681 -16.310  -0.491
  312   3HB   ALA  45          3HB       ALA  45  -1.114 -15.508  -1.956
  313    H    CYS  46           H        CYS  46   1.388 -15.892   1.267
  314    HA   CYS  46           HA       CYS  46   3.755 -14.677  -0.094
  315   1HB   CYS  46          1HB       CYS  46   3.389 -12.639   0.954
  316   2HB   CYS  46          2HB       CYS  46   1.734 -13.188   0.733
  317    H    ARG  47           H        ARG  47   2.929 -17.101   1.891
  318    HA   ARG  47           HA       ARG  47   4.111 -18.393   3.469
  319   1HB   ARG  47          1HB       ARG  47   5.826 -17.376   1.559
  320   2HB   ARG  47          2HB       ARG  47   6.625 -16.931   3.068
  321   1HG   ARG  47          1HG       ARG  47   5.550 -19.662   3.096
  322   2HG   ARG  47          2HG       ARG  47   6.772 -19.414   1.849
  323   1HD   ARG  47          1HD       ARG  47   7.499 -18.183   4.419
  324   2HD   ARG  47          2HD       ARG  47   7.327 -19.946   4.506
  325    HE   ARG  47           HE       ARG  47   8.724 -19.604   2.165
  326   1HH1  ARG  47          1HH1      ARG  47   9.869 -17.062   2.962
  327   2HH1  ARG  47          2HH1      ARG  47  11.246 -17.504   3.915
  328   1HH2  ARG  47          1HH2      ARG  47  10.175 -20.760   4.433
  329   2HH2  ARG  47          2HH2      ARG  47  11.420 -19.597   4.747
  330    H    SER  48           H        SER  48   3.174 -15.446   4.222
  331    HA   SER  48           HA       SER  48   5.015 -14.619   6.309
  332   1HB   SER  48          1HB       SER  48   3.579 -12.971   5.389
  333   2HB   SER  48          2HB       SER  48   2.163 -14.014   5.521
  334    HG   SER  48           HG       SER  48   1.968 -13.536   7.576
  335    HA   PRO  49           HA       PRO  49   3.783 -17.354   9.535
  336   1HB   PRO  49          1HB       PRO  49   3.967 -15.713  11.728
  337   2HB   PRO  49          2HB       PRO  49   5.382 -16.382  10.891
  338   1HG   PRO  49          2HG       PRO  49   5.844 -14.118  10.736
  339   2HG   PRO  49          1HG       PRO  49   4.132 -13.677  10.647
  340   1HD   PRO  49          1HD       PRO  49   4.629 -13.508   8.402
  341   2HD   PRO  49          2HD       PRO  49   5.940 -14.703   8.504
  342    H    LYS  50           H        LYS  50   1.827 -17.968  10.479
  343    HA   LYS  50           HA       LYS  50  -0.612 -16.761   9.831
  344   1HB   LYS  50          1HB       LYS  50  -0.189 -19.063  10.737
  345   2HB   LYS  50          2HB       LYS  50   0.072 -18.349  12.328
  346   1HG   LYS  50          1HG       LYS  50  -2.299 -17.236  11.798
  347   2HG   LYS  50          2HG       LYS  50  -2.462 -18.667  10.782
  348   1HD   LYS  50          1HD       LYS  50  -2.425 -20.118  12.579
  349   2HD   LYS  50          2HD       LYS  50  -1.419 -19.048  13.556
  350   1HE   LYS  50          1HE       LYS  50  -3.357 -17.528  13.876
  351   2HE   LYS  50          2HE       LYS  50  -4.366 -18.635  12.926
  352   1HZ   LYS  50          1HZ       LYS  50  -3.538 -20.419  14.499
  353   2HZ   LYS  50          2HZ       LYS  50  -2.979 -19.161  15.495
  354   3HZ   LYS  50          3HZ       LYS  50  -4.637 -19.306  15.154
  355    H    ASN  51           H        ASN  51   1.595 -15.898  12.421
  356    HA   ASN  51           HA       ASN  51  -0.281 -14.423  14.032
  357   1HB   ASN  51          1HB       ASN  51   2.088 -15.249  14.573
  358   2HB   ASN  51          2HB       ASN  51   2.671 -13.858  13.657
  359   2HD2  ASN  51          2HD2      ASN  51   3.514 -12.717  15.521
  360   1HD2  ASN  51          1HD2      ASN  51   2.501 -12.082  16.725
  361    H    GLN  52           H        GLN  52   1.019 -13.818  10.918
  362    HA   GLN  52           HA       GLN  52   0.836 -10.884  11.114
  363   1HB   GLN  52          1HB       GLN  52   2.073 -12.866   9.473
  364   2HB   GLN  52          2HB       GLN  52   1.030 -11.894   8.435
  365   1HG   GLN  52          2HG       GLN  52   3.270 -10.884   8.580
  366   2HG   GLN  52          1HG       GLN  52   3.142 -10.830  10.339
  367   2HE2  GLN  52          2HE2      GLN  52   0.531 -10.081   7.999
  368   1HE2  GLN  52          1HE2      GLN  52   0.363  -8.461   8.468
  369    H    PHE  53           H        PHE  53  -1.399 -13.385  10.797
  370    HA   PHE  53           HA       PHE  53  -3.141 -12.060   8.820
  371   1HB   PHE  53          1HB       PHE  53  -3.272 -14.504  10.594
  372   2HB   PHE  53          2HB       PHE  53  -4.649 -13.996   9.619
  373    HD1  PHE  53           HD1      PHE  53  -0.962 -14.615   9.296
  374    HD2  PHE  53           HD2      PHE  53  -4.831 -14.803   7.440
  375    HE1  PHE  53           HE1      PHE  53   0.042 -15.717   7.315
  376    HE2  PHE  53           HE2      PHE  53  -3.827 -15.907   5.459
  377    HZ   PHE  53           HZ       PHE  53  -1.391 -16.365   5.399
  378    H    LYS  54           H        LYS  54  -4.812 -10.680   9.361
  379    HA   LYS  54           HA       LYS  54  -5.440 -10.357  12.277
  380   1HB   LYS  54          1HB       LYS  54  -4.189  -8.542  10.850
  381   2HB   LYS  54          2HB       LYS  54  -5.789  -8.221  10.180
  382   1HG   LYS  54          1HG       LYS  54  -5.591  -8.431  13.146
  383   2HG   LYS  54          2HG       LYS  54  -4.886  -6.995  12.400
  384   1HD   LYS  54          1HD       LYS  54  -7.232  -7.102  11.055
  385   2HD   LYS  54          2HD       LYS  54  -7.731  -7.836  12.579
  386   1HE   LYS  54          1HE       LYS  54  -6.297  -5.732  13.530
  387   2HE   LYS  54          2HE       LYS  54  -6.901  -5.039  12.013
  388   1HZ   LYS  54          1HZ       LYS  54  -8.662  -6.608  13.800
  389   2HZ   LYS  54          2HZ       LYS  54  -8.429  -4.943  14.052
  390   3HZ   LYS  54          3HZ       LYS  54  -9.100  -5.500  12.595
  391    H    SER  55           H        SER  55  -7.623 -10.421  12.821
  392    HA   SER  55           HA       SER  55  -9.500 -11.608  11.024
  393   1HB   SER  55          1HB       SER  55 -11.110 -10.979  12.858
  394   2HB   SER  55          2HB       SER  55  -9.675 -11.816  13.422
  395    HG   SER  55           HG       SER  55 -10.277  -9.069  13.558
  396    H    ILE  56           H        ILE  56 -11.727 -10.501  10.759
  397    HA   ILE  56           HA       ILE  56 -11.684  -7.602  10.250
  398    HB   ILE  56           HB       ILE  56 -12.298  -8.088   7.780
  399   1HG1  ILE  56          1HG1      ILE  56 -10.894 -10.688   8.461
  400   2HG1  ILE  56          2HG1      ILE  56 -12.620 -10.541   8.123
  401   1HG2  ILE  56          1HG2      ILE  56 -10.057  -7.234   8.787
  402   2HG2  ILE  56          2HG2      ILE  56  -9.468  -8.864   8.461
  403   3HG2  ILE  56          3HG2      ILE  56 -10.048  -7.856   7.135
  404   1HD1  ILE  56          1HD1      ILE  56 -11.509  -9.237   5.972
  405   2HD1  ILE  56          2HD1      ILE  56 -10.329 -10.512   6.271
  406   3HD1  ILE  56          3HD1      ILE  56 -12.013 -10.928   5.966
  407    H    LYS  57           H        LYS  57 -13.506  -7.686  11.708
  408    HA   LYS  57           HA       LYS  57 -15.918  -9.145  10.718
  409   1HB   LYS  57          1HB       LYS  57 -15.004  -8.018  13.371
  410   2HB   LYS  57          2HB       LYS  57 -16.672  -8.533  13.112
  411   1HG   LYS  57          1HG       LYS  57 -15.854 -10.778  12.439
  412   2HG   LYS  57          2HG       LYS  57 -14.198 -10.256  12.754
  413   1HD   LYS  57          2HD       LYS  57 -15.539  -9.559  15.082
  414   2HD   LYS  57          1HD       LYS  57 -14.530 -10.989  14.871
  415   1HE   LYS  57          1HE       LYS  57 -17.248 -11.338  13.801
  416   2HE   LYS  57          2HE       LYS  57 -16.337 -12.373  14.918
  417   1HZ   LYS  57          1HZ       LYS  57 -17.369  -9.730  15.759
  418   2HZ   LYS  57          2HZ       LYS  57 -18.355 -11.112  15.841
  419   3HZ   LYS  57          3HZ       LYS  57 -16.914 -11.047  16.731
  420    H    LYS  58           H        LYS  58 -15.820  -7.207   9.061
  421    HA   LYS  58           HA       LYS  58 -17.785  -5.203   9.982
  422   1HB   LYS  58          1HB       LYS  58 -14.990  -4.725   9.995
  423   2HB   LYS  58          2HB       LYS  58 -15.639  -3.828   8.622
  424   1HG   LYS  58          1HG       LYS  58 -17.133  -2.597   9.992
  425   2HG   LYS  58          2HG       LYS  58 -16.950  -3.718  11.342
  426   1HD   LYS  58          1HD       LYS  58 -14.452  -2.430  10.394
  427   2HD   LYS  58          2HD       LYS  58 -15.615  -1.358  11.173
  428   1HE   LYS  58          1HE       LYS  58 -15.585  -2.630  13.195
  429   2HE   LYS  58          2HE       LYS  58 -14.767  -3.993  12.411
  430   1HZ   LYS  58          1HZ       LYS  58 -13.577  -1.285  12.415
  431   2HZ   LYS  58          2HZ       LYS  58 -13.336  -2.336  13.729
  432   3HZ   LYS  58          3HZ       LYS  58 -12.808  -2.778  12.175
  433    H    VAL  59           H        VAL  59 -19.006  -4.415   8.234
  434    HA   VAL  59           HA       VAL  59 -18.144  -5.256   5.489
  435    HB   VAL  59           HB       VAL  59 -20.489  -5.958   5.116
  436   1HG1  VAL  59          1HG1      VAL  59 -19.220  -7.140   7.606
  437   2HG1  VAL  59          2HG1      VAL  59 -20.472  -7.919   6.637
  438   3HG1  VAL  59          3HG1      VAL  59 -18.879  -7.619   5.944
  439   1HG2  VAL  59          1HG2      VAL  59 -20.796  -5.145   8.021
  440   2HG2  VAL  59          2HG2      VAL  59 -21.621  -4.436   6.634
  441   3HG2  VAL  59          3HG2      VAL  59 -21.989  -6.088   7.128
  442    H    ILE  60           H        ILE  60 -18.834  -3.829   3.817
  443    HA   ILE  60           HA       ILE  60 -20.468  -1.464   4.538
  444    HB   ILE  60           HB       ILE  60 -18.169  -0.902   5.202
  445   1HG1  ILE  60          1HG1      ILE  60 -18.469   0.530   2.593
  446   2HG1  ILE  60          2HG1      ILE  60 -19.773   0.674   3.770
  447   1HG2  ILE  60          1HG2      ILE  60 -17.513  -2.483   2.958
  448   2HG2  ILE  60          2HG2      ILE  60 -16.962  -0.852   2.575
  449   3HG2  ILE  60          3HG2      ILE  60 -16.393  -1.653   4.039
  450   1HD1  ILE  60          1HD1      ILE  60 -17.814   1.160   5.457
  451   2HD1  ILE  60          2HD1      ILE  60 -16.913   1.564   3.997
  452   3HD1  ILE  60          3HD1      ILE  60 -18.388   2.446   4.395
  453    H    ALA  61           H        ALA  61 -21.692  -2.903   2.871
  454    HA   ALA  61           HA       ALA  61 -21.271  -1.730   0.197
  455   1HB   ALA  61          2HB       ALA  61 -21.511  -4.500  -0.285
  456   2HB   ALA  61          3HB       ALA  61 -20.078  -3.504  -0.533
  457   3HB   ALA  61          1HB       ALA  61 -20.313  -4.344   0.999
  458    H    GLY  62           H        GLY  62 -23.434  -0.907   0.976
  459   1HA   GLY  62          1HA       GLY  62 -25.622  -2.002  -0.293
  460   2HA   GLY  62          2HA       GLY  62 -25.621  -2.815   1.273
  461    H    PHE  63           H        PHE  63 -26.287  -1.656   3.088
  462    HA   PHE  63           HA       PHE  63 -26.705   1.280   2.833
  463   1HB   PHE  63          1HB       PHE  63 -28.689  -0.488   2.197
  464   2HB   PHE  63          2HB       PHE  63 -28.995  -0.254   3.918
  465    HD1  PHE  63           HD1      PHE  63 -27.983   1.860   0.978
  466    HD2  PHE  63           HD2      PHE  63 -30.483   1.454   4.447
  467    HE1  PHE  63           HE1      PHE  63 -29.014   4.063   0.493
  468    HE2  PHE  63           HE2      PHE  63 -31.514   3.655   3.963
  469    HZ   PHE  63           HZ       PHE  63 -30.780   4.961   1.985
  470    H    ALA  64           H        ALA  64 -28.303   1.485   5.184
  471    HA   ALA  64           HA       ALA  64 -26.234   1.057   7.240
  472   1HB   ALA  64          1HB       ALA  64 -28.909   2.447   7.042
  473   2HB   ALA  64          2HB       ALA  64 -28.076   2.290   8.588
  474   3HB   ALA  64          3HB       ALA  64 -27.315   3.169   7.262
  475    H    GLU  65           H        GLU  65 -26.886  -1.449   6.607
  476    HA   GLU  65           HA       GLU  65 -28.786  -2.311   8.763
  477   1HB   GLU  65          1HB       GLU  65 -29.459  -4.124   7.193
  478   2HB   GLU  65          2HB       GLU  65 -29.783  -2.525   6.523
  479   1HG   GLU  65          1HG       GLU  65 -27.647  -2.636   5.267
  480   2HG   GLU  65          2HG       GLU  65 -27.366  -4.254   5.911
  481    H    ASN  66           H        ASN  66 -28.327  -5.044   8.599
  482    HA   ASN  66           HA       ASN  66 -25.500  -5.703   8.444
  483   1HB   ASN  66          1HB       ASN  66 -25.818  -4.188  10.501
  484   2HB   ASN  66          2HB       ASN  66 -26.694  -5.540  11.219
  485   2HD2  ASN  66          2HD2      ASN  66 -23.522  -4.739   9.714
  486   1HD2  ASN  66          1HD2      ASN  66 -22.643  -5.893  10.594
  487    H    GLN  67           H        GLN  67 -28.658  -6.498   9.895
  488    HA   GLN  67           HA       GLN  67 -28.067  -9.388   9.340
  489   1HB   GLN  67          1HB       GLN  67 -28.775  -7.969  11.736
  490   2HB   GLN  67          2HB       GLN  67 -30.085  -9.077  11.328
  491   1HG   GLN  67          1HG       GLN  67 -28.011 -10.721  10.879
  492   2HG   GLN  67          2HG       GLN  67 -27.258  -9.669  12.077
  493   2HE2  GLN  67          2HE2      GLN  67 -30.565 -11.089  11.693
  494   1HE2  GLN  67          1HE2      GLN  67 -30.649 -11.684  13.279
  495    H    LYS  68           H        LYS  68 -30.642 -10.366   9.777
  496    HA   LYS  68           HA       LYS  68 -32.185  -9.042   7.573
  497   1HB   LYS  68          1HB       LYS  68 -31.791 -11.892   8.487
  498   2HB   LYS  68          2HB       LYS  68 -33.154 -11.452   7.457
  499   1HG   LYS  68          1HG       LYS  68 -31.538 -10.437   5.837
  500   2HG   LYS  68          2HG       LYS  68 -30.214 -11.034   6.838
  501   1HD   LYS  68          1HD       LYS  68 -30.766 -13.300   6.407
  502   2HD   LYS  68          2HD       LYS  68 -32.367 -12.879   5.798
  503   1HE   LYS  68          2HE       LYS  68 -30.854 -11.461   4.058
  504   2HE   LYS  68          1HE       LYS  68 -31.279 -13.159   3.767
  505   1HZ   LYS  68          1HZ       LYS  68 -29.254 -13.688   5.178
  506   2HZ   LYS  68          2HZ       LYS  68 -28.943 -13.075   3.623
  507   3HZ   LYS  68          3HZ       LYS  68 -28.802 -12.062   4.976
  508    H    TYR  69           H        TYR  69 -32.334 -10.351  10.841
  509    HA   TYR  69           HA       TYR  69 -35.177  -9.403  11.036
  510   1HB   TYR  69          1HB       TYR  69 -34.301 -11.954  11.237
  511   2HB   TYR  69          2HB       TYR  69 -34.085 -11.445  12.911
  512    HD1  TYR  69           HD1      TYR  69 -36.642 -10.897  10.205
  513    HD2  TYR  69           HD2      TYR  69 -35.876 -11.931  14.303
  514    HE1  TYR  69           HE1      TYR  69 -39.078 -11.146  10.597
  515    HE2  TYR  69           HE2      TYR  69 -38.312 -12.179  14.697
  516    HH   TYR  69           HH       TYR  69 -40.359 -11.897  13.833
  517    H    GLY  70           H        GLY  70 -33.765  -7.333  11.557
  518   1HA   GLY  70          1HA       GLY  70 -33.416  -5.765  13.297
  519   2HA   GLY  70          2HA       GLY  70 -33.763  -7.038  14.467

  No H/Q in entry =         519
  Start of MODEL    7
    1    H1   MET   1          1H        MET   1 -18.360  -5.297   2.778
    2    H2   MET   1          2H        MET   1 -18.655  -6.383   1.510
    3    H3   MET   1          3H        MET   1 -18.439  -4.731   1.179
    4    HA   MET   1           HA       MET   1 -20.501  -4.148   2.162
    5   1HB   MET   1          1HB       MET   1 -20.217  -6.327   0.187
    6   2HB   MET   1          2HB       MET   1 -21.831  -6.179   0.883
    7   1HG   MET   1          1HG       MET   1 -21.964  -3.851   0.230
    8   2HG   MET   1          2HG       MET   1 -20.278  -3.854  -0.289
    9   1HE   MET   1          1HE       MET   1 -19.293  -4.951  -1.996
   10   2HE   MET   1          2HE       MET   1 -20.026  -5.379  -3.540
   11   3HE   MET   1          3HE       MET   1 -20.040  -3.702  -3.002
   12    H    GLU   2           H        GLU   2 -20.098  -4.757   4.512
   13    HA   GLU   2           HA       GLU   2 -20.764  -5.882   6.477
   14   1HB   GLU   2          1HB       GLU   2 -22.928  -5.277   5.245
   15   2HB   GLU   2          2HB       GLU   2 -22.962  -6.951   4.690
   16   1HG   GLU   2          1HG       GLU   2 -23.350  -7.790   6.819
   17   2HG   GLU   2          2HG       GLU   2 -22.568  -6.424   7.612
   18    H    ILE   3           H        ILE   3 -19.027  -7.396   6.625
   19    HA   ILE   3           HA       ILE   3 -19.792 -10.197   6.023
   20    HB   ILE   3           HB       ILE   3 -17.505 -10.495   4.924
   21   1HG1  ILE   3          1HG1      ILE   3 -17.520  -7.591   4.272
   22   2HG1  ILE   3          2HG1      ILE   3 -16.953  -8.032   5.883
   23   1HG2  ILE   3          1HG2      ILE   3 -19.884 -10.006   3.824
   24   2HG2  ILE   3          2HG2      ILE   3 -19.066  -8.537   3.294
   25   3HG2  ILE   3          3HG2      ILE   3 -18.424 -10.116   2.841
   26   1HD1  ILE   3          1HD1      ILE   3 -15.810  -9.868   4.011
   27   2HD1  ILE   3          2HD1      ILE   3 -15.547  -8.233   3.403
   28   3HD1  ILE   3          3HD1      ILE   3 -14.981  -8.676   5.013
   29    H    ASP   4           H        ASP   4 -18.894 -11.619   7.533
   30    HA   ASP   4           HA       ASP   4 -16.496 -11.200   9.010
   31   1HB   ASP   4          1HB       ASP   4 -17.551 -10.600  11.186
   32   2HB   ASP   4          2HB       ASP   4 -17.709  -9.319   9.984
   33    H    GLU   5           H        GLU   5 -16.075 -13.304   9.192
   34    HA   GLU   5           HA       GLU   5 -17.850 -15.064  10.751
   35   1HB   GLU   5          1HB       GLU   5 -17.728 -14.996   7.831
   36   2HB   GLU   5          2HB       GLU   5 -17.354 -16.596   8.470
   37   1HG   GLU   5          1HG       GLU   5 -19.457 -16.138  10.001
   38   2HG   GLU   5          2HG       GLU   5 -19.878 -14.994   8.727
   39    H    GLY   6           H        GLY   6 -15.000 -13.973  10.724
   40   1HA   GLY   6          1HA       GLY   6 -13.109 -15.021  11.798
   41   2HA   GLY   6          2HA       GLY   6 -13.679 -16.584  11.223
   42    H    LYS   7           H        LYS   7 -13.634 -13.892   9.019
   43    HA   LYS   7           HA       LYS   7 -11.702 -15.299   7.303
   44   1HB   LYS   7          1HB       LYS   7 -13.374 -12.783   7.128
   45   2HB   LYS   7          2HB       LYS   7 -12.242 -13.241   5.855
   46   1HG   LYS   7          1HG       LYS   7 -13.435 -15.540   5.903
   47   2HG   LYS   7          2HG       LYS   7 -14.709 -14.704   6.790
   48   1HD   LYS   7          1HD       LYS   7 -13.719 -13.376   4.318
   49   2HD   LYS   7          2HD       LYS   7 -14.671 -14.844   4.096
   50   1HE   LYS   7          1HE       LYS   7 -16.233 -13.626   5.921
   51   2HE   LYS   7          2HE       LYS   7 -15.507 -12.190   5.176
   52   1HZ   LYS   7          1HZ       LYS   7 -15.985 -13.362   2.984
   53   2HZ   LYS   7          2HZ       LYS   7 -17.014 -14.382   3.870
   54   3HZ   LYS   7          3HZ       LYS   7 -17.319 -12.712   3.804
   55    H    TYR   8           H        TYR   8  -9.541 -14.731   7.102
   56    HA   TYR   8           HA       TYR   8  -8.664 -12.231   8.525
   57   1HB   TYR   8          1HB       TYR   8  -7.672 -15.070   8.534
   58   2HB   TYR   8          2HB       TYR   8  -6.536 -13.760   8.851
   59    HD1  TYR   8           HD1      TYR   8  -9.977 -14.874   9.855
   60    HD2  TYR   8           HD2      TYR   8  -6.296 -13.016  11.050
   61    HE1  TYR   8           HE1      TYR   8 -10.825 -14.702  12.176
   62    HE2  TYR   8           HE2      TYR   8  -7.140 -12.849  13.377
   63    HH   TYR   8           HH       TYR   8  -8.884 -14.125  14.796
   64    H    GLU   9           H        GLU   9  -7.326 -10.902   7.342
   65    HA   GLU   9           HA       GLU   9  -6.538 -11.813   4.611
   66   1HB   GLU   9          1HB       GLU   9  -7.986  -9.803   4.919
   67   2HB   GLU   9          2HB       GLU   9  -6.698  -9.049   5.859
   68   1HG   GLU   9          1HG       GLU   9  -5.277  -8.864   3.989
   69   2HG   GLU   9          2HG       GLU   9  -6.166 -10.084   3.079
   70    H    CYS  10           H        CYS  10  -4.353 -11.872   4.040
   71    HA   CYS  10           HA       CYS  10  -2.360 -11.752   6.180
   72   1HB   CYS  10          1HB       CYS  10  -2.562 -13.288   4.070
   73   2HB   CYS  10          2HB       CYS  10  -1.818 -11.939   3.232
   74    H    GLU  11           H        GLU  11  -1.649  -9.736   6.833
   75    HA   GLU  11           HA       GLU  11  -1.740  -7.377   5.156
   76   1HB   GLU  11          1HB       GLU  11  -1.128  -8.167   7.848
   77   2HB   GLU  11          2HB       GLU  11   0.181  -7.149   7.252
   78   1HG   GLU  11          1HG       GLU  11  -1.927  -5.734   6.332
   79   2HG   GLU  11          2HG       GLU  11  -2.675  -6.471   7.748
   80    H    ALA  12           H        ALA  12   0.376 -10.062   5.264
   81    HA   ALA  12           HA       ALA  12   2.801  -8.635   4.447
   82   1HB   ALA  12          1HB       ALA  12   1.929 -11.307   5.280
   83   2HB   ALA  12          2HB       ALA  12   3.153 -11.346   4.012
   84   3HB   ALA  12          3HB       ALA  12   3.481 -10.506   5.528
   85    H    CYS  13           H        CYS  13   0.379 -10.765   2.825
   86    HA   CYS  13           HA       CYS  13   1.620  -9.883   0.245
   87   1HB   CYS  13          2HB       CYS  13   1.968 -12.285   1.015
   88   2HB   CYS  13          1HB       CYS  13   1.294 -12.093  -0.598
   89    H    GLY  14           H        GLY  14  -1.419 -10.671   1.899
   90   1HA   GLY  14          1HA       GLY  14  -3.320  -9.121   1.370
   91   2HA   GLY  14          2HA       GLY  14  -2.834  -9.241  -0.320
   92    H    TYR  15           H        TYR  15  -2.674 -12.123   1.579
   93    HA   TYR  15           HA       TYR  15  -4.751 -13.378  -0.084
   94   1HB   TYR  15          1HB       TYR  15  -2.670 -14.549   0.387
   95   2HB   TYR  15          2HB       TYR  15  -2.899 -14.339   2.122
   96    HD1  TYR  15           HD1      TYR  15  -4.100 -16.108  -0.896
   97    HD2  TYR  15           HD2      TYR  15  -4.465 -15.706   3.365
   98    HE1  TYR  15           HE1      TYR  15  -5.410 -18.212  -0.810
   99    HE2  TYR  15           HE2      TYR  15  -5.776 -17.808   3.452
  100    HH   TYR  15           HH       TYR  15  -5.852 -19.997   1.762
  101    H    ILE  16           H        ILE  16  -6.423 -14.787   1.110
  102    HA   ILE  16           HA       ILE  16  -7.318 -13.498   3.662
  103    HB   ILE  16           HB       ILE  16  -8.830 -14.052   1.096
  104   1HG1  ILE  16          1HG1      ILE  16  -9.514 -11.586   1.708
  105   2HG1  ILE  16          2HG1      ILE  16  -8.066 -11.639   2.712
  106   1HG2  ILE  16          1HG2      ILE  16 -10.166 -14.844   3.048
  107   2HG2  ILE  16          2HG2      ILE  16  -9.997 -13.249   3.781
  108   3HG2  ILE  16          3HG2      ILE  16 -10.889 -13.436   2.271
  109   1HD1  ILE  16          1HD1      ILE  16  -7.566 -12.754   0.071
  110   2HD1  ILE  16          2HD1      ILE  16  -8.165 -11.098  -0.033
  111   3HD1  ILE  16          3HD1      ILE  16  -6.719 -11.455   0.912
  112    H    TYR  17           H        TYR  17  -7.289 -15.128   5.165
  113    HA   TYR  17           HA       TYR  17  -7.452 -17.944   4.445
  114   1HB   TYR  17          1HB       TYR  17  -6.101 -17.256   6.312
  115   2HB   TYR  17          2HB       TYR  17  -7.437 -16.358   7.030
  116    HD1  TYR  17           HD1      TYR  17  -6.415 -19.821   6.028
  117    HD2  TYR  17           HD2      TYR  17  -8.857 -17.391   8.598
  118    HE1  TYR  17           HE1      TYR  17  -7.119 -21.846   7.276
  119    HE2  TYR  17           HE2      TYR  17  -9.560 -19.418   9.845
  120    HH   TYR  17           HH       TYR  17  -9.143 -21.614  10.177
  121    H    GLU  18           H        GLU  18  -9.252 -19.252   4.489
  122    HA   GLU  18           HA       GLU  18 -11.856 -18.002   5.292
  123   1HB   GLU  18          1HB       GLU  18 -11.108 -20.144   3.277
  124   2HB   GLU  18          2HB       GLU  18 -12.769 -19.686   3.649
  125   1HG   GLU  18          1HG       GLU  18 -12.365 -17.409   2.902
  126   2HG   GLU  18          2HG       GLU  18 -10.648 -17.745   2.684
  127    HA   PRO  19           HA       PRO  19 -11.410 -21.202   8.447
  128   1HB   PRO  19          1HB       PRO  19 -13.562 -20.406   9.947
  129   2HB   PRO  19          2HB       PRO  19 -11.962 -19.660  10.052
  130   1HG   PRO  19          1HG       PRO  19 -14.403 -18.712   8.644
  131   2HG   PRO  19          2HG       PRO  19 -13.171 -17.793   9.512
  132   1HD   PRO  19          1HD       PRO  19 -13.293 -17.983   6.783
  133   2HD   PRO  19          2HD       PRO  19 -11.799 -17.669   7.688
  134    H    GLU  20           H        GLU  20 -14.850 -20.421   8.073
  135    HA   GLU  20           HA       GLU  20 -15.971 -22.929   8.237
  136   1HB   GLU  20          1HB       GLU  20 -16.676 -20.651   6.363
  137   2HB   GLU  20          2HB       GLU  20 -17.770 -21.968   6.787
  138   1HG   GLU  20          1HG       GLU  20 -16.586 -20.774   9.161
  139   2HG   GLU  20          2HG       GLU  20 -17.428 -19.567   8.192
  140    H    LYS  21           H        LYS  21 -14.165 -21.667   5.490
  141    HA   LYS  21           HA       LYS  21 -14.952 -23.964   3.792
  142   1HB   LYS  21          2HB       LYS  21 -13.660 -22.703   2.092
  143   2HB   LYS  21          1HB       LYS  21 -13.139 -21.572   3.341
  144   1HG   LYS  21          1HG       LYS  21 -15.823 -21.500   3.733
  145   2HG   LYS  21          2HG       LYS  21 -14.979 -20.397   2.646
  146   1HD   LYS  21          1HD       LYS  21 -15.555 -22.927   1.332
  147   2HD   LYS  21          2HD       LYS  21 -17.029 -22.183   1.953
  148   1HE   LYS  21          1HE       LYS  21 -16.951 -20.522   0.396
  149   2HE   LYS  21          2HE       LYS  21 -15.217 -20.254   0.661
  150   1HZ   LYS  21          1HZ       LYS  21 -14.941 -22.509  -0.478
  151   2HZ   LYS  21          2HZ       LYS  21 -16.536 -22.302  -1.026
  152   3HZ   LYS  21          3HZ       LYS  21 -15.332 -21.187  -1.468
  153    H    GLY  22           H        GLY  22 -12.111 -22.688   5.486
  154   1HA   GLY  22          1HA       GLY  22 -10.334 -24.052   6.349
  155   2HA   GLY  22          2HA       GLY  22 -10.876 -25.370   5.312
  156    H    ASP  23           H        ASP  23  -8.177 -24.063   5.649
  157    HA   ASP  23           HA       ASP  23  -7.660 -22.753   3.069
  158   1HB   ASP  23          1HB       ASP  23  -6.603 -22.472   5.505
  159   2HB   ASP  23          2HB       ASP  23  -5.527 -23.741   4.923
  160    H    LYS  24           H        LYS  24  -8.639 -24.991   2.204
  161    HA   LYS  24           HA       LYS  24  -7.360 -27.441   2.161
  162   1HB   LYS  24          1HB       LYS  24  -8.965 -25.798   0.312
  163   2HB   LYS  24          2HB       LYS  24  -8.042 -27.079  -0.472
  164   1HG   LYS  24          1HG       LYS  24  -9.609 -27.682   2.022
  165   2HG   LYS  24          2HG       LYS  24 -10.436 -27.612   0.466
  166   1HD   LYS  24          1HD       LYS  24  -9.681 -29.669  -0.043
  167   2HD   LYS  24          2HD       LYS  24  -8.016 -29.117   0.145
  168   1HE   LYS  24          1HE       LYS  24  -8.656 -29.346   2.749
  169   2HE   LYS  24          2HE       LYS  24  -9.761 -30.565   2.087
  170   1HZ   LYS  24          1HZ       LYS  24  -7.747 -31.278   0.703
  171   2HZ   LYS  24          2HZ       LYS  24  -6.816 -30.395   1.817
  172   3HZ   LYS  24          3HZ       LYS  24  -7.754 -31.710   2.343
  173    H    PHE  25           H        PHE  25  -6.183 -24.462   0.699
  174    HA   PHE  25           HA       PHE  25  -4.172 -25.723  -0.981
  175   1HB   PHE  25          1HB       PHE  25  -5.152 -23.068  -0.247
  176   2HB   PHE  25          2HB       PHE  25  -3.398 -23.099  -0.431
  177    HD1  PHE  25           HD1      PHE  25  -2.496 -24.378  -2.554
  178    HD2  PHE  25           HD2      PHE  25  -6.494 -22.859  -2.149
  179    HE1  PHE  25           HE1      PHE  25  -2.757 -24.406  -5.020
  180    HE2  PHE  25           HE2      PHE  25  -6.754 -22.888  -4.616
  181    HZ   PHE  25           HZ       PHE  25  -4.885 -23.661  -6.051
  182    H    ALA  26           H        ALA  26  -4.330 -24.673   2.368
  183    HA   ALA  26           HA       ALA  26  -1.390 -25.034   2.696
  184   1HB   ALA  26          3HB       ALA  26  -1.643 -23.652   4.536
  185   2HB   ALA  26          2HB       ALA  26  -3.235 -24.300   4.930
  186   3HB   ALA  26          1HB       ALA  26  -3.057 -23.139   3.615
  187    H    GLY  27           H        GLY  27  -4.475 -26.506   3.507
  188   1HA   GLY  27          1HA       GLY  27  -4.338 -28.998   3.858
  189   2HA   GLY  27          2HA       GLY  27  -2.986 -28.671   4.941
  190    H    ILE  28           H        ILE  28  -5.872 -26.646   4.844
  191    HA   ILE  28           HA       ILE  28  -6.593 -27.707   7.555
  192    HB   ILE  28           HB       ILE  28  -6.632 -24.912   6.385
  193   1HG1  ILE  28          1HG1      ILE  28  -5.274 -25.585   8.936
  194   2HG1  ILE  28          2HG1      ILE  28  -4.542 -26.237   7.470
  195   1HG2  ILE  28          1HG2      ILE  28  -8.051 -26.103   8.695
  196   2HG2  ILE  28          2HG2      ILE  28  -7.193 -24.600   9.033
  197   3HG2  ILE  28          3HG2      ILE  28  -8.426 -24.647   7.773
  198   1HD1  ILE  28          1HD1      ILE  28  -5.315 -23.325   7.796
  199   2HD1  ILE  28          2HD1      ILE  28  -3.697 -23.944   8.132
  200   3HD1  ILE  28          3HD1      ILE  28  -4.357 -24.037   6.498
  201    HA   PRO  29           HA       PRO  29 -10.375 -28.561   5.265
  202   1HB   PRO  29          1HB       PRO  29 -11.724 -29.712   7.356
  203   2HB   PRO  29          2HB       PRO  29 -10.508 -30.574   6.395
  204   1HG   PRO  29          2HG       PRO  29  -9.591 -30.805   8.505
  205   2HG   PRO  29          1HG       PRO  29 -10.239 -29.254   9.062
  206   1HD   PRO  29          1HD       PRO  29  -8.084 -28.559   8.661
  207   2HD   PRO  29          2HD       PRO  29  -7.802 -29.817   7.439
  208    HA   PRO  30           HA       PRO  30 -13.076 -25.295   6.468
  209   1HB   PRO  30          1HB       PRO  30 -15.583 -26.380   6.335
  210   2HB   PRO  30          2HB       PRO  30 -14.617 -26.003   4.895
  211   1HG   PRO  30          2HG       PRO  30 -15.005 -28.255   4.548
  212   2HG   PRO  30          1HG       PRO  30 -15.025 -28.612   6.281
  213   1HD   PRO  30          1HD       PRO  30 -12.886 -29.342   5.843
  214   2HD   PRO  30          2HD       PRO  30 -12.698 -28.258   4.448
  215    H    GLY  31           H        GLY  31 -15.426 -25.249   7.910
  216   1HA   GLY  31          1HA       GLY  31 -16.115 -25.091  10.159
  217   2HA   GLY  31          2HA       GLY  31 -15.725 -26.810  10.201
  218    H    THR  32           H        THR  32 -13.464 -24.100   9.721
  219    HA   THR  32           HA       THR  32 -12.302 -24.638  12.419
  220    HB   THR  32           HB       THR  32 -10.803 -24.619   9.781
  221    HG1  THR  32           HG1      THR  32 -10.767 -26.764   9.968
  222   1HG2  THR  32          1HG2      THR  32  -9.739 -23.816  12.066
  223   2HG2  THR  32          2HG2      THR  32  -9.668 -25.548  12.391
  224   3HG2  THR  32          3HG2      THR  32  -8.839 -24.881  10.985
  225    HA   PRO  33           HA       PRO  33 -12.325 -20.155  11.914
  226   1HB   PRO  33          1HB       PRO  33 -11.795 -19.568  14.533
  227   2HB   PRO  33          2HB       PRO  33 -13.414 -19.997  13.947
  228   1HG   PRO  33          1HG       PRO  33 -11.414 -21.654  15.393
  229   2HG   PRO  33          2HG       PRO  33 -13.177 -21.639  15.531
  230   1HD   PRO  33          1HD       PRO  33 -11.745 -23.531  14.142
  231   2HD   PRO  33          2HD       PRO  33 -13.440 -23.120  13.813
  232    H    PHE  34           H        PHE  34 -10.637 -18.558  11.929
  233    HA   PHE  34           HA       PHE  34  -7.980 -19.496  11.486
  234   1HB   PHE  34          1HB       PHE  34  -8.799 -17.449  10.523
  235   2HB   PHE  34          2HB       PHE  34  -9.209 -16.795  12.101
  236    HD1  PHE  34           HD1      PHE  34  -6.477 -17.543   9.749
  237    HD2  PHE  34           HD2      PHE  34  -7.483 -15.939  13.603
  238    HE1  PHE  34           HE1      PHE  34  -4.211 -16.552   9.927
  239    HE2  PHE  34           HE2      PHE  34  -5.218 -14.946  13.782
  240    HZ   PHE  34           HZ       PHE  34  -3.582 -15.253  11.943
  241    H    VAL  35           H        VAL  35  -9.620 -18.421  14.407
  242    HA   VAL  35           HA       VAL  35  -7.288 -17.923  16.016
  243    HB   VAL  35           HB       VAL  35  -8.964 -18.120  17.852
  244   1HG1  VAL  35          1HG1      VAL  35  -9.030 -16.374  15.582
  245   2HG1  VAL  35          2HG1      VAL  35 -10.689 -16.668  16.104
  246   3HG1  VAL  35          3HG1      VAL  35  -9.507 -16.023  17.243
  247   1HG2  VAL  35          1HG2      VAL  35 -10.255 -19.778  15.884
  248   2HG2  VAL  35          2HG2      VAL  35 -10.696 -19.530  17.573
  249   3HG2  VAL  35          3HG2      VAL  35 -11.333 -18.455  16.329
  250    H    ASP  36           H        ASP  36  -8.536 -20.858  14.769
  251    HA   ASP  36           HA       ASP  36  -7.278 -22.431  16.987
  252   1HB   ASP  36          1HB       ASP  36  -9.731 -22.581  15.578
  253   2HB   ASP  36          2HB       ASP  36  -8.783 -23.982  15.080
  254    H    LEU  37           H        LEU  37  -6.497 -21.275  13.949
  255    HA   LEU  37           HA       LEU  37  -5.487 -23.421  12.458
  256   1HB   LEU  37          1HB       LEU  37  -4.609 -20.581  12.958
  257   2HB   LEU  37          2HB       LEU  37  -3.701 -21.613  11.852
  258    HG   LEU  37           HG       LEU  37  -6.677 -21.049  11.664
  259   1HD1  LEU  37          1HD1      LEU  37  -5.150 -19.111  11.134
  260   2HD1  LEU  37          2HD1      LEU  37  -4.432 -20.100   9.864
  261   3HD1  LEU  37          3HD1      LEU  37  -6.135 -19.647   9.774
  262   1HD2  LEU  37          1HD2      LEU  37  -4.912 -23.029  10.460
  263   2HD2  LEU  37          2HD2      LEU  37  -6.671 -22.916  10.396
  264   3HD2  LEU  37          3HD2      LEU  37  -5.687 -22.023   9.237
  265    H    SER  38           H        SER  38  -3.176 -24.162  12.295
  266    HA   SER  38           HA       SER  38  -2.162 -25.338  14.622
  267   1HB   SER  38          1HB       SER  38  -1.036 -24.489  11.972
  268   2HB   SER  38          2HB       SER  38   0.056 -25.155  13.186
  269    HG   SER  38           HG       SER  38  -0.958 -27.046  13.103
  270    H    ASP  39           H        ASP  39  -0.283 -24.776  15.955
  271    HA   ASP  39           HA       ASP  39  -0.289 -22.105  16.964
  272   1HB   ASP  39          1HB       ASP  39   1.518 -24.510  17.171
  273   2HB   ASP  39          2HB       ASP  39   1.932 -23.006  17.992
  274    H    SER  40           H        SER  40   1.266 -23.447  14.185
  275    HA   SER  40           HA       SER  40   2.778 -20.896  13.830
  276   1HB   SER  40          1HB       SER  40   3.846 -23.435  14.516
  277   2HB   SER  40          2HB       SER  40   4.271 -23.148  12.829
  278    HG   SER  40           HG       SER  40   5.613 -21.678  13.446
  279    H    PHE  41           H        PHE  41   0.392 -21.342  12.523
  280    HA   PHE  41           HA       PHE  41   0.636 -22.756  10.017
  281   1HB   PHE  41          1HB       PHE  41  -1.532 -22.325  10.908
  282   2HB   PHE  41          2HB       PHE  41  -1.187 -20.624  11.157
  283    HD1  PHE  41           HD1      PHE  41  -1.948 -23.215   8.616
  284    HD2  PHE  41           HD2      PHE  41  -1.341 -19.023   9.350
  285    HE1  PHE  41           HE1      PHE  41  -2.853 -22.689   6.369
  286    HE2  PHE  41           HE2      PHE  41  -2.244 -18.501   7.101
  287    HZ   PHE  41           HZ       PHE  41  -3.000 -20.332   5.611
  288    H    MET  42           H        MET  42   1.250 -21.965   7.985
  289    HA   MET  42           HA       MET  42   2.368 -19.180   7.926
  290   1HB   MET  42          2HB       MET  42   4.083 -20.059   6.442
  291   2HB   MET  42          1HB       MET  42   3.267 -21.619   6.354
  292   1HG   MET  42          1HG       MET  42   3.968 -20.618   9.072
  293   2HG   MET  42          2HG       MET  42   3.995 -22.264   8.441
  294   1HE   MET  42          1HE       MET  42   5.747 -22.696   9.690
  295   2HE   MET  42          2HE       MET  42   7.384 -22.723   9.039
  296   3HE   MET  42          3HE       MET  42   6.901 -21.430  10.135
  297    H    CYS  43           H        CYS  43   1.998 -18.007   5.957
  298    HA   CYS  43           HA       CYS  43  -0.501 -18.368   4.672
  299   1HB   CYS  43          1HB       CYS  43   1.138 -16.362   4.829
  300   2HB   CYS  43          2HB       CYS  43   1.907 -17.070   3.409
  301    HA   PRO  44           HA       PRO  44   0.592 -21.645   1.861
  302   1HB   PRO  44          1HB       PRO  44  -1.647 -21.550   0.292
  303   2HB   PRO  44          2HB       PRO  44  -1.631 -22.278   1.908
  304   1HG   PRO  44          1HG       PRO  44  -2.618 -19.607   1.036
  305   2HG   PRO  44          2HG       PRO  44  -3.290 -20.722   2.234
  306   1HD   PRO  44          1HD       PRO  44  -1.818 -18.496   2.863
  307   2HD   PRO  44          2HD       PRO  44  -1.940 -19.931   3.904
  308    H    ALA  45           H        ALA  45   0.419 -18.338   1.168
  309    HA   ALA  45           HA       ALA  45   1.287 -18.797  -1.660
  310   1HB   ALA  45          1HB       ALA  45  -0.924 -17.661  -1.283
  311   2HB   ALA  45          2HB       ALA  45  -0.060 -16.369  -0.448
  312   3HB   ALA  45          3HB       ALA  45   0.237 -16.666  -2.161
  313    H    CYS  46           H        CYS  46   1.639 -16.502   1.076
  314    HA   CYS  46           HA       CYS  46   4.335 -15.824  -0.002
  315   1HB   CYS  46          2HB       CYS  46   2.297 -14.195   0.532
  316   2HB   CYS  46          1HB       CYS  46   3.961 -13.684   0.772
  317    H    ARG  47           H        ARG  47   3.168 -17.991   2.129
  318    HA   ARG  47           HA       ARG  47   4.118 -19.168   3.938
  319   1HB   ARG  47          1HB       ARG  47   5.955 -18.971   2.141
  320   2HB   ARG  47          2HB       ARG  47   6.655 -17.723   3.170
  321   1HG   ARG  47          1HG       ARG  47   6.836 -19.286   5.025
  322   2HG   ARG  47          2HG       ARG  47   5.991 -20.530   4.105
  323   1HD   ARG  47          1HD       ARG  47   8.502 -19.298   2.979
  324   2HD   ARG  47          2HD       ARG  47   8.611 -20.600   4.178
  325    HE   ARG  47           HE       ARG  47   7.073 -20.851   1.612
  326   1HH1  ARG  47          1HH1      ARG  47   7.904 -22.385   4.493
  327   2HH1  ARG  47          2HH1      ARG  47   8.403 -23.872   3.757
  328   1HH2  ARG  47          1HH2      ARG  47   8.172 -22.654   0.518
  329   2HH2  ARG  47          2HH2      ARG  47   8.553 -24.025   1.507
  330    H    SER  48           H        SER  48   3.289 -16.150   4.322
  331    HA   SER  48           HA       SER  48   5.044 -15.120   6.385
  332   1HB   SER  48          1HB       SER  48   3.680 -13.534   5.324
  333   2HB   SER  48          2HB       SER  48   2.265 -14.587   5.360
  334    HG   SER  48           HG       SER  48   2.924 -12.713   7.082
  335    HA   PRO  49           HA       PRO  49   3.638 -17.512   9.807
  336   1HB   PRO  49          1HB       PRO  49   3.863 -15.704  11.853
  337   2HB   PRO  49          2HB       PRO  49   5.262 -16.488  11.095
  338   1HG   PRO  49          2HG       PRO  49   5.826 -14.282  10.742
  339   2HG   PRO  49          1HG       PRO  49   4.137 -13.761  10.649
  340   1HD   PRO  49          1HD       PRO  49   4.543 -13.778   8.392
  341   2HD   PRO  49          2HD       PRO  49   5.874 -14.945   8.544
  342    H    LYS  50           H        LYS  50   1.662 -17.935  10.836
  343    HA   LYS  50           HA       LYS  50  -0.720 -16.684  10.030
  344   1HB   LYS  50          1HB       LYS  50  -0.367 -18.918  11.167
  345   2HB   LYS  50          2HB       LYS  50  -0.166 -18.044  12.687
  346   1HG   LYS  50          1HG       LYS  50  -2.477 -16.945  11.952
  347   2HG   LYS  50          2HG       LYS  50  -2.630 -18.448  11.042
  348   1HD   LYS  50          1HD       LYS  50  -2.680 -19.761  12.957
  349   2HD   LYS  50          2HD       LYS  50  -1.764 -18.592  13.908
  350   1HE   LYS  50          1HE       LYS  50  -3.806 -17.053  13.735
  351   2HE   LYS  50          2HE       LYS  50  -4.687 -18.463  13.119
  352   1HZ   LYS  50          1HZ       LYS  50  -3.792 -19.694  15.091
  353   2HZ   LYS  50          2HZ       LYS  50  -3.253 -18.206  15.709
  354   3HZ   LYS  50          3HZ       LYS  50  -4.913 -18.480  15.473
  355    H    ASN  51           H        ASN  51   1.526 -15.705  12.537
  356    HA   ASN  51           HA       ASN  51  -0.267 -13.964  13.980
  357   1HB   ASN  51          1HB       ASN  51   1.841 -14.773  14.906
  358   2HB   ASN  51          2HB       ASN  51   2.744 -14.024  13.591
  359   2HD2  ASN  51          2HD2      ASN  51   3.935 -12.651  15.130
  360   1HD2  ASN  51          1HD2      ASN  51   3.179 -11.333  15.885
  361    H    GLN  52           H        GLN  52   1.098 -13.767  10.851
  362    HA   GLN  52           HA       GLN  52   1.088 -10.809  10.764
  363   1HB   GLN  52          1HB       GLN  52   2.410 -12.954   9.473
  364   2HB   GLN  52          2HB       GLN  52   1.424 -12.174   8.236
  365   1HG   GLN  52          1HG       GLN  52   3.287 -10.685  10.109
  366   2HG   GLN  52          2HG       GLN  52   3.722 -11.176   8.473
  367   2HE2  GLN  52          2HE2      GLN  52   1.342 -10.628   7.072
  368   1HE2  GLN  52          1HE2      GLN  52   1.015  -8.966   7.142
  369    H    PHE  53           H        PHE  53  -1.266 -13.172  10.622
  370    HA   PHE  53           HA       PHE  53  -2.770 -12.035   8.337
  371   1HB   PHE  53          1HB       PHE  53  -3.111 -14.300  10.307
  372   2HB   PHE  53          2HB       PHE  53  -4.408 -13.846   9.203
  373    HD1  PHE  53           HD1      PHE  53  -0.768 -14.722   9.256
  374    HD2  PHE  53           HD2      PHE  53  -4.428 -14.678   7.007
  375    HE1  PHE  53           HE1      PHE  53   0.334 -15.997   7.438
  376    HE2  PHE  53           HE2      PHE  53  -3.325 -15.954   5.188
  377    HZ   PHE  53           HZ       PHE  53  -0.943 -16.613   5.405
  378    H    LYS  54           H        LYS  54  -4.296 -10.452   8.598
  379    HA   LYS  54           HA       LYS  54  -5.134  -9.723  11.378
  380   1HB   LYS  54          1HB       LYS  54  -3.992  -8.009  10.031
  381   2HB   LYS  54          2HB       LYS  54  -5.165  -8.227   8.733
  382   1HG   LYS  54          1HG       LYS  54  -6.636  -6.849   9.740
  383   2HG   LYS  54          2HG       LYS  54  -6.512  -7.743  11.255
  384   1HD   LYS  54          1HD       LYS  54  -4.079  -6.307  10.945
  385   2HD   LYS  54          2HD       LYS  54  -5.388  -5.180  10.592
  386   1HE   LYS  54          1HE       LYS  54  -5.137  -5.031  12.951
  387   2HE   LYS  54          2HE       LYS  54  -6.492  -6.160  12.755
  388   1HZ   LYS  54          1HZ       LYS  54  -4.798  -7.973  12.711
  389   2HZ   LYS  54          2HZ       LYS  54  -3.623  -6.831  13.158
  390   3HZ   LYS  54          3HZ       LYS  54  -4.910  -7.177  14.207
  391    H    SER  55           H        SER  55  -7.307  -9.964  11.927
  392    HA   SER  55           HA       SER  55  -9.081 -11.474  10.265
  393   1HB   SER  55          2HB       SER  55  -9.179 -11.338  12.722
  394   2HB   SER  55          1HB       SER  55 -10.724 -10.909  12.012
  395    HG   SER  55           HG       SER  55  -9.330  -9.480  13.669
  396    H    ILE  56           H        ILE  56 -11.415 -10.504   9.957
  397    HA   ILE  56           HA       ILE  56 -11.495  -7.695   9.074
  398    HB   ILE  56           HB       ILE  56 -10.327  -8.784   7.226
  399   1HG1  ILE  56          1HG1      ILE  56 -13.185  -8.533   6.298
  400   2HG1  ILE  56          2HG1      ILE  56 -12.286  -7.119   6.845
  401   1HG2  ILE  56          1HG2      ILE  56 -12.151 -10.928   7.880
  402   2HG2  ILE  56          2HG2      ILE  56 -12.274 -10.534   6.166
  403   3HG2  ILE  56          3HG2      ILE  56 -10.713 -10.972   6.860
  404   1HD1  ILE  56          1HD1      ILE  56 -11.142  -9.005   4.783
  405   2HD1  ILE  56          2HD1      ILE  56 -12.204  -7.676   4.320
  406   3HD1  ILE  56          3HD1      ILE  56 -10.672  -7.341   5.126
  407    H    LYS  57           H        LYS  57 -13.343  -7.602  10.501
  408    HA   LYS  57           HA       LYS  57 -15.748  -9.077   9.479
  409   1HB   LYS  57          1HB       LYS  57 -16.466  -9.088  11.885
  410   2HB   LYS  57          2HB       LYS  57 -14.980  -9.993  11.602
  411   1HG   LYS  57          1HG       LYS  57 -13.713  -8.530  12.805
  412   2HG   LYS  57          2HG       LYS  57 -14.587  -7.125  12.196
  413   1HD   LYS  57          1HD       LYS  57 -15.389  -7.063  14.341
  414   2HD   LYS  57          2HD       LYS  57 -16.532  -8.245  13.705
  415   1HE   LYS  57          2HE       LYS  57 -14.134  -9.636  14.454
  416   2HE   LYS  57          1HE       LYS  57 -15.745  -9.771  15.184
  417   1HZ   LYS  57          1HZ       LYS  57 -15.245  -7.665  16.380
  418   2HZ   LYS  57          2HZ       LYS  57 -14.244  -8.952  16.845
  419   3HZ   LYS  57          3HZ       LYS  57 -13.650  -7.750  15.802
  420    H    LYS  58           H        LYS  58 -15.906  -6.971   8.172
  421    HA   LYS  58           HA       LYS  58 -16.656  -4.556   9.691
  422   1HB   LYS  58          1HB       LYS  58 -15.315  -4.470   7.619
  423   2HB   LYS  58          2HB       LYS  58 -16.634  -5.235   6.731
  424   1HG   LYS  58          1HG       LYS  58 -17.744  -3.020   8.128
  425   2HG   LYS  58          2HG       LYS  58 -16.269  -2.451   7.348
  426   1HD   LYS  58          1HD       LYS  58 -17.230  -3.831   5.291
  427   2HD   LYS  58          2HD       LYS  58 -18.765  -3.554   6.114
  428   1HE   LYS  58          1HE       LYS  58 -18.768  -1.333   5.581
  429   2HE   LYS  58          2HE       LYS  58 -17.040  -1.159   5.946
  430   1HZ   LYS  58          1HZ       LYS  58 -18.114  -2.573   3.559
  431   2HZ   LYS  58          2HZ       LYS  58 -17.570  -0.963   3.538
  432   3HZ   LYS  58          3HZ       LYS  58 -16.487  -2.225   3.888
  433    H    VAL  59           H        VAL  59 -18.774  -3.780   9.884
  434    HA   VAL  59           HA       VAL  59 -20.972  -5.240   8.500
  435    HB   VAL  59           HB       VAL  59 -20.527  -6.387  10.644
  436   1HG1  VAL  59          1HG1      VAL  59 -19.975  -3.779  11.530
  437   2HG1  VAL  59          2HG1      VAL  59 -21.440  -4.253  12.390
  438   3HG1  VAL  59          3HG1      VAL  59 -19.985  -5.243  12.512
  439   1HG2  VAL  59          1HG2      VAL  59 -22.994  -5.251   9.806
  440   2HG2  VAL  59          2HG2      VAL  59 -22.753  -6.694  10.789
  441   3HG2  VAL  59          3HG2      VAL  59 -22.940  -5.121  11.564
  442    H    ILE  60           H        ILE  60 -22.614  -3.827   7.945
  443    HA   ILE  60           HA       ILE  60 -22.729  -1.178   9.338
  444    HB   ILE  60           HB       ILE  60 -21.451  -0.964   7.257
  445   1HG1  ILE  60          1HG1      ILE  60 -22.875   0.688   6.097
  446   2HG1  ILE  60          2HG1      ILE  60 -24.289   0.067   6.950
  447   1HG2  ILE  60          1HG2      ILE  60 -23.458  -2.848   6.338
  448   2HG2  ILE  60          2HG2      ILE  60 -23.351  -1.466   5.249
  449   3HG2  ILE  60          3HG2      ILE  60 -21.913  -2.424   5.602
  450   1HD1  ILE  60          1HD1      ILE  60 -22.042   0.755   8.724
  451   2HD1  ILE  60          2HD1      ILE  60 -22.698   2.135   7.840
  452   3HD1  ILE  60          3HD1      ILE  60 -23.752   1.162   8.867
  453    H    ALA  61           H        ALA  61 -24.849  -0.322   9.493
  454    HA   ALA  61           HA       ALA  61 -27.207  -0.420   9.599
  455   1HB   ALA  61          2HB       ALA  61 -27.403  -2.097   7.186
  456   2HB   ALA  61          3HB       ALA  61 -28.022  -0.471   7.472
  457   3HB   ALA  61          1HB       ALA  61 -26.341  -0.702   6.993
  458    H    GLY  62           H        GLY  62 -28.999  -2.425   8.867
  459   1HA   GLY  62          1HA       GLY  62 -29.419  -4.812   9.170
  460   2HA   GLY  62          2HA       GLY  62 -27.987  -4.895  10.196
  461    H    PHE  63           H        PHE  63 -31.380  -4.047  10.078
  462    HA   PHE  63           HA       PHE  63 -31.405  -4.004  13.065
  463   1HB   PHE  63          1HB       PHE  63 -31.951  -1.836  11.164
  464   2HB   PHE  63          2HB       PHE  63 -33.270  -2.093  12.306
  465    HD1  PHE  63           HD1      PHE  63 -32.441  -2.546  14.819
  466    HD2  PHE  63           HD2      PHE  63 -30.225  -0.415  11.819
  467    HE1  PHE  63           HE1      PHE  63 -31.127  -1.415  16.593
  468    HE2  PHE  63           HE2      PHE  63 -28.912   0.717  13.593
  469    HZ   PHE  63           HZ       PHE  63 -29.364   0.216  15.981
  470    H    ALA  64           H        ALA  64 -33.963  -3.825  13.661
  471    HA   ALA  64           HA       ALA  64 -35.636  -5.367  11.765
  472   1HB   ALA  64          3HB       ALA  64 -35.564  -7.336  12.933
  473   2HB   ALA  64          1HB       ALA  64 -34.022  -6.705  13.511
  474   3HB   ALA  64          2HB       ALA  64 -35.475  -6.517  14.493
  475    H    GLU  65           H        GLU  65 -35.894  -2.699  12.848
  476    HA   GLU  65           HA       GLU  65 -37.686  -2.645  15.119
  477   1HB   GLU  65          1HB       GLU  65 -36.368  -0.859  13.280
  478   2HB   GLU  65          2HB       GLU  65 -38.061  -0.388  13.432
  479   1HG   GLU  65          1HG       GLU  65 -37.322  -0.973  16.046
  480   2HG   GLU  65          2HG       GLU  65 -35.891  -0.180  15.386
  481    H    ASN  66           H        ASN  66 -39.888  -2.983  15.142
  482    HA   ASN  66           HA       ASN  66 -41.262  -3.298  12.494
  483   1HB   ASN  66          1HB       ASN  66 -41.222  -4.770  15.061
  484   2HB   ASN  66          2HB       ASN  66 -42.819  -4.583  14.338
  485   2HD2  ASN  66          2HD2      ASN  66 -42.181  -7.141  14.259
  486   1HD2  ASN  66          1HD2      ASN  66 -41.534  -7.639  12.772
  487    H    GLN  67           H        GLN  67 -41.103  -0.692  13.435
  488    HA   GLN  67           HA       GLN  67 -43.378  -0.004  15.131
  489   1HB   GLN  67          1HB       GLN  67 -41.020   1.168  14.334
  490   2HB   GLN  67          2HB       GLN  67 -42.202   2.041  13.359
  491   1HG   GLN  67          1HG       GLN  67 -43.538   2.245  15.590
  492   2HG   GLN  67          2HG       GLN  67 -42.000   1.855  16.359
  493   2HE2  GLN  67          2HE2      GLN  67 -42.458   4.247  17.156
  494   1HE2  GLN  67          1HE2      GLN  67 -41.806   5.481  16.189
  495    H    LYS  68           H        LYS  68 -45.097   1.541  14.240
  496    HA   LYS  68           HA       LYS  68 -46.212   0.397  11.749
  497   1HB   LYS  68          1HB       LYS  68 -47.166   1.392  14.215
  498   2HB   LYS  68          2HB       LYS  68 -47.739   2.523  12.989
  499   1HG   LYS  68          1HG       LYS  68 -49.422   0.979  12.784
  500   2HG   LYS  68          2HG       LYS  68 -48.255   0.189  11.724
  501   1HD   LYS  68          1HD       LYS  68 -47.696  -0.522  14.460
  502   2HD   LYS  68          2HD       LYS  68 -49.394  -0.842  14.107
  503   1HE   LYS  68          1HE       LYS  68 -48.442  -1.912  11.890
  504   2HE   LYS  68          2HE       LYS  68 -46.941  -2.026  12.829
  505   1HZ   LYS  68          1HZ       LYS  68 -48.192  -3.082  14.618
  506   2HZ   LYS  68          2HZ       LYS  68 -49.620  -2.991  13.701
  507   3HZ   LYS  68          3HZ       LYS  68 -48.342  -3.979  13.183
  508    H    TYR  69           H        TYR  69 -46.157   3.763  12.958
  509    HA   TYR  69           HA       TYR  69 -45.926   4.764  10.191
  510   1HB   TYR  69          1HB       TYR  69 -47.142   5.566  12.556
  511   2HB   TYR  69          2HB       TYR  69 -45.775   6.671  12.413
  512    HD1  TYR  69           HD1      TYR  69 -45.457   7.961  10.250
  513    HD2  TYR  69           HD2      TYR  69 -49.045   5.779  11.150
  514    HE1  TYR  69           HE1      TYR  69 -46.675   9.249   8.515
  515    HE2  TYR  69           HE2      TYR  69 -50.263   7.066   9.413
  516    HH   TYR  69           HH       TYR  69 -50.132   9.072   8.185
  517    H    GLY  70           H        GLY  70 -43.786   4.450   9.477
  518   1HA   GLY  70          1HA       GLY  70 -41.496   4.939  11.201
  519   2HA   GLY  70          2HA       GLY  70 -41.434   4.642   9.464

  No H/Q in entry =         519
  Start of MODEL    8
    1    H1   MET   1          1H        MET   1 -15.850  -5.779  -0.089
    2    H2   MET   1          2H        MET   1 -16.655  -6.084  -1.550
    3    H3   MET   1          3H        MET   1 -17.280  -4.941  -0.461
    4    HA   MET   1           HA       MET   1 -18.629  -6.807  -0.118
    5   1HB   MET   1          1HB       MET   1 -17.151  -8.207  -1.542
    6   2HB   MET   1          2HB       MET   1 -16.014  -8.348  -0.202
    7   1HG   MET   1          1HG       MET   1 -17.311  -9.864   0.899
    8   2HG   MET   1          2HG       MET   1 -18.809  -9.042   0.464
    9   1HE   MET   1          1HE       MET   1 -19.439  -8.669  -1.738
   10   2HE   MET   1          2HE       MET   1 -18.782  -9.418  -3.190
   11   3HE   MET   1          3HE       MET   1 -20.178 -10.136  -2.392
   12    H    GLU   2           H        GLU   2 -19.231  -7.466   1.992
   13    HA   GLU   2           HA       GLU   2 -17.565  -6.392   4.183
   14   1HB   GLU   2          1HB       GLU   2 -19.624  -6.885   5.490
   15   2HB   GLU   2          2HB       GLU   2 -19.986  -5.957   4.035
   16   1HG   GLU   2          2HG       GLU   2 -20.066  -8.675   3.265
   17   2HG   GLU   2          1HG       GLU   2 -21.432  -7.573   3.428
   18    H    ILE   3           H        ILE   3 -17.109  -7.752   6.110
   19    HA   ILE   3           HA       ILE   3 -17.030 -10.694   5.545
   20    HB   ILE   3           HB       ILE   3 -14.764  -9.018   6.668
   21   1HG1  ILE   3          1HG1      ILE   3 -13.850  -9.925   4.282
   22   2HG1  ILE   3          2HG1      ILE   3 -15.555  -9.707   3.890
   23   1HG2  ILE   3          1HG2      ILE   3 -15.022 -11.910   5.815
   24   2HG2  ILE   3          2HG2      ILE   3 -13.470 -11.121   6.090
   25   3HG2  ILE   3          3HG2      ILE   3 -14.618 -11.296   7.418
   26   1HD1  ILE   3          1HD1      ILE   3 -14.466  -7.478   5.445
   27   2HD1  ILE   3          2HD1      ILE   3 -13.629  -7.704   3.908
   28   3HD1  ILE   3          3HD1      ILE   3 -15.374  -7.451   3.933
   29    H    ASP   4           H        ASP   4 -16.534 -11.928   7.620
   30    HA   ASP   4           HA       ASP   4 -16.628 -10.847  10.238
   31   1HB   ASP   4          1HB       ASP   4 -19.066 -10.520   8.805
   32   2HB   ASP   4          2HB       ASP   4 -19.352 -11.768  10.015
   33    H    GLU   5           H        GLU   5 -17.527 -13.462   8.078
   34    HA   GLU   5           HA       GLU   5 -17.966 -15.481  10.092
   35   1HB   GLU   5          1HB       GLU   5 -18.133 -15.149   7.298
   36   2HB   GLU   5          2HB       GLU   5 -17.003 -16.477   7.548
   37   1HG   GLU   5          1HG       GLU   5 -18.626 -17.860   8.333
   38   2HG   GLU   5          2HG       GLU   5 -19.370 -16.583   9.295
   39    H    GLY   6           H        GLY   6 -15.814 -14.565  11.234
   40   1HA   GLY   6          1HA       GLY   6 -13.577 -14.957  11.840
   41   2HA   GLY   6          2HA       GLY   6 -13.931 -16.618  11.392
   42    H    LYS   7           H        LYS   7 -14.146 -14.115   8.952
   43    HA   LYS   7           HA       LYS   7 -12.067 -15.448   7.375
   44   1HB   LYS   7          1HB       LYS   7 -14.244 -13.590   7.031
   45   2HB   LYS   7          2HB       LYS   7 -12.787 -12.917   6.299
   46   1HG   LYS   7          1HG       LYS   7 -12.711 -14.515   4.676
   47   2HG   LYS   7          2HG       LYS   7 -13.222 -15.793   5.778
   48   1HD   LYS   7          1HD       LYS   7 -15.254 -13.722   5.115
   49   2HD   LYS   7          2HD       LYS   7 -14.816 -14.838   3.822
   50   1HE   LYS   7          1HE       LYS   7 -15.376 -15.972   6.545
   51   2HE   LYS   7          2HE       LYS   7 -16.744 -15.485   5.525
   52   1HZ   LYS   7          1HZ       LYS   7 -15.539 -16.715   3.682
   53   2HZ   LYS   7          2HZ       LYS   7 -14.568 -17.402   4.895
   54   3HZ   LYS   7          3HZ       LYS   7 -16.245 -17.682   4.883
   55    H    TYR   8           H        TYR   8  -9.942 -15.089   7.950
   56    HA   TYR   8           HA       TYR   8  -9.182 -12.486   9.156
   57   1HB   TYR   8          1HB       TYR   8  -8.026 -15.246   8.906
   58   2HB   TYR   8          2HB       TYR   8  -6.950 -13.901   9.277
   59    HD1  TYR   8           HD1      TYR   8 -10.490 -14.615  10.311
   60    HD2  TYR   8           HD2      TYR   8  -6.426 -13.993  11.557
   61    HE1  TYR   8           HE1      TYR   8 -11.211 -14.693  12.678
   62    HE2  TYR   8           HE2      TYR   8  -7.145 -14.078  13.929
   63    HH   TYR   8           HH       TYR   8  -8.984 -13.943  15.298
   64    H    GLU   9           H        GLU   9  -8.023 -10.959   8.045
   65    HA   GLU   9           HA       GLU   9  -7.269 -11.568   5.225
   66   1HB   GLU   9          1HB       GLU   9  -8.779  -9.695   5.618
   67   2HB   GLU   9          2HB       GLU   9  -7.671  -9.008   6.806
   68   1HG   GLU   9          1HG       GLU   9  -6.210  -8.239   5.198
   69   2HG   GLU   9          2HG       GLU   9  -6.585  -9.550   4.080
   70    H    CYS  10           H        CYS  10  -5.111 -11.667   4.659
   71    HA   CYS  10           HA       CYS  10  -3.036 -11.523   6.693
   72   1HB   CYS  10          1HB       CYS  10  -3.245 -12.934   4.507
   73   2HB   CYS  10          2HB       CYS  10  -2.643 -11.490   3.713
   74    H    GLU  11           H        GLU  11  -2.177  -9.592   7.394
   75    HA   GLU  11           HA       GLU  11  -2.561  -7.106   5.920
   76   1HB   GLU  11          1HB       GLU  11  -1.721  -8.043   8.501
   77   2HB   GLU  11          2HB       GLU  11  -0.510  -6.917   7.890
   78   1HG   GLU  11          1HG       GLU  11  -2.711  -5.539   7.220
   79   2HG   GLU  11          2HG       GLU  11  -3.371  -6.437   8.587
   80    H    ALA  12           H        ALA  12  -0.320  -9.683   5.701
   81    HA   ALA  12           HA       ALA  12   1.964  -8.075   4.804
   82   1HB   ALA  12          3HB       ALA  12   2.215 -10.151   6.089
   83   2HB   ALA  12          2HB       ALA  12   2.955 -10.331   4.498
   84   3HB   ALA  12          1HB       ALA  12   1.377 -11.051   4.824
   85    H    CYS  13           H        CYS  13  -0.531 -10.151   3.242
   86    HA   CYS  13           HA       CYS  13   0.501  -9.093   0.637
   87   1HB   CYS  13          2HB       CYS  13   1.027 -11.505   1.266
   88   2HB   CYS  13          1HB       CYS  13   0.261 -11.272  -0.299
   89    H    GLY  14           H        GLY  14  -2.368 -10.120   2.453
   90   1HA   GLY  14          1HA       GLY  14  -4.397  -8.699   2.149
   91   2HA   GLY  14          2HA       GLY  14  -4.008  -8.640   0.431
   92    H    TYR  15           H        TYR  15  -3.562 -11.632   2.106
   93    HA   TYR  15           HA       TYR  15  -5.590 -12.939   0.431
   94   1HB   TYR  15          1HB       TYR  15  -3.406 -13.955   0.787
   95   2HB   TYR  15          2HB       TYR  15  -3.610 -13.868   2.536
   96    HD1  TYR  15           HD1      TYR  15  -5.130 -15.379   3.708
   97    HD2  TYR  15           HD2      TYR  15  -4.620 -15.609  -0.549
   98    HE1  TYR  15           HE1      TYR  15  -6.241 -17.595   3.698
   99    HE2  TYR  15           HE2      TYR  15  -5.731 -17.826  -0.563
  100    HH   TYR  15           HH       TYR  15  -7.128 -19.188   0.718
  101    H    ILE  16           H        ILE  16  -7.302 -14.295   1.416
  102    HA   ILE  16           HA       ILE  16  -8.144 -13.299   4.120
  103    HB   ILE  16           HB       ILE  16  -9.752 -13.960   1.638
  104   1HG1  ILE  16          1HG1      ILE  16  -8.504 -11.805   1.624
  105   2HG1  ILE  16          2HG1      ILE  16 -10.252 -11.571   1.621
  106   1HG2  ILE  16          1HG2      ILE  16 -10.914 -14.602   3.746
  107   2HG2  ILE  16          2HG2      ILE  16 -10.695 -12.957   4.341
  108   3HG2  ILE  16          3HG2      ILE  16 -11.710 -13.257   2.932
  109   1HD1  ILE  16          1HD1      ILE  16  -9.420 -11.742   4.342
  110   2HD1  ILE  16          2HD1      ILE  16  -8.326 -10.623   3.527
  111   3HD1  ILE  16          3HD1      ILE  16 -10.066 -10.337   3.495
  112    H    TYR  17           H        TYR  17  -7.839 -15.008   5.493
  113    HA   TYR  17           HA       TYR  17  -7.963 -17.787   4.630
  114   1HB   TYR  17          1HB       TYR  17  -6.467 -17.113   6.403
  115   2HB   TYR  17          2HB       TYR  17  -7.784 -16.367   7.306
  116    HD1  TYR  17           HD1      TYR  17  -6.840 -19.687   5.821
  117    HD2  TYR  17           HD2      TYR  17  -8.778 -17.588   9.032
  118    HE1  TYR  17           HE1      TYR  17  -7.281 -21.843   6.964
  119    HE2  TYR  17           HE2      TYR  17  -9.221 -19.746  10.174
  120    HH   TYR  17           HH       TYR  17  -9.239 -22.575   8.811
  121    H    GLU  18           H        GLU  18  -9.757 -19.074   4.592
  122    HA   GLU  18           HA       GLU  18 -12.285 -18.016   5.796
  123   1HB   GLU  18          1HB       GLU  18 -11.721 -20.031   3.597
  124   2HB   GLU  18          2HB       GLU  18 -13.332 -19.547   4.124
  125   1HG   GLU  18          1HG       GLU  18 -13.188 -17.488   3.119
  126   2HG   GLU  18          2HG       GLU  18 -11.457 -17.349   3.423
  127    HA   PRO  19           HA       PRO  19 -11.440 -21.427   8.622
  128   1HB   PRO  19          1HB       PRO  19 -13.430 -20.815  10.401
  129   2HB   PRO  19          2HB       PRO  19 -11.855 -20.020  10.381
  130   1HG   PRO  19          1HG       PRO  19 -14.461 -19.053   9.357
  131   2HG   PRO  19          2HG       PRO  19 -13.146 -18.156  10.124
  132   1HD   PRO  19          1HD       PRO  19 -13.626 -18.198   7.414
  133   2HD   PRO  19          2HD       PRO  19 -12.051 -17.839   8.151
  134    H    GLU  20           H        GLU  20 -14.878 -20.580   8.347
  135    HA   GLU  20           HA       GLU  20 -16.052 -23.079   8.575
  136   1HB   GLU  20          1HB       GLU  20 -17.095 -20.781   8.255
  137   2HB   GLU  20          2HB       GLU  20 -16.855 -21.005   6.521
  138   1HG   GLU  20          1HG       GLU  20 -18.194 -23.082   6.608
  139   2HG   GLU  20          2HG       GLU  20 -18.441 -22.848   8.338
  140    H    LYS  21           H        LYS  21 -14.223 -21.877   5.817
  141    HA   LYS  21           HA       LYS  21 -15.038 -24.218   4.171
  142   1HB   LYS  21          1HB       LYS  21 -13.814 -21.537   3.764
  143   2HB   LYS  21          2HB       LYS  21 -13.312 -22.800   2.643
  144   1HG   LYS  21          1HG       LYS  21 -15.494 -23.123   1.831
  145   2HG   LYS  21          2HG       LYS  21 -16.233 -22.388   3.256
  146   1HD   LYS  21          1HD       LYS  21 -15.927 -20.249   2.476
  147   2HD   LYS  21          2HD       LYS  21 -14.418 -20.652   1.658
  148   1HE   LYS  21          1HE       LYS  21 -15.606 -21.681  -0.182
  149   2HE   LYS  21          2HE       LYS  21 -17.150 -21.563   0.684
  150   1HZ   LYS  21          1HZ       LYS  21 -15.431 -19.219   0.061
  151   2HZ   LYS  21          2HZ       LYS  21 -16.713 -19.717  -0.935
  152   3HZ   LYS  21          3HZ       LYS  21 -17.020 -19.201   0.655
  153    H    GLY  22           H        GLY  22 -12.271 -22.904   5.912
  154   1HA   GLY  22          1HA       GLY  22 -10.418 -24.170   6.716
  155   2HA   GLY  22          2HA       GLY  22 -10.935 -25.519   5.707
  156    H    ASP  23           H        ASP  23  -8.243 -24.410   5.923
  157    HA   ASP  23           HA       ASP  23  -7.740 -22.929   3.433
  158   1HB   ASP  23          1HB       ASP  23  -6.506 -23.350   5.945
  159   2HB   ASP  23          2HB       ASP  23  -5.412 -24.038   4.747
  160    H    LYS  24           H        LYS  24  -8.923 -25.043   2.457
  161    HA   LYS  24           HA       LYS  24  -7.801 -27.553   2.142
  162   1HB   LYS  24          1HB       LYS  24  -9.763 -26.060   0.967
  163   2HB   LYS  24          2HB       LYS  24  -8.626 -26.223  -0.369
  164   1HG   LYS  24          1HG       LYS  24  -8.886 -28.754   0.991
  165   2HG   LYS  24          2HG       LYS  24 -10.483 -28.154   0.547
  166   1HD   LYS  24          1HD       LYS  24  -9.631 -27.757  -1.777
  167   2HD   LYS  24          2HD       LYS  24  -8.107 -28.508  -1.305
  168   1HE   LYS  24          1HE       LYS  24  -8.985 -30.601  -1.483
  169   2HE   LYS  24          2HE       LYS  24 -10.447 -30.139  -0.592
  170   1HZ   LYS  24          1HZ       LYS  24  -9.887 -29.288  -3.383
  171   2HZ   LYS  24          2HZ       LYS  24 -10.810 -30.663  -3.003
  172   3HZ   LYS  24          3HZ       LYS  24 -11.342 -29.120  -2.528
  173    H    PHE  25           H        PHE  25  -6.573 -24.531   0.825
  174    HA   PHE  25           HA       PHE  25  -4.677 -25.789  -1.010
  175   1HB   PHE  25          1HB       PHE  25  -5.722 -23.195  -0.349
  176   2HB   PHE  25          2HB       PHE  25  -3.959 -23.115  -0.339
  177    HD1  PHE  25           HD1      PHE  25  -6.465 -25.042  -2.370
  178    HD2  PHE  25           HD2      PHE  25  -3.148 -22.314  -2.370
  179    HE1  PHE  25           HE1      PHE  25  -6.451 -25.060  -4.850
  180    HE2  PHE  25           HE2      PHE  25  -3.134 -22.331  -4.850
  181    HZ   PHE  25           HZ       PHE  25  -4.785 -23.704  -6.090
  182    H    ALA  26           H        ALA  26  -4.667 -24.812   2.355
  183    HA   ALA  26           HA       ALA  26  -1.707 -25.080   2.531
  184   1HB   ALA  26          3HB       ALA  26  -2.027 -23.473   4.087
  185   2HB   ALA  26          1HB       ALA  26  -3.764 -23.556   3.792
  186   3HB   ALA  26          2HB       ALA  26  -3.031 -24.576   5.028
  187    H    GLY  27           H        GLY  27  -4.683 -26.718   3.419
  188   1HA   GLY  27          1HA       GLY  27  -4.435 -29.213   3.677
  189   2HA   GLY  27          2HA       GLY  27  -3.044 -28.869   4.704
  190    H    ILE  28           H        ILE  28  -5.940 -26.889   4.869
  191    HA   ILE  28           HA       ILE  28  -6.529 -28.103   7.548
  192    HB   ILE  28           HB       ILE  28  -6.589 -25.262   6.494
  193   1HG1  ILE  28          1HG1      ILE  28  -5.262 -25.950   9.041
  194   2HG1  ILE  28          2HG1      ILE  28  -4.552 -26.709   7.615
  195   1HG2  ILE  28          1HG2      ILE  28  -8.590 -25.697   7.909
  196   2HG2  ILE  28          2HG2      ILE  28  -7.532 -26.267   9.199
  197   3HG2  ILE  28          3HG2      ILE  28  -7.463 -24.582   8.682
  198   1HD1  ILE  28          1HD1      ILE  28  -5.165 -23.747   7.800
  199   2HD1  ILE  28          2HD1      ILE  28  -3.589 -24.440   8.180
  200   3HD1  ILE  28          3HD1      ILE  28  -4.238 -24.570   6.546
  201    HA   PRO  29           HA       PRO  29 -10.453 -28.872   5.524
  202   1HB   PRO  29          1HB       PRO  29 -11.736 -29.942   7.697
  203   2HB   PRO  29          2HB       PRO  29 -10.578 -30.853   6.709
  204   1HG   PRO  29          2HG       PRO  29  -9.562 -31.058   8.765
  205   2HG   PRO  29          1HG       PRO  29 -10.193 -29.508   9.343
  206   1HD   PRO  29          1HD       PRO  29  -8.081 -28.768   8.857
  207   2HD   PRO  29          2HD       PRO  29  -7.788 -30.075   7.692
  208    HA   PRO  30           HA       PRO  30 -13.023 -25.519   6.769
  209   1HB   PRO  30          1HB       PRO  30 -15.559 -26.538   6.750
  210   2HB   PRO  30          2HB       PRO  30 -14.637 -26.220   5.268
  211   1HG   PRO  30          2HG       PRO  30 -15.093 -28.468   4.985
  212   2HG   PRO  30          1HG       PRO  30 -15.068 -28.785   6.726
  213   1HD   PRO  30          1HD       PRO  30 -12.965 -29.584   6.245
  214   2HD   PRO  30          2HD       PRO  30 -12.796 -28.553   4.808
  215    H    GLY  31           H        GLY  31 -15.316 -25.385   8.300
  216   1HA   GLY  31          1HA       GLY  31 -15.905 -25.158  10.572
  217   2HA   GLY  31          2HA       GLY  31 -15.578 -26.889  10.630
  218    H    THR  32           H        THR  32 -13.035 -24.627   9.818
  219    HA   THR  32           HA       THR  32 -11.822 -25.098  12.523
  220    HB   THR  32           HB       THR  32 -10.505 -24.934   9.793
  221    HG1  THR  32           HG1      THR  32 -11.739 -26.840  10.193
  222   1HG2  THR  32          1HG2      THR  32  -9.497 -25.061  12.588
  223   2HG2  THR  32          2HG2      THR  32  -8.675 -26.076  11.403
  224   3HG2  THR  32          3HG2      THR  32  -8.765 -24.332  11.159
  225    HA   PRO  33           HA       PRO  33 -11.971 -20.586  12.218
  226   1HB   PRO  33          1HB       PRO  33 -11.416 -20.116  14.853
  227   2HB   PRO  33          2HB       PRO  33 -13.033 -20.543  14.267
  228   1HG   PRO  33          2HG       PRO  33 -12.737 -22.248  15.780
  229   2HG   PRO  33          1HG       PRO  33 -10.978 -22.247  15.587
  230   1HD   PRO  33          1HD       PRO  33 -11.363 -24.071  14.269
  231   2HD   PRO  33          2HD       PRO  33 -13.054 -23.618  13.977
  232    H    PHE  34           H        PHE  34 -10.292 -19.015  12.139
  233    HA   PHE  34           HA       PHE  34  -7.657 -19.828  11.607
  234   1HB   PHE  34          1HB       PHE  34  -8.471 -17.686  10.922
  235   2HB   PHE  34          2HB       PHE  34  -8.889 -17.232  12.567
  236    HD1  PHE  34           HD1      PHE  34  -7.065 -16.790  14.240
  237    HD2  PHE  34           HD2      PHE  34  -6.255 -17.387  10.064
  238    HE1  PHE  34           HE1      PHE  34  -4.816 -15.788  14.533
  239    HE2  PHE  34           HE2      PHE  34  -4.005 -16.384  10.358
  240    HZ   PHE  34           HZ       PHE  34  -3.286 -15.585  12.592
  241    H    VAL  35           H        VAL  35  -9.144 -19.057  14.715
  242    HA   VAL  35           HA       VAL  35  -6.749 -18.779  16.263
  243    HB   VAL  35           HB       VAL  35  -8.315 -19.157  18.136
  244   1HG1  VAL  35          1HG1      VAL  35  -8.359 -17.094  16.415
  245   2HG1  VAL  35          2HG1      VAL  35  -9.999 -17.690  16.161
  246   3HG1  VAL  35          3HG1      VAL  35  -9.478 -17.204  17.775
  247   1HG2  VAL  35          1HG2      VAL  35  -9.855 -20.457  15.948
  248   2HG2  VAL  35          2HG2      VAL  35  -9.760 -20.877  17.658
  249   3HG2  VAL  35          3HG2      VAL  35 -10.790 -19.545  17.134
  250    H    ASP  36           H        ASP  36  -8.255 -21.578  14.871
  251    HA   ASP  36           HA       ASP  36  -6.846 -23.408  16.754
  252   1HB   ASP  36          1HB       ASP  36  -9.333 -23.494  15.864
  253   2HB   ASP  36          2HB       ASP  36  -8.587 -24.266  14.464
  254    H    LEU  37           H        LEU  37  -6.107 -21.827  13.901
  255    HA   LEU  37           HA       LEU  37  -5.064 -23.764  12.151
  256   1HB   LEU  37          1HB       LEU  37  -4.367 -20.943  12.926
  257   2HB   LEU  37          2HB       LEU  37  -3.345 -21.794  11.769
  258    HG   LEU  37           HG       LEU  37  -6.338 -21.353  11.518
  259   1HD1  LEU  37          1HD1      LEU  37  -3.961 -20.204  10.022
  260   2HD1  LEU  37          2HD1      LEU  37  -5.645 -19.976   9.549
  261   3HD1  LEU  37          3HD1      LEU  37  -5.062 -19.319  11.078
  262   1HD2  LEU  37          1HD2      LEU  37  -4.501 -23.233  10.258
  263   2HD2  LEU  37          2HD2      LEU  37  -6.260 -23.159  10.165
  264   3HD2  LEU  37          3HD2      LEU  37  -5.277 -22.184   9.071
  265    H    SER  38           H        SER  38  -2.622 -24.171  11.840
  266    HA   SER  38           HA       SER  38  -1.544 -25.614  14.029
  267   1HB   SER  38          1HB       SER  38   0.073 -24.312  11.834
  268   2HB   SER  38          2HB       SER  38   0.326 -25.887  12.586
  269    HG   SER  38           HG       SER  38  -1.443 -26.675  11.544
  270    H    ASP  39           H        ASP  39   0.566 -25.090  15.150
  271    HA   ASP  39           HA       ASP  39   0.422 -22.599  16.570
  272   1HB   ASP  39          1HB       ASP  39   1.393 -24.732  17.395
  273   2HB   ASP  39          2HB       ASP  39   2.699 -24.579  16.221
  274    H    SER  40           H        SER  40   1.966 -23.520  13.580
  275    HA   SER  40           HA       SER  40   3.089 -20.758  13.356
  276   1HB   SER  40          2HB       SER  40   5.209 -21.621  12.718
  277   2HB   SER  40          1HB       SER  40   4.557 -23.237  12.444
  278    HG   SER  40           HG       SER  40   4.969 -23.652  14.439
  279    H    PHE  41           H        PHE  41   0.715 -21.374  12.164
  280    HA   PHE  41           HA       PHE  41   0.854 -22.603   9.577
  281   1HB   PHE  41          1HB       PHE  41  -1.262 -22.349  10.593
  282   2HB   PHE  41          2HB       PHE  41  -0.966 -20.673  11.017
  283    HD1  PHE  41           HD1      PHE  41  -1.205 -18.885   9.367
  284    HD2  PHE  41           HD2      PHE  41  -1.955 -22.985   8.324
  285    HE1  PHE  41           HE1      PHE  41  -2.331 -18.151   7.282
  286    HE2  PHE  41           HE2      PHE  41  -3.079 -22.250   6.240
  287    HZ   PHE  41           HZ       PHE  41  -3.268 -19.832   5.719
  288    H    MET  42           H        MET  42   1.331 -21.722   7.561
  289    HA   MET  42           HA       MET  42   2.359 -18.903   7.539
  290   1HB   MET  42          1HB       MET  42   3.051 -21.201   5.680
  291   2HB   MET  42          2HB       MET  42   3.890 -19.660   5.820
  292   1HG   MET  42          1HG       MET  42   4.391 -20.256   8.231
  293   2HG   MET  42          2HG       MET  42   3.762 -21.868   7.890
  294   1HE   MET  42          1HE       MET  42   4.898 -23.442   7.744
  295   2HE   MET  42          2HE       MET  42   6.209 -23.835   6.634
  296   3HE   MET  42          3HE       MET  42   6.581 -23.201   8.234
  297    H    CYS  43           H        CYS  43   1.683 -17.577   5.784
  298    HA   CYS  43           HA       CYS  43  -0.939 -17.954   4.759
  299   1HB   CYS  43          1HB       CYS  43   0.439 -15.845   5.018
  300   2HB   CYS  43          2HB       CYS  43   1.314 -16.327   3.566
  301    HA   PRO  44           HA       PRO  44   0.011 -20.702   1.388
  302   1HB   PRO  44          1HB       PRO  44  -2.428 -20.646   0.162
  303   2HB   PRO  44          2HB       PRO  44  -2.121 -21.552   1.655
  304   1HG   PRO  44          2HG       PRO  44  -3.804 -20.228   2.448
  305   2HG   PRO  44          1HG       PRO  44  -3.500 -18.958   1.256
  306   1HD   PRO  44          1HD       PRO  44  -2.449 -17.848   2.929
  307   2HD   PRO  44          2HD       PRO  44  -2.375 -19.301   3.948
  308    H    ALA  45           H        ALA  45  -0.334 -17.394   1.186
  309    HA   ALA  45           HA       ALA  45  -0.001 -17.425  -1.790
  310   1HB   ALA  45          2HB       ALA  45  -1.219 -15.277  -0.031
  311   2HB   ALA  45          3HB       ALA  45  -1.184 -15.292  -1.794
  312   3HB   ALA  45          1HB       ALA  45  -2.152 -16.480  -0.921
  313    H    CYS  46           H        CYS  46   0.982 -15.909   1.279
  314    HA   CYS  46           HA       CYS  46   3.372 -14.854  -0.179
  315   1HB   CYS  46          1HB       CYS  46   3.111 -12.792   0.864
  316   2HB   CYS  46          2HB       CYS  46   1.439 -13.287   0.654
  317    H    ARG  47           H        ARG  47   2.507 -17.169   1.952
  318    HA   ARG  47           HA       ARG  47   3.712 -18.466   3.504
  319   1HB   ARG  47          1HB       ARG  47   5.520 -17.244   1.612
  320   2HB   ARG  47          2HB       ARG  47   6.324 -17.438   3.169
  321   1HG   ARG  47          1HG       ARG  47   6.671 -19.484   1.964
  322   2HG   ARG  47          2HG       ARG  47   5.448 -19.828   3.186
  323   1HD   ARG  47          1HD       ARG  47   3.840 -19.028   1.152
  324   2HD   ARG  47          2HD       ARG  47   5.182 -19.728   0.227
  325    HE   ARG  47           HE       ARG  47   3.637 -21.189   2.339
  326   1HH1  ARG  47          1HH1      ARG  47   5.803 -22.807   2.384
  327   2HH1  ARG  47          2HH1      ARG  47   5.798 -23.750   0.930
  328   1HH2  ARG  47          1HH2      ARG  47   3.598 -21.654  -0.738
  329   2HH2  ARG  47          2HH2      ARG  47   4.549 -23.098  -0.836
  330    H    SER  48           H        SER  48   2.896 -15.486   4.229
  331    HA   SER  48           HA       SER  48   4.868 -14.649   6.189
  332   1HB   SER  48          1HB       SER  48   2.927 -13.195   6.929
  333   2HB   SER  48          2HB       SER  48   3.319 -13.065   5.216
  334    HG   SER  48           HG       SER  48   1.296 -14.688   6.364
  335    HA   PRO  49           HA       PRO  49   3.767 -17.234   9.570
  336   1HB   PRO  49          1HB       PRO  49   3.926 -15.524  11.704
  337   2HB   PRO  49          2HB       PRO  49   5.351 -16.150  10.854
  338   1HG   PRO  49          2HG       PRO  49   5.718 -13.884  10.607
  339   2HG   PRO  49          1HG       PRO  49   3.989 -13.506  10.595
  340   1HD   PRO  49          1HD       PRO  49   4.320 -13.371   8.330
  341   2HD   PRO  49          2HD       PRO  49   5.737 -14.442   8.375
  342    H    LYS  50           H        LYS  50   1.908 -17.860  10.723
  343    HA   LYS  50           HA       LYS  50  -0.620 -16.845  10.066
  344   1HB   LYS  50          1HB       LYS  50  -0.021 -19.039  11.131
  345   2HB   LYS  50          2HB       LYS  50   0.254 -18.182  12.648
  346   1HG   LYS  50          1HG       LYS  50  -2.155 -17.286  12.349
  347   2HG   LYS  50          2HG       LYS  50  -2.341 -18.576  11.160
  348   1HD   LYS  50          1HD       LYS  50  -2.631 -20.085  12.806
  349   2HD   LYS  50          2HD       LYS  50  -1.077 -19.646  13.511
  350   1HE   LYS  50          1HE       LYS  50  -3.403 -17.804  13.961
  351   2HE   LYS  50          2HE       LYS  50  -3.310 -19.301  14.907
  352   1HZ   LYS  50          1HZ       LYS  50  -0.934 -18.708  15.342
  353   2HZ   LYS  50          2HZ       LYS  50  -1.232 -17.189  14.650
  354   3HZ   LYS  50          3HZ       LYS  50  -2.055 -17.654  16.062
  355    H    ASN  51           H        ASN  51   1.577 -15.791  12.624
  356    HA   ASN  51           HA       ASN  51  -0.317 -14.198  14.080
  357   1HB   ASN  51          1HB       ASN  51   2.345 -14.951  14.268
  358   2HB   ASN  51          2HB       ASN  51   2.451 -13.217  13.964
  359   2HD2  ASN  51          2HD2      ASN  51   3.232 -13.122  16.303
  360   1HD2  ASN  51          1HD2      ASN  51   2.071 -13.104  17.541
  361    H    GLN  52           H        GLN  52   1.042 -13.809  10.951
  362    HA   GLN  52           HA       GLN  52   0.869 -10.870  10.931
  363   1HB   GLN  52          1HB       GLN  52   2.152 -12.916   9.473
  364   2HB   GLN  52          2HB       GLN  52   1.016 -12.177   8.345
  365   1HG   GLN  52          1HG       GLN  52   3.053 -10.685  10.027
  366   2HG   GLN  52          2HG       GLN  52   3.197 -11.015   8.301
  367   2HE2  GLN  52          2HE2      GLN  52   0.690 -10.429   7.306
  368   1HE2  GLN  52          1HE2      GLN  52   0.283  -8.814   7.623
  369    H    PHE  53           H        PHE  53  -1.360 -13.409  10.762
  370    HA   PHE  53           HA       PHE  53  -3.147 -12.211   8.751
  371   1HB   PHE  53          1HB       PHE  53  -3.095 -14.576  10.605
  372   2HB   PHE  53          2HB       PHE  53  -4.633 -14.085   9.899
  373    HD1  PHE  53           HD1      PHE  53  -1.127 -15.042   9.042
  374    HD2  PHE  53           HD2      PHE  53  -5.169 -14.601   7.654
  375    HE1  PHE  53           HE1      PHE  53  -0.524 -16.179   6.921
  376    HE2  PHE  53           HE2      PHE  53  -4.564 -15.737   5.534
  377    HZ   PHE  53           HZ       PHE  53  -2.243 -16.527   5.169
  378    H    LYS  54           H        LYS  54  -5.214 -11.264   9.307
  379    HA   LYS  54           HA       LYS  54  -5.651 -10.603  12.184
  380   1HB   LYS  54          1HB       LYS  54  -4.294  -8.837  10.968
  381   2HB   LYS  54          2HB       LYS  54  -5.692  -8.578   9.926
  382   1HG   LYS  54          1HG       LYS  54  -7.034  -7.821  11.738
  383   2HG   LYS  54          2HG       LYS  54  -5.899  -8.438  12.938
  384   1HD   LYS  54          1HD       LYS  54  -4.856  -6.443  12.949
  385   2HD   LYS  54          2HD       LYS  54  -4.459  -6.655  11.243
  386   1HE   LYS  54          2HE       LYS  54  -6.816  -5.795  10.724
  387   2HE   LYS  54          1HE       LYS  54  -5.720  -4.592  11.430
  388   1HZ   LYS  54          1HZ       LYS  54  -6.572  -5.213  13.633
  389   2HZ   LYS  54          2HZ       LYS  54  -7.812  -4.616  12.635
  390   3HZ   LYS  54          3HZ       LYS  54  -7.670  -6.286  12.912
  391    H    SER  55           H        SER  55  -7.814 -10.815  12.687
  392    HA   SER  55           HA       SER  55  -9.730 -11.782  10.824
  393   1HB   SER  55          1HB       SER  55 -11.330 -11.057  12.694
  394   2HB   SER  55          2HB       SER  55 -10.042 -12.158  13.143
  395    HG   SER  55           HG       SER  55  -9.051 -10.621  14.227
  396    H    ILE  56           H        ILE  56 -11.865 -10.581  10.443
  397    HA   ILE  56           HA       ILE  56 -11.701  -7.654  10.213
  398    HB   ILE  56           HB       ILE  56 -10.355  -8.483   8.309
  399   1HG1  ILE  56          1HG1      ILE  56 -12.830  -7.640   6.916
  400   2HG1  ILE  56          2HG1      ILE  56 -12.295  -6.580   8.221
  401   1HG2  ILE  56          1HG2      ILE  56 -12.386 -10.468   8.225
  402   2HG2  ILE  56          2HG2      ILE  56 -12.466  -9.582   6.703
  403   3HG2  ILE  56          3HG2      ILE  56 -10.955 -10.344   7.201
  404   1HD1  ILE  56          1HD1      ILE  56  -9.924  -7.067   6.973
  405   2HD1  ILE  56          2HD1      ILE  56 -11.029  -7.140   5.601
  406   3HD1  ILE  56          3HD1      ILE  56 -10.957  -5.687   6.599
  407    H    LYS  57           H        LYS  57 -13.646  -7.955  11.531
  408    HA   LYS  57           HA       LYS  57 -16.006  -9.054  10.049
  409   1HB   LYS  57          1HB       LYS  57 -16.970  -9.161  12.374
  410   2HB   LYS  57          2HB       LYS  57 -15.505 -10.124  12.184
  411   1HG   LYS  57          1HG       LYS  57 -14.243  -8.713  13.498
  412   2HG   LYS  57          2HG       LYS  57 -15.169  -7.284  13.035
  413   1HD   LYS  57          1HD       LYS  57 -16.764  -7.625  14.660
  414   2HD   LYS  57          2HD       LYS  57 -16.604  -9.380  14.597
  415   1HE   LYS  57          1HE       LYS  57 -14.122  -8.644  15.527
  416   2HE   LYS  57          2HE       LYS  57 -15.169  -7.430  16.287
  417   1HZ   LYS  57          1HZ       LYS  57 -16.705  -9.386  16.767
  418   2HZ   LYS  57          2HZ       LYS  57 -15.375 -10.384  16.415
  419   3HZ   LYS  57          3HZ       LYS  57 -15.289  -9.281  17.701
  420    H    LYS  58           H        LYS  58 -15.730  -6.771   8.934
  421    HA   LYS  58           HA       LYS  58 -17.578  -4.907  10.349
  422   1HB   LYS  58          1HB       LYS  58 -14.729  -4.492   9.556
  423   2HB   LYS  58          2HB       LYS  58 -15.831  -3.131   9.353
  424   1HG   LYS  58          1HG       LYS  58 -16.308  -3.012  11.647
  425   2HG   LYS  58          2HG       LYS  58 -15.804  -4.676  11.935
  426   1HD   LYS  58          1HD       LYS  58 -13.656  -4.061  12.284
  427   2HD   LYS  58          2HD       LYS  58 -13.641  -3.043  10.844
  428   1HE   LYS  58          2HE       LYS  58 -15.063  -1.384  12.265
  429   2HE   LYS  58          1HE       LYS  58 -13.338  -1.517  12.655
  430   1HZ   LYS  58          1HZ       LYS  58 -13.892  -3.213  14.301
  431   2HZ   LYS  58          2HZ       LYS  58 -14.693  -1.761  14.651
  432   3HZ   LYS  58          3HZ       LYS  58 -15.544  -3.049  13.942
  433    H    VAL  59           H        VAL  59 -19.154  -4.286   8.923
  434    HA   VAL  59           HA       VAL  59 -19.057  -5.016   6.120
  435    HB   VAL  59           HB       VAL  59 -21.231  -3.774   6.111
  436   1HG1  VAL  59          1HG1      VAL  59 -20.589  -5.733   8.312
  437   2HG1  VAL  59          2HG1      VAL  59 -22.228  -5.116   8.101
  438   3HG1  VAL  59          3HG1      VAL  59 -21.451  -6.020   6.800
  439   1HG2  VAL  59          1HG2      VAL  59 -20.234  -2.089   7.854
  440   2HG2  VAL  59          2HG2      VAL  59 -21.949  -2.494   7.936
  441   3HG2  VAL  59          3HG2      VAL  59 -20.808  -3.258   9.044
  442    H    ILE  60           H        ILE  60 -18.914  -3.568   4.308
  443    HA   ILE  60           HA       ILE  60 -17.870  -0.828   4.935
  444    HB   ILE  60           HB       ILE  60 -16.274  -1.224   3.045
  445   1HG1  ILE  60          1HG1      ILE  60 -16.925  -4.146   3.206
  446   2HG1  ILE  60          2HG1      ILE  60 -17.912  -3.113   2.171
  447   1HG2  ILE  60          1HG2      ILE  60 -16.257  -3.166   5.371
  448   2HG2  ILE  60          2HG2      ILE  60 -14.887  -2.952   4.281
  449   3HG2  ILE  60          3HG2      ILE  60 -15.444  -1.604   5.273
  450   1HD1  ILE  60          1HD1      ILE  60 -15.814  -2.286   1.082
  451   2HD1  ILE  60          2HD1      ILE  60 -14.900  -3.446   2.045
  452   3HD1  ILE  60          3HD1      ILE  60 -16.070  -4.017   0.855
  453    H    ALA  61           H        ALA  61 -20.491  -0.901   4.397
  454    HA   ALA  61           HA       ALA  61 -20.761  -0.375   1.454
  455   1HB   ALA  61          2HB       ALA  61 -23.038  -0.897   3.351
  456   2HB   ALA  61          3HB       ALA  61 -22.934  -1.244   1.624
  457   3HB   ALA  61          1HB       ALA  61 -22.052  -2.243   2.780
  458    H    GLY  62           H        GLY  62 -21.129   0.926   4.675
  459   1HA   GLY  62          1HA       GLY  62 -21.233   3.630   3.815
  460   2HA   GLY  62          2HA       GLY  62 -22.887   3.100   4.118
  461    H    PHE  63           H        PHE  63 -23.594   3.160   6.212
  462    HA   PHE  63           HA       PHE  63 -21.690   2.900   8.456
  463   1HB   PHE  63          1HB       PHE  63 -22.310   5.151   9.328
  464   2HB   PHE  63          2HB       PHE  63 -21.499   5.254   7.764
  465    HD1  PHE  63           HD1      PHE  63 -22.809   5.676   5.694
  466    HD2  PHE  63           HD2      PHE  63 -24.630   5.750   9.584
  467    HE1  PHE  63           HE1      PHE  63 -24.782   6.843   4.747
  468    HE2  PHE  63           HE2      PHE  63 -26.604   6.917   8.637
  469    HZ   PHE  63           HZ       PHE  63 -26.680   7.463   6.219
  470    H    ALA  64           H        ALA  64 -24.087   1.451   7.510
  471    HA   ALA  64           HA       ALA  64 -26.094   0.562   8.394
  472   1HB   ALA  64          2HB       ALA  64 -24.951   1.669  10.973
  473   2HB   ALA  64          1HB       ALA  64 -24.319   0.222  10.189
  474   3HB   ALA  64          3HB       ALA  64 -25.980   0.250  10.781
  475    H    GLU  65           H        GLU  65 -27.242   2.417   7.258
  476    HA   GLU  65           HA       GLU  65 -27.906   4.902   8.388
  477   1HB   GLU  65          1HB       GLU  65 -28.875   3.069   6.349
  478   2HB   GLU  65          2HB       GLU  65 -30.212   3.937   7.104
  479   1HG   GLU  65          1HG       GLU  65 -29.352   6.042   6.488
  480   2HG   GLU  65          2HG       GLU  65 -27.730   5.403   6.222
  481    H    ASN  66           H        ASN  66 -29.572   5.593   9.806
  482    HA   ASN  66           HA       ASN  66 -30.914   3.409  11.370
  483   1HB   ASN  66          1HB       ASN  66 -29.886   6.143  12.200
  484   2HB   ASN  66          2HB       ASN  66 -30.731   5.023  13.270
  485   2HD2  ASN  66          2HD2      ASN  66 -28.012   5.871  13.756
  486   1HD2  ASN  66          1HD2      ASN  66 -27.005   4.515  13.590
  487    H    GLN  67           H        GLN  67 -32.073   4.611   9.003
  488    HA   GLN  67           HA       GLN  67 -34.323   6.162  10.249
  489   1HB   GLN  67          1HB       GLN  67 -32.478   7.084   8.455
  490   2HB   GLN  67          2HB       GLN  67 -33.738   6.505   7.366
  491   1HG   GLN  67          1HG       GLN  67 -35.336   7.784   9.038
  492   2HG   GLN  67          2HG       GLN  67 -33.867   8.675   9.434
  493   2HE2  GLN  67          2HE2      GLN  67 -34.565  10.651   8.380
  494   1HE2  GLN  67          1HE2      GLN  67 -34.717  10.764   6.693
  495    H    LYS  68           H        LYS  68 -36.090   6.144   8.160
  496    HA   LYS  68           HA       LYS  68 -36.716   3.235   7.875
  497   1HB   LYS  68          1HB       LYS  68 -38.264   4.850   9.046
  498   2HB   LYS  68          2HB       LYS  68 -38.468   5.684   7.507
  499   1HG   LYS  68          2HG       LYS  68 -38.873   2.951   6.948
  500   2HG   LYS  68          1HG       LYS  68 -40.102   4.216   7.006
  501   1HD   LYS  68          1HD       LYS  68 -40.456   2.179   8.543
  502   2HD   LYS  68          2HD       LYS  68 -39.131   2.828   9.509
  503   1HE   LYS  68          1HE       LYS  68 -40.653   5.073   9.189
  504   2HE   LYS  68          2HE       LYS  68 -41.909   3.820   9.217
  505   1HZ   LYS  68          1HZ       LYS  68 -40.753   2.866  11.180
  506   2HZ   LYS  68          2HZ       LYS  68 -39.727   4.221  11.200
  507   3HZ   LYS  68          3HZ       LYS  68 -41.391   4.415  11.470
  508    H    TYR  69           H        TYR  69 -35.727   2.606   5.937
  509    HA   TYR  69           HA       TYR  69 -36.892   3.587   3.447
  510   1HB   TYR  69          1HB       TYR  69 -35.055   5.244   4.314
  511   2HB   TYR  69          2HB       TYR  69 -33.925   4.009   3.759
  512    HD1  TYR  69           HD1      TYR  69 -34.264   3.121   1.329
  513    HD2  TYR  69           HD2      TYR  69 -35.928   6.803   2.790
  514    HE1  TYR  69           HE1      TYR  69 -34.529   3.928  -1.002
  515    HE2  TYR  69           HE2      TYR  69 -36.191   7.608   0.460
  516    HH   TYR  69           HH       TYR  69 -34.898   5.795  -2.269
  517    H    GLY  70           H        GLY  70 -37.289   1.198   3.496
  518   1HA   GLY  70          1HA       GLY  70 -34.845  -0.394   2.844
  519   2HA   GLY  70          2HA       GLY  70 -36.331  -1.082   3.498

  No H/Q in entry =         519
  Start of MODEL    9
    1    H1   MET   1          1H        MET   1 -16.764  -5.214   3.106
    2    H2   MET   1          2H        MET   1 -16.373  -3.696   2.457
    3    H3   MET   1          3H        MET   1 -16.665  -3.856   4.124
    4    HA   MET   1           HA       MET   1 -18.640  -2.925   3.295
    5   1HB   MET   1          1HB       MET   1 -17.613  -3.913   0.949
    6   2HB   MET   1          2HB       MET   1 -19.013  -4.959   1.184
    7   1HG   MET   1          1HG       MET   1 -20.519  -3.218   0.987
    8   2HG   MET   1          2HG       MET   1 -19.384  -2.025   1.618
    9   1HE   MET   1          1HE       MET   1 -18.019  -0.608   0.475
   10   2HE   MET   1          2HE       MET   1 -18.178  -0.234  -1.239
   11   3HE   MET   1          3HE       MET   1 -19.590  -0.133  -0.189
   12    H    GLU   2           H        GLU   2 -19.227  -3.947   5.363
   13    HA   GLU   2           HA       GLU   2 -20.468  -5.465   6.691
   14   1HB   GLU   2          1HB       GLU   2 -21.977  -4.672   4.701
   15   2HB   GLU   2          2HB       GLU   2 -21.747  -6.314   4.099
   16   1HG   GLU   2          1HG       GLU   2 -22.564  -5.898   6.960
   17   2HG   GLU   2          2HG       GLU   2 -23.780  -5.775   5.689
   18    H    ILE   3           H        ILE   3 -18.223  -6.667   6.670
   19    HA   ILE   3           HA       ILE   3 -18.708  -9.434   5.629
   20    HB   ILE   3           HB       ILE   3 -16.236  -9.456   5.110
   21   1HG1  ILE   3          1HG1      ILE   3 -16.512  -6.482   5.644
   22   2HG1  ILE   3          2HG1      ILE   3 -15.592  -7.617   6.630
   23   1HG2  ILE   3          1HG2      ILE   3 -18.360  -7.995   3.740
   24   2HG2  ILE   3          2HG2      ILE   3 -16.760  -7.384   3.320
   25   3HG2  ILE   3          3HG2      ILE   3 -17.145  -9.088   3.076
   26   1HD1  ILE   3          1HD1      ILE   3 -15.073  -7.194   3.676
   27   2HD1  ILE   3          2HD1      ILE   3 -14.219  -6.309   4.940
   28   3HD1  ILE   3          3HD1      ILE   3 -14.061  -8.062   4.830
   29    H    ASP   4           H        ASP   4 -18.256 -11.021   7.128
   30    HA   ASP   4           HA       ASP   4 -16.324 -10.866   9.214
   31   1HB   ASP   4          1HB       ASP   4 -17.883 -10.547  11.111
   32   2HB   ASP   4          2HB       ASP   4 -17.811  -9.117  10.082
   33    H    GLU   5           H        GLU   5 -15.924 -12.981   9.174
   34    HA   GLU   5           HA       GLU   5 -17.889 -14.941  10.065
   35   1HB   GLU   5          1HB       GLU   5 -18.350 -14.370   7.583
   36   2HB   GLU   5          2HB       GLU   5 -16.851 -15.234   7.240
   37   1HG   GLU   5          1HG       GLU   5 -17.830 -17.180   8.580
   38   2HG   GLU   5          2HG       GLU   5 -19.369 -16.320   8.520
   39    H    GLY   6           H        GLY   6 -15.350 -14.248  11.056
   40   1HA   GLY   6          1HA       GLY   6 -13.382 -15.291  11.793
   41   2HA   GLY   6          2HA       GLY   6 -14.036 -16.798  11.158
   42    H    LYS   7           H        LYS   7 -13.877 -14.226   8.881
   43    HA   LYS   7           HA       LYS   7 -11.823 -15.663   7.339
   44   1HB   LYS   7          1HB       LYS   7 -13.952 -13.703   6.960
   45   2HB   LYS   7          2HB       LYS   7 -12.487 -13.243   6.092
   46   1HG   LYS   7          1HG       LYS   7 -12.451 -15.719   5.296
   47   2HG   LYS   7          2HG       LYS   7 -14.140 -15.748   5.804
   48   1HD   LYS   7          1HD       LYS   7 -13.730 -13.347   4.320
   49   2HD   LYS   7          2HD       LYS   7 -13.029 -14.671   3.391
   50   1HE   LYS   7          1HE       LYS   7 -15.074 -15.689   3.056
   51   2HE   LYS   7          2HE       LYS   7 -15.706 -15.160   4.626
   52   1HZ   LYS   7          1HZ       LYS   7 -15.517 -12.825   3.662
   53   2HZ   LYS   7          2HZ       LYS   7 -15.368 -13.572   2.146
   54   3HZ   LYS   7          3HZ       LYS   7 -16.779 -13.796   3.066
   55    H    TYR   8           H        TYR   8  -9.725 -14.843   6.911
   56    HA   TYR   8           HA       TYR   8  -8.984 -12.318   8.355
   57   1HB   TYR   8          1HB       TYR   8  -7.730 -15.063   8.327
   58   2HB   TYR   8          2HB       TYR   8  -6.765 -13.643   8.720
   59    HD1  TYR   8           HD1      TYR   8 -10.001 -15.307   9.609
   60    HD2  TYR   8           HD2      TYR   8  -6.733 -12.847  10.919
   61    HE1  TYR   8           HE1      TYR   8 -10.911 -15.335  11.916
   62    HE2  TYR   8           HE2      TYR   8  -7.643 -12.868  13.227
   63    HH   TYR   8           HH       TYR   8 -10.084 -13.220  14.240
   64    H    GLU   9           H        GLU   9  -7.517 -10.994   7.256
   65    HA   GLU   9           HA       GLU   9  -6.795 -11.859   4.477
   66   1HB   GLU   9          1HB       GLU   9  -8.343  -9.946   4.685
   67   2HB   GLU   9          2HB       GLU   9  -7.187  -9.115   5.725
   68   1HG   GLU   9          1HG       GLU   9  -6.109 -10.047   3.129
   69   2HG   GLU   9          2HG       GLU   9  -7.314  -8.765   3.025
   70    H    CYS  10           H        CYS  10  -4.614 -11.928   3.970
   71    HA   CYS  10           HA       CYS  10  -2.639 -11.583   6.089
   72   1HB   CYS  10          1HB       CYS  10  -2.773 -13.220   4.041
   73   2HB   CYS  10          2HB       CYS  10  -2.064 -11.880   3.161
   74    H    GLU  11           H        GLU  11  -1.990  -9.517   6.638
   75    HA   GLU  11           HA       GLU  11  -2.187  -7.251   4.834
   76   1HB   GLU  11          1HB       GLU  11  -1.580  -7.859   7.572
   77   2HB   GLU  11          2HB       GLU  11  -0.300  -6.828   6.934
   78   1HG   GLU  11          1HG       GLU  11  -1.917  -5.170   6.210
   79   2HG   GLU  11          2HG       GLU  11  -3.259  -6.230   6.642
   80    H    ALA  12           H        ALA  12   0.041  -9.831   5.112
   81    HA   ALA  12           HA       ALA  12   2.413  -8.348   4.235
   82   1HB   ALA  12          1HB       ALA  12   1.636 -11.144   4.958
   83   2HB   ALA  12          2HB       ALA  12   3.111 -10.908   4.020
   84   3HB   ALA  12          3HB       ALA  12   2.937 -10.142   5.599
   85    H    CYS  13           H        CYS  13   0.086 -10.649   2.724
   86    HA   CYS  13           HA       CYS  13   1.312  -9.872   0.103
   87   1HB   CYS  13          2HB       CYS  13   1.749 -12.203   1.058
   88   2HB   CYS  13          1HB       CYS  13   1.140 -12.140  -0.591
   89    H    GLY  14           H        GLY  14  -1.691 -10.602   1.828
   90   1HA   GLY  14          1HA       GLY  14  -3.681  -9.258   1.199
   91   2HA   GLY  14          2HA       GLY  14  -3.160  -9.390  -0.479
   92    H    TYR  15           H        TYR  15  -2.879 -12.189   1.533
   93    HA   TYR  15           HA       TYR  15  -4.777 -13.664  -0.148
   94   1HB   TYR  15          1HB       TYR  15  -2.650 -14.641   0.523
   95   2HB   TYR  15          2HB       TYR  15  -3.013 -14.356   2.225
   96    HD1  TYR  15           HD1      TYR  15  -4.661 -15.717   3.411
   97    HD2  TYR  15           HD2      TYR  15  -3.755 -16.427  -0.726
   98    HE1  TYR  15           HE1      TYR  15  -5.799 -17.914   3.542
   99    HE2  TYR  15           HE2      TYR  15  -4.892 -18.626  -0.597
  100    HH   TYR  15           HH       TYR  15  -6.280 -19.910   0.662
  101    H    ILE  16           H        ILE  16  -6.433 -15.105   1.032
  102    HA   ILE  16           HA       ILE  16  -7.558 -13.722   3.442
  103    HB   ILE  16           HB       ILE  16  -8.975 -14.642   0.925
  104   1HG1  ILE  16          1HG1      ILE  16  -7.668 -12.530   0.755
  105   2HG1  ILE  16          2HG1      ILE  16  -9.402 -12.265   0.579
  106   1HG2  ILE  16          1HG2      ILE  16  -9.925 -14.081   3.642
  107   2HG2  ILE  16          2HG2      ILE  16 -10.729 -13.099   2.417
  108   3HG2  ILE  16          3HG2      ILE  16 -10.763 -14.858   2.300
  109   1HD1  ILE  16          1HD1      ILE  16  -8.707 -12.128   3.367
  110   2HD1  ILE  16          2HD1      ILE  16  -7.635 -11.065   2.456
  111   3HD1  ILE  16          3HD1      ILE  16  -9.383 -10.861   2.342
  112    H    TYR  17           H        TYR  17  -7.546 -15.244   5.034
  113    HA   TYR  17           HA       TYR  17  -7.593 -18.112   4.449
  114   1HB   TYR  17          1HB       TYR  17  -6.281 -17.257   6.300
  115   2HB   TYR  17          2HB       TYR  17  -7.687 -16.443   6.982
  116    HD1  TYR  17           HD1      TYR  17  -6.478 -19.851   5.994
  117    HD2  TYR  17           HD2      TYR  17  -9.001 -17.541   8.597
  118    HE1  TYR  17           HE1      TYR  17  -7.062 -21.907   7.253
  119    HE2  TYR  17           HE2      TYR  17  -9.590 -19.599   9.852
  120    HH   TYR  17           HH       TYR  17  -9.559 -21.900   9.720
  121    H    GLU  18           H        GLU  18  -9.371 -19.450   4.550
  122    HA   GLU  18           HA       GLU  18 -11.987 -18.203   5.323
  123   1HB   GLU  18          1HB       GLU  18 -11.377 -20.429   3.352
  124   2HB   GLU  18          2HB       GLU  18 -12.949 -19.676   3.617
  125   1HG   GLU  18          1HG       GLU  18 -12.087 -17.524   2.838
  126   2HG   GLU  18          2HG       GLU  18 -10.471 -18.209   2.662
  127    HA   PRO  19           HA       PRO  19 -11.555 -21.455   8.431
  128   1HB   PRO  19          1HB       PRO  19 -13.734 -20.690   9.912
  129   2HB   PRO  19          2HB       PRO  19 -12.145 -19.934  10.048
  130   1HG   PRO  19          1HG       PRO  19 -14.565 -18.980   8.618
  131   2HG   PRO  19          2HG       PRO  19 -13.358 -18.069   9.527
  132   1HD   PRO  19          1HD       PRO  19 -13.416 -18.201   6.797
  133   2HD   PRO  19          2HD       PRO  19 -11.940 -17.912   7.740
  134    H    GLU  20           H        GLU  20 -14.894 -20.534   7.668
  135    HA   GLU  20           HA       GLU  20 -16.164 -23.002   7.858
  136   1HB   GLU  20          1HB       GLU  20 -16.943 -20.565   7.245
  137   2HB   GLU  20          2HB       GLU  20 -16.756 -21.126   5.584
  138   1HG   GLU  20          1HG       GLU  20 -18.268 -22.837   7.531
  139   2HG   GLU  20          2HG       GLU  20 -19.066 -21.425   6.837
  140    H    LYS  21           H        LYS  21 -13.968 -21.914   5.344
  141    HA   LYS  21           HA       LYS  21 -14.629 -24.236   3.615
  142   1HB   LYS  21          1HB       LYS  21 -13.869 -21.562   3.233
  143   2HB   LYS  21          2HB       LYS  21 -12.456 -22.507   2.761
  144   1HG   LYS  21          1HG       LYS  21 -15.157 -23.385   1.805
  145   2HG   LYS  21          2HG       LYS  21 -14.383 -22.013   1.013
  146   1HD   LYS  21          1HD       LYS  21 -12.856 -23.336  -0.012
  147   2HD   LYS  21          2HD       LYS  21 -12.550 -24.257   1.459
  148   1HE   LYS  21          1HE       LYS  21 -13.637 -25.955   0.381
  149   2HE   LYS  21          2HE       LYS  21 -15.117 -25.055   0.764
  150   1HZ   LYS  21          1HZ       LYS  21 -13.417 -24.496  -1.611
  151   2HZ   LYS  21          2HZ       LYS  21 -14.773 -25.520  -1.662
  152   3HZ   LYS  21          3HZ       LYS  21 -14.964 -23.878  -1.283
  153    H    GLY  22           H        GLY  22 -11.866 -22.840   5.372
  154   1HA   GLY  22          1HA       GLY  22 -10.212 -24.193   6.507
  155   2HA   GLY  22          2HA       GLY  22 -10.669 -25.555   5.485
  156    H    ASP  23           H        ASP  23  -7.975 -24.507   5.931
  157    HA   ASP  23           HA       ASP  23  -7.199 -23.106   3.464
  158   1HB   ASP  23          1HB       ASP  23  -6.259 -23.269   6.041
  159   2HB   ASP  23          2HB       ASP  23  -5.153 -24.348   5.191
  160    H    LYS  24           H        LYS  24  -8.356 -25.249   2.461
  161    HA   LYS  24           HA       LYS  24  -7.187 -27.766   2.330
  162   1HB   LYS  24          1HB       LYS  24  -8.934 -26.097   0.782
  163   2HB   LYS  24          2HB       LYS  24  -7.861 -26.959  -0.320
  164   1HG   LYS  24          1HG       LYS  24  -8.437 -29.039   1.172
  165   2HG   LYS  24          2HG       LYS  24  -9.830 -28.074   1.662
  166   1HD   LYS  24          1HD       LYS  24 -10.862 -28.773  -0.217
  167   2HD   LYS  24          2HD       LYS  24  -9.707 -27.801  -1.129
  168   1HE   LYS  24          1HE       LYS  24  -8.171 -29.705  -1.283
  169   2HE   LYS  24          2HE       LYS  24  -9.252 -30.684  -0.273
  170   1HZ   LYS  24          1HZ       LYS  24 -10.230 -29.325  -2.713
  171   2HZ   LYS  24          2HZ       LYS  24  -9.508 -30.860  -2.805
  172   3HZ   LYS  24          3HZ       LYS  24 -10.916 -30.641  -1.887
  173    H    PHE  25           H        PHE  25  -5.898 -24.771   1.024
  174    HA   PHE  25           HA       PHE  25  -3.923 -26.077  -0.702
  175   1HB   PHE  25          1HB       PHE  25  -4.996 -23.457  -0.160
  176   2HB   PHE  25          2HB       PHE  25  -3.235 -23.386  -0.104
  177    HD1  PHE  25           HD1      PHE  25  -5.676 -25.388  -2.140
  178    HD2  PHE  25           HD2      PHE  25  -2.380 -22.634  -2.140
  179    HE1  PHE  25           HE1      PHE  25  -5.596 -25.484  -4.618
  180    HE2  PHE  25           HE2      PHE  25  -2.299 -22.730  -4.616
  181    HZ   PHE  25           HZ       PHE  25  -3.907 -24.155  -5.855
  182    H    ALA  26           H        ALA  26  -4.114 -25.118   2.645
  183    HA   ALA  26           HA       ALA  26  -1.150 -25.361   2.949
  184   1HB   ALA  26          3HB       ALA  26  -1.809 -23.409   4.004
  185   2HB   ALA  26          1HB       ALA  26  -3.407 -24.043   4.393
  186   3HB   ALA  26          2HB       ALA  26  -2.009 -24.536   5.346
  187    H    GLY  27           H        GLY  27  -4.214 -26.819   3.892
  188   1HA   GLY  27          1HA       GLY  27  -3.986 -29.323   4.293
  189   2HA   GLY  27          2HA       GLY  27  -2.677 -28.900   5.396
  190    H    ILE  28           H        ILE  28  -5.703 -27.083   5.095
  191    HA   ILE  28           HA       ILE  28  -6.472 -28.084   7.811
  192    HB   ILE  28           HB       ILE  28  -6.364 -25.282   6.668
  193   1HG1  ILE  28          1HG1      ILE  28  -5.296 -25.813   9.339
  194   2HG1  ILE  28          2HG1      ILE  28  -4.524 -26.792   8.094
  195   1HG2  ILE  28          1HG2      ILE  28  -8.493 -25.590   7.899
  196   2HG2  ILE  28          2HG2      ILE  28  -7.591 -26.193   9.290
  197   3HG2  ILE  28          3HG2      ILE  28  -7.396 -24.519   8.771
  198   1HD1  ILE  28          1HD1      ILE  28  -4.082 -24.754   6.769
  199   2HD1  ILE  28          2HD1      ILE  28  -4.852 -23.776   8.018
  200   3HD1  ILE  28          3HD1      ILE  28  -3.353 -24.637   8.370
  201    HA   PRO  29           HA       PRO  29 -10.207 -28.841   5.461
  202   1HB   PRO  29          1HB       PRO  29 -11.677 -29.900   7.512
  203   2HB   PRO  29          2HB       PRO  29 -10.428 -30.813   6.645
  204   1HG   PRO  29          1HG       PRO  29 -10.310 -29.478   9.301
  205   2HG   PRO  29          2HG       PRO  29  -9.587 -31.003   8.773
  206   1HD   PRO  29          1HD       PRO  29  -8.207 -28.643   9.021
  207   2HD   PRO  29          2HD       PRO  29  -7.727 -29.970   7.944
  208    HA   PRO  30           HA       PRO  30 -12.917 -25.506   6.471
  209   1HB   PRO  30          1HB       PRO  30 -15.425 -26.558   6.224
  210   2HB   PRO  30          2HB       PRO  30 -14.382 -26.221   4.827
  211   1HG   PRO  30          2HG       PRO  30 -14.782 -28.473   4.500
  212   2HG   PRO  30          1HG       PRO  30 -14.904 -28.799   6.235
  213   1HD   PRO  30          1HD       PRO  30 -12.756 -29.567   5.935
  214   2HD   PRO  30          2HD       PRO  30 -12.475 -28.522   4.526
  215    H    GLY  31           H        GLY  31 -15.337 -25.413   7.794
  216   1HA   GLY  31          1HA       GLY  31 -16.133 -25.227  10.005
  217   2HA   GLY  31          2HA       GLY  31 -15.757 -26.947  10.089
  218    H    THR  32           H        THR  32 -13.211 -24.632   9.488
  219    HA   THR  32           HA       THR  32 -12.246 -25.020  12.302
  220    HB   THR  32           HB       THR  32 -10.728 -25.002   9.673
  221    HG1  THR  32           HG1      THR  32 -10.683 -27.117   9.897
  222   1HG2  THR  32          1HG2      THR  32  -9.592 -23.992  11.758
  223   2HG2  THR  32          2HG2      THR  32  -9.604 -25.635  12.400
  224   3HG2  THR  32          3HG2      THR  32  -8.731 -25.276  10.910
  225    HA   PRO  33           HA       PRO  33 -12.365 -20.533  11.873
  226   1HB   PRO  33          1HB       PRO  33 -11.850 -19.976  14.501
  227   2HB   PRO  33          2HB       PRO  33 -13.456 -20.437  13.906
  228   1HG   PRO  33          1HG       PRO  33 -11.402 -22.079  15.305
  229   2HG   PRO  33          2HG       PRO  33 -13.163 -22.092  15.475
  230   1HD   PRO  33          1HD       PRO  33 -11.755 -23.948  14.038
  231   2HD   PRO  33          2HD       PRO  33 -13.444 -23.516  13.707
  232    H    PHE  34           H        PHE  34 -10.731 -18.934  11.794
  233    HA   PHE  34           HA       PHE  34  -8.061 -19.712  11.323
  234   1HB   PHE  34          1HB       PHE  34  -8.978 -17.638  10.521
  235   2HB   PHE  34          2HB       PHE  34  -9.376 -17.109  12.145
  236    HD1  PHE  34           HD1      PHE  34  -6.587 -17.767   9.789
  237    HD2  PHE  34           HD2      PHE  34  -7.738 -16.089  13.571
  238    HE1  PHE  34           HE1      PHE  34  -4.364 -16.684   9.984
  239    HE2  PHE  34           HE2      PHE  34  -5.516 -15.005  13.766
  240    HZ   PHE  34           HZ       PHE  34  -3.829 -15.302  11.973
  241    H    VAL  35           H        VAL  35  -9.675 -18.976  14.356
  242    HA   VAL  35           HA       VAL  35  -7.310 -18.482  15.937
  243    HB   VAL  35           HB       VAL  35  -8.904 -18.796  17.793
  244   1HG1  VAL  35          1HG1      VAL  35  -8.943 -16.722  16.342
  245   2HG1  VAL  35          2HG1      VAL  35 -10.290 -17.446  15.462
  246   3HG1  VAL  35          3HG1      VAL  35 -10.460 -17.062  17.175
  247   1HG2  VAL  35          1HG2      VAL  35 -10.299 -20.348  15.707
  248   2HG2  VAL  35          2HG2      VAL  35 -10.358 -20.515  17.462
  249   3HG2  VAL  35          3HG2      VAL  35 -11.350 -19.298  16.659
  250    H    ASP  36           H        ASP  36  -8.899 -21.383  14.801
  251    HA   ASP  36           HA       ASP  36  -7.529 -23.135  16.738
  252   1HB   ASP  36          1HB       ASP  36  -9.896 -23.270  15.531
  253   2HB   ASP  36          2HB       ASP  36  -8.956 -24.088  14.284
  254    H    LEU  37           H        LEU  37  -6.656 -21.626  13.825
  255    HA   LEU  37           HA       LEU  37  -5.300 -23.566  12.318
  256   1HB   LEU  37          1HB       LEU  37  -4.841 -20.660  12.973
  257   2HB   LEU  37          2HB       LEU  37  -3.715 -21.515  11.919
  258    HG   LEU  37           HG       LEU  37  -6.709 -21.270  11.488
  259   1HD1  LEU  37          1HD1      LEU  37  -5.159 -19.236  11.099
  260   2HD1  LEU  37          2HD1      LEU  37  -4.495 -20.166   9.754
  261   3HD1  LEU  37          3HD1      LEU  37  -6.203 -19.725   9.764
  262   1HD2  LEU  37          1HD2      LEU  37  -4.567 -22.925  10.250
  263   2HD2  LEU  37          2HD2      LEU  37  -6.296 -23.246  10.396
  264   3HD2  LEU  37          3HD2      LEU  37  -5.705 -22.157   9.141
  265    H    SER  38           H        SER  38  -2.961 -24.106  12.302
  266    HA   SER  38           HA       SER  38  -1.963 -25.052  14.783
  267   1HB   SER  38          1HB       SER  38  -1.342 -25.215  12.091
  268   2HB   SER  38          2HB       SER  38   0.048 -24.356  12.754
  269    HG   SER  38           HG       SER  38   0.485 -26.026  14.065
  270    H    ASP  39           H        ASP  39  -0.296 -24.213  16.161
  271    HA   ASP  39           HA       ASP  39  -0.347 -21.454  16.770
  272   1HB   ASP  39          1HB       ASP  39   0.446 -23.430  18.155
  273   2HB   ASP  39          2HB       ASP  39   1.947 -23.382  17.231
  274    H    SER  40           H        SER  40   1.554 -23.198  14.390
  275    HA   SER  40           HA       SER  40   3.002 -20.646  13.750
  276   1HB   SER  40          1HB       SER  40   3.852 -23.380  14.252
  277   2HB   SER  40          2HB       SER  40   4.399 -22.830  12.668
  278    HG   SER  40           HG       SER  40   5.913 -21.952  13.851
  279    H    PHE  41           H        PHE  41   0.393 -21.371  12.657
  280    HA   PHE  41           HA       PHE  41   0.517 -22.645  10.114
  281   1HB   PHE  41          1HB       PHE  41  -1.594 -22.200  11.127
  282   2HB   PHE  41          2HB       PHE  41  -1.217 -20.504  11.366
  283    HD1  PHE  41           HD1      PHE  41  -2.059 -23.074   8.816
  284    HD2  PHE  41           HD2      PHE  41  -1.553 -18.883   9.623
  285    HE1  PHE  41           HE1      PHE  41  -3.092 -22.528   6.629
  286    HE2  PHE  41           HE2      PHE  41  -2.590 -18.339   7.437
  287    HZ   PHE  41           HZ       PHE  41  -3.358 -20.160   5.941
  288    H    MET  42           H        MET  42   1.323 -21.946   8.159
  289    HA   MET  42           HA       MET  42   2.369 -19.140   8.020
  290   1HB   MET  42          1HB       MET  42   3.116 -21.562   6.348
  291   2HB   MET  42          2HB       MET  42   3.988 -20.036   6.456
  292   1HG   MET  42          1HG       MET  42   4.037 -20.643   9.046
  293   2HG   MET  42          2HG       MET  42   3.856 -22.283   8.426
  294   1HE   MET  42          1HE       MET  42   5.437 -19.140   8.631
  295   2HE   MET  42          2HE       MET  42   7.050 -19.666   9.109
  296   3HE   MET  42          3HE       MET  42   6.771 -19.085   7.470
  297    H    CYS  43           H        CYS  43   2.036 -18.004   5.978
  298    HA   CYS  43           HA       CYS  43  -0.590 -18.401   4.835
  299   1HB   CYS  43          1HB       CYS  43   0.699 -16.247   5.164
  300   2HB   CYS  43          2HB       CYS  43   1.732 -16.742   3.826
  301    HA   PRO  44           HA       PRO  44   0.795 -21.289   1.725
  302   1HB   PRO  44          1HB       PRO  44  -1.554 -21.460   0.334
  303   2HB   PRO  44          2HB       PRO  44  -1.280 -22.289   1.877
  304   1HG   PRO  44          1HG       PRO  44  -2.789 -19.794   1.298
  305   2HG   PRO  44          2HG       PRO  44  -3.123 -21.066   2.480
  306   1HD   PRO  44          1HD       PRO  44  -1.987 -18.624   3.075
  307   2HD   PRO  44          2HD       PRO  44  -1.823 -20.084   4.073
  308    H    ALA  45           H        ALA  45   0.059 -18.027   1.324
  309    HA   ALA  45           HA       ALA  45   0.587 -18.119  -1.618
  310   1HB   ALA  45          2HB       ALA  45  -0.276 -15.561  -0.613
  311   2HB   ALA  45          3HB       ALA  45  -1.113 -16.639  -1.731
  312   3HB   ALA  45          1HB       ALA  45  -1.344 -16.820   0.008
  313    H    CYS  46           H        CYS  46   1.603 -16.692   1.466
  314    HA   CYS  46           HA       CYS  46   4.064 -15.749   0.066
  315   1HB   CYS  46          2HB       CYS  46   2.150 -14.038   0.613
  316   2HB   CYS  46          1HB       CYS  46   3.824 -13.590   0.901
  317    H    ARG  47           H        ARG  47   3.013 -17.881   2.257
  318    HA   ARG  47           HA       ARG  47   4.058 -19.083   3.993
  319   1HB   ARG  47          1HB       ARG  47   5.851 -18.585   2.087
  320   2HB   ARG  47          2HB       ARG  47   6.608 -17.653   3.380
  321   1HG   ARG  47          1HG       ARG  47   6.049 -19.891   4.759
  322   2HG   ARG  47          2HG       ARG  47   6.197 -20.596   3.148
  323   1HD   ARG  47          1HD       ARG  47   8.361 -18.803   3.358
  324   2HD   ARG  47          2HD       ARG  47   8.301 -19.654   4.913
  325    HE   ARG  47           HE       ARG  47   7.929 -21.382   2.563
  326   1HH1  ARG  47          1HH1      ARG  47   8.963 -22.922   4.586
  327   2HH1  ARG  47          2HH1      ARG  47  10.689 -22.817   4.477
  328   1HH2  ARG  47          1HH2      ARG  47  10.656 -19.953   2.523
  329   2HH2  ARG  47          2HH2      ARG  47  11.646 -21.136   3.310
  330    H    SER  48           H        SER  48   3.359 -15.955   4.392
  331    HA   SER  48           HA       SER  48   5.131 -15.091   6.500
  332   1HB   SER  48          1HB       SER  48   2.390 -14.366   5.492
  333   2HB   SER  48          2HB       SER  48   2.990 -13.642   6.981
  334    HG   SER  48           HG       SER  48   4.423 -12.537   5.901
  335    HA   PRO  49           HA       PRO  49   3.556 -17.333   9.939
  336   1HB   PRO  49          1HB       PRO  49   3.651 -15.474  11.948
  337   2HB   PRO  49          2HB       PRO  49   5.099 -16.241  11.269
  338   1HG   PRO  49          1HG       PRO  49   3.944 -13.547  10.731
  339   2HG   PRO  49          2HG       PRO  49   5.636 -14.037  10.879
  340   1HD   PRO  49          1HD       PRO  49   4.381 -13.595   8.490
  341   2HD   PRO  49          2HD       PRO  49   5.765 -14.690   8.688
  342    H    LYS  50           H        LYS  50   1.548 -17.762  10.925
  343    HA   LYS  50           HA       LYS  50  -0.838 -16.644   9.987
  344   1HB   LYS  50          1HB       LYS  50  -0.521 -18.769  11.253
  345   2HB   LYS  50          2HB       LYS  50  -0.237 -17.832  12.717
  346   1HG   LYS  50          1HG       LYS  50  -2.536 -16.755  12.255
  347   2HG   LYS  50          2HG       LYS  50  -2.788 -18.085  11.125
  348   1HD   LYS  50          1HD       LYS  50  -3.147 -19.564  12.799
  349   2HD   LYS  50          2HD       LYS  50  -1.734 -19.003  13.693
  350   1HE   LYS  50          1HE       LYS  50  -4.311 -17.415  13.619
  351   2HE   LYS  50          2HE       LYS  50  -3.988 -18.641  14.857
  352   1HZ   LYS  50          1HZ       LYS  50  -2.210 -16.352  14.180
  353   2HZ   LYS  50          2HZ       LYS  50  -3.204 -16.445  15.554
  354   3HZ   LYS  50          3HZ       LYS  50  -1.906 -17.524  15.367
  355    H    ASN  51           H        ASN  51   1.271 -15.424  12.520
  356    HA   ASN  51           HA       ASN  51  -0.629 -13.662  13.768
  357   1HB   ASN  51          1HB       ASN  51   2.178 -14.326  13.862
  358   2HB   ASN  51          2HB       ASN  51   1.991 -12.572  13.887
  359   2HD2  ASN  51          2HD2      ASN  51   2.693 -14.552  16.125
  360   1HD2  ASN  51          1HD2      ASN  51   1.570 -14.211  17.352
  361    H    GLN  52           H        GLN  52   0.820 -13.594  10.666
  362    HA   GLN  52           HA       GLN  52   0.760 -10.662  10.390
  363   1HB   GLN  52          1HB       GLN  52   1.963 -12.916   9.128
  364   2HB   GLN  52          2HB       GLN  52   0.975 -12.106   7.914
  365   1HG   GLN  52          1HG       GLN  52   3.069 -10.786   9.672
  366   2HG   GLN  52          2HG       GLN  52   3.248 -11.156   7.957
  367   2HE2  GLN  52          2HE2      GLN  52   0.624 -10.390   7.069
  368   1HE2  GLN  52          1HE2      GLN  52   0.469  -8.713   7.260
  369    H    PHE  53           H        PHE  53  -1.571 -13.124  10.341
  370    HA   PHE  53           HA       PHE  53  -3.174 -12.040   8.120
  371   1HB   PHE  53          1HB       PHE  53  -3.502 -14.167  10.241
  372   2HB   PHE  53          2HB       PHE  53  -4.823 -13.738   9.157
  373    HD1  PHE  53           HD1      PHE  53  -1.254 -14.841   9.189
  374    HD2  PHE  53           HD2      PHE  53  -4.919 -14.592   6.961
  375    HE1  PHE  53           HE1      PHE  53  -0.268 -16.259   7.409
  376    HE2  PHE  53           HE2      PHE  53  -3.933 -16.011   5.183
  377    HZ   PHE  53           HZ       PHE  53  -1.608 -16.843   5.405
  378    H    LYS  54           H        LYS  54  -5.037 -10.774   8.355
  379    HA   LYS  54           HA       LYS  54  -5.633  -9.759  11.117
  380   1HB   LYS  54          1HB       LYS  54  -4.395  -8.195   9.567
  381   2HB   LYS  54          2HB       LYS  54  -5.781  -8.262   8.479
  382   1HG   LYS  54          1HG       LYS  54  -7.102  -7.645  10.712
  383   2HG   LYS  54          2HG       LYS  54  -5.535  -6.973  11.165
  384   1HD   LYS  54          1HD       LYS  54  -6.630  -6.354   8.445
  385   2HD   LYS  54          2HD       LYS  54  -7.295  -5.500   9.837
  386   1HE   LYS  54          1HE       LYS  54  -4.391  -5.593   9.985
  387   2HE   LYS  54          2HE       LYS  54  -4.931  -4.846   8.468
  388   1HZ   LYS  54          1HZ       LYS  54  -6.202  -4.195  11.063
  389   2HZ   LYS  54          2HZ       LYS  54  -4.822  -3.360  10.528
  390   3HZ   LYS  54          3HZ       LYS  54  -6.254  -3.315   9.615
  391    H    SER  55           H        SER  55  -7.684 -10.407  11.675
  392    HA   SER  55           HA       SER  55  -9.571 -11.666  10.038
  393   1HB   SER  55          1HB       SER  55  -9.913 -11.752  12.359
  394   2HB   SER  55          2HB       SER  55  -9.720 -10.013  12.538
  395    HG   SER  55           HG       SER  55 -11.890 -10.534  12.684
  396    H    ILE  56           H        ILE  56 -11.857 -10.638   9.686
  397    HA   ILE  56           HA       ILE  56 -11.660  -7.845   8.652
  398    HB   ILE  56           HB       ILE  56 -12.665  -8.642   6.516
  399   1HG1  ILE  56          1HG1      ILE  56 -12.004 -11.443   6.871
  400   2HG1  ILE  56          2HG1      ILE  56 -13.217 -10.935   8.045
  401   1HG2  ILE  56          1HG2      ILE  56 -10.162  -8.477   6.887
  402   2HG2  ILE  56          2HG2      ILE  56 -10.166 -10.213   7.201
  403   3HG2  ILE  56          3HG2      ILE  56 -10.646  -9.601   5.617
  404   1HD1  ILE  56          1HD1      ILE  56 -13.516 -10.099   5.177
  405   2HD1  ILE  56          2HD1      ILE  56 -13.965 -11.738   5.646
  406   3HD1  ILE  56          3HD1      ILE  56 -14.763 -10.357   6.398
  407    H    LYS  57           H        LYS  57 -12.996  -8.225  10.927
  408    HA   LYS  57           HA       LYS  57 -15.833  -8.895  10.373
  409   1HB   LYS  57          1HB       LYS  57 -14.542  -9.668  12.405
  410   2HB   LYS  57          2HB       LYS  57 -14.458  -7.983  12.921
  411   1HG   LYS  57          1HG       LYS  57 -17.088  -8.099  12.507
  412   2HG   LYS  57          2HG       LYS  57 -16.819  -9.817  12.799
  413   1HD   LYS  57          1HD       LYS  57 -15.368  -8.771  14.833
  414   2HD   LYS  57          2HD       LYS  57 -16.602  -7.521  14.669
  415   1HE   LYS  57          1HE       LYS  57 -18.274  -9.552  14.615
  416   2HE   LYS  57          2HE       LYS  57 -16.939 -10.426  15.389
  417   1HZ   LYS  57          1HZ       LYS  57 -17.939  -7.773  16.286
  418   2HZ   LYS  57          2HZ       LYS  57 -18.426  -9.244  16.981
  419   3HZ   LYS  57          3HZ       LYS  57 -16.802  -8.753  17.074
  420    H    LYS  58           H        LYS  58 -15.473  -6.779   8.858
  421    HA   LYS  58           HA       LYS  58 -16.087  -4.336  10.474
  422   1HB   LYS  58          1HB       LYS  58 -14.398  -4.952   8.262
  423   2HB   LYS  58          2HB       LYS  58 -15.642  -3.845   7.682
  424   1HG   LYS  58          1HG       LYS  58 -14.989  -2.733  10.109
  425   2HG   LYS  58          2HG       LYS  58 -13.432  -3.365   9.573
  426   1HD   LYS  58          1HD       LYS  58 -14.714  -2.147   7.327
  427   2HD   LYS  58          2HD       LYS  58 -14.781  -1.013   8.675
  428   1HE   LYS  58          1HE       LYS  58 -12.303  -1.427   9.029
  429   2HE   LYS  58          2HE       LYS  58 -12.310  -2.333   7.505
  430   1HZ   LYS  58          1HZ       LYS  58 -13.508  -0.304   6.571
  431   2HZ   LYS  58          2HZ       LYS  58 -12.984   0.517   7.960
  432   3HZ   LYS  58          3HZ       LYS  58 -11.846  -0.135   6.879
  433    H    VAL  59           H        VAL  59 -18.262  -3.962  10.611
  434    HA   VAL  59           HA       VAL  59 -19.907  -4.296   8.132
  435    HB   VAL  59           HB       VAL  59 -21.708  -5.179   9.671
  436   1HG1  VAL  59          1HG1      VAL  59 -19.243  -6.498   8.835
  437   2HG1  VAL  59          2HG1      VAL  59 -19.973  -7.285  10.234
  438   3HG1  VAL  59          3HG1      VAL  59 -20.907  -7.079   8.753
  439   1HG2  VAL  59          1HG2      VAL  59 -19.396  -5.251  11.635
  440   2HG2  VAL  59          2HG2      VAL  59 -20.840  -4.249  11.772
  441   3HG2  VAL  59          3HG2      VAL  59 -20.969  -6.003  11.892
  442    H    ILE  60           H        ILE  60 -21.721  -2.820   8.036
  443    HA   ILE  60           HA       ILE  60 -21.577  -0.567  10.017
  444    HB   ILE  60           HB       ILE  60 -22.055  -0.580   7.018
  445   1HG1  ILE  60          2HG1      ILE  60 -19.947   0.714   6.973
  446   2HG1  ILE  60          1HG1      ILE  60 -19.701  -0.876   7.697
  447   1HG2  ILE  60          1HG2      ILE  60 -22.164   1.644   9.070
  448   2HG2  ILE  60          2HG2      ILE  60 -21.974   1.945   7.343
  449   3HG2  ILE  60          3HG2      ILE  60 -23.431   1.154   7.945
  450   1HD1  ILE  60          1HD1      ILE  60 -20.334   1.545   9.387
  451   2HD1  ILE  60          2HD1      ILE  60 -19.617   0.015   9.892
  452   3HD1  ILE  60          3HD1      ILE  60 -18.677   1.153   8.927
  453    H    ALA  61           H        ALA  61 -23.641   0.487  10.447
  454    HA   ALA  61           HA       ALA  61 -26.084  -0.858   9.410
  455   1HB   ALA  61          2HB       ALA  61 -26.836  -1.069  11.839
  456   2HB   ALA  61          1HB       ALA  61 -25.174  -0.698  12.296
  457   3HB   ALA  61          3HB       ALA  61 -25.529  -2.152  11.361
  458    H    GLY  62           H        GLY  62 -26.269   1.329   8.402
  459   1HA   GLY  62          1HA       GLY  62 -27.398   3.293  10.349
  460   2HA   GLY  62          2HA       GLY  62 -26.302   3.828   9.075
  461    H    PHE  63           H        PHE  63 -29.073   1.555   9.095
  462    HA   PHE  63           HA       PHE  63 -30.022   2.689   6.548
  463   1HB   PHE  63          1HB       PHE  63 -30.086   0.222   7.877
  464   2HB   PHE  63          2HB       PHE  63 -31.760   0.778   7.896
  465    HD1  PHE  63           HD1      PHE  63 -32.385   2.051   5.529
  466    HD2  PHE  63           HD2      PHE  63 -29.529  -1.115   6.056
  467    HE1  PHE  63           HE1      PHE  63 -32.614   1.446   3.136
  468    HE2  PHE  63           HE2      PHE  63 -29.760  -1.719   3.661
  469    HZ   PHE  63           HZ       PHE  63 -31.303  -0.439   2.201
  470    H    ALA  64           H        ALA  64 -31.031   4.673   6.816
  471    HA   ALA  64           HA       ALA  64 -33.419   4.740   8.597
  472   1HB   ALA  64          1HB       ALA  64 -30.905   6.340   8.766
  473   2HB   ALA  64          3HB       ALA  64 -31.980   5.804  10.058
  474   3HB   ALA  64          2HB       ALA  64 -32.419   7.195   9.065
  475    H    GLU  65           H        GLU  65 -34.192   7.338   8.183
  476    HA   GLU  65           HA       GLU  65 -34.236   7.679   5.204
  477   1HB   GLU  65          1HB       GLU  65 -36.667   8.170   5.471
  478   2HB   GLU  65          2HB       GLU  65 -36.261   6.533   5.988
  479   1HG   GLU  65          1HG       GLU  65 -36.442   7.077   8.270
  480   2HG   GLU  65          2HG       GLU  65 -36.264   8.805   7.968
  481    H    ASN  66           H        ASN  66 -35.861   9.946   5.153
  482    HA   ASN  66           HA       ASN  66 -34.324  11.931   6.802
  483   1HB   ASN  66          1HB       ASN  66 -34.032  11.523   4.149
  484   2HB   ASN  66          2HB       ASN  66 -35.389  12.649   4.112
  485   2HD2  ASN  66          2HD2      ASN  66 -34.507  14.683   3.679
  486   1HD2  ASN  66          1HD2      ASN  66 -33.157  15.341   4.471
  487    H    GLN  67           H        GLN  67 -35.605  13.444   7.851
  488    HA   GLN  67           HA       GLN  67 -38.539  13.165   7.605
  489   1HB   GLN  67          1HB       GLN  67 -38.487  14.619   9.619
  490   2HB   GLN  67          2HB       GLN  67 -37.414  13.231   9.799
  491   1HG   GLN  67          1HG       GLN  67 -35.514  14.517   9.717
  492   2HG   GLN  67          2HG       GLN  67 -36.225  15.681   8.599
  493   2HE2  GLN  67          1HE2      GLN  67 -35.802  14.883  12.001
  494   1HE2  GLN  67          2HE2      GLN  67 -36.503  16.303  12.615
  495    H    LYS  68           H        LYS  68 -39.893  15.119   7.313
  496    HA   LYS  68           HA       LYS  68 -40.484  17.038   6.061
  497   1HB   LYS  68          1HB       LYS  68 -37.868  17.543   7.410
  498   2HB   LYS  68          2HB       LYS  68 -38.401  18.729   6.218
  499   1HG   LYS  68          1HG       LYS  68 -40.698  18.534   7.512
  500   2HG   LYS  68          2HG       LYS  68 -39.672  17.952   8.823
  501   1HD   LYS  68          1HD       LYS  68 -38.215  20.062   8.247
  502   2HD   LYS  68          2HD       LYS  68 -39.698  20.648   7.492
  503   1HE   LYS  68          1HE       LYS  68 -39.646  19.587  10.333
  504   2HE   LYS  68          2HE       LYS  68 -39.399  21.300   9.948
  505   1HZ   LYS  68          1HZ       LYS  68 -41.472  21.127   8.570
  506   2HZ   LYS  68          2HZ       LYS  68 -41.745  19.607   9.275
  507   3HZ   LYS  68          3HZ       LYS  68 -41.723  20.998  10.245
  508    H    TYR  69           H        TYR  69 -39.167  18.650   4.317
  509    HA   TYR  69           HA       TYR  69 -37.667  16.860   2.448
  510   1HB   TYR  69          1HB       TYR  69 -40.346  17.442   2.228
  511   2HB   TYR  69          2HB       TYR  69 -39.623  18.704   1.232
  512    HD1  TYR  69           HD1      TYR  69 -38.265  18.133  -0.743
  513    HD2  TYR  69           HD2      TYR  69 -40.177  15.095   1.615
  514    HE1  TYR  69           HE1      TYR  69 -37.893  16.488  -2.562
  515    HE2  TYR  69           HE2      TYR  69 -39.805  13.450  -0.202
  516    HH   TYR  69           HH       TYR  69 -38.629  13.068  -2.126
  517    H    GLY  70           H        GLY  70 -36.155  17.984   1.146
  518   1HA   GLY  70          1HA       GLY  70 -35.159  19.974   0.203
  519   2HA   GLY  70          2HA       GLY  70 -36.069  20.944   1.361

  No H/Q in entry =         519
  Start of MODEL   10
    1    H1   MET   1          1H        MET   1 -15.806  -8.403   0.169
    2    H2   MET   1          2H        MET   1 -14.436  -7.420  -0.041
    3    H3   MET   1          3H        MET   1 -14.489  -8.550   1.226
    4    HA   MET   1           HA       MET   1 -14.912  -6.468   2.235
    5   1HB   MET   1          1HB       MET   1 -16.595  -4.961   1.190
    6   2HB   MET   1          2HB       MET   1 -15.279  -5.341   0.078
    7   1HG   MET   1          1HG       MET   1 -16.607  -6.827  -1.177
    8   2HG   MET   1          2HG       MET   1 -17.786  -7.014   0.122
    9   1HE   MET   1          1HE       MET   1 -19.786  -6.691  -1.188
   10   2HE   MET   1          2HE       MET   1 -19.921  -5.749   0.293
   11   3HE   MET   1          3HE       MET   1 -20.511  -5.079  -1.225
   12    H    GLU   2           H        GLU   2 -17.163  -5.743   3.285
   13    HA   GLU   2           HA       GLU   2 -18.948  -6.459   4.665
   14   1HB   GLU   2          1HB       GLU   2 -19.841  -6.560   2.301
   15   2HB   GLU   2          2HB       GLU   2 -19.431  -8.276   2.283
   16   1HG   GLU   2          2HG       GLU   2 -20.853  -7.823   4.689
   17   2HG   GLU   2          1HG       GLU   2 -21.408  -8.710   3.270
   18    H    ILE   3           H        ILE   3 -17.136  -7.533   5.999
   19    HA   ILE   3           HA       ILE   3 -17.476 -10.518   5.967
   20    HB   ILE   3           HB       ILE   3 -15.071  -8.862   6.803
   21   1HG1  ILE   3          1HG1      ILE   3 -15.585 -10.431   4.255
   22   2HG1  ILE   3          2HG1      ILE   3 -15.507  -8.674   4.380
   23   1HG2  ILE   3          1HG2      ILE   3 -15.598 -11.823   6.504
   24   2HG2  ILE   3          2HG2      ILE   3 -13.966 -11.155   6.523
   25   3HG2  ILE   3          3HG2      ILE   3 -15.013 -10.961   7.928
   26   1HD1  ILE   3          1HD1      ILE   3 -13.248 -10.589   5.042
   27   2HD1  ILE   3          2HD1      ILE   3 -13.359  -9.600   3.586
   28   3HD1  ILE   3          3HD1      ILE   3 -13.171  -8.832   5.162
   29    H    ASP   4           H        ASP   4 -16.925 -11.437   8.251
   30    HA   ASP   4           HA       ASP   4 -17.123  -9.807  10.605
   31   1HB   ASP   4          1HB       ASP   4 -19.482 -10.001   9.100
   32   2HB   ASP   4          2HB       ASP   4 -19.724 -11.085  10.468
   33    H    GLU   5           H        GLU   5 -17.508 -12.947   9.079
   34    HA   GLU   5           HA       GLU   5 -17.813 -14.423  11.574
   35   1HB   GLU   5          1HB       GLU   5 -17.051 -15.284   8.764
   36   2HB   GLU   5          2HB       GLU   5 -17.640 -16.344  10.044
   37   1HG   GLU   5          1HG       GLU   5 -19.485 -14.191   9.834
   38   2HG   GLU   5          2HG       GLU   5 -19.166 -14.759   8.196
   39    H    GLY   6           H        GLY   6 -15.776 -16.476  10.517
   40   1HA   GLY   6          1HA       GLY   6 -13.481 -15.314  11.965
   41   2HA   GLY   6          2HA       GLY   6 -13.666 -17.006  11.518
   42    H    LYS   7           H        LYS   7 -14.149 -14.352   9.232
   43    HA   LYS   7           HA       LYS   7 -12.127 -15.520   7.449
   44   1HB   LYS   7          1HB       LYS   7 -14.445 -13.977   7.232
   45   2HB   LYS   7          2HB       LYS   7 -13.152 -12.862   6.799
   46   1HG   LYS   7          1HG       LYS   7 -12.320 -14.396   5.110
   47   2HG   LYS   7          2HG       LYS   7 -13.476 -15.630   5.609
   48   1HD   LYS   7          1HD       LYS   7 -15.342 -14.163   4.950
   49   2HD   LYS   7          2HD       LYS   7 -14.195 -12.909   4.476
   50   1HE   LYS   7          1HE       LYS   7 -14.602 -13.966   2.418
   51   2HE   LYS   7          2HE       LYS   7 -13.181 -14.864   2.982
   52   1HZ   LYS   7          1HZ       LYS   7 -16.015 -15.619   3.493
   53   2HZ   LYS   7          2HZ       LYS   7 -15.002 -16.359   2.347
   54   3HZ   LYS   7          3HZ       LYS   7 -14.647 -16.488   4.000
   55    H    TYR   8           H        TYR   8  -9.970 -14.946   7.531
   56    HA   TYR   8           HA       TYR   8  -9.273 -12.391   8.953
   57   1HB   TYR   8          1HB       TYR   8  -8.075 -15.128   8.733
   58   2HB   TYR   8          2HB       TYR   8  -6.986 -13.765   8.993
   59    HD1  TYR   8           HD1      TYR   8 -10.205 -15.183  10.271
   60    HD2  TYR   8           HD2      TYR   8  -6.618 -13.005  11.183
   61    HE1  TYR   8           HE1      TYR   8 -10.843 -15.160  12.664
   62    HE2  TYR   8           HE2      TYR   8  -7.259 -12.969  13.583
   63    HH   TYR   8           HH       TYR   8  -9.026 -13.283  15.021
   64    H    GLU   9           H        GLU   9  -7.538 -11.114   8.040
   65    HA   GLU   9           HA       GLU   9  -7.043 -11.616   5.119
   66   1HB   GLU   9          1HB       GLU   9  -8.603  -9.711   5.881
   67   2HB   GLU   9          2HB       GLU   9  -7.154  -8.934   6.518
   68   1HG   GLU   9          1HG       GLU   9  -6.209  -9.458   4.097
   69   2HG   GLU   9          2HG       GLU   9  -7.921  -9.483   3.673
   70    H    CYS  10           H        CYS  10  -4.876 -11.743   4.592
   71    HA   CYS  10           HA       CYS  10  -2.832 -11.550   6.642
   72   1HB   CYS  10          1HB       CYS  10  -3.032 -12.959   4.432
   73   2HB   CYS  10          2HB       CYS  10  -2.337 -11.533   3.685
   74    H    GLU  11           H        GLU  11  -2.140  -9.569   7.379
   75    HA   GLU  11           HA       GLU  11  -2.426  -7.116   5.855
   76   1HB   GLU  11          1HB       GLU  11  -1.639  -8.042   8.475
   77   2HB   GLU  11          2HB       GLU  11  -0.466  -6.864   7.888
   78   1HG   GLU  11          1HG       GLU  11  -3.446  -6.377   7.732
   79   2HG   GLU  11          2HG       GLU  11  -2.501  -5.928   9.152
   80    H    ALA  12           H        ALA  12  -0.167  -9.696   5.778
   81    HA   ALA  12           HA       ALA  12   2.143  -8.105   4.926
   82   1HB   ALA  12          1HB       ALA  12   1.441 -10.893   5.612
   83   2HB   ALA  12          2HB       ALA  12   2.716 -10.725   4.405
   84   3HB   ALA  12          3HB       ALA  12   2.898  -9.973   5.991
   85    H    CYS  13           H        CYS  13  -0.219 -10.317   3.318
   86    HA   CYS  13           HA       CYS  13   0.893  -9.292   0.729
   87   1HB   CYS  13          2HB       CYS  13   1.386 -11.699   1.461
   88   2HB   CYS  13          1HB       CYS  13   0.730 -11.487  -0.158
   89    H    GLY  14           H        GLY  14  -2.037 -10.086   2.529
   90   1HA   GLY  14          1HA       GLY  14  -4.056  -8.750   2.052
   91   2HA   GLY  14          2HA       GLY  14  -3.581  -8.737   0.354
   92    H    TYR  15           H        TYR  15  -3.216 -11.721   2.051
   93    HA   TYR  15           HA       TYR  15  -5.215 -13.000   0.327
   94   1HB   TYR  15          1HB       TYR  15  -3.121 -14.116   0.708
   95   2HB   TYR  15          2HB       TYR  15  -3.249 -13.902   2.452
   96    HD1  TYR  15           HD1      TYR  15  -4.760 -15.282   3.789
   97    HD2  TYR  15           HD2      TYR  15  -4.429 -15.828  -0.458
   98    HE1  TYR  15           HE1      TYR  15  -5.937 -17.456   3.978
   99    HE2  TYR  15           HE2      TYR  15  -5.606 -18.003  -0.270
  100    HH   TYR  15           HH       TYR  15  -6.923 -19.124   2.831
  101    H    ILE  16           H        ILE  16  -6.969 -14.336   1.253
  102    HA   ILE  16           HA       ILE  16  -7.923 -13.312   3.905
  103    HB   ILE  16           HB       ILE  16  -9.367 -13.936   1.314
  104   1HG1  ILE  16          2HG1      ILE  16  -8.941 -11.465   3.006
  105   2HG1  ILE  16          1HG1      ILE  16 -10.201 -11.551   1.774
  106   1HG2  ILE  16          1HG2      ILE  16 -10.435 -13.572   4.114
  107   2HG2  ILE  16          2HG2      ILE  16 -11.413 -13.157   2.706
  108   3HG2  ILE  16          3HG2      ILE  16 -10.853 -14.813   2.932
  109   1HD1  ILE  16          1HD1      ILE  16  -7.937 -12.520   0.473
  110   2HD1  ILE  16          2HD1      ILE  16  -8.617 -10.903   0.298
  111   3HD1  ILE  16          3HD1      ILE  16  -7.319 -11.194   1.457
  112    H    TYR  17           H        TYR  17  -7.960 -14.951   5.392
  113    HA   TYR  17           HA       TYR  17  -7.843 -17.761   4.535
  114   1HB   TYR  17          1HB       TYR  17  -6.471 -17.046   6.380
  115   2HB   TYR  17          2HB       TYR  17  -7.848 -16.297   7.190
  116    HD1  TYR  17           HD1      TYR  17  -6.638 -19.616   5.931
  117    HD2  TYR  17           HD2      TYR  17  -9.075 -17.514   8.776
  118    HE1  TYR  17           HE1      TYR  17  -7.130 -21.753   7.090
  119    HE2  TYR  17           HE2      TYR  17  -9.567 -19.650   9.934
  120    HH   TYR  17           HH       TYR  17  -9.376 -21.883   9.845
  121    H    GLU  18           H        GLU  18  -9.531 -19.211   4.628
  122    HA   GLU  18           HA       GLU  18 -12.191 -18.177   5.552
  123   1HB   GLU  18          1HB       GLU  18 -11.186 -19.693   3.217
  124   2HB   GLU  18          2HB       GLU  18 -12.697 -20.296   3.897
  125   1HG   GLU  18          1HG       GLU  18 -12.994 -17.511   3.874
  126   2HG   GLU  18          2HG       GLU  18 -12.216 -17.888   2.337
  127    HA   PRO  19           HA       PRO  19 -11.415 -21.514   8.511
  128   1HB   PRO  19          1HB       PRO  19 -13.448 -20.835  10.215
  129   2HB   PRO  19          2HB       PRO  19 -11.863 -20.057  10.227
  130   1HG   PRO  19          1HG       PRO  19 -14.429 -19.088   9.106
  131   2HG   PRO  19          2HG       PRO  19 -13.123 -18.189   9.878
  132   1HD   PRO  19          1HD       PRO  19 -13.541 -18.300   7.160
  133   2HD   PRO  19          2HD       PRO  19 -11.984 -17.923   7.925
  134    H    GLU  20           H        GLU  20 -14.832 -20.629   8.158
  135    HA   GLU  20           HA       GLU  20 -16.057 -23.094   8.418
  136   1HB   GLU  20          1HB       GLU  20 -16.770 -20.558   7.707
  137   2HB   GLU  20          2HB       GLU  20 -17.055 -21.418   6.194
  138   1HG   GLU  20          1HG       GLU  20 -18.671 -22.815   7.139
  139   2HG   GLU  20          2HG       GLU  20 -18.049 -22.594   8.775
  140    H    LYS  21           H        LYS  21 -14.145 -22.008   5.671
  141    HA   LYS  21           HA       LYS  21 -15.024 -24.343   4.053
  142   1HB   LYS  21          1HB       LYS  21 -14.572 -21.749   3.429
  143   2HB   LYS  21          2HB       LYS  21 -12.975 -22.419   3.093
  144   1HG   LYS  21          1HG       LYS  21 -14.522 -24.304   1.914
  145   2HG   LYS  21          2HG       LYS  21 -15.560 -22.894   1.707
  146   1HD   LYS  21          1HD       LYS  21 -14.279 -22.348  -0.070
  147   2HD   LYS  21          2HD       LYS  21 -12.994 -21.970   1.077
  148   1HE   LYS  21          2HE       LYS  21 -12.877 -24.749   0.871
  149   2HE   LYS  21          1HE       LYS  21 -11.812 -23.614   0.021
  150   1HZ   LYS  21          1HZ       LYS  21 -13.643 -23.417  -1.668
  151   2HZ   LYS  21          2HZ       LYS  21 -12.865 -24.923  -1.638
  152   3HZ   LYS  21          3HZ       LYS  21 -14.394 -24.744  -0.921
  153    H    GLY  22           H        GLY  22 -12.067 -22.931   5.444
  154   1HA   GLY  22          1HA       GLY  22 -10.296 -24.300   6.378
  155   2HA   GLY  22          2HA       GLY  22 -10.851 -25.642   5.378
  156    H    ASP  23           H        ASP  23  -8.153 -24.328   5.616
  157    HA   ASP  23           HA       ASP  23  -7.715 -23.039   3.010
  158   1HB   ASP  23          1HB       ASP  23  -6.589 -22.572   5.301
  159   2HB   ASP  23          2HB       ASP  23  -5.638 -24.020   4.972
  160    H    LYS  24           H        LYS  24  -8.717 -25.279   2.190
  161    HA   LYS  24           HA       LYS  24  -7.472 -27.739   2.126
  162   1HB   LYS  24          1HB       LYS  24  -9.294 -26.217   0.554
  163   2HB   LYS  24          2HB       LYS  24  -8.176 -27.008  -0.557
  164   1HG   LYS  24          1HG       LYS  24  -9.661 -28.421   1.679
  165   2HG   LYS  24          2HG       LYS  24 -10.164 -28.424  -0.012
  166   1HD   LYS  24          1HD       LYS  24  -7.896 -29.372  -0.593
  167   2HD   LYS  24          2HD       LYS  24  -7.594 -29.546   1.135
  168   1HE   LYS  24          1HE       LYS  24 -10.072 -30.720  -0.143
  169   2HE   LYS  24          2HE       LYS  24  -8.543 -31.618  -0.082
  170   1HZ   LYS  24          1HZ       LYS  24  -8.503 -30.930   2.357
  171   2HZ   LYS  24          2HZ       LYS  24 -10.148 -30.551   2.169
  172   3HZ   LYS  24          3HZ       LYS  24  -9.612 -32.141   1.924
  173    H    PHE  25           H        PHE  25  -6.276 -24.787   0.621
  174    HA   PHE  25           HA       PHE  25  -4.317 -26.057  -1.099
  175   1HB   PHE  25          1HB       PHE  25  -5.154 -23.377  -0.216
  176   2HB   PHE  25          2HB       PHE  25  -3.426 -23.496  -0.546
  177    HD1  PHE  25           HD1      PHE  25  -3.105 -25.285  -2.724
  178    HD2  PHE  25           HD2      PHE  25  -6.302 -22.498  -2.041
  179    HE1  PHE  25           HE1      PHE  25  -3.567 -25.218  -5.160
  180    HE2  PHE  25           HE2      PHE  25  -6.764 -22.432  -4.477
  181    HZ   PHE  25           HZ       PHE  25  -5.396 -23.791  -6.037
  182    H    ALA  26           H        ALA  26  -4.372 -25.023   2.264
  183    HA   ALA  26           HA       ALA  26  -1.455 -25.521   2.567
  184   1HB   ALA  26          3HB       ALA  26  -2.032 -23.593   3.718
  185   2HB   ALA  26          1HB       ALA  26  -3.661 -24.171   4.067
  186   3HB   ALA  26          2HB       ALA  26  -2.292 -24.775   5.000
  187    H    GLY  27           H        GLY  27  -4.585 -26.901   3.358
  188   1HA   GLY  27          1HA       GLY  27  -4.566 -29.394   3.673
  189   2HA   GLY  27          2HA       GLY  27  -3.170 -29.155   4.724
  190    H    ILE  28           H        ILE  28  -5.843 -26.894   4.830
  191    HA   ILE  28           HA       ILE  28  -6.558 -27.988   7.527
  192    HB   ILE  28           HB       ILE  28  -6.595 -25.196   6.345
  193   1HG1  ILE  28          1HG1      ILE  28  -5.130 -25.740   8.833
  194   2HG1  ILE  28          2HG1      ILE  28  -4.516 -26.638   7.444
  195   1HG2  ILE  28          1HG2      ILE  28  -8.510 -25.689   7.927
  196   2HG2  ILE  28          2HG2      ILE  28  -7.306 -26.029   9.170
  197   3HG2  ILE  28          3HG2      ILE  28  -7.421 -24.413   8.473
  198   1HD1  ILE  28          1HD1      ILE  28  -5.152 -23.741   7.068
  199   2HD1  ILE  28          2HD1      ILE  28  -3.688 -24.155   7.961
  200   3HD1  ILE  28          3HD1      ILE  28  -3.902 -24.722   6.305
  201    HA   PRO  29           HA       PRO  29 -10.455 -28.750   5.404
  202   1HB   PRO  29          1HB       PRO  29 -11.740 -29.874   7.548
  203   2HB   PRO  29          2HB       PRO  29 -10.579 -30.761   6.543
  204   1HG   PRO  29          2HG       PRO  29  -9.580 -31.010   8.608
  205   2HG   PRO  29          1HG       PRO  29 -10.194 -29.460   9.199
  206   1HD   PRO  29          1HD       PRO  29  -8.060 -28.760   8.728
  207   2HD   PRO  29          2HD       PRO  29  -7.808 -30.034   7.516
  208    HA   PRO  30           HA       PRO  30 -13.044 -25.452   6.758
  209   1HB   PRO  30          1HB       PRO  30 -15.573 -26.489   6.718
  210   2HB   PRO  30          2HB       PRO  30 -14.661 -26.113   5.243
  211   1HG   PRO  30          2HG       PRO  30 -15.096 -28.350   4.880
  212   2HG   PRO  30          1HG       PRO  30 -15.077 -28.729   6.609
  213   1HD   PRO  30          1HD       PRO  30 -12.971 -29.499   6.121
  214   2HD   PRO  30          2HD       PRO  30 -12.802 -28.434   4.710
  215    H    GLY  31           H        GLY  31 -15.337 -25.393   8.299
  216   1HA   GLY  31          1HA       GLY  31 -15.947 -25.277  10.568
  217   2HA   GLY  31          2HA       GLY  31 -15.519 -26.986  10.592
  218    H    THR  32           H        THR  32 -13.081 -24.615   9.797
  219    HA   THR  32           HA       THR  32 -11.889 -24.993  12.525
  220    HB   THR  32           HB       THR  32 -10.542 -24.910   9.807
  221    HG1  THR  32           HG1      THR  32 -11.615 -26.848  10.182
  222   1HG2  THR  32          1HG2      THR  32  -9.429 -25.368  12.590
  223   2HG2  THR  32          2HG2      THR  32  -8.515 -25.540  11.091
  224   3HG2  THR  32          3HG2      THR  32  -9.130 -23.959  11.572
  225    HA   PRO  33           HA       PRO  33 -12.124 -20.499  12.112
  226   1HB   PRO  33          1HB       PRO  33 -11.490 -19.950  14.718
  227   2HB   PRO  33          2HB       PRO  33 -13.117 -20.427  14.199
  228   1HG   PRO  33          2HG       PRO  33 -12.720 -22.083  15.749
  229   2HG   PRO  33          1HG       PRO  33 -10.973 -22.060  15.472
  230   1HD   PRO  33          1HD       PRO  33 -11.408 -23.931  14.227
  231   2HD   PRO  33          2HD       PRO  33 -13.107 -23.480  13.973
  232    H    PHE  34           H        PHE  34 -10.489 -18.888  11.964
  233    HA   PHE  34           HA       PHE  34  -7.849 -19.628  11.352
  234   1HB   PHE  34          1HB       PHE  34  -8.716 -17.524  10.661
  235   2HB   PHE  34          2HB       PHE  34  -9.187 -17.085  12.296
  236    HD1  PHE  34           HD1      PHE  34  -6.352 -17.424   9.950
  237    HD2  PHE  34           HD2      PHE  34  -7.580 -16.200  13.879
  238    HE1  PHE  34           HE1      PHE  34  -4.177 -16.277  10.272
  239    HE2  PHE  34           HE2      PHE  34  -5.406 -15.052  14.202
  240    HZ   PHE  34           HZ       PHE  34  -3.704 -15.091  12.400
  241    H    VAL  35           H        VAL  35  -9.303 -18.938  14.481
  242    HA   VAL  35           HA       VAL  35  -6.850 -18.597  15.962
  243    HB   VAL  35           HB       VAL  35  -8.379 -18.877  17.878
  244   1HG1  VAL  35          1HG1      VAL  35  -8.374 -16.814  16.290
  245   2HG1  VAL  35          2HG1      VAL  35  -9.932 -17.431  15.739
  246   3HG1  VAL  35          3HG1      VAL  35  -9.709 -16.985  17.430
  247   1HG2  VAL  35          1HG2      VAL  35  -9.833 -20.446  15.921
  248   2HG2  VAL  35          2HG2      VAL  35 -10.048 -20.377  17.669
  249   3HG2  VAL  35          3HG2      VAL  35 -10.878 -19.217  16.632
  250    H    ASP  36           H        ASP  36  -8.404 -21.381  14.629
  251    HA   ASP  36           HA       ASP  36  -7.067 -23.227  16.542
  252   1HB   ASP  36          1HB       ASP  36  -9.478 -23.446  15.853
  253   2HB   ASP  36          2HB       ASP  36  -8.928 -23.769  14.209
  254    H    LEU  37           H        LEU  37  -6.377 -21.725  13.574
  255    HA   LEU  37           HA       LEU  37  -5.236 -23.693  11.941
  256   1HB   LEU  37          1HB       LEU  37  -4.546 -20.833  12.603
  257   2HB   LEU  37          2HB       LEU  37  -3.611 -21.727  11.402
  258    HG   LEU  37           HG       LEU  37  -6.619 -21.304  11.350
  259   1HD1  LEU  37          1HD1      LEU  37  -4.619 -19.520  10.661
  260   2HD1  LEU  37          2HD1      LEU  37  -4.979 -20.312   9.127
  261   3HD1  LEU  37          3HD1      LEU  37  -6.263 -19.500  10.023
  262   1HD2  LEU  37          1HD2      LEU  37  -4.712 -22.946   9.726
  263   2HD2  LEU  37          2HD2      LEU  37  -6.362 -23.316  10.225
  264   3HD2  LEU  37          3HD2      LEU  37  -6.074 -22.184   8.904
  265    H    SER  38           H        SER  38  -2.920 -24.292  11.696
  266    HA   SER  38           HA       SER  38  -1.749 -25.498  13.931
  267   1HB   SER  38          2HB       SER  38   0.232 -25.637  12.509
  268   2HB   SER  38          1HB       SER  38  -0.338 -24.281  11.536
  269    HG   SER  38           HG       SER  38  -1.107 -26.924  11.523
  270    H    ASP  39           H        ASP  39   0.072 -24.876  15.280
  271    HA   ASP  39           HA       ASP  39  -0.021 -22.234  16.347
  272   1HB   ASP  39          1HB       ASP  39   1.015 -24.659  17.044
  273   2HB   ASP  39          2HB       ASP  39   2.488 -23.795  16.601
  274    H    SER  40           H        SER  40   1.754 -23.587  13.656
  275    HA   SER  40           HA       SER  40   3.141 -20.949  13.298
  276   1HB   SER  40          1HB       SER  40   4.446 -23.092  14.055
  277   2HB   SER  40          2HB       SER  40   4.251 -23.593  12.375
  278    HG   SER  40           HG       SER  40   5.694 -22.194  11.809
  279    H    PHE  41           H        PHE  41   0.576 -21.725  12.163
  280    HA   PHE  41           HA       PHE  41   0.656 -22.816   9.564
  281   1HB   PHE  41          1HB       PHE  41  -1.423 -22.382  10.652
  282   2HB   PHE  41          2HB       PHE  41  -1.028 -20.697  10.924
  283    HD1  PHE  41           HD1      PHE  41  -1.928 -23.201   8.335
  284    HD2  PHE  41           HD2      PHE  41  -1.407 -19.034   9.238
  285    HE1  PHE  41           HE1      PHE  41  -3.018 -22.599   6.190
  286    HE2  PHE  41           HE2      PHE  41  -2.497 -18.432   7.093
  287    HZ   PHE  41           HZ       PHE  41  -3.303 -20.215   5.569
  288    H    MET  42           H        MET  42   1.293 -22.011   7.573
  289    HA   MET  42           HA       MET  42   2.454 -19.244   7.529
  290   1HB   MET  42          1HB       MET  42   3.076 -21.648   5.782
  291   2HB   MET  42          2HB       MET  42   3.966 -20.130   5.832
  292   1HG   MET  42          1HG       MET  42   3.729 -21.235   8.498
  293   2HG   MET  42          2HG       MET  42   4.437 -22.425   7.406
  294   1HE   MET  42          1HE       MET  42   6.034 -21.697   9.667
  295   2HE   MET  42          2HE       MET  42   6.856 -22.517   8.342
  296   3HE   MET  42          3HE       MET  42   7.595 -21.102   9.104
  297    H    CYS  43           H        CYS  43   1.621 -17.830   6.021
  298    HA   CYS  43           HA       CYS  43  -0.862 -18.198   4.763
  299   1HB   CYS  43          1HB       CYS  43   0.469 -16.091   5.207
  300   2HB   CYS  43          2HB       CYS  43   1.435 -16.488   3.788
  301    HA   PRO  44           HA       PRO  44   0.350 -20.851   1.386
  302   1HB   PRO  44          1HB       PRO  44  -2.033 -20.837   0.049
  303   2HB   PRO  44          2HB       PRO  44  -1.757 -21.791   1.518
  304   1HG   PRO  44          2HG       PRO  44  -3.548 -20.553   2.243
  305   2HG   PRO  44          1HG       PRO  44  -3.171 -19.197   1.173
  306   1HD   PRO  44          1HD       PRO  44  -2.310 -18.234   3.048
  307   2HD   PRO  44          2HD       PRO  44  -2.162 -19.791   3.887
  308    H    ALA  45           H        ALA  45  -0.340 -17.540   1.255
  309    HA   ALA  45           HA       ALA  45   0.140 -17.422  -1.695
  310   1HB   ALA  45          2HB       ALA  45  -0.656 -14.934  -0.463
  311   2HB   ALA  45          3HB       ALA  45  -1.511 -15.884  -1.677
  312   3HB   ALA  45          1HB       ALA  45  -1.747 -16.225   0.036
  313    H    CYS  46           H        CYS  46   1.197 -16.148   1.450
  314    HA   CYS  46           HA       CYS  46   3.656 -15.160   0.067
  315   1HB   CYS  46          2HB       CYS  46   1.793 -13.486   0.843
  316   2HB   CYS  46          1HB       CYS  46   3.481 -13.094   1.139
  317    H    ARG  47           H        ARG  47   2.617 -17.468   2.094
  318    HA   ARG  47           HA       ARG  47   3.652 -18.819   3.721
  319   1HB   ARG  47          1HB       ARG  47   5.283 -18.590   1.745
  320   2HB   ARG  47          2HB       ARG  47   6.179 -17.468   2.771
  321   1HG   ARG  47          1HG       ARG  47   5.797 -19.522   4.511
  322   2HG   ARG  47          2HG       ARG  47   5.884 -20.409   2.989
  323   1HD   ARG  47          1HD       ARG  47   7.973 -18.685   2.664
  324   2HD   ARG  47          2HD       ARG  47   8.010 -18.918   4.422
  325    HE   ARG  47           HE       ARG  47   8.131 -21.360   4.008
  326   1HH1  ARG  47          1HH1      ARG  47   7.432 -22.463   1.734
  327   2HH1  ARG  47          2HH1      ARG  47   8.686 -22.236   0.560
  328   1HH2  ARG  47          1HH2      ARG  47  10.229 -19.673   2.313
  329   2HH2  ARG  47          2HH2      ARG  47  10.269 -20.657   0.888
  330    H    SER  48           H        SER  48   3.098 -15.784   4.434
  331    HA   SER  48           HA       SER  48   5.160 -15.138   6.389
  332   1HB   SER  48          1HB       SER  48   2.392 -14.158   5.702
  333   2HB   SER  48          2HB       SER  48   3.233 -13.537   7.119
  334    HG   SER  48           HG       SER  48   3.740 -12.228   5.400
  335    HA   PRO  49           HA       PRO  49   3.698 -17.442   9.833
  336   1HB   PRO  49          1HB       PRO  49   3.894 -15.666  11.911
  337   2HB   PRO  49          2HB       PRO  49   5.305 -16.429  11.151
  338   1HG   PRO  49          2HG       PRO  49   5.854 -14.209  10.841
  339   2HG   PRO  49          1HG       PRO  49   4.162 -13.703  10.735
  340   1HD   PRO  49          1HD       PRO  49   4.603 -13.684   8.484
  341   2HD   PRO  49          2HD       PRO  49   5.932 -14.852   8.635
  342    H    LYS  50           H        LYS  50   1.659 -17.945  10.624
  343    HA   LYS  50           HA       LYS  50  -0.688 -16.634   9.884
  344   1HB   LYS  50          1HB       LYS  50  -0.373 -18.929  10.885
  345   2HB   LYS  50          2HB       LYS  50  -0.199 -18.157  12.461
  346   1HG   LYS  50          1HG       LYS  50  -2.475 -17.025  11.904
  347   2HG   LYS  50          2HG       LYS  50  -2.630 -18.294  10.689
  348   1HD   LYS  50          1HD       LYS  50  -2.857 -19.955  12.257
  349   2HD   LYS  50          2HD       LYS  50  -1.795 -19.153  13.413
  350   1HE   LYS  50          1HE       LYS  50  -4.516 -18.011  12.751
  351   2HE   LYS  50          2HE       LYS  50  -4.307 -19.238  14.016
  352   1HZ   LYS  50          1HZ       LYS  50  -2.741 -16.715  13.813
  353   2HZ   LYS  50          2HZ       LYS  50  -4.054 -16.948  14.868
  354   3HZ   LYS  50          3HZ       LYS  50  -2.640 -17.866  15.058
  355    H    ASN  51           H        ASN  51   1.463 -15.819  12.536
  356    HA   ASN  51           HA       ASN  51  -0.348 -14.209  14.068
  357   1HB   ASN  51          1HB       ASN  51   2.157 -15.106  14.381
  358   2HB   ASN  51          2HB       ASN  51   2.544 -13.494  13.780
  359   2HD2  ASN  51          2HD2      ASN  51   3.155 -14.231  16.471
  360   1HD2  ASN  51          1HD2      ASN  51   2.160 -13.338  17.517
  361    H    GLN  52           H        GLN  52   1.037 -13.738  10.953
  362    HA   GLN  52           HA       GLN  52   0.918 -10.799  11.022
  363   1HB   GLN  52          1HB       GLN  52   2.162 -12.847   9.518
  364   2HB   GLN  52          2HB       GLN  52   1.082 -12.014   8.399
  365   1HG   GLN  52          1HG       GLN  52   3.122 -10.656  10.190
  366   2HG   GLN  52          2HG       GLN  52   3.332 -10.963   8.466
  367   2HE2  GLN  52          2HE2      GLN  52   0.870 -10.272   7.391
  368   1HE2  GLN  52          1HE2      GLN  52   0.518  -8.644   7.712
  369    H    PHE  53           H        PHE  53  -1.399 -13.243  10.782
  370    HA   PHE  53           HA       PHE  53  -3.067 -12.010   8.699
  371   1HB   PHE  53          1HB       PHE  53  -3.316 -14.270  10.684
  372   2HB   PHE  53          2HB       PHE  53  -4.695 -13.762   9.715
  373    HD1  PHE  53           HD1      PHE  53  -1.030 -14.415   9.187
  374    HD2  PHE  53           HD2      PHE  53  -5.043 -14.929   7.746
  375    HE1  PHE  53           HE1      PHE  53  -0.172 -15.717   7.258
  376    HE2  PHE  53           HE2      PHE  53  -4.187 -16.230   5.819
  377    HZ   PHE  53           HZ       PHE  53  -1.751 -16.624   5.573
  378    H    LYS  54           H        LYS  54  -4.640 -10.481   9.058
  379    HA   LYS  54           HA       LYS  54  -5.304  -9.818  11.908
  380   1HB   LYS  54          1HB       LYS  54  -4.499  -8.261   9.546
  381   2HB   LYS  54          2HB       LYS  54  -5.930  -7.613  10.347
  382   1HG   LYS  54          1HG       LYS  54  -4.023  -8.392  12.349
  383   2HG   LYS  54          2HG       LYS  54  -3.215  -7.366  11.164
  384   1HD   LYS  54          1HD       LYS  54  -5.211  -5.782  11.386
  385   2HD   LYS  54          2HD       LYS  54  -5.683  -6.732  12.795
  386   1HE   LYS  54          1HE       LYS  54  -3.951  -5.922  14.077
  387   2HE   LYS  54          2HE       LYS  54  -2.839  -5.837  12.697
  388   1HZ   LYS  54          1HZ       LYS  54  -4.249  -4.004  11.826
  389   2HZ   LYS  54          2HZ       LYS  54  -5.122  -4.019  13.279
  390   3HZ   LYS  54          3HZ       LYS  54  -3.472  -3.615  13.286
  391    H    SER  55           H        SER  55  -7.379 -10.386  12.394
  392    HA   SER  55           HA       SER  55  -9.303 -11.417  10.637
  393   1HB   SER  55          1HB       SER  55  -9.655 -11.738  12.928
  394   2HB   SER  55          2HB       SER  55  -9.356 -10.047  13.306
  395    HG   SER  55           HG       SER  55 -11.670 -11.300  12.574
  396    H    ILE  56           H        ILE  56 -11.589 -10.215  10.517
  397    HA   ILE  56           HA       ILE  56 -11.404  -7.342   9.886
  398    HB   ILE  56           HB       ILE  56 -10.464  -8.355   7.883
  399   1HG1  ILE  56          1HG1      ILE  56 -13.276  -7.941   6.979
  400   2HG1  ILE  56          2HG1      ILE  56 -12.499  -6.608   7.833
  401   1HG2  ILE  56          1HG2      ILE  56 -12.469 -10.386   8.473
  402   2HG2  ILE  56          2HG2      ILE  56 -12.516  -9.894   6.782
  403   3HG2  ILE  56          3HG2      ILE  56 -11.018 -10.505   7.479
  404   1HD1  ILE  56          1HD1      ILE  56 -11.071  -8.021   5.588
  405   2HD1  ILE  56          2HD1      ILE  56 -12.239  -6.746   5.242
  406   3HD1  ILE  56          3HD1      ILE  56 -10.810  -6.393   6.212
  407    H    LYS  57           H        LYS  57 -13.129  -7.192  11.434
  408    HA   LYS  57           HA       LYS  57 -15.679  -8.572  10.728
  409   1HB   LYS  57          1HB       LYS  57 -14.571  -7.260  13.222
  410   2HB   LYS  57          2HB       LYS  57 -16.247  -7.797  13.099
  411   1HG   LYS  57          1HG       LYS  57 -14.925 -10.012  12.197
  412   2HG   LYS  57          2HG       LYS  57 -13.771  -9.390  13.377
  413   1HD   LYS  57          1HD       LYS  57 -16.164  -9.115  14.712
  414   2HD   LYS  57          2HD       LYS  57 -16.419 -10.604  13.803
  415   1HE   LYS  57          1HE       LYS  57 -13.965 -11.160  14.694
  416   2HE   LYS  57          2HE       LYS  57 -14.437 -10.026  15.975
  417   1HZ   LYS  57          1HZ       LYS  57 -16.541 -11.275  16.177
  418   2HZ   LYS  57          2HZ       LYS  57 -15.968 -12.407  15.051
  419   3HZ   LYS  57          3HZ       LYS  57 -15.188 -12.233  16.551
  420    H    LYS  58           H        LYS  58 -15.613  -6.778   8.916
  421    HA   LYS  58           HA       LYS  58 -16.991  -4.339   9.993
  422   1HB   LYS  58          1HB       LYS  58 -14.893  -4.707   7.849
  423   2HB   LYS  58          2HB       LYS  58 -15.885  -3.251   7.930
  424   1HG   LYS  58          1HG       LYS  58 -15.118  -3.395  10.511
  425   2HG   LYS  58          2HG       LYS  58 -13.732  -4.185   9.761
  426   1HD   LYS  58          1HD       LYS  58 -14.777  -1.607   8.620
  427   2HD   LYS  58          2HD       LYS  58 -13.725  -1.575  10.035
  428   1HE   LYS  58          1HE       LYS  58 -12.030  -1.615   8.495
  429   2HE   LYS  58          2HE       LYS  58 -12.404  -3.345   8.370
  430   1HZ   LYS  58          1HZ       LYS  58 -13.874  -1.264   6.846
  431   2HZ   LYS  58          2HZ       LYS  58 -12.499  -2.042   6.222
  432   3HZ   LYS  58          3HZ       LYS  58 -13.891  -2.942   6.597
  433    H    VAL  59           H        VAL  59 -18.866  -3.732   8.884
  434    HA   VAL  59           HA       VAL  59 -19.615  -5.379   6.488
  435    HB   VAL  59           HB       VAL  59 -21.299  -4.472   8.847
  436   1HG1  VAL  59          1HG1      VAL  59 -22.172  -4.828   6.269
  437   2HG1  VAL  59          2HG1      VAL  59 -22.373  -6.447   6.936
  438   3HG1  VAL  59          3HG1      VAL  59 -23.171  -5.074   7.701
  439   1HG2  VAL  59          1HG2      VAL  59 -19.578  -6.579   8.758
  440   2HG2  VAL  59          2HG2      VAL  59 -21.066  -6.577   9.706
  441   3HG2  VAL  59          3HG2      VAL  59 -21.037  -7.331   8.113
  442    H    ILE  60           H        ILE  60 -20.550  -4.211   4.800
  443    HA   ILE  60           HA       ILE  60 -21.439  -1.419   5.262
  444    HB   ILE  60           HB       ILE  60 -19.011  -1.295   4.889
  445   1HG1  ILE  60          2HG1      ILE  60 -20.901  -0.329   2.771
  446   2HG1  ILE  60          1HG1      ILE  60 -19.171  -0.085   2.537
  447   1HG2  ILE  60          1HG2      ILE  60 -19.516  -3.472   3.168
  448   2HG2  ILE  60          2HG2      ILE  60 -18.963  -2.160   2.128
  449   3HG2  ILE  60          3HG2      ILE  60 -17.960  -2.699   3.475
  450   1HD1  ILE  60          1HD1      ILE  60 -20.442   0.645   5.163
  451   2HD1  ILE  60          2HD1      ILE  60 -18.980   1.293   4.420
  452   3HD1  ILE  60          3HD1      ILE  60 -20.564   1.749   3.794
  453    H    ALA  61           H        ALA  61 -23.456  -1.571   4.331
  454    HA   ALA  61           HA       ALA  61 -23.605  -2.537   1.510
  455   1HB   ALA  61          2HB       ALA  61 -25.931  -3.482   2.635
  456   2HB   ALA  61          3HB       ALA  61 -24.479  -4.451   2.389
  457   3HB   ALA  61          1HB       ALA  61 -24.781  -3.699   3.955
  458    H    GLY  62           H        GLY  62 -23.631   0.041   1.641
  459   1HA   GLY  62          1HA       GLY  62 -25.033   1.822   0.916
  460   2HA   GLY  62          2HA       GLY  62 -26.442   0.827   1.289
  461    H    PHE  63           H        PHE  63 -24.139   3.125   2.571
  462    HA   PHE  63           HA       PHE  63 -25.767   3.258   5.090
  463   1HB   PHE  63          1HB       PHE  63 -23.465   2.294   5.320
  464   2HB   PHE  63          2HB       PHE  63 -22.807   3.806   4.694
  465    HD1  PHE  63           HD1      PHE  63 -25.364   2.758   7.245
  466    HD2  PHE  63           HD2      PHE  63 -22.029   5.295   6.297
  467    HE1  PHE  63           HE1      PHE  63 -25.475   3.752   9.515
  468    HE2  PHE  63           HE2      PHE  63 -22.140   6.288   8.566
  469    HZ   PHE  63           HZ       PHE  63 -23.862   5.517  10.175
  470    H    ALA  64           H        ALA  64 -25.964   4.778   2.477
  471    HA   ALA  64           HA       ALA  64 -25.229   7.523   3.408
  472   1HB   ALA  64          1HB       ALA  64 -25.923   6.306   0.718
  473   2HB   ALA  64          3HB       ALA  64 -24.340   6.874   1.253
  474   3HB   ALA  64          2HB       ALA  64 -25.638   8.030   0.959
  475    H    GLU  65           H        GLU  65 -27.812   6.437   1.209
  476    HA   GLU  65           HA       GLU  65 -29.746   8.035   2.845
  477   1HB   GLU  65          1HB       GLU  65 -29.641   7.202  -0.069
  478   2HB   GLU  65          2HB       GLU  65 -31.001   8.065   0.651
  479   1HG   GLU  65          1HG       GLU  65 -29.429   9.876   1.349
  480   2HG   GLU  65          2HG       GLU  65 -28.128   9.030   0.512
  481    H    ASN  66           H        ASN  66 -30.252   5.412   0.478
  482    HA   ASN  66           HA       ASN  66 -31.181   3.519   2.505
  483   1HB   ASN  66          1HB       ASN  66 -32.911   5.545   1.791
  484   2HB   ASN  66          2HB       ASN  66 -33.393   4.246   0.701
  485   2HD2  ASN  66          2HD2      ASN  66 -33.408   5.309   4.032
  486   1HD2  ASN  66          1HD2      ASN  66 -34.223   3.963   4.667
  487    H    GLN  67           H        GLN  67 -31.910   4.348  -0.913
  488    HA   GLN  67           HA       GLN  67 -31.818   1.564  -1.757
  489   1HB   GLN  67          1HB       GLN  67 -33.159   3.505  -2.727
  490   2HB   GLN  67          2HB       GLN  67 -31.649   4.086  -3.430
  491   1HG   GLN  67          2HG       GLN  67 -31.387   1.834  -4.529
  492   2HG   GLN  67          1HG       GLN  67 -32.781   2.749  -5.101
  493   2HE2  GLN  67          2HE2      GLN  67 -32.380  -0.251  -4.990
  494   1HE2  GLN  67          1HE2      GLN  67 -33.688  -0.837  -4.079
  495    H    LYS  68           H        LYS  68 -30.074   0.459  -2.636
  496    HA   LYS  68           HA       LYS  68 -27.397   1.304  -2.192
  497   1HB   LYS  68          1HB       LYS  68 -28.714  -0.983  -2.912
  498   2HB   LYS  68          2HB       LYS  68 -27.916  -0.565  -4.429
  499   1HG   LYS  68          1HG       LYS  68 -26.245  -0.327  -1.990
  500   2HG   LYS  68          2HG       LYS  68 -26.703  -1.969  -2.445
  501   1HD   LYS  68          1HD       LYS  68 -25.638  -0.058  -4.516
  502   2HD   LYS  68          2HD       LYS  68 -24.529  -0.944  -3.470
  503   1HE   LYS  68          1HE       LYS  68 -26.365  -2.884  -4.332
  504   2HE   LYS  68          2HE       LYS  68 -26.027  -1.908  -5.774
  505   1HZ   LYS  68          1HZ       LYS  68 -23.660  -2.086  -5.287
  506   2HZ   LYS  68          2HZ       LYS  68 -23.988  -3.032  -3.918
  507   3HZ   LYS  68          3HZ       LYS  68 -24.342  -3.632  -5.467
  508    H    TYR  69           H        TYR  69 -29.134   1.073  -5.330
  509    HA   TYR  69           HA       TYR  69 -27.145   2.322  -6.922
  510   1HB   TYR  69          1HB       TYR  69 -30.154   2.066  -7.076
  511   2HB   TYR  69          2HB       TYR  69 -29.224   2.826  -8.368
  512    HD1  TYR  69           HD1      TYR  69 -27.294   1.501  -9.410
  513    HD2  TYR  69           HD2      TYR  69 -30.295  -0.290  -6.914
  514    HE1  TYR  69           HE1      TYR  69 -26.704  -0.735 -10.306
  515    HE2  TYR  69           HE2      TYR  69 -29.706  -2.526  -7.810
  516    HH   TYR  69           HH       TYR  69 -27.725  -2.938 -10.565
  517    H    GLY  70           H        GLY  70 -28.015   4.542  -8.135
  518   1HA   GLY  70          1HA       GLY  70 -28.733   6.511  -6.016
  519   2HA   GLY  70          2HA       GLY  70 -27.294   6.788  -6.997

  No H/Q in entry =         519
  Start of MODEL   11
    1    H1   MET   1          1H        MET   1 -18.257  -3.203   2.539
    2    H2   MET   1          2H        MET   1 -18.651  -3.265   0.887
    3    H3   MET   1          3H        MET   1 -19.851  -3.529   2.059
    4    HA   MET   1           HA       MET   1 -19.189  -5.641   1.105
    5   1HB   MET   1          1HB       MET   1 -16.516  -4.437   1.800
    6   2HB   MET   1          2HB       MET   1 -16.684  -6.185   1.636
    7   1HG   MET   1          1HG       MET   1 -17.921  -5.516  -0.614
    8   2HG   MET   1          2HG       MET   1 -16.963  -4.045  -0.443
    9   1HE   MET   1          1HE       MET   1 -15.801  -4.484  -2.676
   10   2HE   MET   1          2HE       MET   1 -14.797  -3.781  -1.410
   11   3HE   MET   1          3HE       MET   1 -14.137  -5.029  -2.478
   12    H    GLU   2           H        GLU   2 -20.469  -6.515   2.756
   13    HA   GLU   2           HA       GLU   2 -19.714  -6.307   5.577
   14   1HB   GLU   2          1HB       GLU   2 -22.045  -6.468   4.393
   15   2HB   GLU   2          2HB       GLU   2 -21.735  -8.204   4.393
   16   1HG   GLU   2          1HG       GLU   2 -21.066  -7.348   6.982
   17   2HG   GLU   2          2HG       GLU   2 -22.557  -6.492   6.589
   18    H    ILE   3           H        ILE   3 -18.015  -7.547   6.315
   19    HA   ILE   3           HA       ILE   3 -18.027 -10.450   5.666
   20    HB   ILE   3           HB       ILE   3 -15.552 -10.255   5.167
   21   1HG1  ILE   3          1HG1      ILE   3 -16.258  -7.301   5.098
   22   2HG1  ILE   3          2HG1      ILE   3 -15.156  -8.078   6.234
   23   1HG2  ILE   3          1HG2      ILE   3 -17.503 -10.288   3.462
   24   2HG2  ILE   3          2HG2      ILE   3 -17.181  -8.566   3.269
   25   3HG2  ILE   3          3HG2      ILE   3 -15.926  -9.745   2.888
   26   1HD1  ILE   3          1HD1      ILE   3 -14.033  -8.912   3.942
   27   2HD1  ILE   3          2HD1      ILE   3 -14.756  -7.414   3.357
   28   3HD1  ILE   3          3HD1      ILE   3 -13.603  -7.375   4.690
   29    H    ASP   4           H        ASP   4 -17.854 -11.482   7.581
   30    HA   ASP   4           HA       ASP   4 -15.876 -10.630   9.603
   31   1HB   ASP   4          1HB       ASP   4 -17.834  -9.187   9.976
   32   2HB   ASP   4          2HB       ASP   4 -18.862 -10.618  10.061
   33    H    GLU   5           H        GLU   5 -17.135 -13.080   7.968
   34    HA   GLU   5           HA       GLU   5 -17.808 -14.995  10.057
   35   1HB   GLU   5          1HB       GLU   5 -17.801 -16.550   8.104
   36   2HB   GLU   5          2HB       GLU   5 -18.739 -15.091   7.792
   37   1HG   GLU   5          1HG       GLU   5 -17.291 -14.354   6.195
   38   2HG   GLU   5          2HG       GLU   5 -15.874 -14.883   7.101
   39    H    GLY   6           H        GLY   6 -15.610 -14.370  11.194
   40   1HA   GLY   6          1HA       GLY   6 -13.412 -14.965  11.773
   41   2HA   GLY   6          2HA       GLY   6 -13.877 -16.565  11.202
   42    H    LYS   7           H        LYS   7 -13.874 -13.798   9.045
   43    HA   LYS   7           HA       LYS   7 -11.923 -15.152   7.306
   44   1HB   LYS   7          1HB       LYS   7 -14.091 -13.831   6.716
   45   2HB   LYS   7          2HB       LYS   7 -13.094 -12.394   6.943
   46   1HG   LYS   7          1HG       LYS   7 -12.192 -12.675   4.899
   47   2HG   LYS   7          2HG       LYS   7 -11.636 -14.286   5.350
   48   1HD   LYS   7          1HD       LYS   7 -13.064 -14.716   3.530
   49   2HD   LYS   7          2HD       LYS   7 -14.106 -15.002   4.924
   50   1HE   LYS   7          1HE       LYS   7 -15.429 -13.197   4.445
   51   2HE   LYS   7          2HE       LYS   7 -14.043 -12.191   3.984
   52   1HZ   LYS   7          1HZ       LYS   7 -15.140 -14.445   2.375
   53   2HZ   LYS   7          2HZ       LYS   7 -15.426 -12.800   2.057
   54   3HZ   LYS   7          3HZ       LYS   7 -13.855 -13.428   1.928
   55    H    TYR   8           H        TYR   8  -9.750 -14.672   7.275
   56    HA   TYR   8           HA       TYR   8  -8.863 -12.208   8.745
   57   1HB   TYR   8          1HB       TYR   8  -7.816 -15.017   8.501
   58   2HB   TYR   8          2HB       TYR   8  -6.706 -13.708   8.898
   59    HD1  TYR   8           HD1      TYR   8 -10.017 -15.138   9.900
   60    HD2  TYR   8           HD2      TYR   8  -6.495 -13.006  11.126
   61    HE1  TYR   8           HE1      TYR   8 -10.804 -15.199  12.250
   62    HE2  TYR   8           HE2      TYR   8  -7.287 -13.057  13.478
   63    HH   TYR   8           HH       TYR   8  -9.795 -13.277  14.571
   64    H    GLU   9           H        GLU   9  -7.188 -10.960   7.777
   65    HA   GLU   9           HA       GLU   9  -6.630 -11.614   4.901
   66   1HB   GLU   9          1HB       GLU   9  -8.099  -9.687   5.199
   67   2HB   GLU   9          2HB       GLU   9  -6.976  -8.973   6.358
   68   1HG   GLU   9          1HG       GLU   9  -5.724  -9.666   3.791
   69   2HG   GLU   9          2HG       GLU   9  -6.999  -8.457   3.642
   70    H    CYS  10           H        CYS  10  -4.482 -11.852   4.404
   71    HA   CYS  10           HA       CYS  10  -2.428 -11.627   6.452
   72   1HB   CYS  10          1HB       CYS  10  -2.669 -13.156   4.338
   73   2HB   CYS  10          2HB       CYS  10  -1.962 -11.793   3.490
   74    H    GLU  11           H        GLU  11  -1.661  -9.618   7.078
   75    HA   GLU  11           HA       GLU  11  -1.879  -7.252   5.411
   76   1HB   GLU  11          1HB       GLU  11  -1.171  -8.016   8.075
   77   2HB   GLU  11          2HB       GLU  11   0.130  -7.014   7.436
   78   1HG   GLU  11          1HG       GLU  11  -1.302  -5.185   7.044
   79   2HG   GLU  11          2HG       GLU  11  -2.750  -6.192   7.094
   80    H    ALA  12           H        ALA  12   0.284  -9.900   5.432
   81    HA   ALA  12           HA       ALA  12   2.644  -8.431   4.501
   82   1HB   ALA  12          1HB       ALA  12   1.866 -11.319   4.911
   83   2HB   ALA  12          2HB       ALA  12   3.424 -10.867   4.219
   84   3HB   ALA  12          3HB       ALA  12   3.002 -10.352   5.852
   85    H    CYS  13           H        CYS  13   0.213 -10.646   3.003
   86    HA   CYS  13           HA       CYS  13   1.313  -9.748   0.363
   87   1HB   CYS  13          2HB       CYS  13   1.726 -12.137   1.156
   88   2HB   CYS  13          1HB       CYS  13   1.000 -11.974  -0.439
   89    H    GLY  14           H        GLY  14  -1.613 -10.439   2.220
   90   1HA   GLY  14          1HA       GLY  14  -3.593  -9.028   1.771
   91   2HA   GLY  14          2HA       GLY  14  -3.150  -9.047   0.065
   92    H    TYR  15           H        TYR  15  -2.878 -11.987   1.877
   93    HA   TYR  15           HA       TYR  15  -4.868 -13.289   0.162
   94   1HB   TYR  15          1HB       TYR  15  -2.805 -14.431   0.697
   95   2HB   TYR  15          2HB       TYR  15  -3.039 -14.159   2.423
   96    HD1  TYR  15           HD1      TYR  15  -4.676 -15.457   3.697
   97    HD2  TYR  15           HD2      TYR  15  -4.095 -16.130  -0.505
   98    HE1  TYR  15           HE1      TYR  15  -5.939 -17.585   3.864
   99    HE2  TYR  15           HE2      TYR  15  -5.357 -18.259  -0.338
  100    HH   TYR  15           HH       TYR  15  -7.370 -19.032   1.878
  101    H    ILE  16           H        ILE  16  -6.704 -14.499   1.101
  102    HA   ILE  16           HA       ILE  16  -7.661 -13.317   3.686
  103    HB   ILE  16           HB       ILE  16  -9.143 -14.015   1.132
  104   1HG1  ILE  16          1HG1      ILE  16  -7.831 -11.919   1.098
  105   2HG1  ILE  16          2HG1      ILE  16  -9.564 -11.601   1.030
  106   1HG2  ILE  16          1HG2      ILE  16 -10.116 -14.050   3.774
  107   2HG2  ILE  16          2HG2      ILE  16 -10.659 -12.516   3.095
  108   3HG2  ILE  16          3HG2      ILE  16 -11.074 -14.032   2.294
  109   1HD1  ILE  16          1HD1      ILE  16  -9.351 -11.452   3.650
  110   2HD1  ILE  16          2HD1      ILE  16  -7.643 -11.187   3.306
  111   3HD1  ILE  16          3HD1      ILE  16  -8.852 -10.080   2.662
  112    H    TYR  17           H        TYR  17  -7.685 -14.932   5.183
  113    HA   TYR  17           HA       TYR  17  -7.819 -17.758   4.411
  114   1HB   TYR  17          1HB       TYR  17  -6.390 -17.036   6.232
  115   2HB   TYR  17          2HB       TYR  17  -7.745 -16.257   7.043
  116    HD1  TYR  17           HD1      TYR  17  -6.397 -19.556   5.963
  117    HD2  TYR  17           HD2      TYR  17  -9.216 -17.490   8.463
  118    HE1  TYR  17           HE1      TYR  17  -6.931 -21.681   7.124
  119    HE2  TYR  17           HE2      TYR  17  -9.751 -19.615   9.621
  120    HH   TYR  17           HH       TYR  17  -9.342 -22.425   8.583
  121    H    GLU  18           H        GLU  18  -9.625 -19.048   4.486
  122    HA   GLU  18           HA       GLU  18 -12.171 -17.812   5.472
  123   1HB   GLU  18          1HB       GLU  18 -11.463 -19.715   3.235
  124   2HB   GLU  18          2HB       GLU  18 -13.124 -19.552   3.809
  125   1HG   GLU  18          1HG       GLU  18 -12.456 -16.934   3.535
  126   2HG   GLU  18          2HG       GLU  18 -11.456 -17.641   2.266
  127    HA   PRO  19           HA       PRO  19 -11.643 -21.160   8.445
  128   1HB   PRO  19          1HB       PRO  19 -13.790 -20.476  10.008
  129   2HB   PRO  19          2HB       PRO  19 -12.205 -19.703  10.120
  130   1HG   PRO  19          1HG       PRO  19 -14.679 -18.741   8.788
  131   2HG   PRO  19          2HG       PRO  19 -13.458 -17.841   9.693
  132   1HD   PRO  19          1HD       PRO  19 -13.587 -17.885   6.964
  133   2HD   PRO  19          2HD       PRO  19 -12.088 -17.615   7.878
  134    H    GLU  20           H        GLU  20 -15.057 -20.342   7.920
  135    HA   GLU  20           HA       GLU  20 -16.260 -22.810   8.106
  136   1HB   GLU  20          1HB       GLU  20 -17.176 -20.455   7.560
  137   2HB   GLU  20          2HB       GLU  20 -16.913 -20.889   5.871
  138   1HG   GLU  20          2HG       GLU  20 -18.195 -23.123   6.929
  139   2HG   GLU  20          1HG       GLU  20 -18.951 -21.869   5.946
  140    H    LYS  21           H        LYS  21 -14.238 -21.709   5.440
  141    HA   LYS  21           HA       LYS  21 -14.918 -24.117   3.834
  142   1HB   LYS  21          1HB       LYS  21 -14.750 -21.728   2.940
  143   2HB   LYS  21          2HB       LYS  21 -13.010 -21.850   3.203
  144   1HG   LYS  21          2HG       LYS  21 -13.629 -24.207   1.864
  145   2HG   LYS  21          1HG       LYS  21 -12.906 -22.772   1.139
  146   1HD   LYS  21          1HD       LYS  21 -15.846 -23.487   1.269
  147   2HD   LYS  21          2HD       LYS  21 -15.261 -21.894   0.788
  148   1HE   LYS  21          1HE       LYS  21 -13.741 -23.319  -0.870
  149   2HE   LYS  21          2HE       LYS  21 -15.039 -24.510  -0.661
  150   1HZ   LYS  21          1HZ       LYS  21 -15.652 -21.657  -1.139
  151   2HZ   LYS  21          2HZ       LYS  21 -15.331 -22.695  -2.445
  152   3HZ   LYS  21          3HZ       LYS  21 -16.636 -23.015  -1.410
  153    H    GLY  22           H        GLY  22 -12.341 -22.769   5.804
  154   1HA   GLY  22          1HA       GLY  22 -10.535 -23.985   6.760
  155   2HA   GLY  22          2HA       GLY  22 -10.954 -25.359   5.737
  156    H    ASP  23           H        ASP  23  -8.293 -24.406   6.071
  157    HA   ASP  23           HA       ASP  23  -7.579 -22.815   3.702
  158   1HB   ASP  23          1HB       ASP  23  -6.516 -23.343   6.226
  159   2HB   ASP  23          2HB       ASP  23  -5.444 -24.217   5.132
  160    H    LYS  24           H        LYS  24  -8.854 -24.841   2.585
  161    HA   LYS  24           HA       LYS  24  -7.763 -27.364   2.181
  162   1HB   LYS  24          1HB       LYS  24  -9.451 -25.457   0.765
  163   2HB   LYS  24          2HB       LYS  24  -8.548 -26.475  -0.356
  164   1HG   LYS  24          1HG       LYS  24  -9.298 -28.430   1.211
  165   2HG   LYS  24          2HG       LYS  24 -10.524 -27.289   1.765
  166   1HD   LYS  24          1HD       LYS  24 -10.930 -26.929  -0.815
  167   2HD   LYS  24          2HD       LYS  24 -10.161 -28.511  -0.955
  168   1HE   LYS  24          1HE       LYS  24 -12.398 -28.083   1.027
  169   2HE   LYS  24          2HE       LYS  24 -12.752 -28.446  -0.672
  170   1HZ   LYS  24          1HZ       LYS  24 -11.236 -30.348  -0.515
  171   2HZ   LYS  24          2HZ       LYS  24 -10.976 -30.016   1.131
  172   3HZ   LYS  24          3HZ       LYS  24 -12.514 -30.493   0.591
  173    H    PHE  25           H        PHE  25  -6.475 -24.293   1.067
  174    HA   PHE  25           HA       PHE  25  -4.626 -25.424  -0.880
  175   1HB   PHE  25          1HB       PHE  25  -4.836 -22.770   0.574
  176   2HB   PHE  25          2HB       PHE  25  -3.691 -23.082  -0.731
  177    HD1  PHE  25           HD1      PHE  25  -4.691 -24.012  -2.959
  178    HD2  PHE  25           HD2      PHE  25  -7.001 -22.026   0.070
  179    HE1  PHE  25           HE1      PHE  25  -6.460 -23.524  -4.628
  180    HE2  PHE  25           HE2      PHE  25  -8.769 -21.536  -1.600
  181    HZ   PHE  25           HZ       PHE  25  -8.498 -22.286  -3.949
  182    H    ALA  26           H        ALA  26  -4.563 -24.742   2.570
  183    HA   ALA  26           HA       ALA  26  -1.639 -25.276   2.717
  184   1HB   ALA  26          3HB       ALA  26  -1.953 -23.598   4.216
  185   2HB   ALA  26          1HB       ALA  26  -3.698 -23.852   4.239
  186   3HB   ALA  26          2HB       ALA  26  -2.651 -24.826   5.271
  187    H    GLY  27           H        GLY  27  -4.747 -26.719   3.491
  188   1HA   GLY  27          1HA       GLY  27  -4.662 -29.251   3.552
  189   2HA   GLY  27          2HA       GLY  27  -3.298 -29.066   4.653
  190    H    ILE  28           H        ILE  28  -5.970 -26.842   4.953
  191    HA   ILE  28           HA       ILE  28  -6.744 -28.228   7.491
  192    HB   ILE  28           HB       ILE  28  -6.717 -25.341   6.575
  193   1HG1  ILE  28          1HG1      ILE  28  -5.513 -26.079   9.141
  194   2HG1  ILE  28          2HG1      ILE  28  -4.781 -26.911   7.769
  195   1HG2  ILE  28          1HG2      ILE  28  -7.832 -26.491   9.153
  196   2HG2  ILE  28          2HG2      ILE  28  -7.632 -24.773   8.807
  197   3HG2  ILE  28          3HG2      ILE  28  -8.777 -25.733   7.870
  198   1HD1  ILE  28          1HD1      ILE  28  -5.284 -23.928   7.774
  199   2HD1  ILE  28          2HD1      ILE  28  -3.780 -24.632   8.367
  200   3HD1  ILE  28          3HD1      ILE  28  -4.251 -24.851   6.682
  201    HA   PRO  29           HA       PRO  29 -10.623 -28.806   5.346
  202   1HB   PRO  29          1HB       PRO  29 -12.015 -29.901   7.431
  203   2HB   PRO  29          2HB       PRO  29 -10.826 -30.811   6.481
  204   1HG   PRO  29          1HG       PRO  29 -10.563 -29.559   9.168
  205   2HG   PRO  29          2HG       PRO  29  -9.890 -31.078   8.561
  206   1HD   PRO  29          1HD       PRO  29  -8.465 -28.742   8.816
  207   2HD   PRO  29          2HD       PRO  29  -8.048 -30.048   7.687
  208    HA   PRO  30           HA       PRO  30 -13.186 -25.440   6.600
  209   1HB   PRO  30          1HB       PRO  30 -15.735 -26.408   6.418
  210   2HB   PRO  30          2HB       PRO  30 -14.737 -26.053   4.995
  211   1HG   PRO  30          2HG       PRO  30 -15.214 -28.276   4.600
  212   2HG   PRO  30          1HG       PRO  30 -15.297 -28.661   6.325
  213   1HD   PRO  30          1HD       PRO  30 -13.188 -29.487   5.951
  214   2HD   PRO  30          2HD       PRO  30 -12.918 -28.431   4.550
  215    H    GLY  31           H        GLY  31 -15.556 -25.331   8.020
  216   1HA   GLY  31          1HA       GLY  31 -16.292 -25.235  10.255
  217   2HA   GLY  31          2HA       GLY  31 -15.890 -26.952  10.284
  218    H    THR  32           H        THR  32 -13.527 -24.393   9.729
  219    HA   THR  32           HA       THR  32 -12.439 -24.830  12.480
  220    HB   THR  32           HB       THR  32 -10.939 -24.941   9.844
  221    HG1  THR  32           HG1      THR  32 -11.788 -26.883  10.029
  222   1HG2  THR  32          1HG2      THR  32  -9.962 -24.118  12.277
  223   2HG2  THR  32          2HG2      THR  32  -9.631 -25.850  12.317
  224   3HG2  THR  32          3HG2      THR  32  -8.993 -24.860  11.004
  225    HA   PRO  33           HA       PRO  33 -12.335 -20.379  11.919
  226   1HB   PRO  33          1HB       PRO  33 -11.621 -19.752  14.481
  227   2HB   PRO  33          2HB       PRO  33 -13.276 -20.187  14.021
  228   1HG   PRO  33          1HG       PRO  33 -11.188 -21.812  15.369
  229   2HG   PRO  33          2HG       PRO  33 -12.941 -21.810  15.600
  230   1HD   PRO  33          1HD       PRO  33 -11.537 -23.698  14.151
  231   2HD   PRO  33          2HD       PRO  33 -13.268 -23.356  13.962
  232    H    PHE  34           H        PHE  34 -10.642 -18.811  11.737
  233    HA   PHE  34           HA       PHE  34  -8.053 -19.677  11.064
  234   1HB   PHE  34          1HB       PHE  34  -8.821 -17.529  10.384
  235   2HB   PHE  34          2HB       PHE  34  -9.253 -17.073  12.020
  236    HD1  PHE  34           HD1      PHE  34  -6.480 -17.495   9.626
  237    HD2  PHE  34           HD2      PHE  34  -7.569 -16.305  13.607
  238    HE1  PHE  34           HE1      PHE  34  -4.248 -16.457   9.927
  239    HE2  PHE  34           HE2      PHE  34  -5.337 -15.268  13.909
  240    HZ   PHE  34           HZ       PHE  34  -3.676 -15.343  12.068
  241    H    VAL  35           H        VAL  35  -9.359 -18.760  14.221
  242    HA   VAL  35           HA       VAL  35  -6.888 -18.576  15.658
  243    HB   VAL  35           HB       VAL  35  -8.399 -18.862  17.607
  244   1HG1  VAL  35          1HG1      VAL  35  -8.298 -16.700  16.332
  245   2HG1  VAL  35          2HG1      VAL  35  -9.700 -17.234  15.405
  246   3HG1  VAL  35          3HG1      VAL  35  -9.842 -16.964  17.142
  247   1HG2  VAL  35          1HG2      VAL  35 -10.001 -20.205  15.556
  248   2HG2  VAL  35          2HG2      VAL  35 -10.086 -20.344  17.311
  249   3HG2  VAL  35          3HG2      VAL  35 -10.933 -19.033  16.489
  250    H    ASP  36           H        ASP  36  -8.543 -21.304  14.341
  251    HA   ASP  36           HA       ASP  36  -7.464 -23.247  16.270
  252   1HB   ASP  36          1HB       ASP  36  -9.562 -23.079  14.407
  253   2HB   ASP  36          2HB       ASP  36  -8.471 -24.302  13.756
  254    H    LEU  37           H        LEU  37  -6.434 -21.751  13.310
  255    HA   LEU  37           HA       LEU  37  -4.833 -23.702  12.081
  256   1HB   LEU  37          1HB       LEU  37  -4.380 -20.738  12.548
  257   2HB   LEU  37          2HB       LEU  37  -3.472 -21.698  11.380
  258    HG   LEU  37           HG       LEU  37  -6.477 -21.273  11.392
  259   1HD1  LEU  37          1HD1      LEU  37  -4.923 -19.378  10.628
  260   2HD1  LEU  37          2HD1      LEU  37  -4.466 -20.440   9.295
  261   3HD1  LEU  37          3HD1      LEU  37  -6.140 -19.912   9.469
  262   1HD2  LEU  37          1HD2      LEU  37  -4.748 -23.265  10.111
  263   2HD2  LEU  37          2HD2      LEU  37  -6.504 -23.241  10.272
  264   3HD2  LEU  37          3HD2      LEU  37  -5.727 -22.363   8.955
  265    H    SER  38           H        SER  38  -2.700 -24.451  12.440
  266    HA   SER  38           HA       SER  38  -1.756 -24.886  15.036
  267   1HB   SER  38          1HB       SER  38  -1.060 -25.640  12.549
  268   2HB   SER  38          2HB       SER  38   0.230 -24.476  12.849
  269    HG   SER  38           HG       SER  38  -0.378 -26.863  14.186
  270    H    ASP  39           H        ASP  39   0.111 -23.930  16.173
  271    HA   ASP  39           HA       ASP  39  -0.022 -21.066  16.388
  272   1HB   ASP  39          1HB       ASP  39   1.809 -23.248  17.393
  273   2HB   ASP  39          2HB       ASP  39   2.091 -21.556  17.803
  274    H    SER  40           H        SER  40   1.692 -23.103  14.198
  275    HA   SER  40           HA       SER  40   3.497 -20.817  13.475
  276   1HB   SER  40          1HB       SER  40   4.731 -22.682  14.413
  277   2HB   SER  40          2HB       SER  40   3.882 -23.824  13.371
  278    HG   SER  40           HG       SER  40   4.966 -23.098  11.647
  279    H    PHE  41           H        PHE  41   0.710 -21.634  12.481
  280    HA   PHE  41           HA       PHE  41   0.789 -22.823   9.921
  281   1HB   PHE  41          1HB       PHE  41  -1.304 -22.379  10.955
  282   2HB   PHE  41          2HB       PHE  41  -0.910 -20.695  11.237
  283    HD1  PHE  41           HD1      PHE  41  -1.901 -23.181   8.675
  284    HD2  PHE  41           HD2      PHE  41  -1.173 -19.028   9.501
  285    HE1  PHE  41           HE1      PHE  41  -2.967 -22.564   6.522
  286    HE2  PHE  41           HE2      PHE  41  -2.240 -18.413   7.349
  287    HZ   PHE  41           HZ       PHE  41  -3.137 -20.180   5.860
  288    H    MET  42           H        MET  42   1.504 -22.106   7.935
  289    HA   MET  42           HA       MET  42   2.644 -19.337   7.799
  290   1HB   MET  42          2HB       MET  42   4.141 -20.277   6.131
  291   2HB   MET  42          1HB       MET  42   3.205 -21.768   6.066
  292   1HG   MET  42          2HG       MET  42   3.930 -21.287   8.796
  293   2HG   MET  42          1HG       MET  42   5.381 -21.120   7.807
  294   1HE   MET  42          1HE       MET  42   5.854 -22.794   9.578
  295   2HE   MET  42          2HE       MET  42   5.690 -24.544   9.375
  296   3HE   MET  42          3HE       MET  42   6.776 -23.630   8.331
  297    H    CYS  43           H        CYS  43   2.142 -18.067   5.915
  298    HA   CYS  43           HA       CYS  43  -0.504 -18.375   4.848
  299   1HB   CYS  43          1HB       CYS  43   0.925 -16.283   5.132
  300   2HB   CYS  43          2HB       CYS  43   1.801 -16.798   3.692
  301    HA   PRO  44           HA       PRO  44   0.554 -21.231   1.590
  302   1HB   PRO  44          1HB       PRO  44  -1.840 -21.179   0.270
  303   2HB   PRO  44          2HB       PRO  44  -1.595 -22.068   1.785
  304   1HG   PRO  44          1HG       PRO  44  -2.904 -19.441   1.312
  305   2HG   PRO  44          2HG       PRO  44  -3.317 -20.717   2.466
  306   1HD   PRO  44          1HD       PRO  44  -1.969 -18.399   3.105
  307   2HD   PRO  44          2HD       PRO  44  -1.896 -19.900   4.050
  308    H    ALA  45           H        ALA  45  -0.137 -17.904   1.284
  309    HA   ALA  45           HA       ALA  45   0.403 -17.932  -1.653
  310   1HB   ALA  45          3HB       ALA  45  -1.668 -16.867  -1.068
  311   2HB   ALA  45          2HB       ALA  45  -0.530 -15.568  -1.429
  312   3HB   ALA  45          1HB       ALA  45  -0.903 -15.973   0.247
  313    H    CYS  46           H        CYS  46   1.514 -16.625   1.455
  314    HA   CYS  46           HA       CYS  46   3.971 -15.707   0.031
  315   1HB   CYS  46          1HB       CYS  46   3.778 -13.555   0.873
  316   2HB   CYS  46          2HB       CYS  46   2.085 -13.975   0.660
  317    H    ARG  47           H        ARG  47   2.904 -17.843   2.218
  318    HA   ARG  47           HA       ARG  47   3.953 -19.088   3.920
  319   1HB   ARG  47          1HB       ARG  47   5.812 -18.283   1.992
  320   2HB   ARG  47          2HB       ARG  47   6.601 -17.949   3.534
  321   1HG   ARG  47          1HG       ARG  47   5.964 -20.287   4.262
  322   2HG   ARG  47          2HG       ARG  47   5.429 -20.586   2.607
  323   1HD   ARG  47          1HD       ARG  47   7.643 -20.298   1.737
  324   2HD   ARG  47          2HD       ARG  47   8.225 -19.603   3.261
  325    HE   ARG  47           HE       ARG  47   7.238 -22.071   4.023
  326   1HH1  ARG  47          1HH1      ARG  47   9.950 -20.753   2.498
  327   2HH1  ARG  47          2HH1      ARG  47  10.680 -22.274   2.113
  328   1HH2  ARG  47          1HH2      ARG  47   7.949 -24.147   3.146
  329   2HH2  ARG  47          2HH2      ARG  47   9.547 -24.197   2.477
  330    H    SER  48           H        SER  48   3.331 -15.963   4.373
  331    HA   SER  48           HA       SER  48   5.171 -15.093   6.401
  332   1HB   SER  48          1HB       SER  48   2.396 -14.431   5.488
  333   2HB   SER  48          2HB       SER  48   2.942 -13.771   7.027
  334    HG   SER  48           HG       SER  48   4.114 -12.411   5.977
  335    HA   PRO  49           HA       PRO  49   3.810 -17.383   9.902
  336   1HB   PRO  49          1HB       PRO  49   3.942 -15.545  11.922
  337   2HB   PRO  49          2HB       PRO  49   5.382 -16.251  11.165
  338   1HG   PRO  49          2HG       PRO  49   5.833 -14.038  10.761
  339   2HG   PRO  49          1HG       PRO  49   4.123 -13.589  10.743
  340   1HD   PRO  49          1HD       PRO  49   4.363 -13.594   8.478
  341   2HD   PRO  49          2HD       PRO  49   5.831 -14.591   8.547
  342    H    LYS  50           H        LYS  50   1.847 -17.898  10.901
  343    HA   LYS  50           HA       LYS  50  -0.589 -16.745  10.102
  344   1HB   LYS  50          1HB       LYS  50  -0.200 -18.964  11.184
  345   2HB   LYS  50          2HB       LYS  50   0.098 -18.138  12.713
  346   1HG   LYS  50          1HG       LYS  50  -2.268 -17.040  12.162
  347   2HG   LYS  50          2HG       LYS  50  -2.468 -18.526  11.231
  348   1HD   LYS  50          1HD       LYS  50  -2.160 -19.895  13.151
  349   2HD   LYS  50          2HD       LYS  50  -1.509 -18.557  14.097
  350   1HE   LYS  50          1HE       LYS  50  -4.210 -18.027  13.050
  351   2HE   LYS  50          2HE       LYS  50  -4.138 -19.391  14.183
  352   1HZ   LYS  50          1HZ       LYS  50  -2.771 -17.971  15.654
  353   2HZ   LYS  50          2HZ       LYS  50  -3.028 -16.661  14.602
  354   3HZ   LYS  50          3HZ       LYS  50  -4.338 -17.352  15.428
  355    H    ASN  51           H        ASN  51   1.603 -15.715  12.636
  356    HA   ASN  51           HA       ASN  51  -0.266 -14.046  14.070
  357   1HB   ASN  51          1HB       ASN  51   2.166 -14.973  14.581
  358   2HB   ASN  51          2HB       ASN  51   2.670 -13.456  13.838
  359   2HD2  ASN  51          2HD2      ASN  51   2.413 -14.587  16.810
  360   1HD2  ASN  51          1HD2      ASN  51   1.732 -13.266  17.633
  361    H    GLN  52           H        GLN  52   1.121 -13.774  10.962
  362    HA   GLN  52           HA       GLN  52   1.103 -10.824  10.912
  363   1HB   GLN  52          1HB       GLN  52   2.350 -12.967   9.537
  364   2HB   GLN  52          2HB       GLN  52   1.350 -12.131   8.350
  365   1HG   GLN  52          1HG       GLN  52   3.311 -10.757  10.213
  366   2HG   GLN  52          2HG       GLN  52   3.660 -11.175   8.535
  367   2HE2  GLN  52          2HE2      GLN  52   1.213 -10.512   7.292
  368   1HE2  GLN  52          1HE2      GLN  52   0.933  -8.846   7.453
  369    H    PHE  53           H        PHE  53  -1.254 -13.230  10.714
  370    HA   PHE  53           HA       PHE  53  -2.822 -12.001   8.535
  371   1HB   PHE  53          1HB       PHE  53  -3.218 -14.253  10.519
  372   2HB   PHE  53          2HB       PHE  53  -4.480 -13.766   9.392
  373    HD1  PHE  53           HD1      PHE  53  -0.801 -14.544   9.364
  374    HD2  PHE  53           HD2      PHE  53  -4.579 -14.852   7.342
  375    HE1  PHE  53           HE1      PHE  53   0.268 -15.882   7.571
  376    HE2  PHE  53           HE2      PHE  53  -3.509 -16.191   5.549
  377    HZ   PHE  53           HZ       PHE  53  -1.087 -16.705   5.665
  378    H    LYS  54           H        LYS  54  -4.582 -10.624   8.847
  379    HA   LYS  54           HA       LYS  54  -5.218  -9.867  11.683
  380   1HB   LYS  54          1HB       LYS  54  -4.000  -8.322   9.834
  381   2HB   LYS  54          2HB       LYS  54  -5.681  -7.985   9.418
  382   1HG   LYS  54          1HG       LYS  54  -5.104  -7.955  12.314
  383   2HG   LYS  54          2HG       LYS  54  -4.293  -6.688  11.393
  384   1HD   LYS  54          1HD       LYS  54  -7.105  -7.085  10.630
  385   2HD   LYS  54          2HD       LYS  54  -6.893  -6.558  12.300
  386   1HE   LYS  54          1HE       LYS  54  -6.105  -4.493  11.674
  387   2HE   LYS  54          2HE       LYS  54  -5.228  -5.145  10.277
  388   1HZ   LYS  54          1HZ       LYS  54  -8.193  -5.012  10.462
  389   2HZ   LYS  54          2HZ       LYS  54  -7.255  -3.828   9.693
  390   3HZ   LYS  54          3HZ       LYS  54  -7.268  -5.419   9.097
  391    H    SER  55           H        SER  55  -7.319 -10.324  12.220
  392    HA   SER  55           HA       SER  55  -9.219 -11.487  10.480
  393   1HB   SER  55          1HB       SER  55  -9.563 -11.774  12.776
  394   2HB   SER  55          2HB       SER  55  -9.297 -10.072  13.120
  395    HG   SER  55           HG       SER  55 -11.373  -9.921  13.054
  396    H    ILE  56           H        ILE  56 -11.495 -10.392  10.263
  397    HA   ILE  56           HA       ILE  56 -11.420  -7.505   9.632
  398    HB   ILE  56           HB       ILE  56 -12.086  -7.972   7.260
  399   1HG1  ILE  56          1HG1      ILE  56 -11.061 -10.662   7.122
  400   2HG1  ILE  56          2HG1      ILE  56 -12.388 -10.597   8.283
  401   1HG2  ILE  56          1HG2      ILE  56  -9.667  -7.622   8.073
  402   2HG2  ILE  56          2HG2      ILE  56  -9.479  -9.365   7.878
  403   3HG2  ILE  56          3HG2      ILE  56  -9.878  -8.359   6.485
  404   1HD1  ILE  56          1HD1      ILE  56 -12.949  -9.037   5.876
  405   2HD1  ILE  56          2HD1      ILE  56 -12.646 -10.736   5.513
  406   3HD1  ILE  56          3HD1      ILE  56 -13.920 -10.290   6.649
  407    H    LYS  57           H        LYS  57 -13.119  -7.599  11.320
  408    HA   LYS  57           HA       LYS  57 -15.635  -8.998  10.550
  409   1HB   LYS  57          1HB       LYS  57 -16.253  -8.430  12.897
  410   2HB   LYS  57          2HB       LYS  57 -14.724  -9.304  12.814
  411   1HG   LYS  57          1HG       LYS  57 -14.152  -6.518  12.545
  412   2HG   LYS  57          2HG       LYS  57 -15.225  -6.717  13.930
  413   1HD   LYS  57          1HD       LYS  57 -13.005  -8.683  13.680
  414   2HD   LYS  57          2HD       LYS  57 -12.554  -7.034  14.114
  415   1HE   LYS  57          1HE       LYS  57 -14.046  -7.070  16.037
  416   2HE   LYS  57          2HE       LYS  57 -14.695  -8.647  15.550
  417   1HZ   LYS  57          1HZ       LYS  57 -11.839  -8.074  16.160
  418   2HZ   LYS  57          2HZ       LYS  57 -12.913  -8.864  17.208
  419   3HZ   LYS  57          3HZ       LYS  57 -12.483  -9.587  15.731
  420    H    LYS  58           H        LYS  58 -15.513  -7.130   8.752
  421    HA   LYS  58           HA       LYS  58 -16.611  -4.562   9.771
  422   1HB   LYS  58          1HB       LYS  58 -14.889  -5.366   7.710
  423   2HB   LYS  58          2HB       LYS  58 -16.374  -4.894   6.884
  424   1HG   LYS  58          1HG       LYS  58 -15.948  -2.713   7.259
  425   2HG   LYS  58          2HG       LYS  58 -15.763  -3.004   8.988
  426   1HD   LYS  58          1HD       LYS  58 -13.451  -3.441   8.788
  427   2HD   LYS  58          2HD       LYS  58 -13.566  -3.721   7.050
  428   1HE   LYS  58          1HE       LYS  58 -14.401  -1.025   8.020
  429   2HE   LYS  58          2HE       LYS  58 -12.665  -1.387   8.044
  430   1HZ   LYS  58          1HZ       LYS  58 -14.472  -1.865   5.726
  431   2HZ   LYS  58          2HZ       LYS  58 -13.430  -0.530   5.870
  432   3HZ   LYS  58          3HZ       LYS  58 -12.788  -2.096   5.759
  433    H    VAL  59           H        VAL  59 -18.753  -3.967   9.433
  434    HA   VAL  59           HA       VAL  59 -20.452  -5.592   7.614
  435    HB   VAL  59           HB       VAL  59 -22.034  -6.027   9.470
  436   1HG1  VAL  59          1HG1      VAL  59 -20.025  -7.544   8.922
  437   2HG1  VAL  59          2HG1      VAL  59 -19.274  -6.867  10.366
  438   3HG1  VAL  59          3HG1      VAL  59 -20.785  -7.765  10.498
  439   1HG2  VAL  59          1HG2      VAL  59 -19.899  -4.666  11.144
  440   2HG2  VAL  59          2HG2      VAL  59 -21.528  -4.061  10.842
  441   3HG2  VAL  59          3HG2      VAL  59 -21.294  -5.527  11.795
  442    H    ILE  60           H        ILE  60 -21.997  -4.294   6.652
  443    HA   ILE  60           HA       ILE  60 -22.535  -1.613   7.892
  444    HB   ILE  60           HB       ILE  60 -22.118  -2.337   4.972
  445   1HG1  ILE  60          1HG1      ILE  60 -20.203  -0.517   5.577
  446   2HG1  ILE  60          2HG1      ILE  60 -20.346  -1.334   7.133
  447   1HG2  ILE  60          1HG2      ILE  60 -23.439  -0.124   6.229
  448   2HG2  ILE  60          2HG2      ILE  60 -21.948   0.459   5.492
  449   3HG2  ILE  60          3HG2      ILE  60 -23.142  -0.388   4.510
  450   1HD1  ILE  60          1HD1      ILE  60 -20.372  -3.426   5.305
  451   2HD1  ILE  60          2HD1      ILE  60 -19.196  -2.305   4.622
  452   3HD1  ILE  60          3HD1      ILE  60 -18.980  -2.916   6.262
  453    H    ALA  61           H        ALA  61 -23.704  -4.086   5.589
  454    HA   ALA  61           HA       ALA  61 -26.488  -3.510   6.491
  455   1HB   ALA  61          2HB       ALA  61 -25.948  -3.852   3.567
  456   2HB   ALA  61          1HB       ALA  61 -25.543  -2.301   4.302
  457   3HB   ALA  61          3HB       ALA  61 -27.199  -2.902   4.369
  458    H    GLY  62           H        GLY  62 -27.395  -5.461   6.996
  459   1HA   GLY  62          1HA       GLY  62 -26.944  -7.782   5.233
  460   2HA   GLY  62          2HA       GLY  62 -26.403  -7.968   6.901
  461    H    PHE  63           H        PHE  63 -27.906  -8.806   8.268
  462    HA   PHE  63           HA       PHE  63 -30.751  -8.854   7.397
  463   1HB   PHE  63          1HB       PHE  63 -29.080 -10.766   8.351
  464   2HB   PHE  63          2HB       PHE  63 -29.814 -10.226   9.861
  465    HD1  PHE  63           HD1      PHE  63 -32.236 -10.431  10.236
  466    HD2  PHE  63           HD2      PHE  63 -30.404 -11.845   6.617
  467    HE1  PHE  63           HE1      PHE  63 -34.292 -11.708   9.693
  468    HE2  PHE  63           HE2      PHE  63 -32.459 -13.123   6.075
  469    HZ   PHE  63           HZ       PHE  63 -34.403 -13.054   7.613
  470    H    ALA  64           H        ALA  64 -28.852  -8.144  10.359
  471    HA   ALA  64           HA       ALA  64 -31.024  -6.232  11.150
  472   1HB   ALA  64          3HB       ALA  64 -31.056  -7.159  13.286
  473   2HB   ALA  64          1HB       ALA  64 -30.696  -8.591  12.321
  474   3HB   ALA  64          2HB       ALA  64 -29.397  -7.746  13.164
  475    H    GLU  65           H        GLU  65 -30.049  -4.244  10.882
  476    HA   GLU  65           HA       GLU  65 -27.196  -3.802  11.155
  477   1HB   GLU  65          2HB       GLU  65 -28.731  -2.519   9.688
  478   2HB   GLU  65          1HB       GLU  65 -27.886  -1.453  10.810
  479   1HG   GLU  65          1HG       GLU  65 -30.435  -2.558  11.824
  480   2HG   GLU  65          2HG       GLU  65 -29.797  -0.919  11.935
  481    H    ASN  66           H        ASN  66 -27.206  -1.362  12.633
  482    HA   ASN  66           HA       ASN  66 -28.302  -1.821  15.306
  483   1HB   ASN  66          1HB       ASN  66 -26.388  -3.439  15.084
  484   2HB   ASN  66          2HB       ASN  66 -25.312  -2.064  14.839
  485   2HD2  ASN  66          2HD2      ASN  66 -24.786  -3.653  17.053
  486   1HD2  ASN  66          1HD2      ASN  66 -25.244  -2.854  18.479
  487    H    GLN  67           H        GLN  67 -28.970   0.408  14.396
  488    HA   GLN  67           HA       GLN  67 -27.116   2.534  14.007
  489   1HB   GLN  67          1HB       GLN  67 -29.123   3.933  14.437
  490   2HB   GLN  67          2HB       GLN  67 -29.503   2.564  13.391
  491   1HG   GLN  67          1HG       GLN  67 -30.017   1.386  15.726
  492   2HG   GLN  67          2HG       GLN  67 -30.282   3.053  16.236
  493   2HE2  GLN  67          2HE2      GLN  67 -32.569   3.159  16.282
  494   1HE2  GLN  67          1HE2      GLN  67 -33.557   2.815  14.945
  495    H    LYS  68           H        LYS  68 -25.629   3.183  15.515
  496    HA   LYS  68           HA       LYS  68 -26.564   3.616  18.319
  497   1HB   LYS  68          1HB       LYS  68 -25.496   1.426  18.237
  498   2HB   LYS  68          2HB       LYS  68 -24.112   2.096  17.375
  499   1HG   LYS  68          2HG       LYS  68 -23.723   3.605  19.372
  500   2HG   LYS  68          1HG       LYS  68 -23.474   1.890  19.690
  501   1HD   LYS  68          1HD       LYS  68 -26.196   3.068  20.143
  502   2HD   LYS  68          2HD       LYS  68 -25.423   1.703  20.948
  503   1HE   LYS  68          1HE       LYS  68 -23.722   3.746  21.628
  504   2HE   LYS  68          2HE       LYS  68 -25.286   4.583  21.597
  505   1HZ   LYS  68          1HZ       LYS  68 -24.739   1.997  22.968
  506   2HZ   LYS  68          2HZ       LYS  68 -24.876   3.498  23.747
  507   3HZ   LYS  68          3HZ       LYS  68 -26.222   2.825  22.958
  508    H    TYR  69           H        TYR  69 -23.898   4.078  15.979
  509    HA   TYR  69           HA       TYR  69 -23.777   6.929  16.425
  510   1HB   TYR  69          1HB       TYR  69 -22.911   6.079  18.590
  511   2HB   TYR  69          2HB       TYR  69 -21.656   5.191  17.728
  512    HD1  TYR  69           HD1      TYR  69 -22.910   8.559  18.614
  513    HD2  TYR  69           HD2      TYR  69 -19.746   6.318  16.768
  514    HE1  TYR  69           HE1      TYR  69 -21.490  10.592  18.584
  515    HE2  TYR  69           HE2      TYR  69 -18.325   8.350  16.736
  516    HH   TYR  69           HH       TYR  69 -18.234  10.547  17.133
  517    H    GLY  70           H        GLY  70 -22.228   7.917  14.995
  518   1HA   GLY  70          1HA       GLY  70 -20.859   5.999  13.149
  519   2HA   GLY  70          2HA       GLY  70 -21.641   7.472  12.574

  No H/Q in entry =         519
  Start of MODEL   12
    1    H1   MET   1          1H        MET   1 -16.078  -6.043   2.501
    2    H2   MET   1          2H        MET   1 -15.915  -4.528   1.752
    3    H3   MET   1          3H        MET   1 -16.250  -4.624   3.414
    4    HA   MET   1           HA       MET   1 -18.275  -4.047   2.278
    5   1HB   MET   1          1HB       MET   1 -17.152  -5.186   0.181
    6   2HB   MET   1          2HB       MET   1 -18.025  -6.615   0.734
    7   1HG   MET   1          1HG       MET   1 -20.104  -5.666   0.339
    8   2HG   MET   1          2HG       MET   1 -19.509  -4.020   0.558
    9   1HE   MET   1          1HE       MET   1 -19.772  -7.110  -1.468
   10   2HE   MET   1          2HE       MET   1 -19.216  -6.735  -3.097
   11   3HE   MET   1          3HE       MET   1 -18.046  -6.980  -1.794
   12    H    GLU   2           H        GLU   2 -17.546  -7.556   2.552
   13    HA   GLU   2           HA       GLU   2 -19.435  -7.698   4.858
   14   1HB   GLU   2          1HB       GLU   2 -20.439  -8.192   2.509
   15   2HB   GLU   2          2HB       GLU   2 -19.510  -9.690   2.593
   16   1HG   GLU   2          1HG       GLU   2 -20.619  -9.881   4.983
   17   2HG   GLU   2          2HG       GLU   2 -21.818  -8.791   4.286
   18    H    ILE   3           H        ILE   3 -17.570  -8.111   6.194
   19    HA   ILE   3           HA       ILE   3 -16.477 -10.875   5.893
   20    HB   ILE   3           HB       ILE   3 -14.219  -9.862   6.458
   21   1HG1  ILE   3          1HG1      ILE   3 -15.775  -7.307   5.944
   22   2HG1  ILE   3          2HG1      ILE   3 -14.958  -7.762   7.437
   23   1HG2  ILE   3          1HG2      ILE   3 -14.911 -10.469   4.138
   24   2HG2  ILE   3          2HG2      ILE   3 -15.529  -8.832   3.922
   25   3HG2  ILE   3          3HG2      ILE   3 -13.803  -9.097   4.172
   26   1HD1  ILE   3          1HD1      ILE   3 -12.875  -7.961   5.742
   27   2HD1  ILE   3          2HD1      ILE   3 -13.813  -6.740   4.885
   28   3HD1  ILE   3          3HD1      ILE   3 -13.295  -6.449   6.546
   29    H    ASP   4           H        ASP   4 -16.443 -11.928   7.862
   30    HA   ASP   4           HA       ASP   4 -15.976 -10.694  10.416
   31   1HB   ASP   4          1HB       ASP   4 -18.421 -10.023   9.353
   32   2HB   ASP   4          2HB       ASP   4 -18.833 -11.436  10.323
   33    H    GLU   5           H        GLU   5 -17.461 -13.312   8.604
   34    HA   GLU   5           HA       GLU   5 -17.714 -15.194  10.763
   35   1HB   GLU   5          1HB       GLU   5 -17.593 -15.277   7.759
   36   2HB   GLU   5          2HB       GLU   5 -17.609 -16.785   8.673
   37   1HG   GLU   5          1HG       GLU   5 -19.602 -15.249   9.877
   38   2HG   GLU   5          2HG       GLU   5 -19.789 -14.914   8.156
   39    H    GLY   6           H        GLY   6 -15.463 -14.556  11.674
   40   1HA   GLY   6          1HA       GLY   6 -13.214 -15.089  12.059
   41   2HA   GLY   6          2HA       GLY   6 -13.661 -16.693  11.497
   42    H    LYS   7           H        LYS   7 -14.031 -13.980   9.329
   43    HA   LYS   7           HA       LYS   7 -12.125 -15.184   7.451
   44   1HB   LYS   7          1HB       LYS   7 -14.370 -13.933   7.033
   45   2HB   LYS   7          2HB       LYS   7 -13.423 -12.462   7.258
   46   1HG   LYS   7          2HG       LYS   7 -11.957 -14.185   5.514
   47   2HG   LYS   7          1HG       LYS   7 -12.673 -12.619   5.142
   48   1HD   LYS   7          1HD       LYS   7 -13.472 -15.140   4.148
   49   2HD   LYS   7          2HD       LYS   7 -14.735 -14.642   5.273
   50   1HE   LYS   7          1HE       LYS   7 -13.842 -12.413   3.602
   51   2HE   LYS   7          2HE       LYS   7 -14.477 -13.761   2.639
   52   1HZ   LYS   7          1HZ       LYS   7 -15.839 -12.865   5.107
   53   2HZ   LYS   7          2HZ       LYS   7 -16.149 -12.099   3.623
   54   3HZ   LYS   7          3HZ       LYS   7 -16.477 -13.752   3.806
   55    H    TYR   8           H        TYR   8  -9.946 -14.694   7.445
   56    HA   TYR   8           HA       TYR   8  -9.086 -12.186   8.859
   57   1HB   TYR   8          1HB       TYR   8  -8.026 -14.982   8.643
   58   2HB   TYR   8          2HB       TYR   8  -6.885 -13.667   8.916
   59    HD1  TYR   8           HD1      TYR   8 -10.307 -14.605  10.134
   60    HD2  TYR   8           HD2      TYR   8  -6.341 -13.304  11.156
   61    HE1  TYR   8           HE1      TYR   8 -10.941 -14.590  12.528
   62    HE2  TYR   8           HE2      TYR   8  -6.973 -13.290  13.556
   63    HH   TYR   8           HH       TYR   8  -9.185 -13.049  14.874
   64    H    GLU   9           H        GLU   9  -7.260 -11.040   7.915
   65    HA   GLU   9           HA       GLU   9  -6.794 -11.667   5.017
   66   1HB   GLU   9          1HB       GLU   9  -6.892  -9.266   4.604
   67   2HB   GLU   9          2HB       GLU   9  -8.344  -9.744   5.478
   68   1HG   GLU   9          1HG       GLU   9  -7.770  -7.977   6.819
   69   2HG   GLU   9          2HG       GLU   9  -6.718  -9.176   7.569
   70    H    CYS  10           H        CYS  10  -4.635 -11.671   4.410
   71    HA   CYS  10           HA       CYS  10  -2.582 -11.482   6.479
   72   1HB   CYS  10          1HB       CYS  10  -2.803 -12.974   4.325
   73   2HB   CYS  10          2HB       CYS  10  -2.112 -11.579   3.518
   74    H    GLU  11           H        GLU  11  -1.965  -9.435   7.146
   75    HA   GLU  11           HA       GLU  11  -2.203  -7.075   5.476
   76   1HB   GLU  11          1HB       GLU  11  -1.483  -7.847   8.161
   77   2HB   GLU  11          2HB       GLU  11  -0.285  -6.716   7.535
   78   1HG   GLU  11          1HG       GLU  11  -2.592  -5.537   6.680
   79   2HG   GLU  11          2HG       GLU  11  -3.143  -6.281   8.180
   80    H    ALA  12           H        ALA  12   0.033  -9.660   5.547
   81    HA   ALA  12           HA       ALA  12   2.385  -8.128   4.700
   82   1HB   ALA  12          1HB       ALA  12   2.186 -10.321   6.086
   83   2HB   ALA  12          3HB       ALA  12   3.465 -10.216   4.876
   84   3HB   ALA  12          2HB       ALA  12   1.987 -11.110   4.522
   85    H    CYS  13           H        CYS  13   0.057 -10.394   3.110
   86    HA   CYS  13           HA       CYS  13   1.196  -9.428   0.511
   87   1HB   CYS  13          2HB       CYS  13   1.614 -11.832   1.285
   88   2HB   CYS  13          1HB       CYS  13   0.956 -11.637  -0.335
   89    H    GLY  14           H        GLY  14  -1.765 -10.200   2.282
   90   1HA   GLY  14          1HA       GLY  14  -3.737  -8.775   1.808
   91   2HA   GLY  14          2HA       GLY  14  -3.270  -8.801   0.108
   92    H    TYR  15           H        TYR  15  -3.003 -11.758   1.890
   93    HA   TYR  15           HA       TYR  15  -5.021 -13.020   0.168
   94   1HB   TYR  15          1HB       TYR  15  -2.921 -14.146   0.664
   95   2HB   TYR  15          2HB       TYR  15  -3.200 -13.988   2.398
   96    HD1  TYR  15           HD1      TYR  15  -4.886 -15.353   3.540
   97    HD2  TYR  15           HD2      TYR  15  -4.149 -15.784  -0.670
   98    HE1  TYR  15           HE1      TYR  15  -6.140 -17.491   3.540
   99    HE2  TYR  15           HE2      TYR  15  -5.402 -17.924  -0.670
  100    HH   TYR  15           HH       TYR  15  -7.182 -19.012   0.715
  101    H    ILE  16           H        ILE  16  -6.712 -14.465   1.251
  102    HA   ILE  16           HA       ILE  16  -7.694 -13.266   3.819
  103    HB   ILE  16           HB       ILE  16  -9.202 -13.928   1.273
  104   1HG1  ILE  16          1HG1      ILE  16  -7.902 -11.803   1.305
  105   2HG1  ILE  16          2HG1      ILE  16  -9.642 -11.526   1.211
  106   1HG2  ILE  16          1HG2      ILE  16 -10.100 -13.834   4.018
  107   2HG2  ILE  16          2HG2      ILE  16 -10.837 -12.520   3.101
  108   3HG2  ILE  16          3HG2      ILE  16 -11.032 -14.188   2.562
  109   1HD1  ILE  16          1HD1      ILE  16  -8.986 -11.686   3.969
  110   2HD1  ILE  16          2HD1      ILE  16  -7.783 -10.633   3.223
  111   3HD1  ILE  16          3HD1      ILE  16  -9.499 -10.260   3.069
  112    H    TYR  17           H        TYR  17  -7.732 -14.885   5.306
  113    HA   TYR  17           HA       TYR  17  -7.799 -17.708   4.524
  114   1HB   TYR  17          1HB       TYR  17  -6.417 -16.986   6.372
  115   2HB   TYR  17          2HB       TYR  17  -7.786 -16.200   7.154
  116    HD1  TYR  17           HD1      TYR  17  -6.571 -19.545   5.994
  117    HD2  TYR  17           HD2      TYR  17  -9.132 -17.384   8.684
  118    HE1  TYR  17           HE1      TYR  17  -7.134 -21.660   7.162
  119    HE2  TYR  17           HE2      TYR  17  -9.693 -19.500   9.850
  120    HH   TYR  17           HH       TYR  17  -9.703 -21.897   9.407
  121    H    GLU  18           H        GLU  18  -9.577 -19.029   4.544
  122    HA   GLU  18           HA       GLU  18 -12.182 -17.857   5.451
  123   1HB   GLU  18          1HB       GLU  18 -11.287 -19.684   3.242
  124   2HB   GLU  18          2HB       GLU  18 -12.945 -19.807   3.832
  125   1HG   GLU  18          1HG       GLU  18 -12.739 -17.116   3.588
  126   2HG   GLU  18          2HG       GLU  18 -11.631 -17.620   2.312
  127    HA   PRO  19           HA       PRO  19 -11.637 -21.143   8.496
  128   1HB   PRO  19          1HB       PRO  19 -13.749 -20.414  10.079
  129   2HB   PRO  19          2HB       PRO  19 -12.159 -19.645  10.152
  130   1HG   PRO  19          1HG       PRO  19 -14.658 -18.686   8.876
  131   2HG   PRO  19          2HG       PRO  19 -13.387 -17.778   9.696
  132   1HD   PRO  19          1HD       PRO  19 -13.663 -17.950   6.963
  133   2HD   PRO  19          2HD       PRO  19 -12.145 -17.570   7.800
  134    H    GLU  20           H        GLU  20 -15.052 -20.293   8.037
  135    HA   GLU  20           HA       GLU  20 -16.240 -22.781   8.240
  136   1HB   GLU  20          1HB       GLU  20 -16.780 -20.350   6.551
  137   2HB   GLU  20          2HB       GLU  20 -17.853 -21.747   6.458
  138   1HG   GLU  20          1HG       GLU  20 -17.171 -20.948   9.209
  139   2HG   GLU  20          2HG       GLU  20 -18.071 -19.725   8.313
  140    H    LYS  21           H        LYS  21 -14.310 -21.611   5.539
  141    HA   LYS  21           HA       LYS  21 -15.095 -23.927   3.860
  142   1HB   LYS  21          1HB       LYS  21 -14.441 -21.273   3.393
  143   2HB   LYS  21          2HB       LYS  21 -12.981 -22.135   2.907
  144   1HG   LYS  21          2HG       LYS  21 -15.182 -23.633   1.920
  145   2HG   LYS  21          1HG       LYS  21 -14.002 -22.714   0.985
  146   1HD   LYS  21          1HD       LYS  21 -16.139 -21.127   2.304
  147   2HD   LYS  21          2HD       LYS  21 -15.414 -20.931   0.708
  148   1HE   LYS  21          1HE       LYS  21 -16.776 -22.658  -0.232
  149   2HE   LYS  21          2HE       LYS  21 -17.270 -23.238   1.370
  150   1HZ   LYS  21          1HZ       LYS  21 -18.108 -20.867   1.710
  151   2HZ   LYS  21          2HZ       LYS  21 -17.982 -20.695   0.025
  152   3HZ   LYS  21          3HZ       LYS  21 -19.022 -21.863   0.686
  153    H    GLY  22           H        GLY  22 -12.259 -22.625   5.552
  154   1HA   GLY  22          1HA       GLY  22 -10.538 -24.011   6.507
  155   2HA   GLY  22          2HA       GLY  22 -11.061 -25.333   5.465
  156    H    ASP  23           H        ASP  23  -8.342 -24.283   5.819
  157    HA   ASP  23           HA       ASP  23  -7.691 -22.837   3.343
  158   1HB   ASP  23          1HB       ASP  23  -6.625 -22.996   5.855
  159   2HB   ASP  23          2HB       ASP  23  -5.579 -24.114   4.983
  160    H    LYS  24           H        LYS  24  -8.869 -24.906   2.313
  161    HA   LYS  24           HA       LYS  24  -7.823 -27.455   2.083
  162   1HB   LYS  24          1HB       LYS  24  -9.417 -25.614   0.534
  163   2HB   LYS  24          2HB       LYS  24  -8.411 -26.580  -0.546
  164   1HG   LYS  24          1HG       LYS  24 -10.143 -27.732   1.661
  165   2HG   LYS  24          2HG       LYS  24 -10.617 -27.655  -0.036
  166   1HD   LYS  24          1HD       LYS  24  -7.968 -28.877   0.598
  167   2HD   LYS  24          2HD       LYS  24  -9.410 -29.814   0.988
  168   1HE   LYS  24          1HE       LYS  24  -9.324 -28.520  -1.706
  169   2HE   LYS  24          2HE       LYS  24  -8.291 -29.940  -1.446
  170   1HZ   LYS  24          1HZ       LYS  24 -10.297 -31.004  -0.400
  171   2HZ   LYS  24          2HZ       LYS  24 -11.222 -29.714  -1.007
  172   3HZ   LYS  24          3HZ       LYS  24 -10.416 -30.754  -2.077
  173    H    PHE  25           H        PHE  25  -6.374 -24.494   0.855
  174    HA   PHE  25           HA       PHE  25  -4.449 -25.825  -0.888
  175   1HB   PHE  25          1HB       PHE  25  -4.554 -23.044   0.330
  176   2HB   PHE  25          2HB       PHE  25  -3.518 -23.531  -1.012
  177    HD1  PHE  25           HD1      PHE  25  -5.170 -25.164  -2.705
  178    HD2  PHE  25           HD2      PHE  25  -6.254 -21.659  -0.472
  179    HE1  PHE  25           HE1      PHE  25  -7.026 -24.727  -4.291
  180    HE2  PHE  25           HE2      PHE  25  -8.109 -21.221  -2.057
  181    HZ   PHE  25           HZ       PHE  25  -8.495 -22.755  -3.967
  182    H    ALA  26           H        ALA  26  -4.554 -24.848   2.492
  183    HA   ALA  26           HA       ALA  26  -1.651 -25.378   2.839
  184   1HB   ALA  26          3HB       ALA  26  -2.065 -23.605   4.196
  185   2HB   ALA  26          1HB       ALA  26  -3.805 -23.891   4.163
  186   3HB   ALA  26          2HB       ALA  26  -2.787 -24.777   5.299
  187    H    GLY  27           H        GLY  27  -4.796 -26.780   3.572
  188   1HA   GLY  27          1HA       GLY  27  -4.699 -29.308   3.781
  189   2HA   GLY  27          2HA       GLY  27  -3.388 -29.047   4.928
  190    H    ILE  28           H        ILE  28  -5.825 -26.664   5.200
  191    HA   ILE  28           HA       ILE  28  -6.818 -27.998   7.675
  192    HB   ILE  28           HB       ILE  28  -6.818 -25.136   6.670
  193   1HG1  ILE  28          1HG1      ILE  28  -5.483 -25.748   9.193
  194   2HG1  ILE  28          2HG1      ILE  28  -4.804 -26.662   7.846
  195   1HG2  ILE  28          1HG2      ILE  28  -7.893 -26.361   9.225
  196   2HG2  ILE  28          2HG2      ILE  28  -7.566 -24.637   9.042
  197   3HG2  ILE  28          3HG2      ILE  28  -8.784 -25.415   8.032
  198   1HD1  ILE  28          1HD1      ILE  28  -5.337 -23.701   7.612
  199   2HD1  ILE  28          2HD1      ILE  28  -3.833 -24.304   8.307
  200   3HD1  ILE  28          3HD1      ILE  28  -4.257 -24.702   6.642
  201    HA   PRO  29           HA       PRO  29 -10.598 -28.618   5.338
  202   1HB   PRO  29          1HB       PRO  29 -12.047 -29.743   7.374
  203   2HB   PRO  29          2HB       PRO  29 -10.834 -30.638   6.440
  204   1HG   PRO  29          2HG       PRO  29  -9.972 -30.932   8.555
  205   2HG   PRO  29          1HG       PRO  29 -10.619 -29.394   9.141
  206   1HD   PRO  29          1HD       PRO  29  -8.469 -28.673   8.835
  207   2HD   PRO  29          2HD       PRO  29  -8.110 -29.947   7.652
  208    HA   PRO  30           HA       PRO  30 -13.201 -25.270   6.540
  209   1HB   PRO  30          1HB       PRO  30 -15.746 -26.249   6.345
  210   2HB   PRO  30          2HB       PRO  30 -14.739 -25.893   4.928
  211   1HG   PRO  30          1HG       PRO  30 -15.279 -28.500   6.271
  212   2HG   PRO  30          2HG       PRO  30 -15.211 -28.123   4.544
  213   1HD   PRO  30          1HD       PRO  30 -13.164 -29.312   5.864
  214   2HD   PRO  30          2HD       PRO  30 -12.905 -28.222   4.486
  215    H    GLY  31           H        GLY  31 -15.576 -25.149   7.939
  216   1HA   GLY  31          1HA       GLY  31 -16.311 -25.006  10.170
  217   2HA   GLY  31          2HA       GLY  31 -15.945 -26.730  10.217
  218    H    THR  32           H        THR  32 -13.430 -24.382   9.579
  219    HA   THR  32           HA       THR  32 -12.365 -24.822  12.349
  220    HB   THR  32           HB       THR  32 -10.743 -24.621   9.802
  221    HG1  THR  32           HG1      THR  32 -11.621 -26.961  11.140
  222   1HG2  THR  32          1HG2      THR  32  -9.602 -24.234  11.982
  223   2HG2  THR  32          2HG2      THR  32 -10.135 -25.828  12.515
  224   3HG2  THR  32          3HG2      THR  32  -9.015 -25.680  11.161
  225    HA   PRO  33           HA       PRO  33 -12.402 -20.331  11.951
  226   1HB   PRO  33          1HB       PRO  33 -11.790 -19.800  14.564
  227   2HB   PRO  33          2HB       PRO  33 -13.423 -20.232  14.022
  228   1HG   PRO  33          2HG       PRO  33 -13.104 -21.902  15.569
  229   2HG   PRO  33          1HG       PRO  33 -11.350 -21.913  15.343
  230   1HD   PRO  33          1HD       PRO  33 -11.762 -23.766  14.076
  231   2HD   PRO  33          2HD       PRO  33 -13.460 -23.320  13.812
  232    H    PHE  34           H        PHE  34 -10.716 -18.761  11.848
  233    HA   PHE  34           HA       PHE  34  -8.090 -19.599  11.279
  234   1HB   PHE  34          1HB       PHE  34  -8.944 -17.459  10.588
  235   2HB   PHE  34          2HB       PHE  34  -9.281 -16.985  12.243
  236    HD1  PHE  34           HD1      PHE  34  -7.357 -16.624  13.842
  237    HD2  PHE  34           HD2      PHE  34  -6.790 -17.124   9.614
  238    HE1  PHE  34           HE1      PHE  34  -5.086 -15.650  14.033
  239    HE2  PHE  34           HE2      PHE  34  -4.516 -16.149   9.805
  240    HZ   PHE  34           HZ       PHE  34  -3.666 -15.413  12.016
  241    H    VAL  35           H        VAL  35  -9.575 -18.810  14.372
  242    HA   VAL  35           HA       VAL  35  -7.167 -18.525  15.916
  243    HB   VAL  35           HB       VAL  35  -8.764 -18.894  17.798
  244   1HG1  VAL  35          1HG1      VAL  35  -9.546 -17.123  15.483
  245   2HG1  VAL  35          2HG1      VAL  35 -10.456 -17.109  16.993
  246   3HG1  VAL  35          3HG1      VAL  35  -8.748 -16.669  16.988
  247   1HG2  VAL  35          1HG2      VAL  35 -10.176 -20.309  15.722
  248   2HG2  VAL  35          2HG2      VAL  35 -10.521 -20.256  17.450
  249   3HG2  VAL  35          3HG2      VAL  35 -11.207 -19.038  16.376
  250    H    ASP  36           H        ASP  36  -8.624 -21.291  14.477
  251    HA   ASP  36           HA       ASP  36  -7.417 -23.166  16.445
  252   1HB   ASP  36          1HB       ASP  36  -9.584 -23.134  14.466
  253   2HB   ASP  36          2HB       ASP  36  -8.630 -24.617  14.417
  254    H    LEU  37           H        LEU  37  -6.451 -21.578  13.619
  255    HA   LEU  37           HA       LEU  37  -5.199 -23.529  12.026
  256   1HB   LEU  37          1HB       LEU  37  -4.533 -20.687  12.803
  257   2HB   LEU  37          2HB       LEU  37  -3.536 -21.569  11.647
  258    HG   LEU  37           HG       LEU  37  -6.521 -21.072  11.401
  259   1HD1  LEU  37          1HD1      LEU  37  -4.731 -19.188  10.993
  260   2HD1  LEU  37          2HD1      LEU  37  -4.407 -20.083   9.508
  261   3HD1  LEU  37          3HD1      LEU  37  -6.018 -19.433   9.813
  262   1HD2  LEU  37          1HD2      LEU  37  -4.566 -22.769   9.904
  263   2HD2  LEU  37          2HD2      LEU  37  -6.272 -23.061  10.246
  264   3HD2  LEU  37          3HD2      LEU  37  -5.808 -21.928   8.976
  265    H    SER  38           H        SER  38  -2.807 -24.032  11.961
  266    HA   SER  38           HA       SER  38  -1.891 -25.252  14.359
  267   1HB   SER  38          1HB       SER  38  -0.753 -24.472  11.699
  268   2HB   SER  38          2HB       SER  38   0.354 -25.045  12.945
  269    HG   SER  38           HG       SER  38  -1.223 -26.475  11.385
  270    H    ASP  39           H        ASP  39   0.084 -24.646  15.603
  271    HA   ASP  39           HA       ASP  39  -0.021 -21.984  16.646
  272   1HB   ASP  39          1HB       ASP  39   1.401 -24.481  17.024
  273   2HB   ASP  39          2HB       ASP  39   2.507 -23.118  17.184
  274    H    SER  40           H        SER  40   1.818 -23.419  14.017
  275    HA   SER  40           HA       SER  40   3.123 -20.755  13.551
  276   1HB   SER  40          1HB       SER  40   4.226 -23.343  14.074
  277   2HB   SER  40          2HB       SER  40   4.614 -22.915  12.406
  278    HG   SER  40           HG       SER  40   6.089 -22.151  14.109
  279    H    PHE  41           H        PHE  41   0.629 -21.378  12.408
  280    HA   PHE  41           HA       PHE  41   0.725 -22.675   9.866
  281   1HB   PHE  41          1HB       PHE  41  -1.374 -22.256  10.887
  282   2HB   PHE  41          2HB       PHE  41  -0.998 -20.568  11.179
  283    HD1  PHE  41           HD1      PHE  41  -1.968 -23.050   8.609
  284    HD2  PHE  41           HD2      PHE  41  -1.254 -18.896   9.449
  285    HE1  PHE  41           HE1      PHE  41  -3.032 -22.431   6.455
  286    HE2  PHE  41           HE2      PHE  41  -2.320 -18.279   7.296
  287    HZ   PHE  41           HZ       PHE  41  -3.207 -20.045   5.798
  288    H    MET  42           H        MET  42   1.288 -21.907   7.827
  289    HA   MET  42           HA       MET  42   2.471 -19.152   7.714
  290   1HB   MET  42          1HB       MET  42   3.012 -21.529   5.906
  291   2HB   MET  42          2HB       MET  42   3.961 -20.052   6.039
  292   1HG   MET  42          1HG       MET  42   4.621 -20.619   8.313
  293   2HG   MET  42          2HG       MET  42   3.569 -22.033   8.301
  294   1HE   MET  42          1HE       MET  42   5.945 -22.207   9.316
  295   2HE   MET  42          2HE       MET  42   6.400 -23.790   8.692
  296   3HE   MET  42          3HE       MET  42   7.445 -22.402   8.399
  297    H    CYS  43           H        CYS  43   1.950 -17.875   5.845
  298    HA   CYS  43           HA       CYS  43  -0.719 -18.139   4.835
  299   1HB   CYS  43          1HB       CYS  43   0.712 -16.070   5.102
  300   2HB   CYS  43          2HB       CYS  43   1.614 -16.592   3.681
  301    HA   PRO  44           HA       PRO  44   0.206 -21.009   1.556
  302   1HB   PRO  44          1HB       PRO  44  -2.209 -20.897   0.277
  303   2HB   PRO  44          2HB       PRO  44  -1.957 -21.789   1.789
  304   1HG   PRO  44          2HG       PRO  44  -3.631 -20.397   2.500
  305   2HG   PRO  44          1HG       PRO  44  -3.213 -19.134   1.334
  306   1HD   PRO  44          1HD       PRO  44  -2.214 -18.107   3.100
  307   2HD   PRO  44          2HD       PRO  44  -2.165 -19.604   4.052
  308    H    ALA  45           H        ALA  45  -0.127 -17.681   1.277
  309    HA   ALA  45           HA       ALA  45   0.282 -17.763  -1.686
  310   1HB   ALA  45          2HB       ALA  45  -0.817 -15.548   0.068
  311   2HB   ALA  45          3HB       ALA  45  -0.770 -15.556  -1.694
  312   3HB   ALA  45          1HB       ALA  45  -1.811 -16.691  -0.834
  313    H    CYS  46           H        CYS  46   1.303 -16.203   1.356
  314    HA   CYS  46           HA       CYS  46   3.790 -15.360  -0.077
  315   1HB   CYS  46          1HB       CYS  46   3.649 -13.258   0.920
  316   2HB   CYS  46          2HB       CYS  46   1.952 -13.644   0.675
  317    H    ARG  47           H        ARG  47   2.793 -17.616   2.002
  318    HA   ARG  47           HA       ARG  47   3.850 -18.922   3.654
  319   1HB   ARG  47          1HB       ARG  47   6.032 -17.568   2.095
  320   2HB   ARG  47          2HB       ARG  47   6.445 -18.629   3.442
  321   1HG   ARG  47          1HG       ARG  47   5.169 -20.460   2.413
  322   2HG   ARG  47          2HG       ARG  47   4.700 -19.402   1.083
  323   1HD   ARG  47          1HD       ARG  47   6.847 -19.397   0.157
  324   2HD   ARG  47          2HD       ARG  47   7.623 -19.758   1.711
  325    HE   ARG  47           HE       ARG  47   6.604 -22.061   1.519
  326   1HH1  ARG  47          1HH1      ARG  47   5.478 -20.398  -1.121
  327   2HH1  ARG  47          2HH1      ARG  47   6.030 -21.526  -2.313
  328   1HH2  ARG  47          1HH2      ARG  47   7.925 -23.375  -0.071
  329   2HH2  ARG  47          2HH2      ARG  47   7.415 -23.213  -1.719
  330    H    SER  48           H        SER  48   3.277 -15.853   4.292
  331    HA   SER  48           HA       SER  48   5.320 -15.152   6.239
  332   1HB   SER  48          1HB       SER  48   2.543 -14.223   5.530
  333   2HB   SER  48          2HB       SER  48   3.345 -13.587   6.964
  334    HG   SER  48           HG       SER  48   3.912 -12.254   5.319
  335    HA   PRO  49           HA       PRO  49   3.905 -17.416   9.729
  336   1HB   PRO  49          1HB       PRO  49   4.115 -15.611  11.779
  337   2HB   PRO  49          2HB       PRO  49   5.521 -16.373  11.010
  338   1HG   PRO  49          2HG       PRO  49   6.057 -14.163  10.654
  339   2HG   PRO  49          1HG       PRO  49   4.362 -13.658  10.593
  340   1HD   PRO  49          1HD       PRO  49   4.710 -13.654   8.333
  341   2HD   PRO  49          2HD       PRO  49   6.079 -14.780   8.447
  342    H    LYS  50           H        LYS  50   1.917 -17.897  10.685
  343    HA   LYS  50           HA       LYS  50  -0.480 -16.684   9.931
  344   1HB   LYS  50          1HB       LYS  50  -0.140 -18.896  11.039
  345   2HB   LYS  50          2HB       LYS  50   0.175 -18.057  12.557
  346   1HG   LYS  50          1HG       LYS  50  -2.110 -16.953  12.261
  347   2HG   LYS  50          2HG       LYS  50  -2.402 -18.126  10.977
  348   1HD   LYS  50          1HD       LYS  50  -2.806 -19.775  12.467
  349   2HD   LYS  50          2HD       LYS  50  -1.341 -19.400  13.373
  350   1HE   LYS  50          1HE       LYS  50  -3.811 -17.670  13.601
  351   2HE   LYS  50          2HE       LYS  50  -3.570 -19.092  14.632
  352   1HZ   LYS  50          1HZ       LYS  50  -1.243 -18.131  14.988
  353   2HZ   LYS  50          2HZ       LYS  50  -1.877 -16.675  14.387
  354   3HZ   LYS  50          3HZ       LYS  50  -2.528 -17.366  15.793
  355    H    ASN  51           H        ASN  51   1.730 -15.659  12.466
  356    HA   ASN  51           HA       ASN  51  -0.080 -13.994  13.936
  357   1HB   ASN  51          1HB       ASN  51   2.238 -14.765  14.579
  358   2HB   ASN  51          2HB       ASN  51   2.886 -13.603  13.420
  359   2HD2  ASN  51          2HD2      ASN  51   3.884 -12.315  15.143
  360   1HD2  ASN  51          1HD2      ASN  51   2.942 -11.365  16.188
  361    H    GLN  52           H        GLN  52   1.213 -13.690  10.760
  362    HA   GLN  52           HA       GLN  52   1.050 -10.759  10.651
  363   1HB   GLN  52          1HB       GLN  52   2.189 -12.921   9.180
  364   2HB   GLN  52          2HB       GLN  52   1.110 -12.056   8.089
  365   1HG   GLN  52          2HG       GLN  52   3.368 -11.078   8.025
  366   2HG   GLN  52          1HG       GLN  52   3.312 -10.813   9.767
  367   2HE2  GLN  52          2HE2      GLN  52   0.669 -10.301   7.392
  368   1HE2  GLN  52          1HE2      GLN  52   0.517  -8.640   7.690
  369    H    PHE  53           H        PHE  53  -1.237 -13.252  10.636
  370    HA   PHE  53           HA       PHE  53  -3.027 -12.075   8.607
  371   1HB   PHE  53          1HB       PHE  53  -3.017 -14.403  10.505
  372   2HB   PHE  53          2HB       PHE  53  -4.536 -13.901   9.771
  373    HD1  PHE  53           HD1      PHE  53  -0.976 -14.615   8.817
  374    HD2  PHE  53           HD2      PHE  53  -5.119 -14.768   7.695
  375    HE1  PHE  53           HE1      PHE  53  -0.366 -15.803   6.727
  376    HE2  PHE  53           HE2      PHE  53  -4.510 -15.958   5.607
  377    HZ   PHE  53           HZ       PHE  53  -2.135 -16.476   5.123
  378    H    LYS  54           H        LYS  54  -4.602 -10.576   9.070
  379    HA   LYS  54           HA       LYS  54  -5.192 -10.031  11.960
  380   1HB   LYS  54          1HB       LYS  54  -3.963  -8.368  10.263
  381   2HB   LYS  54          2HB       LYS  54  -5.625  -8.012   9.792
  382   1HG   LYS  54          1HG       LYS  54  -4.609  -7.940  12.649
  383   2HG   LYS  54          2HG       LYS  54  -4.771  -6.518  11.618
  384   1HD   LYS  54          1HD       LYS  54  -7.239  -7.656  11.328
  385   2HD   LYS  54          2HD       LYS  54  -6.859  -8.098  12.992
  386   1HE   LYS  54          1HE       LYS  54  -6.876  -5.900  13.716
  387   2HE   LYS  54          2HE       LYS  54  -6.300  -5.277  12.159
  388   1HZ   LYS  54          1HZ       LYS  54  -8.502  -6.118  11.250
  389   2HZ   LYS  54          2HZ       LYS  54  -9.013  -6.247  12.865
  390   3HZ   LYS  54          3HZ       LYS  54  -8.574  -4.734  12.229
  391    H    SER  55           H        SER  55  -7.334 -10.265  12.536
  392    HA   SER  55           HA       SER  55  -9.251 -11.408  10.775
  393   1HB   SER  55          1HB       SER  55 -10.818 -10.896  12.620
  394   2HB   SER  55          2HB       SER  55  -9.305 -11.548  13.221
  395    HG   SER  55           HG       SER  55  -9.368  -9.818  14.418
  396    H    ILE  56           H        ILE  56 -11.480 -10.296  10.548
  397    HA   ILE  56           HA       ILE  56 -11.450  -7.400  10.034
  398    HB   ILE  56           HB       ILE  56 -12.073  -7.864   7.570
  399   1HG1  ILE  56          1HG1      ILE  56 -10.596 -10.451   8.087
  400   2HG1  ILE  56          2HG1      ILE  56 -12.356 -10.365   8.025
  401   1HG2  ILE  56          1HG2      ILE  56  -9.837  -7.003   8.505
  402   2HG2  ILE  56          2HG2      ILE  56  -9.244  -8.648   8.269
  403   3HG2  ILE  56          3HG2      ILE  56  -9.811  -7.706   6.888
  404   1HD1  ILE  56          1HD1      ILE  56 -10.898  -9.067   5.784
  405   2HD1  ILE  56          2HD1      ILE  56 -10.827 -10.829   5.841
  406   3HD1  ILE  56          3HD1      ILE  56 -12.387 -10.012   5.759
  407    H    LYS  57           H        LYS  57 -13.280  -7.403  11.441
  408    HA   LYS  57           HA       LYS  57 -15.710  -8.845  10.430
  409   1HB   LYS  57          1HB       LYS  57 -16.435  -8.610  12.827
  410   2HB   LYS  57          2HB       LYS  57 -14.946  -9.536  12.644
  411   1HG   LYS  57          1HG       LYS  57 -13.720  -7.983  13.756
  412   2HG   LYS  57          2HG       LYS  57 -14.498  -6.644  12.913
  413   1HD   LYS  57          1HD       LYS  57 -16.569  -7.355  14.421
  414   2HD   LYS  57          2HD       LYS  57 -15.298  -8.010  15.453
  415   1HE   LYS  57          1HE       LYS  57 -14.377  -5.898  15.876
  416   2HE   LYS  57          2HE       LYS  57 -15.043  -5.202  14.386
  417   1HZ   LYS  57          1HZ       LYS  57 -17.294  -5.700  15.369
  418   2HZ   LYS  57          2HZ       LYS  57 -16.510  -6.002  16.843
  419   3HZ   LYS  57          3HZ       LYS  57 -16.429  -4.457  16.140
  420    H    LYS  58           H        LYS  58 -15.733  -6.808   8.933
  421    HA   LYS  58           HA       LYS  58 -17.222  -4.619  10.346
  422   1HB   LYS  58          1HB       LYS  58 -14.728  -4.404   9.319
  423   2HB   LYS  58          2HB       LYS  58 -15.671  -4.028   7.876
  424   1HG   LYS  58          1HG       LYS  58 -16.739  -2.184   8.927
  425   2HG   LYS  58          2HG       LYS  58 -16.232  -2.703  10.534
  426   1HD   LYS  58          2HD       LYS  58 -13.808  -2.434   9.521
  427   2HD   LYS  58          1HD       LYS  58 -14.682  -1.017  10.104
  428   1HE   LYS  58          1HE       LYS  58 -14.507  -1.965   7.220
  429   2HE   LYS  58          2HE       LYS  58 -15.494  -0.599   7.776
  430   1HZ   LYS  58          1HZ       LYS  58 -13.446   0.325   8.794
  431   2HZ   LYS  58          2HZ       LYS  58 -12.548  -0.916   8.058
  432   3HZ   LYS  58          3HZ       LYS  58 -13.358   0.232   7.102
  433    H    VAL  59           H        VAL  59 -19.092  -6.072   9.616
  434    HA   VAL  59           HA       VAL  59 -19.640  -6.203   6.734
  435    HB   VAL  59           HB       VAL  59 -21.277  -6.853   9.208
  436   1HG1  VAL  59          1HG1      VAL  59 -21.692  -7.366   6.260
  437   2HG1  VAL  59          2HG1      VAL  59 -22.456  -8.372   7.491
  438   3HG1  VAL  59          3HG1      VAL  59 -22.817  -6.648   7.413
  439   1HG2  VAL  59          1HG2      VAL  59 -19.001  -8.114   8.033
  440   2HG2  VAL  59          2HG2      VAL  59 -19.991  -8.692   9.374
  441   3HG2  VAL  59          3HG2      VAL  59 -20.403  -9.136   7.717
  442    H    ILE  60           H        ILE  60 -20.490  -4.471   5.655
  443    HA   ILE  60           HA       ILE  60 -22.672  -2.893   6.864
  444    HB   ILE  60           HB       ILE  60 -20.660  -1.829   7.753
  445   1HG1  ILE  60          1HG1      ILE  60 -21.067   0.175   5.697
  446   2HG1  ILE  60          2HG1      ILE  60 -22.604  -0.552   6.166
  447   1HG2  ILE  60          1HG2      ILE  60 -19.736  -2.281   4.974
  448   2HG2  ILE  60          2HG2      ILE  60 -19.257  -0.741   5.687
  449   3HG2  ILE  60          3HG2      ILE  60 -18.813  -2.255   6.477
  450   1HD1  ILE  60          1HD1      ILE  60 -21.890  -0.187   8.586
  451   2HD1  ILE  60          2HD1      ILE  60 -20.572   0.802   7.955
  452   3HD1  ILE  60          3HD1      ILE  60 -22.247   1.277   7.670
  453    H    ALA  61           H        ALA  61 -23.403  -4.232   4.820
  454    HA   ALA  61           HA       ALA  61 -22.571  -3.324   2.201
  455   1HB   ALA  61          3HB       ALA  61 -23.563  -5.386   2.071
  456   2HB   ALA  61          1HB       ALA  61 -24.619  -5.071   3.448
  457   3HB   ALA  61          2HB       ALA  61 -25.032  -4.435   1.855
  458    H    GLY  62           H        GLY  62 -24.248  -2.300   0.675
  459   1HA   GLY  62          1HA       GLY  62 -26.482  -0.911   1.024
  460   2HA   GLY  62          2HA       GLY  62 -25.417   0.063   2.037
  461    H    PHE  63           H        PHE  63 -23.134  -0.621   0.131
  462    HA   PHE  63           HA       PHE  63 -23.442   1.701  -1.599
  463   1HB   PHE  63          1HB       PHE  63 -21.375   0.481  -0.423
  464   2HB   PHE  63          2HB       PHE  63 -21.313  -0.370  -1.967
  465    HD1  PHE  63           HD1      PHE  63 -21.751   3.123  -0.657
  466    HD2  PHE  63           HD2      PHE  63 -20.060   0.586  -3.682
  467    HE1  PHE  63           HE1      PHE  63 -20.661   5.091  -1.698
  468    HE2  PHE  63           HE2      PHE  63 -18.969   2.554  -4.724
  469    HZ   PHE  63           HZ       PHE  63 -19.270   4.807  -3.733
  470    H    ALA  64           H        ALA  64 -22.679   1.267  -4.033
  471    HA   ALA  64           HA       ALA  64 -24.242  -1.058  -5.109
  472   1HB   ALA  64          3HB       ALA  64 -25.611   0.458  -6.071
  473   2HB   ALA  64          2HB       ALA  64 -24.233   1.170  -6.911
  474   3HB   ALA  64          1HB       ALA  64 -24.691   1.759  -5.313
  475    H    GLU  65           H        GLU  65 -23.440  -1.867  -7.170
  476    HA   GLU  65           HA       GLU  65 -20.522  -1.461  -7.507
  477   1HB   GLU  65          1HB       GLU  65 -21.687  -3.706  -7.347
  478   2HB   GLU  65          2HB       GLU  65 -22.435  -3.356  -8.905
  479   1HG   GLU  65          1HG       GLU  65 -20.577  -4.404  -9.726
  480   2HG   GLU  65          2HG       GLU  65 -19.836  -2.822  -9.488
  481    H    ASN  66           H        ASN  66 -19.607  -0.752  -9.497
  482    HA   ASN  66           HA       ASN  66 -21.486   0.752 -11.262
  483   1HB   ASN  66          1HB       ASN  66 -18.914   1.194 -10.069
  484   2HB   ASN  66          2HB       ASN  66 -18.734   1.254 -11.823
  485   2HD2  ASN  66          2HD2      ASN  66 -19.375   3.226  -9.231
  486   1HD2  ASN  66          1HD2      ASN  66 -20.311   4.415 -10.002
  487    H    GLN  67           H        GLN  67 -18.377  -0.981 -11.746
  488    HA   GLN  67           HA       GLN  67 -19.610  -2.385 -14.080
  489   1HB   GLN  67          1HB       GLN  67 -17.034  -0.780 -14.019
  490   2HB   GLN  67          2HB       GLN  67 -17.567  -1.763 -15.382
  491   1HG   GLN  67          1HG       GLN  67 -19.646  -0.405 -15.518
  492   2HG   GLN  67          2HG       GLN  67 -19.053   0.603 -14.199
  493   2HE2  GLN  67          2HE2      GLN  67 -19.403   0.809 -17.408
  494   1HE2  GLN  67          1HE2      GLN  67 -18.000   1.664 -17.837
  495    H    LYS  68           H        LYS  68 -16.585  -2.078 -12.169
  496    HA   LYS  68           HA       LYS  68 -16.596  -4.941 -11.553
  497   1HB   LYS  68          1HB       LYS  68 -15.124  -3.768 -13.839
  498   2HB   LYS  68          2HB       LYS  68 -14.175  -4.848 -12.818
  499   1HG   LYS  68          1HG       LYS  68 -16.710  -6.076 -13.179
  500   2HG   LYS  68          2HG       LYS  68 -16.180  -5.525 -14.769
  501   1HD   LYS  68          1HD       LYS  68 -14.633  -7.161 -14.881
  502   2HD   LYS  68          2HD       LYS  68 -13.964  -6.699 -13.317
  503   1HE   LYS  68          1HE       LYS  68 -16.568  -8.189 -13.353
  504   2HE   LYS  68          2HE       LYS  68 -15.066  -9.092 -13.631
  505   1HZ   LYS  68          1HZ       LYS  68 -14.182  -7.774 -11.652
  506   2HZ   LYS  68          2HZ       LYS  68 -15.804  -7.405 -11.309
  507   3HZ   LYS  68          3HZ       LYS  68 -15.280  -9.020 -11.311
  508    H    TYR  69           H        TYR  69 -15.089  -5.413  -9.883
  509    HA   TYR  69           HA       TYR  69 -14.275  -3.321  -8.152
  510   1HB   TYR  69          1HB       TYR  69 -13.343  -6.176  -8.554
  511   2HB   TYR  69          2HB       TYR  69 -12.841  -5.187  -7.183
  512    HD1  TYR  69           HD1      TYR  69 -15.155  -3.715  -6.373
  513    HD2  TYR  69           HD2      TYR  69 -14.938  -7.736  -7.869
  514    HE1  TYR  69           HE1      TYR  69 -17.270  -4.265  -5.202
  515    HE2  TYR  69           HE2      TYR  69 -17.053  -8.287  -6.696
  516    HH   TYR  69           HH       TYR  69 -18.895  -7.341  -5.692
  517    H    GLY  70           H        GLY  70 -13.036  -1.710  -9.227
  518   1HA   GLY  70          1HA       GLY  70 -10.214  -2.403  -9.648
  519   2HA   GLY  70          2HA       GLY  70 -11.057  -1.841 -11.093

  No H/Q in entry =         519
  Start of MODEL   13
    1    H1   MET   1          1H        MET   1 -20.504  -6.360   1.007
    2    H2   MET   1          2H        MET   1 -20.295  -6.852  -0.602
    3    H3   MET   1          3H        MET   1 -20.922  -7.939   0.543
    4    HA   MET   1           HA       MET   1 -18.699  -8.604   0.307
    5   1HB   MET   1          1HB       MET   1 -18.439  -5.646  -0.014
    6   2HB   MET   1          2HB       MET   1 -17.033  -6.517   0.599
    7   1HG   MET   1          1HG       MET   1 -17.769  -8.150  -1.448
    8   2HG   MET   1          2HG       MET   1 -18.276  -6.587  -2.089
    9   1HE   MET   1          1HE       MET   1 -15.879  -8.670  -0.434
   10   2HE   MET   1          2HE       MET   1 -14.350  -8.448  -1.296
   11   3HE   MET   1          3HE       MET   1 -14.705  -7.487   0.138
   12    H    GLU   2           H        GLU   2 -20.358  -8.572   2.561
   13    HA   GLU   2           HA       GLU   2 -19.074  -7.232   4.814
   14   1HB   GLU   2          1HB       GLU   2 -20.744  -8.575   6.087
   15   2HB   GLU   2          2HB       GLU   2 -21.480  -7.739   4.719
   16   1HG   GLU   2          1HG       GLU   2 -22.268  -9.749   4.059
   17   2HG   GLU   2          2HG       GLU   2 -20.604 -10.171   3.653
   18    H    ILE   3           H        ILE   3 -17.743  -8.211   6.399
   19    HA   ILE   3           HA       ILE   3 -16.927 -11.047   6.005
   20    HB   ILE   3           HB       ILE   3 -14.522 -10.240   6.071
   21   1HG1  ILE   3          1HG1      ILE   3 -15.878  -7.562   5.615
   22   2HG1  ILE   3          2HG1      ILE   3 -14.945  -8.018   7.039
   23   1HG2  ILE   3          1HG2      ILE   3 -16.131 -10.652   3.965
   24   2HG2  ILE   3          2HG2      ILE   3 -15.784  -8.943   3.700
   25   3HG2  ILE   3          3HG2      ILE   3 -14.464 -10.110   3.771
   26   1HD1  ILE   3          1HD1      ILE   3 -13.372  -8.556   4.699
   27   2HD1  ILE   3          2HD1      ILE   3 -13.980  -6.903   4.603
   28   3HD1  ILE   3          3HD1      ILE   3 -13.040  -7.416   6.004
   29    H    ASP   4           H        ASP   4 -16.676 -12.016   7.987
   30    HA   ASP   4           HA       ASP   4 -15.532 -10.750  10.307
   31   1HB   ASP   4          1HB       ASP   4 -17.584  -9.427  10.204
   32   2HB   ASP   4          2HB       ASP   4 -18.557 -10.890  10.111
   33    H    GLU   5           H        GLU   5 -17.499 -13.331   8.948
   34    HA   GLU   5           HA       GLU   5 -17.620 -15.056  11.228
   35   1HB   GLU   5          1HB       GLU   5 -18.801 -15.062   8.889
   36   2HB   GLU   5          2HB       GLU   5 -17.398 -15.997   8.374
   37   1HG   GLU   5          1HG       GLU   5 -17.863 -17.743   9.922
   38   2HG   GLU   5          2HG       GLU   5 -19.004 -16.744  10.823
   39    H    GLY   6           H        GLY   6 -15.300 -14.627  11.971
   40   1HA   GLY   6          1HA       GLY   6 -13.091 -15.356  12.245
   41   2HA   GLY   6          2HA       GLY   6 -13.642 -16.878  11.553
   42    H    LYS   7           H        LYS   7 -14.046 -14.021   9.620
   43    HA   LYS   7           HA       LYS   7 -12.224 -15.094   7.586
   44   1HB   LYS   7          1HB       LYS   7 -13.793 -12.501   7.799
   45   2HB   LYS   7          2HB       LYS   7 -13.060 -13.131   6.324
   46   1HG   LYS   7          1HG       LYS   7 -14.692 -15.163   7.585
   47   2HG   LYS   7          2HG       LYS   7 -15.639 -13.700   7.316
   48   1HD   LYS   7          1HD       LYS   7 -14.179 -13.956   4.967
   49   2HD   LYS   7          2HD       LYS   7 -14.592 -15.622   5.372
   50   1HE   LYS   7          1HE       LYS   7 -16.995 -14.757   5.748
   51   2HE   LYS   7          2HE       LYS   7 -16.466 -13.292   4.899
   52   1HZ   LYS   7          1HZ       LYS   7 -15.874 -15.978   3.813
   53   2HZ   LYS   7          2HZ       LYS   7 -17.376 -15.245   3.509
   54   3HZ   LYS   7          3HZ       LYS   7 -15.948 -14.492   2.992
   55    H    TYR   8           H        TYR   8 -10.029 -14.732   7.772
   56    HA   TYR   8           HA       TYR   8  -9.143 -12.191   9.103
   57   1HB   TYR   8          1HB       TYR   8  -8.084 -14.999   8.913
   58   2HB   TYR   8          2HB       TYR   8  -6.967 -13.675   9.239
   59    HD1  TYR   8           HD1      TYR   8 -10.444 -14.583  10.322
   60    HD2  TYR   8           HD2      TYR   8  -6.493 -13.395  11.505
   61    HE1  TYR   8           HE1      TYR   8 -11.169 -14.572  12.688
   62    HE2  TYR   8           HE2      TYR   8  -7.214 -13.389  13.881
   63    HH   TYR   8           HH       TYR   8  -8.956 -14.417  15.276
   64    H    GLU   9           H        GLU   9  -7.615 -10.888   8.044
   65    HA   GLU   9           HA       GLU   9  -7.029 -11.616   5.192
   66   1HB   GLU   9          1HB       GLU   9  -8.534  -9.605   5.944
   67   2HB   GLU   9          2HB       GLU   9  -7.000  -8.833   6.347
   68   1HG   GLU   9          1HG       GLU   9  -6.409  -9.780   3.878
   69   2HG   GLU   9          2HG       GLU   9  -8.141  -9.507   3.690
   70    H    CYS  10           H        CYS  10  -4.871 -11.667   4.597
   71    HA   CYS  10           HA       CYS  10  -2.812 -11.531   6.648
   72   1HB   CYS  10          1HB       CYS  10  -3.052 -12.937   4.444
   73   2HB   CYS  10          2HB       CYS  10  -2.351 -11.522   3.684
   74    H    GLU  11           H        GLU  11  -2.119  -9.539   7.391
   75    HA   GLU  11           HA       GLU  11  -2.351  -7.092   5.850
   76   1HB   GLU  11          1HB       GLU  11  -1.677  -7.984   8.481
   77   2HB   GLU  11          2HB       GLU  11  -0.368  -6.949   7.915
   78   1HG   GLU  11          1HG       GLU  11  -3.287  -6.171   7.711
   79   2HG   GLU  11          2HG       GLU  11  -2.270  -5.732   9.083
   80    H    ALA  12           H        ALA  12  -0.151  -9.711   5.763
   81    HA   ALA  12           HA       ALA  12   2.199  -8.159   4.946
   82   1HB   ALA  12          1HB       ALA  12   1.445 -11.057   5.272
   83   2HB   ALA  12          2HB       ALA  12   2.969 -10.609   4.504
   84   3HB   ALA  12          3HB       ALA  12   2.643 -10.121   6.166
   85    H    CYS  13           H        CYS  13  -0.221 -10.271   3.304
   86    HA   CYS  13           HA       CYS  13   0.914  -9.237   0.731
   87   1HB   CYS  13          2HB       CYS  13   1.352 -11.659   1.420
   88   2HB   CYS  13          1HB       CYS  13   0.682 -11.417  -0.189
   89    H    GLY  14           H        GLY  14  -2.035 -10.112   2.480
   90   1HA   GLY  14          1HA       GLY  14  -4.016  -8.670   2.074
   91   2HA   GLY  14          2HA       GLY  14  -3.559  -8.634   0.372
   92    H    TYR  15           H        TYR  15  -3.260 -11.640   2.058
   93    HA   TYR  15           HA       TYR  15  -5.275 -12.874   0.316
   94   1HB   TYR  15          1HB       TYR  15  -3.174 -14.002   0.726
   95   2HB   TYR  15          2HB       TYR  15  -3.375 -13.850   2.470
   96    HD1  TYR  15           HD1      TYR  15  -4.967 -15.251   3.689
   97    HD2  TYR  15           HD2      TYR  15  -4.448 -15.650  -0.557
   98    HE1  TYR  15           HE1      TYR  15  -6.176 -17.414   3.746
   99    HE2  TYR  15           HE2      TYR  15  -5.655 -17.815  -0.500
  100    HH   TYR  15           HH       TYR  15  -7.234 -19.002   0.886
  101    H    ILE  16           H        ILE  16  -7.016 -14.243   1.279
  102    HA   ILE  16           HA       ILE  16  -7.984 -13.156   3.905
  103    HB   ILE  16           HB       ILE  16  -9.340 -13.718   1.262
  104   1HG1  ILE  16          2HG1      ILE  16  -9.115 -11.366   3.146
  105   2HG1  ILE  16          1HG1      ILE  16 -10.295 -11.411   1.837
  106   1HG2  ILE  16          1HG2      ILE  16 -10.518 -13.788   4.013
  107   2HG2  ILE  16          2HG2      ILE  16 -11.450 -13.011   2.732
  108   3HG2  ILE  16          3HG2      ILE  16 -10.973 -14.703   2.575
  109   1HD1  ILE  16          1HD1      ILE  16  -7.971 -12.183   0.564
  110   2HD1  ILE  16          2HD1      ILE  16  -8.634 -10.549   0.556
  111   3HD1  ILE  16          3HD1      ILE  16  -7.389 -10.989   1.724
  112    H    TYR  17           H        TYR  17  -7.907 -14.801   5.394
  113    HA   TYR  17           HA       TYR  17  -7.923 -17.616   4.562
  114   1HB   TYR  17          1HB       TYR  17  -6.462 -16.883   6.355
  115   2HB   TYR  17          2HB       TYR  17  -7.818 -16.169   7.227
  116    HD1  TYR  17           HD1      TYR  17  -6.540 -19.429   5.904
  117    HD2  TYR  17           HD2      TYR  17  -9.057 -17.452   8.772
  118    HE1  TYR  17           HE1      TYR  17  -6.977 -21.601   7.020
  119    HE2  TYR  17           HE2      TYR  17  -9.493 -19.625   9.887
  120    HH   TYR  17           HH       TYR  17  -9.215 -22.399   8.679
  121    H    GLU  18           H        GLU  18  -9.733 -18.847   4.439
  122    HA   GLU  18           HA       GLU  18 -12.278 -17.790   5.599
  123   1HB   GLU  18          2HB       GLU  18 -13.298 -19.283   3.904
  124   2HB   GLU  18          1HB       GLU  18 -11.695 -19.863   3.456
  125   1HG   GLU  18          1HG       GLU  18 -12.859 -17.101   3.079
  126   2HG   GLU  18          2HG       GLU  18 -11.120 -17.387   3.018
  127    HA   PRO  19           HA       PRO  19 -11.482 -21.182   8.482
  128   1HB   PRO  19          1HB       PRO  19 -13.503 -20.537  10.216
  129   2HB   PRO  19          2HB       PRO  19 -11.918 -19.762  10.228
  130   1HG   PRO  19          1HG       PRO  19 -14.485 -18.775   9.118
  131   2HG   PRO  19          2HG       PRO  19 -13.194 -17.894   9.939
  132   1HD   PRO  19          1HD       PRO  19 -13.553 -17.892   7.222
  133   2HD   PRO  19          2HD       PRO  19 -11.990 -17.611   8.017
  134    H    GLU  20           H        GLU  20 -14.899 -20.284   8.119
  135    HA   GLU  20           HA       GLU  20 -16.106 -22.778   8.327
  136   1HB   GLU  20          1HB       GLU  20 -17.034 -20.379   7.936
  137   2HB   GLU  20          2HB       GLU  20 -16.925 -20.779   6.222
  138   1HG   GLU  20          1HG       GLU  20 -18.813 -22.002   6.348
  139   2HG   GLU  20          2HG       GLU  20 -18.133 -22.973   7.653
  140    H    LYS  21           H        LYS  21 -14.201 -21.557   5.640
  141    HA   LYS  21           HA       LYS  21 -14.999 -23.832   3.906
  142   1HB   LYS  21          1HB       LYS  21 -14.392 -21.179   3.475
  143   2HB   LYS  21          2HB       LYS  21 -12.882 -21.978   3.038
  144   1HG   LYS  21          1HG       LYS  21 -13.987 -23.369   1.424
  145   2HG   LYS  21          2HG       LYS  21 -15.580 -22.881   2.004
  146   1HD   LYS  21          1HD       LYS  21 -15.257 -21.581   0.052
  147   2HD   LYS  21          2HD       LYS  21 -14.861 -20.480   1.371
  148   1HE   LYS  21          1HE       LYS  21 -12.992 -20.163   0.013
  149   2HE   LYS  21          2HE       LYS  21 -12.413 -21.528   0.987
  150   1HZ   LYS  21          1HZ       LYS  21 -13.502 -22.997  -0.710
  151   2HZ   LYS  21          2HZ       LYS  21 -13.717 -21.624  -1.682
  152   3HZ   LYS  21          3HZ       LYS  21 -12.150 -22.141  -1.281
  153    H    GLY  22           H        GLY  22 -12.274 -22.637   5.802
  154   1HA   GLY  22          1HA       GLY  22 -10.494 -23.959   6.669
  155   2HA   GLY  22          2HA       GLY  22 -11.022 -25.292   5.645
  156    H    ASP  23           H        ASP  23  -8.303 -24.287   5.962
  157    HA   ASP  23           HA       ASP  23  -7.652 -22.844   3.482
  158   1HB   ASP  23          1HB       ASP  23  -6.521 -23.299   6.041
  159   2HB   ASP  23          2HB       ASP  23  -5.417 -24.038   4.882
  160    H    LYS  24           H        LYS  24  -8.905 -24.931   2.513
  161    HA   LYS  24           HA       LYS  24  -7.821 -27.477   2.269
  162   1HB   LYS  24          1HB       LYS  24  -9.335 -25.587   0.534
  163   2HB   LYS  24          2HB       LYS  24  -8.672 -27.021  -0.250
  164   1HG   LYS  24          1HG       LYS  24  -9.725 -28.109   2.025
  165   2HG   LYS  24          2HG       LYS  24 -10.857 -26.792   1.727
  166   1HD   LYS  24          1HD       LYS  24 -11.805 -28.463   0.422
  167   2HD   LYS  24          2HD       LYS  24 -10.745 -27.698  -0.762
  168   1HE   LYS  24          1HE       LYS  24  -9.083 -29.408  -0.519
  169   2HE   LYS  24          2HE       LYS  24  -9.856 -30.046   0.945
  170   1HZ   LYS  24          1HZ       LYS  24 -11.899 -30.329  -0.516
  171   2HZ   LYS  24          2HZ       LYS  24 -10.864 -30.107  -1.844
  172   3HZ   LYS  24          3HZ       LYS  24 -10.621 -31.414  -0.793
  173    H    PHE  25           H        PHE  25  -6.548 -24.489   0.934
  174    HA   PHE  25           HA       PHE  25  -4.683 -25.816  -0.898
  175   1HB   PHE  25          1HB       PHE  25  -5.312 -23.032   0.039
  176   2HB   PHE  25          2HB       PHE  25  -3.804 -23.322  -0.828
  177    HD1  PHE  25           HD1      PHE  25  -7.496 -23.483  -1.045
  178    HD2  PHE  25           HD2      PHE  25  -3.790 -23.908  -3.174
  179    HE1  PHE  25           HE1      PHE  25  -8.733 -23.506  -3.194
  180    HE2  PHE  25           HE2      PHE  25  -5.027 -23.932  -5.323
  181    HZ   PHE  25           HZ       PHE  25  -7.499 -23.731  -5.333
  182    H    ALA  26           H        ALA  26  -4.686 -24.811   2.446
  183    HA   ALA  26           HA       ALA  26  -1.722 -25.076   2.626
  184   1HB   ALA  26          3HB       ALA  26  -1.958 -23.523   4.261
  185   2HB   ALA  26          2HB       ALA  26  -3.198 -24.479   5.072
  186   3HB   ALA  26          1HB       ALA  26  -3.643 -23.388   3.759
  187    H    GLY  27           H        GLY  27  -4.722 -26.646   3.558
  188   1HA   GLY  27          1HA       GLY  27  -4.457 -29.147   3.864
  189   2HA   GLY  27          2HA       GLY  27  -3.115 -28.759   4.939
  190    H    ILE  28           H        ILE  28  -6.073 -26.845   4.915
  191    HA   ILE  28           HA       ILE  28  -6.786 -28.048   7.567
  192    HB   ILE  28           HB       ILE  28  -6.727 -25.179   6.592
  193   1HG1  ILE  28          1HG1      ILE  28  -5.513 -25.907   9.163
  194   2HG1  ILE  28          2HG1      ILE  28  -4.788 -26.739   7.787
  195   1HG2  ILE  28          1HG2      ILE  28  -8.317 -26.455   8.724
  196   2HG2  ILE  28          2HG2      ILE  28  -7.379 -25.060   9.257
  197   3HG2  ILE  28          3HG2      ILE  28  -8.540 -24.893   7.939
  198   1HD1  ILE  28          1HD1      ILE  28  -5.316 -23.778   7.655
  199   2HD1  ILE  28          2HD1      ILE  28  -3.873 -24.384   8.466
  200   3HD1  ILE  28          3HD1      ILE  28  -4.136 -24.734   6.759
  201    HA   PRO  29           HA       PRO  29 -10.598 -28.673   5.277
  202   1HB   PRO  29          1HB       PRO  29 -12.016 -29.795   7.337
  203   2HB   PRO  29          2HB       PRO  29 -10.822 -30.693   6.380
  204   1HG   PRO  29          2HG       PRO  29  -9.940 -30.986   8.494
  205   2HG   PRO  29          1HG       PRO  29 -10.543 -29.424   9.069
  206   1HD   PRO  29          1HD       PRO  29  -8.366 -28.785   8.709
  207   2HD   PRO  29          2HD       PRO  29  -8.097 -30.045   7.485
  208    HA   PRO  30           HA       PRO  30 -13.173 -25.323   6.502
  209   1HB   PRO  30          1HB       PRO  30 -15.723 -26.295   6.343
  210   2HB   PRO  30          2HB       PRO  30 -14.734 -25.945   4.911
  211   1HG   PRO  30          2HG       PRO  30 -15.212 -28.174   4.537
  212   2HG   PRO  30          1HG       PRO  30 -15.263 -28.549   6.267
  213   1HD   PRO  30          1HD       PRO  30 -13.155 -29.365   5.839
  214   2HD   PRO  30          2HD       PRO  30 -12.910 -28.280   4.454
  215    H    GLY  31           H        GLY  31 -15.530 -25.192   7.930
  216   1HA   GLY  31          1HA       GLY  31 -16.219 -25.031  10.177
  217   2HA   GLY  31          2HA       GLY  31 -15.877 -26.759  10.217
  218    H    THR  32           H        THR  32 -13.317 -24.483   9.518
  219    HA   THR  32           HA       THR  32 -12.211 -24.954  12.267
  220    HB   THR  32           HB       THR  32 -10.785 -24.830   9.592
  221    HG1  THR  32           HG1      THR  32 -11.811 -26.752   9.709
  222   1HG2  THR  32          1HG2      THR  32  -9.531 -24.030  11.657
  223   2HG2  THR  32          2HG2      THR  32  -9.692 -25.671  12.283
  224   3HG2  THR  32          3HG2      THR  32  -8.791 -25.381  10.795
  225    HA   PRO  33           HA       PRO  33 -12.173 -20.465  12.017
  226   1HB   PRO  33          1HB       PRO  33 -11.413 -20.019  14.603
  227   2HB   PRO  33          2HB       PRO  33 -13.075 -20.436  14.145
  228   1HG   PRO  33          2HG       PRO  33 -12.692 -22.163  15.598
  229   2HG   PRO  33          1HG       PRO  33 -10.945 -22.137  15.327
  230   1HD   PRO  33          1HD       PRO  33 -11.315 -23.933  13.989
  231   2HD   PRO  33          2HD       PRO  33 -13.051 -23.587  13.858
  232    H    PHE  34           H        PHE  34 -10.480 -18.813  12.128
  233    HA   PHE  34           HA       PHE  34  -7.884 -19.661  11.304
  234   1HB   PHE  34          1HB       PHE  34  -8.647 -17.517  10.666
  235   2HB   PHE  34          2HB       PHE  34  -9.151 -17.110  12.299
  236    HD1  PHE  34           HD1      PHE  34  -6.286 -17.382   9.992
  237    HD2  PHE  34           HD2      PHE  34  -7.544 -16.348  13.966
  238    HE1  PHE  34           HE1      PHE  34  -4.102 -16.278  10.398
  239    HE2  PHE  34           HE2      PHE  34  -5.361 -15.245  14.372
  240    HZ   PHE  34           HZ       PHE  34  -3.640 -15.208  12.588
  241    H    VAL  35           H        VAL  35  -9.183 -18.831  14.495
  242    HA   VAL  35           HA       VAL  35  -6.687 -18.695  15.902
  243    HB   VAL  35           HB       VAL  35  -8.192 -19.050  17.871
  244   1HG1  VAL  35          1HG1      VAL  35  -8.087 -16.917  16.160
  245   2HG1  VAL  35          2HG1      VAL  35  -9.817 -17.263  16.172
  246   3HG1  VAL  35          3HG1      VAL  35  -8.975 -16.920  17.683
  247   1HG2  VAL  35          1HG2      VAL  35  -9.671 -20.580  16.153
  248   2HG2  VAL  35          2HG2      VAL  35 -10.280 -19.934  17.677
  249   3HG2  VAL  35          3HG2      VAL  35 -10.603 -19.082  16.167
  250    H    ASP  36           H        ASP  36  -8.336 -21.373  14.509
  251    HA   ASP  36           HA       ASP  36  -7.155 -23.339  16.391
  252   1HB   ASP  36          1HB       ASP  36  -9.417 -23.131  14.637
  253   2HB   ASP  36          2HB       ASP  36  -8.458 -24.531  14.152
  254    H    LEU  37           H        LEU  37  -6.266 -21.757  13.496
  255    HA   LEU  37           HA       LEU  37  -5.007 -23.739  11.943
  256   1HB   LEU  37          1HB       LEU  37  -4.322 -20.862  12.595
  257   2HB   LEU  37          2HB       LEU  37  -3.469 -21.779  11.354
  258    HG   LEU  37           HG       LEU  37  -6.455 -21.244  11.434
  259   1HD1  LEU  37          1HD1      LEU  37  -4.898 -19.328  10.812
  260   2HD1  LEU  37          2HD1      LEU  37  -4.395 -20.298   9.428
  261   3HD1  LEU  37          3HD1      LEU  37  -6.073 -19.776   9.575
  262   1HD2  LEU  37          1HD2      LEU  37  -4.700 -22.965   9.711
  263   2HD2  LEU  37          2HD2      LEU  37  -6.308 -23.305  10.353
  264   3HD2  LEU  37          3HD2      LEU  37  -6.116 -22.192   8.998
  265    H    SER  38           H        SER  38  -2.756 -24.452  11.912
  266    HA   SER  38           HA       SER  38  -1.685 -25.379  14.340
  267   1HB   SER  38          1HB       SER  38  -1.162 -25.818  11.790
  268   2HB   SER  38          2HB       SER  38   0.082 -24.592  12.039
  269    HG   SER  38           HG       SER  38   0.639 -26.886  12.462
  270    H    ASP  39           H        ASP  39  -0.063 -24.570  15.752
  271    HA   ASP  39           HA       ASP  39  -0.008 -21.826  16.369
  272   1HB   ASP  39          1HB       ASP  39   1.376 -24.288  17.073
  273   2HB   ASP  39          2HB       ASP  39   2.463 -22.902  17.149
  274    H    SER  40           H        SER  40   1.757 -23.574  13.910
  275    HA   SER  40           HA       SER  40   3.293 -21.070  13.284
  276   1HB   SER  40          1HB       SER  40   5.039 -22.643  12.444
  277   2HB   SER  40          2HB       SER  40   4.696 -22.885  14.158
  278    HG   SER  40           HG       SER  40   4.761 -24.829  12.843
  279    H    PHE  41           H        PHE  41   0.734 -21.417  12.184
  280    HA   PHE  41           HA       PHE  41   0.768 -22.794   9.639
  281   1HB   PHE  41          1HB       PHE  41  -1.316 -22.372  10.726
  282   2HB   PHE  41          2HB       PHE  41  -0.946 -20.674  10.958
  283    HD1  PHE  41           HD1      PHE  41  -2.039 -23.228   8.543
  284    HD2  PHE  41           HD2      PHE  41  -1.129 -19.069   9.121
  285    HE1  PHE  41           HE1      PHE  41  -3.132 -22.687   6.383
  286    HE2  PHE  41           HE2      PHE  41  -2.220 -18.529   6.961
  287    HZ   PHE  41           HZ       PHE  41  -3.221 -20.338   5.591
  288    H    MET  42           H        MET  42   1.151 -21.911   7.559
  289    HA   MET  42           HA       MET  42   2.356 -19.160   7.521
  290   1HB   MET  42          1HB       MET  42   3.032 -21.495   5.709
  291   2HB   MET  42          2HB       MET  42   3.933 -19.996   5.904
  292   1HG   MET  42          1HG       MET  42   4.233 -20.661   8.359
  293   2HG   MET  42          2HG       MET  42   3.645 -22.256   7.892
  294   1HE   MET  42          1HE       MET  42   4.598 -23.503   5.753
  295   2HE   MET  42          2HE       MET  42   6.291 -23.933   5.981
  296   3HE   MET  42          3HE       MET  42   5.151 -24.066   7.328
  297    H    CYS  43           H        CYS  43   1.562 -17.777   5.958
  298    HA   CYS  43           HA       CYS  43  -0.936 -18.153   4.715
  299   1HB   CYS  43          1HB       CYS  43   0.410 -16.046   5.127
  300   2HB   CYS  43          2HB       CYS  43   1.378 -16.477   3.720
  301    HA   PRO  44           HA       PRO  44   0.302 -20.849   1.380
  302   1HB   PRO  44          1HB       PRO  44  -2.080 -20.885   0.039
  303   2HB   PRO  44          2HB       PRO  44  -1.793 -21.810   1.525
  304   1HG   PRO  44          1HG       PRO  44  -3.259 -19.257   1.127
  305   2HG   PRO  44          2HG       PRO  44  -3.589 -20.585   2.247
  306   1HD   PRO  44          1HD       PRO  44  -2.380 -18.197   2.933
  307   2HD   PRO  44          2HD       PRO  44  -2.241 -19.705   3.857
  308    H    ALA  45           H        ALA  45  -0.314 -17.552   1.206
  309    HA   ALA  45           HA       ALA  45   0.105 -17.479  -1.754
  310   1HB   ALA  45          2HB       ALA  45  -0.714 -15.059  -0.247
  311   2HB   ALA  45          1HB       ALA  45  -1.880 -16.382  -0.258
  312   3HB   ALA  45          3HB       ALA  45  -1.322 -15.684  -1.779
  313    H    CYS  46           H        CYS  46   1.101 -15.971   1.324
  314    HA   CYS  46           HA       CYS  46   3.584 -15.066  -0.081
  315   1HB   CYS  46          1HB       CYS  46   3.429 -13.029   1.053
  316   2HB   CYS  46          2HB       CYS  46   1.740 -13.419   0.764
  317    H    ARG  47           H        ARG  47   2.588 -17.403   1.953
  318    HA   ARG  47           HA       ARG  47   3.666 -18.772   3.536
  319   1HB   ARG  47          1HB       ARG  47   5.837 -17.422   1.954
  320   2HB   ARG  47          2HB       ARG  47   6.249 -18.560   3.237
  321   1HG   ARG  47          1HG       ARG  47   4.734 -20.241   2.148
  322   2HG   ARG  47          2HG       ARG  47   4.508 -19.109   0.814
  323   1HD   ARG  47          1HD       ARG  47   6.775 -19.280   0.135
  324   2HD   ARG  47          2HD       ARG  47   7.274 -19.973   1.689
  325    HE   ARG  47           HE       ARG  47   5.561 -21.872   0.945
  326   1HH1  ARG  47          1HH1      ARG  47   8.548 -21.083  -0.204
  327   2HH1  ARG  47          2HH1      ARG  47   8.391 -21.868  -1.741
  328   1HH2  ARG  47          1HH2      ARG  47   4.991 -22.453  -1.390
  329   2HH2  ARG  47          2HH2      ARG  47   6.377 -22.643  -2.412
  330    H    SER  48           H        SER  48   3.043 -15.841   4.363
  331    HA   SER  48           HA       SER  48   5.191 -15.172   6.241
  332   1HB   SER  48          1HB       SER  48   2.415 -14.177   5.608
  333   2HB   SER  48          2HB       SER  48   3.281 -13.567   7.015
  334    HG   SER  48           HG       SER  48   4.739 -12.636   5.760
  335    HA   PRO  49           HA       PRO  49   3.790 -17.493   9.703
  336   1HB   PRO  49          1HB       PRO  49   4.010 -15.729  11.789
  337   2HB   PRO  49          2HB       PRO  49   5.410 -16.484  11.002
  338   1HG   PRO  49          1HG       PRO  49   4.256 -13.759  10.620
  339   2HG   PRO  49          2HG       PRO  49   5.951 -14.263  10.697
  340   1HD   PRO  49          1HD       PRO  49   4.661 -13.724   8.363
  341   2HD   PRO  49          2HD       PRO  49   5.994 -14.891   8.486
  342    H    LYS  50           H        LYS  50   1.827 -17.988  10.690
  343    HA   LYS  50           HA       LYS  50  -0.586 -16.761   9.967
  344   1HB   LYS  50          1HB       LYS  50  -0.080 -19.016  11.085
  345   2HB   LYS  50          2HB       LYS  50  -0.052 -18.135  12.613
  346   1HG   LYS  50          1HG       LYS  50  -2.372 -17.210  11.828
  347   2HG   LYS  50          2HG       LYS  50  -2.364 -18.597  10.740
  348   1HD   LYS  50          1HD       LYS  50  -2.538 -20.121  12.461
  349   2HD   LYS  50          2HD       LYS  50  -1.653 -19.100  13.595
  350   1HE   LYS  50          1HE       LYS  50  -3.658 -17.560  13.653
  351   2HE   LYS  50          2HE       LYS  50  -4.539 -18.773  12.705
  352   1HZ   LYS  50          1HZ       LYS  50  -3.748 -20.418  14.435
  353   2HZ   LYS  50          2HZ       LYS  50  -3.302 -19.085  15.386
  354   3HZ   LYS  50          3HZ       LYS  50  -4.931 -19.316  14.955
  355    H    ASN  51           H        ASN  51   1.667 -15.794  12.468
  356    HA   ASN  51           HA       ASN  51  -0.136 -14.183  14.024
  357   1HB   ASN  51          1HB       ASN  51   2.247 -15.032  14.521
  358   2HB   ASN  51          2HB       ASN  51   2.807 -13.673  13.545
  359   2HD2  ASN  51          2HD2      ASN  51   3.173 -11.793  14.729
  360   1HD2  ASN  51          1HD2      ASN  51   2.427 -11.407  16.204
  361    H    GLN  52           H        GLN  52   1.109 -13.797  10.849
  362    HA   GLN  52           HA       GLN  52   1.000 -10.858  10.845
  363   1HB   GLN  52          1HB       GLN  52   2.123 -12.973   9.307
  364   2HB   GLN  52          2HB       GLN  52   1.034 -12.086   8.242
  365   1HG   GLN  52          1HG       GLN  52   3.204 -10.839   9.956
  366   2HG   GLN  52          2HG       GLN  52   3.319 -11.123   8.219
  367   2HE2  GLN  52          2HE2      GLN  52   0.715 -10.363   7.401
  368   1HE2  GLN  52          1HE2      GLN  52   0.493  -8.711   7.713
  369    H    PHE  53           H        PHE  53  -1.318 -13.326  10.755
  370    HA   PHE  53           HA       PHE  53  -3.098 -12.061   8.772
  371   1HB   PHE  53          1HB       PHE  53  -3.203 -14.411  10.666
  372   2HB   PHE  53          2HB       PHE  53  -4.638 -13.895   9.785
  373    HD1  PHE  53           HD1      PHE  53  -1.009 -14.643   9.179
  374    HD2  PHE  53           HD2      PHE  53  -5.027 -14.778   7.666
  375    HE1  PHE  53           HE1      PHE  53  -0.209 -15.846   7.164
  376    HE2  PHE  53           HE2      PHE  53  -4.227 -15.981   5.651
  377    HZ   PHE  53           HZ       PHE  53  -1.819 -16.516   5.401
  378    H    LYS  54           H        LYS  54  -4.788 -10.684   9.266
  379    HA   LYS  54           HA       LYS  54  -5.319 -10.136  12.169
  380   1HB   LYS  54          1HB       LYS  54  -4.027  -8.374  10.946
  381   2HB   LYS  54          2HB       LYS  54  -5.367  -8.223   9.809
  382   1HG   LYS  54          1HG       LYS  54  -6.863  -7.718  11.789
  383   2HG   LYS  54          2HG       LYS  54  -5.409  -7.643  12.783
  384   1HD   LYS  54          1HD       LYS  54  -4.509  -5.864  11.312
  385   2HD   LYS  54          2HD       LYS  54  -5.982  -5.929  10.345
  386   1HE   LYS  54          1HE       LYS  54  -6.410  -5.592  13.262
  387   2HE   LYS  54          2HE       LYS  54  -5.658  -4.214  12.435
  388   1HZ   LYS  54          1HZ       LYS  54  -7.995  -5.651  11.311
  389   2HZ   LYS  54          2HZ       LYS  54  -8.185  -4.338  12.371
  390   3HZ   LYS  54          3HZ       LYS  54  -7.400  -4.119  10.883
  391    H    SER  55           H        SER  55  -7.475 -10.293  12.739
  392    HA   SER  55           HA       SER  55  -9.410 -11.406  10.966
  393   1HB   SER  55          1HB       SER  55 -10.970 -10.850  12.827
  394   2HB   SER  55          2HB       SER  55  -9.488 -11.592  13.395
  395    HG   SER  55           HG       SER  55 -10.484  -9.216  14.027
  396    H    ILE  56           H        ILE  56 -11.613 -10.269  10.712
  397    HA   ILE  56           HA       ILE  56 -11.539  -7.360  10.258
  398    HB   ILE  56           HB       ILE  56 -12.127  -7.756   7.782
  399   1HG1  ILE  56          1HG1      ILE  56 -10.680 -10.370   8.161
  400   2HG1  ILE  56          2HG1      ILE  56 -12.438 -10.293   8.282
  401   1HG2  ILE  56          1HG2      ILE  56  -9.824  -7.092   8.885
  402   2HG2  ILE  56          2HG2      ILE  56  -9.336  -8.696   8.340
  403   3HG2  ILE  56          3HG2      ILE  56  -9.900  -7.502   7.173
  404   1HD1  ILE  56          1HD1      ILE  56 -11.637  -8.819   5.963
  405   2HD1  ILE  56          2HD1      ILE  56 -10.838 -10.391   5.920
  406   3HD1  ILE  56          3HD1      ILE  56 -12.594 -10.298   6.038
  407    H    LYS  57           H        LYS  57 -13.411  -7.416  11.669
  408    HA   LYS  57           HA       LYS  57 -15.792  -8.890  10.639
  409   1HB   LYS  57          1HB       LYS  57 -16.670  -8.390  12.916
  410   2HB   LYS  57          2HB       LYS  57 -15.117  -9.222  12.981
  411   1HG   LYS  57          1HG       LYS  57 -14.035  -7.407  13.845
  412   2HG   LYS  57          2HG       LYS  57 -14.968  -6.265  12.878
  413   1HD   LYS  57          1HD       LYS  57 -16.892  -7.297  14.554
  414   2HD   LYS  57          2HD       LYS  57 -15.473  -7.272  15.600
  415   1HE   LYS  57          1HE       LYS  57 -15.364  -4.970  15.608
  416   2HE   LYS  57          2HE       LYS  57 -15.941  -4.838  13.935
  417   1HZ   LYS  57          1HZ       LYS  57 -17.646  -5.805  16.167
  418   2HZ   LYS  57          2HZ       LYS  57 -17.589  -4.172  15.706
  419   3HZ   LYS  57          3HZ       LYS  57 -18.139  -5.347  14.610
  420    H    LYS  58           H        LYS  58 -15.562  -7.035   8.888
  421    HA   LYS  58           HA       LYS  58 -17.069  -4.618   9.831
  422   1HB   LYS  58          1HB       LYS  58 -14.621  -4.888   8.536
  423   2HB   LYS  58          2HB       LYS  58 -15.732  -4.490   7.226
  424   1HG   LYS  58          1HG       LYS  58 -15.972  -2.362   7.951
  425   2HG   LYS  58          2HG       LYS  58 -16.201  -2.877   9.622
  426   1HD   LYS  58          1HD       LYS  58 -14.009  -2.559  10.145
  427   2HD   LYS  58          2HD       LYS  58 -13.450  -3.219   8.609
  428   1HE   LYS  58          1HE       LYS  58 -14.767  -0.798   7.968
  429   2HE   LYS  58          2HE       LYS  58 -13.740  -0.446   9.370
  430   1HZ   LYS  58          1HZ       LYS  58 -11.957  -1.733   8.207
  431   2HZ   LYS  58          2HZ       LYS  58 -12.942  -1.753   6.822
  432   3HZ   LYS  58          3HZ       LYS  58 -12.377  -0.278   7.437
  433    H    VAL  59           H        VAL  59 -18.885  -3.972   8.584
  434    HA   VAL  59           HA       VAL  59 -19.827  -5.985   6.568
  435    HB   VAL  59           HB       VAL  59 -21.299  -4.190   8.524
  436   1HG1  VAL  59          1HG1      VAL  59 -22.193  -5.165   6.037
  437   2HG1  VAL  59          2HG1      VAL  59 -22.892  -6.246   7.242
  438   3HG1  VAL  59          3HG1      VAL  59 -23.189  -4.510   7.338
  439   1HG2  VAL  59          1HG2      VAL  59 -20.060  -6.468   9.134
  440   2HG2  VAL  59          2HG2      VAL  59 -21.643  -6.084   9.812
  441   3HG2  VAL  59          3HG2      VAL  59 -21.516  -7.173   8.430
  442    H    ILE  60           H        ILE  60 -18.640  -4.667   4.921
  443    HA   ILE  60           HA       ILE  60 -19.566  -1.918   4.419
  444    HB   ILE  60           HB       ILE  60 -17.795  -3.822   2.853
  445   1HG1  ILE  60          1HG1      ILE  60 -16.948  -3.397   5.126
  446   2HG1  ILE  60          2HG1      ILE  60 -15.939  -2.586   3.928
  447   1HG2  ILE  60          1HG2      ILE  60 -18.764  -1.103   2.381
  448   2HG2  ILE  60          2HG2      ILE  60 -17.003  -1.201   2.380
  449   3HG2  ILE  60          3HG2      ILE  60 -17.943  -2.207   1.277
  450   1HD1  ILE  60          1HD1      ILE  60 -17.365  -0.510   4.317
  451   2HD1  ILE  60          2HD1      ILE  60 -18.057  -1.352   5.703
  452   3HD1  ILE  60          3HD1      ILE  60 -16.333  -0.983   5.666
  453    H    ALA  61           H        ALA  61 -21.912  -2.792   4.186
  454    HA   ALA  61           HA       ALA  61 -22.524  -4.301   1.749
  455   1HB   ALA  61          3HB       ALA  61 -24.701  -4.289   2.619
  456   2HB   ALA  61          1HB       ALA  61 -23.730  -4.138   4.082
  457   3HB   ALA  61          2HB       ALA  61 -24.492  -2.712   3.379
  458    H    GLY  62           H        GLY  62 -21.502  -2.804   0.176
  459   1HA   GLY  62          1HA       GLY  62 -23.356  -0.589  -0.540
  460   2HA   GLY  62          2HA       GLY  62 -21.628  -0.249  -0.440
  461    H    PHE  63           H        PHE  63 -23.058  -3.259  -1.629
  462    HA   PHE  63           HA       PHE  63 -22.808  -4.328  -3.722
  463   1HB   PHE  63          1HB       PHE  63 -24.267  -2.166  -4.040
  464   2HB   PHE  63          2HB       PHE  63 -22.851  -1.558  -4.897
  465    HD1  PHE  63           HD1      PHE  63 -25.402  -4.254  -4.823
  466    HD2  PHE  63           HD2      PHE  63 -22.243  -2.395  -7.062
  467    HE1  PHE  63           HE1      PHE  63 -26.057  -5.557  -6.828
  468    HE2  PHE  63           HE2      PHE  63 -22.897  -3.699  -9.067
  469    HZ   PHE  63           HZ       PHE  63 -24.804  -5.281  -8.950
  470    H    ALA  64           H        ALA  64 -20.372  -4.148  -2.543
  471    HA   ALA  64           HA       ALA  64 -18.455  -2.738  -4.287
  472   1HB   ALA  64          3HB       ALA  64 -17.624  -2.714  -2.154
  473   2HB   ALA  64          1HB       ALA  64 -18.533  -4.151  -1.687
  474   3HB   ALA  64          2HB       ALA  64 -17.016  -4.316  -2.571
  475    H    GLU  65           H        GLU  65 -19.512  -4.244  -6.107
  476    HA   GLU  65           HA       GLU  65 -18.251  -6.939  -6.156
  477   1HB   GLU  65          1HB       GLU  65 -20.416  -5.481  -7.661
  478   2HB   GLU  65          2HB       GLU  65 -19.723  -6.964  -8.318
  479   1HG   GLU  65          2HG       GLU  65 -20.249  -7.424  -5.556
  480   2HG   GLU  65          1HG       GLU  65 -21.040  -8.167  -6.947
  481    H    ASN  66           H        ASN  66 -17.042  -7.586  -8.089
  482    HA   ASN  66           HA       ASN  66 -15.229  -5.493  -9.045
  483   1HB   ASN  66          1HB       ASN  66 -14.580  -7.825  -8.414
  484   2HB   ASN  66          2HB       ASN  66 -15.523  -8.425  -9.778
  485   2HD2  ASN  66          2HD2      ASN  66 -12.568  -6.695  -8.882
  486   1HD2  ASN  66          1HD2      ASN  66 -11.870  -6.724 -10.429
  487    H    GLN  67           H        GLN  67 -16.481  -4.120 -10.425
  488    HA   GLN  67           HA       GLN  67 -17.569  -5.444 -12.892
  489   1HB   GLN  67          1HB       GLN  67 -19.182  -3.568 -12.914
  490   2HB   GLN  67          2HB       GLN  67 -19.266  -4.448 -11.389
  491   1HG   GLN  67          1HG       GLN  67 -18.017  -2.764 -10.240
  492   2HG   GLN  67          2HG       GLN  67 -17.538  -1.991 -11.752
  493   2HE2  GLN  67          2HE2      GLN  67 -20.793  -3.138 -10.722
  494   1HE2  GLN  67          1HE2      GLN  67 -21.538  -1.620 -10.860
  495    H    LYS  68           H        LYS  68 -17.789  -3.462 -14.626
  496    HA   LYS  68           HA       LYS  68 -15.022  -2.639 -15.161
  497   1HB   LYS  68          2HB       LYS  68 -15.983  -1.936 -17.293
  498   2HB   LYS  68          1HB       LYS  68 -17.613  -2.037 -16.628
  499   1HG   LYS  68          1HG       LYS  68 -17.212  -4.489 -16.211
  500   2HG   LYS  68          2HG       LYS  68 -17.203  -4.048 -17.919
  501   1HD   LYS  68          1HD       LYS  68 -14.765  -4.015 -17.940
  502   2HD   LYS  68          2HD       LYS  68 -14.716  -4.310 -16.202
  503   1HE   LYS  68          1HE       LYS  68 -16.113  -6.453 -16.774
  504   2HE   LYS  68          2HE       LYS  68 -15.491  -6.203 -18.417
  505   1HZ   LYS  68          1HZ       LYS  68 -13.253  -5.879 -17.274
  506   2HZ   LYS  68          2HZ       LYS  68 -13.966  -6.582 -15.902
  507   3HZ   LYS  68          3HZ       LYS  68 -13.846  -7.467 -17.348
  508    H    TYR  69           H        TYR  69 -14.999  -1.212 -13.132
  509    HA   TYR  69           HA       TYR  69 -16.623   1.141 -12.914
  510   1HB   TYR  69          1HB       TYR  69 -14.130   0.006 -11.779
  511   2HB   TYR  69          2HB       TYR  69 -14.279   1.759 -11.659
  512    HD1  TYR  69           HD1      TYR  69 -16.786   2.550 -10.990
  513    HD2  TYR  69           HD2      TYR  69 -15.002  -1.234 -10.015
  514    HE1  TYR  69           HE1      TYR  69 -18.372   2.288  -9.102
  515    HE2  TYR  69           HE2      TYR  69 -16.588  -1.495  -8.126
  516    HH   TYR  69           HH       TYR  69 -18.843  -0.648  -7.491
  517    H    GLY  70           H        GLY  70 -16.694   2.330 -14.871
  518   1HA   GLY  70          1HA       GLY  70 -14.533   4.151 -15.373
  519   2HA   GLY  70          2HA       GLY  70 -14.539   2.887 -16.602

  No H/Q in entry =         519
  Start of MODEL   14
    1    H1   MET   1          1H        MET   1 -16.356  -3.753   4.982
    2    H2   MET   1          2H        MET   1 -16.676  -4.175   3.367
    3    H3   MET   1          3H        MET   1 -15.916  -2.699   3.727
    4    HA   MET   1           HA       MET   1 -17.859  -1.730   4.539
    5   1HB   MET   1          1HB       MET   1 -18.363  -3.628   2.231
    6   2HB   MET   1          2HB       MET   1 -19.502  -2.363   2.690
    7   1HG   MET   1          1HG       MET   1 -17.881  -0.638   2.261
    8   2HG   MET   1          2HG       MET   1 -16.587  -1.821   2.072
    9   1HE   MET   1          1HE       MET   1 -19.910  -0.774   1.234
   10   2HE   MET   1          2HE       MET   1 -19.793  -0.276  -0.459
   11   3HE   MET   1          3HE       MET   1 -20.404  -1.876  -0.048
   12    H    GLU   2           H        GLU   2 -19.104  -4.937   3.583
   13    HA   GLU   2           HA       GLU   2 -20.354  -5.186   6.299
   14   1HB   GLU   2          1HB       GLU   2 -21.531  -5.447   3.526
   15   2HB   GLU   2          2HB       GLU   2 -22.317  -6.164   4.932
   16   1HG   GLU   2          1HG       GLU   2 -22.787  -4.092   5.892
   17   2HG   GLU   2          2HG       GLU   2 -21.472  -3.284   5.039
   18    H    ILE   3           H        ILE   3 -18.471  -6.686   6.643
   19    HA   ILE   3           HA       ILE   3 -19.161  -9.425   5.734
   20    HB   ILE   3           HB       ILE   3 -16.768  -9.741   4.996
   21   1HG1  ILE   3          1HG1      ILE   3 -16.708  -6.718   5.259
   22   2HG1  ILE   3          2HG1      ILE   3 -15.817  -7.848   6.279
   23   1HG2  ILE   3          1HG2      ILE   3 -18.697  -9.185   3.444
   24   2HG2  ILE   3          2HG2      ILE   3 -18.170  -7.504   3.513
   25   3HG2  ILE   3          3HG2      ILE   3 -17.103  -8.736   2.838
   26   1HD1  ILE   3          1HD1      ILE   3 -14.742  -8.743   4.159
   27   2HD1  ILE   3          2HD1      ILE   3 -15.471  -7.382   3.306
   28   3HD1  ILE   3          3HD1      ILE   3 -14.289  -7.092   4.583
   29    H    ASP   4           H        ASP   4 -18.483 -10.997   7.221
   30    HA   ASP   4           HA       ASP   4 -16.432 -10.709   9.166
   31   1HB   ASP   4          1HB       ASP   4 -17.886 -10.318  11.147
   32   2HB   ASP   4          2HB       ASP   4 -17.855  -8.931  10.059
   33    H    GLU   5           H        GLU   5 -16.011 -12.822   9.224
   34    HA   GLU   5           HA       GLU   5 -17.843 -14.744  10.391
   35   1HB   GLU   5          1HB       GLU   5 -18.032 -14.185   7.604
   36   2HB   GLU   5          2HB       GLU   5 -17.317 -15.789   7.762
   37   1HG   GLU   5          1HG       GLU   5 -19.588 -15.252   9.580
   38   2HG   GLU   5          2HG       GLU   5 -20.002 -15.305   7.866
   39    H    GLY   6           H        GLY   6 -15.314 -14.172  11.206
   40   1HA   GLY   6          1HA       GLY   6 -13.271 -15.199  11.721
   41   2HA   GLY   6          2HA       GLY   6 -13.956 -16.685  11.073
   42    H    LYS   7           H        LYS   7 -13.968 -13.983   8.928
   43    HA   LYS   7           HA       LYS   7 -12.053 -15.338   7.152
   44   1HB   LYS   7          1HB       LYS   7 -14.029 -13.105   7.074
   45   2HB   LYS   7          2HB       LYS   7 -12.704 -13.027   5.914
   46   1HG   LYS   7          1HG       LYS   7 -13.285 -15.137   4.961
   47   2HG   LYS   7          2HG       LYS   7 -14.372 -15.520   6.296
   48   1HD   LYS   7          1HD       LYS   7 -15.547 -13.259   5.510
   49   2HD   LYS   7          2HD       LYS   7 -14.790 -13.683   3.974
   50   1HE   LYS   7          1HE       LYS   7 -15.814 -16.087   4.541
   51   2HE   LYS   7          2HE       LYS   7 -16.958 -15.103   5.472
   52   1HZ   LYS   7          1HZ       LYS   7 -17.082 -13.644   3.436
   53   2HZ   LYS   7          2HZ       LYS   7 -16.270 -14.871   2.593
   54   3HZ   LYS   7          3HZ       LYS   7 -17.795 -15.177   3.275
   55    H    TYR   8           H        TYR   8  -9.877 -14.930   7.351
   56    HA   TYR   8           HA       TYR   8  -9.056 -12.291   8.516
   57   1HB   TYR   8          1HB       TYR   8  -7.954 -15.094   8.564
   58   2HB   TYR   8          2HB       TYR   8  -6.891 -13.725   8.889
   59    HD1  TYR   8           HD1      TYR   8 -10.389 -14.749   9.804
   60    HD2  TYR   8           HD2      TYR   8  -6.602 -13.230  11.146
   61    HE1  TYR   8           HE1      TYR   8 -11.262 -14.635  12.118
   62    HE2  TYR   8           HE2      TYR   8  -7.475 -13.121  13.466
   63    HH   TYR   8           HH       TYR   8  -9.821 -14.686  14.623
   64    H    GLU   9           H        GLU   9  -7.347 -11.142   7.480
   65    HA   GLU   9           HA       GLU   9  -6.726 -12.082   4.702
   66   1HB   GLU   9          1HB       GLU   9  -8.245 -10.150   4.812
   67   2HB   GLU   9          2HB       GLU   9  -7.090  -9.288   5.827
   68   1HG   GLU   9          1HG       GLU   9  -5.424  -9.384   4.000
   69   2HG   GLU   9          2HG       GLU   9  -6.594 -10.226   2.984
   70    H    CYS  10           H        CYS  10  -4.570 -12.089   4.108
   71    HA   CYS  10           HA       CYS  10  -2.538 -11.795   6.181
   72   1HB   CYS  10          1HB       CYS  10  -2.728 -13.374   4.090
   73   2HB   CYS  10          2HB       CYS  10  -2.041 -12.009   3.229
   74    H    GLU  11           H        GLU  11  -1.964  -9.711   6.776
   75    HA   GLU  11           HA       GLU  11  -2.185  -7.414   5.035
   76   1HB   GLU  11          1HB       GLU  11  -1.468  -8.096   7.740
   77   2HB   GLU  11          2HB       GLU  11  -0.254  -7.004   7.080
   78   1HG   GLU  11          1HG       GLU  11  -2.240  -5.586   6.247
   79   2HG   GLU  11          2HG       GLU  11  -3.231  -6.555   7.338
   80    H    ALA  12           H        ALA  12   0.068  -9.986   5.186
   81    HA   ALA  12           HA       ALA  12   2.407  -8.470   4.295
   82   1HB   ALA  12          3HB       ALA  12   2.661 -10.395   5.727
   83   2HB   ALA  12          2HB       ALA  12   3.323 -10.825   4.149
   84   3HB   ALA  12          1HB       ALA  12   1.726 -11.402   4.623
   85    H    CYS  13           H        CYS  13   0.075 -10.763   2.757
   86    HA   CYS  13           HA       CYS  13   1.225  -9.871   0.135
   87   1HB   CYS  13          2HB       CYS  13   1.682 -12.245   0.936
   88   2HB   CYS  13          1HB       CYS  13   0.958 -12.110  -0.663
   89    H    GLY  14           H        GLY  14  -1.747 -10.726   1.870
   90   1HA   GLY  14          1HA       GLY  14  -3.732  -9.293   1.345
   91   2HA   GLY  14          2HA       GLY  14  -3.263  -9.406  -0.351
   92    H    TYR  15           H        TYR  15  -2.948 -12.235   1.614
   93    HA   TYR  15           HA       TYR  15  -4.929 -13.653  -0.027
   94   1HB   TYR  15          1HB       TYR  15  -2.798 -14.688   0.506
   95   2HB   TYR  15          2HB       TYR  15  -3.047 -14.416   2.230
   96    HD1  TYR  15           HD1      TYR  15  -4.835 -15.659   3.447
   97    HD2  TYR  15           HD2      TYR  15  -3.820 -16.540  -0.631
   98    HE1  TYR  15           HE1      TYR  15  -6.014 -17.832   3.625
   99    HE2  TYR  15           HE2      TYR  15  -4.997 -18.716  -0.454
  100    HH   TYR  15           HH       TYR  15  -5.782 -20.154   2.356
  101    H    ILE  16           H        ILE  16  -6.714 -14.874   0.987
  102    HA   ILE  16           HA       ILE  16  -7.666 -13.628   3.549
  103    HB   ILE  16           HB       ILE  16  -9.125 -14.472   1.028
  104   1HG1  ILE  16          1HG1      ILE  16  -7.917 -12.275   1.026
  105   2HG1  ILE  16          2HG1      ILE  16  -9.662 -12.113   0.835
  106   1HG2  ILE  16          1HG2      ILE  16 -10.210 -13.531   3.697
  107   2HG2  ILE  16          2HG2      ILE  16 -11.161 -13.579   2.213
  108   3HG2  ILE  16          3HG2      ILE  16 -10.530 -15.073   2.905
  109   1HD1  ILE  16          1HD1      ILE  16  -9.840 -11.684   3.296
  110   2HD1  ILE  16          2HD1      ILE  16  -8.082 -11.726   3.394
  111   3HD1  ILE  16          3HD1      ILE  16  -8.879 -10.466   2.457
  112    H    TYR  17           H        TYR  17  -7.740 -15.152   5.150
  113    HA   TYR  17           HA       TYR  17  -7.719 -18.021   4.513
  114   1HB   TYR  17          1HB       TYR  17  -6.358 -17.171   6.336
  115   2HB   TYR  17          2HB       TYR  17  -7.759 -16.401   7.082
  116    HD1  TYR  17           HD1      TYR  17  -6.386 -19.730   6.071
  117    HD2  TYR  17           HD2      TYR  17  -9.131 -17.597   8.601
  118    HE1  TYR  17           HE1      TYR  17  -6.902 -21.829   7.288
  119    HE2  TYR  17           HE2      TYR  17  -9.642 -19.700   9.813
  120    HH   TYR  17           HH       TYR  17  -8.789 -22.744   8.654
  121    H    GLU  18           H        GLU  18  -9.516 -19.287   4.434
  122    HA   GLU  18           HA       GLU  18 -12.111 -18.131   5.377
  123   1HB   GLU  18          1HB       GLU  18 -11.441 -20.287   3.345
  124   2HB   GLU  18          2HB       GLU  18 -13.066 -19.707   3.710
  125   1HG   GLU  18          1HG       GLU  18 -12.603 -17.544   2.837
  126   2HG   GLU  18          2HG       GLU  18 -10.863 -17.831   2.838
  127    HA   PRO  19           HA       PRO  19 -11.545 -21.358   8.469
  128   1HB   PRO  19          1HB       PRO  19 -13.744 -20.696   9.969
  129   2HB   PRO  19          2HB       PRO  19 -12.188 -19.869  10.087
  130   1HG   PRO  19          1HG       PRO  19 -14.668 -19.027   8.690
  131   2HG   PRO  19          2HG       PRO  19 -13.482 -18.059   9.572
  132   1HD   PRO  19          1HD       PRO  19 -13.595 -18.224   6.839
  133   2HD   PRO  19          2HD       PRO  19 -12.121 -17.839   7.751
  134    H    GLU  20           H        GLU  20 -14.986 -20.687   7.894
  135    HA   GLU  20           HA       GLU  20 -16.023 -23.251   8.075
  136   1HB   GLU  20          1HB       GLU  20 -16.683 -20.866   6.353
  137   2HB   GLU  20          2HB       GLU  20 -17.680 -22.320   6.299
  138   1HG   GLU  20          1HG       GLU  20 -16.985 -20.870   8.867
  139   2HG   GLU  20          2HG       GLU  20 -18.462 -20.566   7.951
  140    H    LYS  21           H        LYS  21 -14.086 -21.958   5.440
  141    HA   LYS  21           HA       LYS  21 -14.731 -24.248   3.677
  142   1HB   LYS  21          1HB       LYS  21 -14.213 -21.622   3.240
  143   2HB   LYS  21          2HB       LYS  21 -12.598 -22.293   3.015
  144   1HG   LYS  21          2HG       LYS  21 -14.266 -24.075   1.661
  145   2HG   LYS  21          1HG       LYS  21 -13.248 -22.839   0.921
  146   1HD   LYS  21          1HD       LYS  21 -16.176 -22.895   1.291
  147   2HD   LYS  21          2HD       LYS  21 -15.418 -21.361   1.721
  148   1HE   LYS  21          1HE       LYS  21 -15.243 -20.854  -0.481
  149   2HE   LYS  21          2HE       LYS  21 -14.231 -22.291  -0.724
  150   1HZ   LYS  21          1HZ       LYS  21 -17.185 -22.430  -0.462
  151   2HZ   LYS  21          2HZ       LYS  21 -16.421 -22.258  -1.967
  152   3HZ   LYS  21          3HZ       LYS  21 -16.129 -23.639  -1.020
  153    H    GLY  22           H        GLY  22 -11.961 -22.948   5.496
  154   1HA   GLY  22          1HA       GLY  22 -10.237 -24.306   6.472
  155   2HA   GLY  22          2HA       GLY  22 -10.755 -25.648   5.452
  156    H    ASP  23           H        ASP  23  -8.048 -24.373   5.847
  157    HA   ASP  23           HA       ASP  23  -7.438 -23.126   3.255
  158   1HB   ASP  23          1HB       ASP  23  -6.442 -22.636   5.593
  159   2HB   ASP  23          2HB       ASP  23  -5.498 -24.107   5.354
  160    H    LYS  24           H        LYS  24  -8.426 -25.406   2.432
  161    HA   LYS  24           HA       LYS  24  -7.059 -27.833   2.482
  162   1HB   LYS  24          1HB       LYS  24  -8.982 -26.461   0.868
  163   2HB   LYS  24          2HB       LYS  24  -7.844 -27.270  -0.210
  164   1HG   LYS  24          2HG       LYS  24  -8.163 -29.317   1.370
  165   2HG   LYS  24          1HG       LYS  24  -9.441 -28.943   0.215
  166   1HD   LYS  24          1HD       LYS  24  -9.459 -28.780   3.162
  167   2HD   LYS  24          2HD       LYS  24 -10.162 -27.381   2.349
  168   1HE   LYS  24          1HE       LYS  24 -11.094 -29.714   0.987
  169   2HE   LYS  24          2HE       LYS  24 -11.341 -29.964   2.726
  170   1HZ   LYS  24          1HZ       LYS  24 -12.145 -27.566   2.734
  171   2HZ   LYS  24          2HZ       LYS  24 -12.247 -27.696   1.043
  172   3HZ   LYS  24          3HZ       LYS  24 -13.187 -28.708   2.030
  173    H    PHE  25           H        PHE  25  -6.068 -24.848   0.926
  174    HA   PHE  25           HA       PHE  25  -4.044 -26.038  -0.794
  175   1HB   PHE  25          1HB       PHE  25  -4.531 -23.233   0.259
  176   2HB   PHE  25          2HB       PHE  25  -3.379 -23.630  -1.016
  177    HD1  PHE  25           HD1      PHE  25  -4.208 -24.671  -3.157
  178    HD2  PHE  25           HD2      PHE  25  -6.868 -23.074  -0.187
  179    HE1  PHE  25           HE1      PHE  25  -6.037 -24.605  -4.830
  180    HE2  PHE  25           HE2      PHE  25  -8.698 -23.008  -1.859
  181    HZ   PHE  25           HZ       PHE  25  -8.283 -23.775  -4.182
  182    H    ALA  26           H        ALA  26  -4.200 -25.083   2.555
  183    HA   ALA  26           HA       ALA  26  -1.225 -25.234   2.796
  184   1HB   ALA  26          3HB       ALA  26  -2.361 -23.221   3.650
  185   2HB   ALA  26          1HB       ALA  26  -3.399 -24.227   4.660
  186   3HB   ALA  26          2HB       ALA  26  -1.669 -24.140   4.986
  187    H    GLY  27           H        GLY  27  -4.254 -26.640   3.950
  188   1HA   GLY  27          1HA       GLY  27  -3.948 -29.177   4.315
  189   2HA   GLY  27          2HA       GLY  27  -2.672 -28.696   5.429
  190    H    ILE  28           H        ILE  28  -5.766 -26.980   5.084
  191    HA   ILE  28           HA       ILE  28  -6.523 -28.017   7.793
  192    HB   ILE  28           HB       ILE  28  -6.514 -25.196   6.689
  193   1HG1  ILE  28          1HG1      ILE  28  -5.386 -25.751   9.337
  194   2HG1  ILE  28          2HG1      ILE  28  -4.582 -26.642   8.045
  195   1HG2  ILE  28          1HG2      ILE  28  -7.802 -26.321   9.189
  196   2HG2  ILE  28          2HG2      ILE  28  -7.434 -24.608   8.989
  197   3HG2  ILE  28          3HG2      ILE  28  -8.579 -25.397   7.904
  198   1HD1  ILE  28          1HD1      ILE  28  -5.148 -23.671   7.888
  199   2HD1  ILE  28          2HD1      ILE  28  -3.638 -24.325   8.522
  200   3HD1  ILE  28          3HD1      ILE  28  -4.092 -24.623   6.844
  201    HA   PRO  29           HA       PRO  29 -10.209 -28.884   5.370
  202   1HB   PRO  29          1HB       PRO  29 -11.639 -30.032   7.407
  203   2HB   PRO  29          2HB       PRO  29 -10.371 -30.891   6.514
  204   1HG   PRO  29          1HG       PRO  29 -10.248 -29.550   9.179
  205   2HG   PRO  29          2HG       PRO  29  -9.550 -31.093   8.664
  206   1HD   PRO  29          1HD       PRO  29  -8.096 -28.812   8.881
  207   2HD   PRO  29          2HD       PRO  29  -7.719 -30.086   7.701
  208    HA   PRO  30           HA       PRO  30 -12.995 -25.639   6.424
  209   1HB   PRO  30          1HB       PRO  30 -15.487 -26.762   6.284
  210   2HB   PRO  30          2HB       PRO  30 -14.505 -26.408   4.848
  211   1HG   PRO  30          2HG       PRO  30 -14.868 -28.678   4.564
  212   2HG   PRO  30          1HG       PRO  30 -14.875 -28.986   6.309
  213   1HD   PRO  30          1HD       PRO  30 -12.721 -29.689   5.851
  214   2HD   PRO  30          2HD       PRO  30 -12.556 -28.595   4.461
  215    H    GLY  31           H        GLY  31 -15.365 -25.584   7.829
  216   1HA   GLY  31          1HA       GLY  31 -16.078 -25.358  10.065
  217   2HA   GLY  31          2HA       GLY  31 -15.685 -27.074  10.161
  218    H    THR  32           H        THR  32 -13.211 -24.690   9.463
  219    HA   THR  32           HA       THR  32 -12.117 -25.090  12.230
  220    HB   THR  32           HB       THR  32 -10.560 -24.813   9.647
  221    HG1  THR  32           HG1      THR  32 -10.829 -26.870   9.346
  222   1HG2  THR  32          1HG2      THR  32  -9.737 -24.561  12.247
  223   2HG2  THR  32          2HG2      THR  32  -9.470 -26.280  11.957
  224   3HG2  THR  32          3HG2      THR  32  -8.700 -25.081  10.918
  225    HA   PRO  33           HA       PRO  33 -12.373 -20.599  11.860
  226   1HB   PRO  33          1HB       PRO  33 -11.876 -20.065  14.497
  227   2HB   PRO  33          2HB       PRO  33 -13.471 -20.548  13.887
  228   1HG   PRO  33          1HG       PRO  33 -11.400 -22.161  15.289
  229   2HG   PRO  33          2HG       PRO  33 -13.162 -22.223  15.427
  230   1HD   PRO  33          1HD       PRO  33 -11.663 -24.015  13.985
  231   2HD   PRO  33          2HD       PRO  33 -13.369 -23.651  13.655
  232    H    PHE  34           H        PHE  34 -10.752 -19.002  11.720
  233    HA   PHE  34           HA       PHE  34  -8.078 -19.707  11.271
  234   1HB   PHE  34          1HB       PHE  34  -9.019 -17.627  10.520
  235   2HB   PHE  34          2HB       PHE  34  -9.418 -17.141  12.157
  236    HD1  PHE  34           HD1      PHE  34  -7.601 -16.528  13.763
  237    HD2  PHE  34           HD2      PHE  34  -6.808 -17.322   9.617
  238    HE1  PHE  34           HE1      PHE  34  -5.389 -15.426  13.975
  239    HE2  PHE  34           HE2      PHE  34  -4.595 -16.222   9.829
  240    HZ   PHE  34           HZ       PHE  34  -3.887 -15.273  12.008
  241    H    VAL  35           H        VAL  35  -9.628 -18.795  14.323
  242    HA   VAL  35           HA       VAL  35  -7.239 -18.453  15.873
  243    HB   VAL  35           HB       VAL  35  -8.855 -18.805  17.761
  244   1HG1  VAL  35          1HG1      VAL  35  -8.638 -16.696  16.145
  245   2HG1  VAL  35          2HG1      VAL  35 -10.296 -17.139  15.740
  246   3HG1  VAL  35          3HG1      VAL  35  -9.866 -16.756  17.408
  247   1HG2  VAL  35          1HG2      VAL  35 -10.167 -20.427  15.966
  248   2HG2  VAL  35          2HG2      VAL  35 -10.869 -19.809  17.461
  249   3HG2  VAL  35          3HG2      VAL  35 -11.158 -18.969  15.937
  250    H    ASP  36           H        ASP  36  -8.686 -21.294  14.564
  251    HA   ASP  36           HA       ASP  36  -7.444 -23.060  16.611
  252   1HB   ASP  36          1HB       ASP  36  -9.828 -23.238  15.643
  253   2HB   ASP  36          2HB       ASP  36  -9.054 -23.845  14.179
  254    H    LEU  37           H        LEU  37  -6.480 -21.589  13.749
  255    HA   LEU  37           HA       LEU  37  -5.272 -23.609  12.200
  256   1HB   LEU  37          1HB       LEU  37  -4.610 -20.741  12.867
  257   2HB   LEU  37          2HB       LEU  37  -3.594 -21.662  11.758
  258    HG   LEU  37           HG       LEU  37  -6.581 -21.214  11.459
  259   1HD1  LEU  37          1HD1      LEU  37  -5.076 -19.232  11.026
  260   2HD1  LEU  37          2HD1      LEU  37  -4.292 -20.183   9.764
  261   3HD1  LEU  37          3HD1      LEU  37  -5.998 -19.763   9.619
  262   1HD2  LEU  37          1HD2      LEU  37  -4.551 -22.845   9.953
  263   2HD2  LEU  37          2HD2      LEU  37  -6.189 -23.286  10.438
  264   3HD2  LEU  37          3HD2      LEU  37  -5.937 -22.163   9.102
  265    H    SER  38           H        SER  38  -2.720 -23.799  12.104
  266    HA   SER  38           HA       SER  38  -1.839 -25.066  14.544
  267   1HB   SER  38          2HB       SER  38   0.130 -25.522  13.250
  268   2HB   SER  38          1HB       SER  38  -0.159 -24.133  12.203
  269    HG   SER  38           HG       SER  38  -0.883 -26.523  11.696
  270    H    ASP  39           H        ASP  39  -0.118 -24.359  15.956
  271    HA   ASP  39           HA       ASP  39  -0.156 -21.652  16.783
  272   1HB   ASP  39          1HB       ASP  39   1.025 -24.105  17.512
  273   2HB   ASP  39          2HB       ASP  39   2.369 -22.979  17.321
  274    H    SER  40           H        SER  40   1.651 -23.197  14.222
  275    HA   SER  40           HA       SER  40   3.053 -20.594  13.710
  276   1HB   SER  40          1HB       SER  40   4.023 -23.455  13.675
  277   2HB   SER  40          2HB       SER  40   4.875 -22.195  12.784
  278    HG   SER  40           HG       SER  40   5.745 -22.350  14.837
  279    H    PHE  41           H        PHE  41   0.552 -21.293  12.538
  280    HA   PHE  41           HA       PHE  41   0.756 -22.623  10.015
  281   1HB   PHE  41          1HB       PHE  41  -1.392 -22.271  10.942
  282   2HB   PHE  41          2HB       PHE  41  -1.080 -20.580  11.271
  283    HD1  PHE  41           HD1      PHE  41  -1.851 -23.050   8.621
  284    HD2  PHE  41           HD2      PHE  41  -1.362 -18.889   9.569
  285    HE1  PHE  41           HE1      PHE  41  -2.863 -22.433   6.441
  286    HE2  PHE  41           HE2      PHE  41  -2.374 -18.273   7.390
  287    HZ   PHE  41           HZ       PHE  41  -3.124 -20.045   5.826
  288    H    MET  42           H        MET  42   1.591 -21.923   8.080
  289    HA   MET  42           HA       MET  42   2.517 -19.076   7.917
  290   1HB   MET  42          2HB       MET  42   4.241 -19.930   6.441
  291   2HB   MET  42          1HB       MET  42   3.452 -21.503   6.350
  292   1HG   MET  42          1HG       MET  42   4.355 -20.365   8.997
  293   2HG   MET  42          2HG       MET  42   4.027 -22.046   8.578
  294   1HE   MET  42          1HE       MET  42   5.641 -23.097   9.324
  295   2HE   MET  42          2HE       MET  42   6.318 -23.735   7.827
  296   3HE   MET  42          3HE       MET  42   7.383 -22.999   9.023
  297    H    CYS  43           H        CYS  43   2.029 -17.912   5.992
  298    HA   CYS  43           HA       CYS  43  -0.453 -18.392   4.719
  299   1HB   CYS  43          1HB       CYS  43   1.024 -16.291   4.894
  300   2HB   CYS  43          2HB       CYS  43   1.901 -16.939   3.509
  301    HA   PRO  44           HA       PRO  44   0.819 -21.551   1.842
  302   1HB   PRO  44          1HB       PRO  44  -1.482 -21.653   0.370
  303   2HB   PRO  44          2HB       PRO  44  -1.335 -22.378   1.981
  304   1HG   PRO  44          1HG       PRO  44  -2.618 -19.828   1.155
  305   2HG   PRO  44          2HG       PRO  44  -3.098 -20.978   2.408
  306   1HD   PRO  44          1HD       PRO  44  -1.796 -18.592   2.876
  307   2HD   PRO  44          2HD       PRO  44  -1.790 -19.980   3.983
  308    H    ALA  45           H        ALA  45   0.409 -18.277   1.199
  309    HA   ALA  45           HA       ALA  45   1.140 -18.647  -1.682
  310   1HB   ALA  45          1HB       ALA  45  -0.846 -17.014  -0.263
  311   2HB   ALA  45          2HB       ALA  45   0.122 -16.092  -1.414
  312   3HB   ALA  45          3HB       ALA  45  -0.798 -17.494  -1.959
  313    H    CYS  46           H        CYS  46   1.648 -16.667   1.245
  314    HA   CYS  46           HA       CYS  46   4.204 -15.741  -0.002
  315   1HB   CYS  46          2HB       CYS  46   2.085 -14.187   0.478
  316   2HB   CYS  46          1HB       CYS  46   3.727 -13.584   0.645
  317    H    ARG  47           H        ARG  47   3.195 -17.891   2.185
  318    HA   ARG  47           HA       ARG  47   4.226 -18.967   4.012
  319   1HB   ARG  47          1HB       ARG  47   6.144 -18.040   2.198
  320   2HB   ARG  47          2HB       ARG  47   6.770 -17.580   3.781
  321   1HG   ARG  47          1HG       ARG  47   6.673 -19.836   4.575
  322   2HG   ARG  47          2HG       ARG  47   5.713 -20.353   3.188
  323   1HD   ARG  47          1HD       ARG  47   7.682 -19.724   1.711
  324   2HD   ARG  47          2HD       ARG  47   8.627 -19.498   3.195
  325    HE   ARG  47           HE       ARG  47   7.172 -22.051   3.045
  326   1HH1  ARG  47          1HH1      ARG  47   9.388 -22.306   4.704
  327   2HH1  ARG  47          2HH1      ARG  47  10.696 -22.826   3.694
  328   1HH2  ARG  47          1HH2      ARG  47   9.155 -21.854   0.744
  329   2HH2  ARG  47          2HH2      ARG  47  10.564 -22.571   1.452
  330    H    SER  48           H        SER  48   3.280 -15.895   4.273
  331    HA   SER  48           HA       SER  48   4.851 -14.768   6.390
  332   1HB   SER  48          1HB       SER  48   2.121 -14.446   5.229
  333   2HB   SER  48          2HB       SER  48   2.400 -13.747   6.821
  334    HG   SER  48           HG       SER  48   4.118 -12.582   5.983
  335    HA   PRO  49           HA       PRO  49   3.601 -17.243   9.814
  336   1HB   PRO  49          1HB       PRO  49   3.691 -15.419  11.852
  337   2HB   PRO  49          2HB       PRO  49   5.146 -16.093  11.095
  338   1HG   PRO  49          2HG       PRO  49   5.547 -13.857  10.730
  339   2HG   PRO  49          1HG       PRO  49   3.825 -13.459  10.661
  340   1HD   PRO  49          1HD       PRO  49   4.174 -13.444   8.401
  341   2HD   PRO  49          2HD       PRO  49   5.619 -14.470   8.524
  342    H    LYS  50           H        LYS  50   1.676 -17.746  10.968
  343    HA   LYS  50           HA       LYS  50  -0.792 -16.698  10.099
  344   1HB   LYS  50          1HB       LYS  50  -0.338 -18.855  11.306
  345   2HB   LYS  50          2HB       LYS  50  -0.115 -17.927  12.791
  346   1HG   LYS  50          1HG       LYS  50  -2.461 -16.947  12.286
  347   2HG   LYS  50          2HG       LYS  50  -2.631 -18.303  11.172
  348   1HD   LYS  50          1HD       LYS  50  -2.631 -19.878  12.871
  349   2HD   LYS  50          2HD       LYS  50  -1.664 -18.868  13.947
  350   1HE   LYS  50          1HE       LYS  50  -4.476 -18.067  13.176
  351   2HE   LYS  50          2HE       LYS  50  -4.167 -19.149  14.548
  352   1HZ   LYS  50          1HZ       LYS  50  -2.530 -17.493  15.351
  353   2HZ   LYS  50          2HZ       LYS  50  -3.012 -16.440  14.112
  354   3HZ   LYS  50          3HZ       LYS  50  -4.118 -16.886  15.324
  355    H    ASN  51           H        ASN  51   1.371 -15.516  12.602
  356    HA   ASN  51           HA       ASN  51  -0.536 -13.810  13.936
  357   1HB   ASN  51          1HB       ASN  51   2.018 -14.655  14.356
  358   2HB   ASN  51          2HB       ASN  51   2.324 -13.020  13.773
  359   2HD2  ASN  51          2HD2      ASN  51   2.656 -14.035  16.567
  360   1HD2  ASN  51          1HD2      ASN  51   1.635 -13.081  17.530
  361    H    GLN  52           H        GLN  52   0.869 -13.668  10.824
  362    HA   GLN  52           HA       GLN  52   0.788 -10.726  10.616
  363   1HB   GLN  52          1HB       GLN  52   2.076 -12.918   9.353
  364   2HB   GLN  52          2HB       GLN  52   1.063 -12.161   8.126
  365   1HG   GLN  52          1HG       GLN  52   3.011 -10.669   9.909
  366   2HG   GLN  52          2HG       GLN  52   3.348 -11.157   8.249
  367   2HE2  GLN  52          2HE2      GLN  52   0.902 -10.588   6.988
  368   1HE2  GLN  52          1HE2      GLN  52   0.590  -8.922   7.077
  369    H    PHE  53           H        PHE  53  -1.512 -13.197  10.536
  370    HA   PHE  53           HA       PHE  53  -3.110 -12.064   8.315
  371   1HB   PHE  53          1HB       PHE  53  -3.369 -14.357  10.268
  372   2HB   PHE  53          2HB       PHE  53  -4.682 -13.918   9.179
  373    HD1  PHE  53           HD1      PHE  53  -0.970 -14.471   9.053
  374    HD2  PHE  53           HD2      PHE  53  -4.769 -14.991   7.117
  375    HE1  PHE  53           HE1      PHE  53   0.137 -15.714   7.214
  376    HE2  PHE  53           HE2      PHE  53  -3.662 -16.234   5.279
  377    HZ   PHE  53           HZ       PHE  53  -1.209 -16.596   5.330
  378    H    LYS  54           H        LYS  54  -4.589 -10.454   8.664
  379    HA   LYS  54           HA       LYS  54  -5.447  -9.908  11.482
  380   1HB   LYS  54          1HB       LYS  54  -4.188  -8.156  10.208
  381   2HB   LYS  54          2HB       LYS  54  -5.481  -8.146   9.008
  382   1HG   LYS  54          1HG       LYS  54  -5.990  -6.350  10.491
  383   2HG   LYS  54          2HG       LYS  54  -7.075  -7.659  10.960
  384   1HD   LYS  54          1HD       LYS  54  -6.176  -7.735  13.024
  385   2HD   LYS  54          2HD       LYS  54  -4.553  -7.908  12.355
  386   1HE   LYS  54          1HE       LYS  54  -4.164  -5.594  12.364
  387   2HE   LYS  54          2HE       LYS  54  -5.896  -5.207  12.346
  388   1HZ   LYS  54          1HZ       LYS  54  -6.084  -6.206  14.556
  389   2HZ   LYS  54          2HZ       LYS  54  -4.417  -6.517  14.574
  390   3HZ   LYS  54          3HZ       LYS  54  -4.981  -4.915  14.567
  391    H    SER  55           H        SER  55  -7.621 -10.119  11.961
  392    HA   SER  55           HA       SER  55  -9.416 -11.418  10.158
  393   1HB   SER  55          2HB       SER  55  -9.563 -11.487  12.603
  394   2HB   SER  55          1HB       SER  55 -11.072 -10.907  11.921
  395    HG   SER  55           HG       SER  55 -10.762  -9.289  13.215
  396    H    ILE  56           H        ILE  56 -11.694 -10.339   9.866
  397    HA   ILE  56           HA       ILE  56 -11.543  -7.468   9.127
  398    HB   ILE  56           HB       ILE  56 -12.250  -8.020   6.794
  399   1HG1  ILE  56          1HG1      ILE  56 -11.372 -10.759   6.767
  400   2HG1  ILE  56          2HG1      ILE  56 -12.666 -10.578   7.951
  401   1HG2  ILE  56          1HG2      ILE  56  -9.800  -7.787   7.615
  402   2HG2  ILE  56          2HG2      ILE  56  -9.721  -9.537   7.420
  403   3HG2  ILE  56          3HG2      ILE  56 -10.072  -8.510   6.031
  404   1HD1  ILE  56          1HD1      ILE  56 -12.955  -9.304   5.245
  405   2HD1  ILE  56          2HD1      ILE  56 -13.267 -11.030   5.429
  406   3HD1  ILE  56          3HD1      ILE  56 -14.209  -9.861   6.353
  407    H    LYS  57           H        LYS  57 -13.169  -7.636  10.975
  408    HA   LYS  57           HA       LYS  57 -15.803  -8.770  10.162
  409   1HB   LYS  57          1HB       LYS  57 -14.534  -7.808  12.731
  410   2HB   LYS  57          2HB       LYS  57 -16.263  -8.143  12.629
  411   1HG   LYS  57          1HG       LYS  57 -15.642 -10.432  11.709
  412   2HG   LYS  57          2HG       LYS  57 -13.977 -10.070  12.158
  413   1HD   LYS  57          1HD       LYS  57 -14.486 -10.002  14.460
  414   2HD   LYS  57          2HD       LYS  57 -16.212  -9.797  14.163
  415   1HE   LYS  57          1HE       LYS  57 -16.553 -12.049  13.925
  416   2HE   LYS  57          2HE       LYS  57 -15.034 -12.277  13.038
  417   1HZ   LYS  57          1HZ       LYS  57 -15.201 -11.662  15.944
  418   2HZ   LYS  57          2HZ       LYS  57 -15.011 -13.230  15.324
  419   3HZ   LYS  57          3HZ       LYS  57 -13.803 -12.063  15.063
  420    H    LYS  58           H        LYS  58 -15.543  -6.731   8.547
  421    HA   LYS  58           HA       LYS  58 -16.228  -4.138   9.742
  422   1HB   LYS  58          1HB       LYS  58 -15.335  -5.267   7.227
  423   2HB   LYS  58          2HB       LYS  58 -16.677  -4.157   6.954
  424   1HG   LYS  58          1HG       LYS  58 -15.456  -2.337   7.572
  425   2HG   LYS  58          2HG       LYS  58 -14.661  -3.200   8.889
  426   1HD   LYS  58          1HD       LYS  58 -13.066  -4.181   7.415
  427   2HD   LYS  58          2HD       LYS  58 -13.998  -3.732   5.987
  428   1HE   LYS  58          1HE       LYS  58 -12.036  -2.222   6.330
  429   2HE   LYS  58          2HE       LYS  58 -13.568  -1.337   6.461
  430   1HZ   LYS  58          1HZ       LYS  58 -12.208  -2.589   8.786
  431   2HZ   LYS  58          2HZ       LYS  58 -11.953  -0.969   8.341
  432   3HZ   LYS  58          3HZ       LYS  58 -13.498  -1.484   8.811
  433    H    VAL  59           H        VAL  59 -18.304  -3.589  10.282
  434    HA   VAL  59           HA       VAL  59 -20.552  -4.692   8.649
  435    HB   VAL  59           HB       VAL  59 -20.394  -4.639  11.681
  436   1HG1  VAL  59          1HG1      VAL  59 -22.590  -4.794   9.880
  437   2HG1  VAL  59          2HG1      VAL  59 -22.374  -6.403  10.572
  438   3HG1  VAL  59          3HG1      VAL  59 -22.612  -5.012  11.631
  439   1HG2  VAL  59          1HG2      VAL  59 -19.854  -6.772   9.632
  440   2HG2  VAL  59          2HG2      VAL  59 -18.954  -6.390  11.101
  441   3HG2  VAL  59          3HG2      VAL  59 -20.506  -7.220  11.208
  442    H    ILE  60           H        ILE  60 -21.728  -2.943   7.965
  443    HA   ILE  60           HA       ILE  60 -22.247  -0.719   9.879
  444    HB   ILE  60           HB       ILE  60 -20.247  -0.099   8.621
  445   1HG1  ILE  60          2HG1      ILE  60 -22.774   1.304   8.443
  446   2HG1  ILE  60          1HG1      ILE  60 -21.774   1.659   7.036
  447   1HG2  ILE  60          1HG2      ILE  60 -20.791  -1.688   6.708
  448   2HG2  ILE  60          2HG2      ILE  60 -21.890  -0.449   6.103
  449   3HG2  ILE  60          3HG2      ILE  60 -20.164  -0.113   6.223
  450   1HD1  ILE  60          1HD1      ILE  60 -19.896   1.841   8.967
  451   2HD1  ILE  60          2HD1      ILE  60 -20.872   3.218   8.458
  452   3HD1  ILE  60          3HD1      ILE  60 -21.317   2.308   9.902
  453    H    ALA  61           H        ALA  61 -24.315   0.121   9.616
  454    HA   ALA  61           HA       ALA  61 -26.234  -1.281   7.991
  455   1HB   ALA  61          3HB       ALA  61 -27.527  -0.229   9.514
  456   2HB   ALA  61          2HB       ALA  61 -27.137   1.326   8.777
  457   3HB   ALA  61          1HB       ALA  61 -26.121   0.680  10.065
  458    H    GLY  62           H        GLY  62 -25.466  -1.119   5.786
  459   1HA   GLY  62          1HA       GLY  62 -25.548   1.639   4.637
  460   2HA   GLY  62          2HA       GLY  62 -24.646   0.299   3.929
  461    H    PHE  63           H        PHE  63 -26.215  -1.705   3.518
  462    HA   PHE  63           HA       PHE  63 -28.042  -0.963   1.466
  463   1HB   PHE  63          1HB       PHE  63 -26.863  -3.253   2.489
  464   2HB   PHE  63          2HB       PHE  63 -28.576  -3.514   2.818
  465    HD1  PHE  63           HD1      PHE  63 -30.197  -2.844   0.809
  466    HD2  PHE  63           HD2      PHE  63 -26.041  -3.848   0.389
  467    HE1  PHE  63           HE1      PHE  63 -30.571  -3.396  -1.580
  468    HE2  PHE  63           HE2      PHE  63 -26.416  -4.401  -1.999
  469    HZ   PHE  63           HZ       PHE  63 -28.679  -4.174  -2.984
  470    H    ALA  64           H        ALA  64 -30.357  -0.949   1.454
  471    HA   ALA  64           HA       ALA  64 -31.962  -1.425   3.817
  472   1HB   ALA  64          3HB       ALA  64 -32.278   0.795   4.564
  473   2HB   ALA  64          1HB       ALA  64 -30.550   0.731   4.213
  474   3HB   ALA  64          2HB       ALA  64 -31.657   1.481   3.063
  475    H    GLU  65           H        GLU  65 -34.150  -1.480   3.226
  476    HA   GLU  65           HA       GLU  65 -34.883  -0.344   0.552
  477   1HB   GLU  65          1HB       GLU  65 -34.339  -2.779   0.448
  478   2HB   GLU  65          2HB       GLU  65 -35.589  -3.084   1.655
  479   1HG   GLU  65          1HG       GLU  65 -37.289  -2.131   0.145
  480   2HG   GLU  65          2HG       GLU  65 -36.042  -1.807  -1.060
  481    H    ASN  66           H        ASN  66 -36.749   0.840   0.679
  482    HA   ASN  66           HA       ASN  66 -38.805   0.145   2.713
  483   1HB   ASN  66          1HB       ASN  66 -37.022   1.799   3.569
  484   2HB   ASN  66          2HB       ASN  66 -37.710   2.950   2.423
  485   2HD2  ASN  66          2HD2      ASN  66 -38.270   4.155   4.535
  486   1HD2  ASN  66          1HD2      ASN  66 -39.715   3.735   5.320
  487    H    GLN  67           H        GLN  67 -39.058  -0.242  -0.029
  488    HA   GLN  67           HA       GLN  67 -41.213   1.682  -0.688
  489   1HB   GLN  67          1HB       GLN  67 -38.530   1.777  -1.735
  490   2HB   GLN  67          2HB       GLN  67 -39.646   1.380  -3.041
  491   1HG   GLN  67          1HG       GLN  67 -40.649   3.425  -2.976
  492   2HG   GLN  67          2HG       GLN  67 -40.573   3.514  -1.216
  493   2HE2  GLN  67          2HE2      GLN  67 -39.798   5.670  -3.082
  494   1HE2  GLN  67          1HE2      GLN  67 -38.148   5.970  -2.818
  495    H    LYS  68           H        LYS  68 -41.270  -1.124  -0.015
  496    HA   LYS  68           HA       LYS  68 -41.287  -2.875  -2.268
  497   1HB   LYS  68          1HB       LYS  68 -42.586  -2.766   0.444
  498   2HB   LYS  68          2HB       LYS  68 -43.001  -4.068  -0.670
  499   1HG   LYS  68          1HG       LYS  68 -41.117  -5.141  -0.068
  500   2HG   LYS  68          2HG       LYS  68 -40.175  -3.808  -0.736
  501   1HD   LYS  68          1HD       LYS  68 -39.634  -3.053   1.322
  502   2HD   LYS  68          2HD       LYS  68 -41.313  -3.120   1.858
  503   1HE   LYS  68          1HE       LYS  68 -41.124  -5.400   2.521
  504   2HE   LYS  68          2HE       LYS  68 -39.617  -5.619   1.613
  505   1HZ   LYS  68          1HZ       LYS  68 -38.662  -3.819   3.041
  506   2HZ   LYS  68          2HZ       LYS  68 -40.060  -3.909   4.004
  507   3HZ   LYS  68          3HZ       LYS  68 -39.025  -5.250   3.878
  508    H    TYR  69           H        TYR  69 -43.887  -0.887  -0.831
  509    HA   TYR  69           HA       TYR  69 -45.862  -1.767  -2.807
  510   1HB   TYR  69          1HB       TYR  69 -46.117  -0.977  -0.330
  511   2HB   TYR  69          2HB       TYR  69 -46.050   0.648  -1.013
  512    HD1  TYR  69           HD1      TYR  69 -47.605   1.021  -3.141
  513    HD2  TYR  69           HD2      TYR  69 -48.192  -2.027  -0.172
  514    HE1  TYR  69           HE1      TYR  69 -49.992   0.847  -3.791
  515    HE2  TYR  69           HE2      TYR  69 -50.579  -2.201  -0.823
  516    HH   TYR  69           HH       TYR  69 -51.812  -0.818  -3.668
  517    H    GLY  70           H        GLY  70 -46.339  -0.730  -4.726
  518   1HA   GLY  70          1HA       GLY  70 -45.908   2.050  -5.235
  519   2HA   GLY  70          2HA       GLY  70 -44.558   1.131  -5.902

  No H/Q in entry =         519
  Start of MODEL   15
    1    H1   MET   1          1H        MET   1 -16.981  -1.568   4.487
    2    H2   MET   1          2H        MET   1 -17.022  -1.272   2.815
    3    H3   MET   1          3H        MET   1 -18.334  -0.815   3.793
    4    HA   MET   1           HA       MET   1 -18.931  -2.813   2.615
    5   1HB   MET   1          1HB       MET   1 -16.129  -3.264   3.167
    6   2HB   MET   1          2HB       MET   1 -17.075  -4.657   3.694
    7   1HG   MET   1          1HG       MET   1 -18.247  -4.521   1.413
    8   2HG   MET   1          2HG       MET   1 -16.956  -3.418   0.938
    9   1HE   MET   1          1HE       MET   1 -16.144  -4.473  -0.819
   10   2HE   MET   1          2HE       MET   1 -15.240  -5.989  -0.924
   11   3HE   MET   1          3HE       MET   1 -17.001  -6.009  -0.935
   12    H    GLU   2           H        GLU   2 -20.230  -4.416   3.688
   13    HA   GLU   2           HA       GLU   2 -20.275  -4.144   6.676
   14   1HB   GLU   2          1HB       GLU   2 -22.167  -3.312   5.064
   15   2HB   GLU   2          2HB       GLU   2 -22.577  -5.022   4.945
   16   1HG   GLU   2          1HG       GLU   2 -22.117  -4.058   7.700
   17   2HG   GLU   2          2HG       GLU   2 -23.519  -3.352   6.896
   18    H    ILE   3           H        ILE   3 -18.637  -5.989   6.621
   19    HA   ILE   3           HA       ILE   3 -20.089  -8.605   6.438
   20    HB   ILE   3           HB       ILE   3 -17.236  -8.077   5.553
   21   1HG1  ILE   3          1HG1      ILE   3 -19.713  -8.436   3.837
   22   2HG1  ILE   3          2HG1      ILE   3 -18.915  -6.891   4.125
   23   1HG2  ILE   3          1HG2      ILE   3 -19.110 -10.441   5.443
   24   2HG2  ILE   3          2HG2      ILE   3 -17.723 -10.314   4.363
   25   3HG2  ILE   3          3HG2      ILE   3 -17.478 -10.368   6.108
   26   1HD1  ILE   3          1HD1      ILE   3 -16.779  -8.000   3.250
   27   2HD1  ILE   3          2HD1      ILE   3 -17.814  -9.314   2.689
   28   3HD1  ILE   3          3HD1      ILE   3 -18.036  -7.683   2.054
   29    H    ASP   4           H        ASP   4 -18.896 -10.322   7.724
   30    HA   ASP   4           HA       ASP   4 -16.811  -9.778   9.564
   31   1HB   ASP   4          1HB       ASP   4 -18.216  -9.526  11.621
   32   2HB   ASP   4          2HB       ASP   4 -18.329  -8.142  10.537
   33    H    GLU   5           H        GLU   5 -16.164 -11.834   9.658
   34    HA   GLU   5           HA       GLU   5 -17.886 -13.903  10.841
   35   1HB   GLU   5          1HB       GLU   5 -18.029 -13.551   8.140
   36   2HB   GLU   5          2HB       GLU   5 -16.703 -14.708   8.241
   37   1HG   GLU   5          1HG       GLU   5 -18.228 -16.052   9.823
   38   2HG   GLU   5          2HG       GLU   5 -19.535 -15.018   9.246
   39    H    GLY   6           H        GLY   6 -16.134 -16.031   9.705
   40   1HA   GLY   6          1HA       GLY   6 -13.776 -15.505  11.435
   41   2HA   GLY   6          2HA       GLY   6 -14.301 -17.094  10.889
   42    H    LYS   7           H        LYS   7 -14.279 -14.577   8.512
   43    HA   LYS   7           HA       LYS   7 -12.181 -15.980   7.005
   44   1HB   LYS   7          1HB       LYS   7 -14.185 -13.807   6.610
   45   2HB   LYS   7          2HB       LYS   7 -12.770 -13.779   5.558
   46   1HG   LYS   7          1HG       LYS   7 -13.223 -16.215   5.042
   47   2HG   LYS   7          2HG       LYS   7 -14.747 -16.047   5.913
   48   1HD   LYS   7          1HD       LYS   7 -15.096 -13.975   4.332
   49   2HD   LYS   7          2HD       LYS   7 -13.896 -14.783   3.323
   50   1HE   LYS   7          1HE       LYS   7 -15.287 -16.635   2.933
   51   2HE   LYS   7          2HE       LYS   7 -16.254 -16.336   4.389
   52   1HZ   LYS   7          1HZ       LYS   7 -16.110 -14.501   2.052
   53   2HZ   LYS   7          2HZ       LYS   7 -17.371 -15.607   2.317
   54   3HZ   LYS   7          3HZ       LYS   7 -17.112 -14.332   3.410
   55    H    TYR   8           H        TYR   8 -10.046 -15.283   6.818
   56    HA   TYR   8           HA       TYR   8  -9.359 -12.695   8.173
   57   1HB   TYR   8          1HB       TYR   8  -8.138 -15.441   8.214
   58   2HB   TYR   8          2HB       TYR   8  -7.126 -14.036   8.534
   59    HD1  TYR   8           HD1      TYR   8 -10.497 -15.368   9.490
   60    HD2  TYR   8           HD2      TYR   8  -6.923 -13.358  10.756
   61    HE1  TYR   8           HE1      TYR   8 -11.376 -15.287  11.804
   62    HE2  TYR   8           HE2      TYR   8  -7.798 -13.276  13.078
   63    HH   TYR   8           HH       TYR   8 -10.723 -13.484  13.950
   64    H    GLU   9           H        GLU   9  -7.758 -11.419   7.173
   65    HA   GLU   9           HA       GLU   9  -6.980 -12.272   4.404
   66   1HB   GLU   9          1HB       GLU   9  -8.653 -10.448   4.531
   67   2HB   GLU   9          2HB       GLU   9  -7.551  -9.516   5.547
   68   1HG   GLU   9          1HG       GLU   9  -6.297 -10.467   3.072
   69   2HG   GLU   9          2HG       GLU   9  -7.668  -9.397   2.782
   70    H    CYS  10           H        CYS  10  -4.779 -12.409   4.106
   71    HA   CYS  10           HA       CYS  10  -2.895 -11.894   6.210
   72   1HB   CYS  10          1HB       CYS  10  -2.826 -13.411   4.084
   73   2HB   CYS  10          2HB       CYS  10  -2.254 -11.962   3.278
   74    H    GLU  11           H        GLU  11  -2.563  -9.793   6.914
   75    HA   GLU  11           HA       GLU  11  -2.887  -7.457   5.257
   76   1HB   GLU  11          1HB       GLU  11  -2.180  -8.207   7.968
   77   2HB   GLU  11          2HB       GLU  11  -1.129  -6.913   7.395
   78   1HG   GLU  11          1HG       GLU  11  -3.713  -6.225   6.508
   79   2HG   GLU  11          2HG       GLU  11  -3.925  -6.795   8.163
   80    H    ALA  12           H        ALA  12  -0.413  -9.820   5.439
   81    HA   ALA  12           HA       ALA  12   1.810  -8.057   4.708
   82   1HB   ALA  12          1HB       ALA  12   1.296 -10.921   5.332
   83   2HB   ALA  12          2HB       ALA  12   2.712 -10.569   4.340
   84   3HB   ALA  12          3HB       ALA  12   2.555  -9.846   5.941
   85    H    CYS  13           H        CYS  13  -0.239 -10.493   2.998
   86    HA   CYS  13           HA       CYS  13   0.974  -9.433   0.470
   87   1HB   CYS  13          1HB       CYS  13   1.066 -11.652  -0.373
   88   2HB   CYS  13          2HB       CYS  13   1.621 -11.776   1.292
   89    H    GLY  14           H        GLY  14  -1.992 -10.580   2.031
   90   1HA   GLY  14          1HA       GLY  14  -4.069  -9.349   1.399
   91   2HA   GLY  14          2HA       GLY  14  -3.499  -9.392  -0.268
   92    H    TYR  15           H        TYR  15  -2.988 -12.247   1.592
   93    HA   TYR  15           HA       TYR  15  -4.707 -13.817  -0.158
   94   1HB   TYR  15          1HB       TYR  15  -2.599 -14.695   0.664
   95   2HB   TYR  15          2HB       TYR  15  -3.067 -14.386   2.335
   96    HD1  TYR  15           HD1      TYR  15  -4.764 -15.770   3.451
   97    HD2  TYR  15           HD2      TYR  15  -3.493 -16.600  -0.567
   98    HE1  TYR  15           HE1      TYR  15  -5.807 -18.014   3.587
   99    HE2  TYR  15           HE2      TYR  15  -4.534 -18.848  -0.432
  100    HH   TYR  15           HH       TYR  15  -5.901 -20.061   2.586
  101    H    ILE  16           H        ILE  16  -6.376 -15.337   0.869
  102    HA   ILE  16           HA       ILE  16  -7.771 -14.013   3.170
  103    HB   ILE  16           HB       ILE  16  -8.880 -15.081   0.557
  104   1HG1  ILE  16          1HG1      ILE  16  -7.803 -12.831   0.511
  105   2HG1  ILE  16          2HG1      ILE  16  -9.531 -12.765   0.168
  106   1HG2  ILE  16          1HG2      ILE  16 -10.317 -15.572   2.574
  107   2HG2  ILE  16          2HG2      ILE  16 -10.402 -13.835   2.862
  108   3HG2  ILE  16          3HG2      ILE  16 -11.079 -14.517   1.384
  109   1HD1  ILE  16          1HD1      ILE  16  -9.076 -12.571   3.018
  110   2HD1  ILE  16          2HD1      ILE  16  -8.130 -11.347   2.171
  111   3HD1  ILE  16          3HD1      ILE  16  -9.878 -11.423   1.947
  112    H    TYR  17           H        TYR  17  -7.930 -15.471   4.810
  113    HA   TYR  17           HA       TYR  17  -7.696 -18.369   4.271
  114   1HB   TYR  17          1HB       TYR  17  -6.404 -17.433   6.087
  115   2HB   TYR  17          2HB       TYR  17  -7.825 -16.635   6.757
  116    HD1  TYR  17           HD1      TYR  17  -6.671 -20.069   5.770
  117    HD2  TYR  17           HD2      TYR  17  -8.946 -17.684   8.534
  118    HE1  TYR  17           HE1      TYR  17  -7.178 -22.096   7.105
  119    HE2  TYR  17           HE2      TYR  17  -9.458 -19.717   9.861
  120    HH   TYR  17           HH       TYR  17  -8.942 -22.845   8.706
  121    H    GLU  18           H        GLU  18  -9.373 -19.839   4.604
  122    HA   GLU  18           HA       GLU  18 -12.057 -18.694   5.306
  123   1HB   GLU  18          2HB       GLU  18 -12.936 -20.308   3.645
  124   2HB   GLU  18          1HB       GLU  18 -11.294 -20.871   3.332
  125   1HG   GLU  18          1HG       GLU  18 -12.289 -18.035   2.911
  126   2HG   GLU  18          2HG       GLU  18 -10.653 -18.611   2.585
  127    HA   PRO  19           HA       PRO  19 -11.412 -21.888   8.434
  128   1HB   PRO  19          1HB       PRO  19 -13.532 -21.169  10.008
  129   2HB   PRO  19          2HB       PRO  19 -11.964 -20.357  10.045
  130   1HG   PRO  19          1HG       PRO  19 -14.491 -19.502   8.750
  131   2HG   PRO  19          2HG       PRO  19 -13.254 -18.542   9.559
  132   1HD   PRO  19          1HD       PRO  19 -13.500 -18.767   6.830
  133   2HD   PRO  19          2HD       PRO  19 -11.992 -18.349   7.669
  134    H    GLU  20           H        GLU  20 -14.847 -21.125   7.960
  135    HA   GLU  20           HA       GLU  20 -16.002 -23.618   8.234
  136   1HB   GLU  20          1HB       GLU  20 -16.559 -21.101   6.847
  137   2HB   GLU  20          2HB       GLU  20 -17.356 -22.479   6.089
  138   1HG   GLU  20          1HG       GLU  20 -18.162 -23.139   8.411
  139   2HG   GLU  20          2HG       GLU  20 -17.583 -21.568   8.967
  140    H    LYS  21           H        LYS  21 -14.098 -22.487   5.501
  141    HA   LYS  21           HA       LYS  21 -14.768 -24.908   3.916
  142   1HB   LYS  21          1HB       LYS  21 -13.854 -22.179   3.472
  143   2HB   LYS  21          2HB       LYS  21 -12.859 -23.338   2.594
  144   1HG   LYS  21          1HG       LYS  21 -14.818 -24.293   1.525
  145   2HG   LYS  21          2HG       LYS  21 -15.890 -23.300   2.513
  146   1HD   LYS  21          1HD       LYS  21 -14.973 -21.264   1.488
  147   2HD   LYS  21          2HD       LYS  21 -13.854 -22.234   0.532
  148   1HE   LYS  21          1HE       LYS  21 -15.596 -21.949  -1.004
  149   2HE   LYS  21          2HE       LYS  21 -16.114 -23.452  -0.217
  150   1HZ   LYS  21          1HZ       LYS  21 -16.818 -20.808   0.908
  151   2HZ   LYS  21          2HZ       LYS  21 -17.773 -21.508  -0.306
  152   3HZ   LYS  21          3HZ       LYS  21 -17.567 -22.309   1.179
  153    H    GLY  22           H        GLY  22 -11.989 -23.326   5.462
  154   1HA   GLY  22          1HA       GLY  22 -10.164 -24.519   6.480
  155   2HA   GLY  22          2HA       GLY  22 -10.632 -25.954   5.570
  156    H    ASP  23           H        ASP  23  -7.995 -24.584   5.783
  157    HA   ASP  23           HA       ASP  23  -7.501 -23.436   3.122
  158   1HB   ASP  23          1HB       ASP  23  -6.424 -23.145   5.626
  159   2HB   ASP  23          2HB       ASP  23  -5.255 -24.232   4.875
  160    H    LYS  24           H        LYS  24  -8.465 -25.782   2.452
  161    HA   LYS  24           HA       LYS  24  -7.091 -28.183   2.572
  162   1HB   LYS  24          1HB       LYS  24  -8.996 -26.863   0.878
  163   2HB   LYS  24          2HB       LYS  24  -7.880 -27.780  -0.133
  164   1HG   LYS  24          1HG       LYS  24  -8.329 -29.812   1.092
  165   2HG   LYS  24          2HG       LYS  24  -9.256 -28.934   2.308
  166   1HD   LYS  24          2HD       LYS  24 -10.775 -28.206   0.347
  167   2HD   LYS  24          1HD       LYS  24 -10.903 -29.879   0.891
  168   1HE   LYS  24          1HE       LYS  24  -9.359 -28.856  -1.519
  169   2HE   LYS  24          2HE       LYS  24  -9.262 -30.522  -0.916
  170   1HZ   LYS  24          1HZ       LYS  24 -11.764 -30.512  -0.990
  171   2HZ   LYS  24          2HZ       LYS  24 -11.666 -29.067  -1.878
  172   3HZ   LYS  24          3HZ       LYS  24 -11.000 -30.494  -2.508
  173    H    PHE  25           H        PHE  25  -6.097 -25.288   0.836
  174    HA   PHE  25           HA       PHE  25  -4.083 -26.596  -0.809
  175   1HB   PHE  25          1HB       PHE  25  -5.357 -24.234  -0.877
  176   2HB   PHE  25          2HB       PHE  25  -3.906 -23.721  -0.016
  177    HD1  PHE  25           HD1      PHE  25  -1.620 -24.423  -1.031
  178    HD2  PHE  25           HD2      PHE  25  -5.318 -24.472  -3.217
  179    HE1  PHE  25           HE1      PHE  25  -0.358 -24.404  -3.166
  180    HE2  PHE  25           HE2      PHE  25  -4.055 -24.453  -5.352
  181    HZ   PHE  25           HZ       PHE  25  -1.575 -24.419  -5.326
  182    H    ALA  26           H        ALA  26  -4.190 -25.256   2.433
  183    HA   ALA  26           HA       ALA  26  -1.233 -25.470   2.716
  184   1HB   ALA  26          3HB       ALA  26  -1.858 -23.505   3.728
  185   2HB   ALA  26          1HB       ALA  26  -3.500 -24.071   4.032
  186   3HB   ALA  26          2HB       ALA  26  -2.186 -24.566   5.098
  187    H    GLY  27           H        GLY  27  -4.201 -27.084   3.594
  188   1HA   GLY  27          1HA       GLY  27  -3.929 -29.500   4.206
  189   2HA   GLY  27          2HA       GLY  27  -2.611 -28.993   5.261
  190    H    ILE  28           H        ILE  28  -5.457 -26.986   5.071
  191    HA   ILE  28           HA       ILE  28  -6.209 -27.915   7.819
  192    HB   ILE  28           HB       ILE  28  -6.325 -25.232   6.417
  193   1HG1  ILE  28          1HG1      ILE  28  -5.002 -25.617   9.040
  194   2HG1  ILE  28          2HG1      ILE  28  -4.231 -26.413   7.669
  195   1HG2  ILE  28          1HG2      ILE  28  -8.318 -25.750   7.948
  196   2HG2  ILE  28          2HG2      ILE  28  -7.155 -25.797   9.271
  197   3HG2  ILE  28          3HG2      ILE  28  -7.384 -24.311   8.351
  198   1HD1  ILE  28          1HD1      ILE  28  -5.081 -23.703   7.009
  199   2HD1  ILE  28          2HD1      ILE  28  -3.963 -23.725   8.373
  200   3HD1  ILE  28          3HD1      ILE  28  -3.493 -24.449   6.835
  201    HA   PRO  29           HA       PRO  29  -9.909 -29.116   5.514
  202   1HB   PRO  29          1HB       PRO  29 -11.155 -30.333   7.636
  203   2HB   PRO  29          2HB       PRO  29  -9.890 -31.119   6.673
  204   1HG   PRO  29          1HG       PRO  29  -9.690 -29.748   9.319
  205   2HG   PRO  29          2HG       PRO  29  -8.942 -31.259   8.776
  206   1HD   PRO  29          1HD       PRO  29  -7.590 -28.915   8.887
  207   2HD   PRO  29          2HD       PRO  29  -7.238 -30.165   7.674
  208    HA   PRO  30           HA       PRO  30 -12.837 -26.034   6.681
  209   1HB   PRO  30          1HB       PRO  30 -15.255 -27.317   6.719
  210   2HB   PRO  30          2HB       PRO  30 -14.392 -26.926   5.218
  211   1HG   PRO  30          2HG       PRO  30 -14.626 -29.221   4.994
  212   2HG   PRO  30          1HG       PRO  30 -14.495 -29.494   6.739
  213   1HD   PRO  30          1HD       PRO  30 -12.335 -30.068   6.137
  214   2HD   PRO  30          2HD       PRO  30 -12.333 -28.977   4.734
  215    H    GLY  31           H        GLY  31 -15.102 -26.088   8.247
  216   1HA   GLY  31          1HA       GLY  31 -15.680 -25.882  10.524
  217   2HA   GLY  31          2HA       GLY  31 -15.176 -27.569  10.609
  218    H    THR  32           H        THR  32 -13.011 -24.882   9.813
  219    HA   THR  32           HA       THR  32 -11.708 -25.211  12.492
  220    HB   THR  32           HB       THR  32 -10.242 -24.963   9.857
  221    HG1  THR  32           HG1      THR  32  -9.946 -27.290  10.218
  222   1HG2  THR  32          1HG2      THR  32  -9.487 -25.807  12.662
  223   2HG2  THR  32          2HG2      THR  32  -8.440 -26.055  11.264
  224   3HG2  THR  32          3HG2      THR  32  -8.880 -24.420  11.758
  225    HA   PRO  33           HA       PRO  33 -12.192 -20.749  11.892
  226   1HB   PRO  33          1HB       PRO  33 -11.737 -20.082  14.507
  227   2HB   PRO  33          2HB       PRO  33 -13.310 -20.643  13.910
  228   1HG   PRO  33          2HG       PRO  33 -12.950 -22.229  15.537
  229   2HG   PRO  33          1HG       PRO  33 -11.190 -22.139  15.376
  230   1HD   PRO  33          1HD       PRO  33 -11.459 -24.066  14.171
  231   2HD   PRO  33          2HD       PRO  33 -13.158 -23.707  13.798
  232    H    PHE  34           H        PHE  34 -10.609 -19.086  11.739
  233    HA   PHE  34           HA       PHE  34  -7.914 -19.779  11.331
  234   1HB   PHE  34          1HB       PHE  34  -8.844 -17.748  10.465
  235   2HB   PHE  34          2HB       PHE  34  -9.324 -17.199  12.063
  236    HD1  PHE  34           HD1      PHE  34  -6.509 -17.650   9.733
  237    HD2  PHE  34           HD2      PHE  34  -7.688 -16.256  13.620
  238    HE1  PHE  34           HE1      PHE  34  -4.327 -16.497   9.980
  239    HE2  PHE  34           HE2      PHE  34  -5.506 -15.102  13.868
  240    HZ   PHE  34           HZ       PHE  34  -3.826 -15.223  12.048
  241    H    VAL  35           H        VAL  35  -9.594 -19.101  14.325
  242    HA   VAL  35           HA       VAL  35  -7.255 -18.530  15.939
  243    HB   VAL  35           HB       VAL  35  -8.901 -18.929  17.778
  244   1HG1  VAL  35          1HG1      VAL  35  -9.888 -17.331  15.396
  245   2HG1  VAL  35          2HG1      VAL  35 -10.535 -17.184  17.031
  246   3HG1  VAL  35          3HG1      VAL  35  -8.860 -16.742  16.703
  247   1HG2  VAL  35          1HG2      VAL  35 -10.194 -20.416  15.641
  248   2HG2  VAL  35          2HG2      VAL  35 -10.518 -20.450  17.374
  249   3HG2  VAL  35          3HG2      VAL  35 -11.296 -19.238  16.355
  250    H    ASP  36           H        ASP  36  -8.619 -21.441  14.644
  251    HA   ASP  36           HA       ASP  36  -7.257 -23.154  16.661
  252   1HB   ASP  36          1HB       ASP  36  -9.628 -23.265  15.138
  253   2HB   ASP  36          2HB       ASP  36  -8.579 -24.516  14.470
  254    H    LEU  37           H        LEU  37  -6.377 -21.614  13.828
  255    HA   LEU  37           HA       LEU  37  -5.168 -23.529  12.171
  256   1HB   LEU  37          1HB       LEU  37  -4.511 -20.708  13.007
  257   2HB   LEU  37          2HB       LEU  37  -3.472 -21.560  11.866
  258    HG   LEU  37           HG       LEU  37  -6.454 -21.101  11.539
  259   1HD1  LEU  37          1HD1      LEU  37  -5.020 -19.081  11.233
  260   2HD1  LEU  37          2HD1      LEU  37  -4.092 -19.959  10.017
  261   3HD1  LEU  37          3HD1      LEU  37  -5.794 -19.591   9.733
  262   1HD2  LEU  37          1HD2      LEU  37  -4.443 -22.770  10.109
  263   2HD2  LEU  37          2HD2      LEU  37  -6.173 -23.030  10.317
  264   3HD2  LEU  37          3HD2      LEU  37  -5.594 -21.880   9.112
  265    H    SER  38           H        SER  38  -2.751 -24.007  12.045
  266    HA   SER  38           HA       SER  38  -1.802 -25.358  14.344
  267   1HB   SER  38          1HB       SER  38  -0.539 -24.248  11.837
  268   2HB   SER  38          2HB       SER  38   0.424 -25.123  13.026
  269    HG   SER  38           HG       SER  38  -1.160 -26.111  11.150
  270    H    ASP  39           H        ASP  39   0.408 -24.758  15.396
  271    HA   ASP  39           HA       ASP  39   0.116 -22.269  16.823
  272   1HB   ASP  39          1HB       ASP  39   1.868 -24.630  16.720
  273   2HB   ASP  39          2HB       ASP  39   2.704 -23.160  17.217
  274    H    SER  40           H        SER  40   1.898 -23.226  13.944
  275    HA   SER  40           HA       SER  40   2.866 -20.401  13.683
  276   1HB   SER  40          1HB       SER  40   4.985 -21.388  12.791
  277   2HB   SER  40          2HB       SER  40   4.685 -21.843  14.467
  278    HG   SER  40           HG       SER  40   4.492 -23.372  12.132
  279    H    PHE  41           H        PHE  41   0.516 -21.361  12.444
  280    HA   PHE  41           HA       PHE  41   0.759 -22.530   9.890
  281   1HB   PHE  41          1HB       PHE  41  -1.393 -22.179  10.825
  282   2HB   PHE  41          2HB       PHE  41  -1.078 -20.485  11.143
  283    HD1  PHE  41           HD1      PHE  41  -1.764 -22.971   8.470
  284    HD2  PHE  41           HD2      PHE  41  -1.428 -18.804   9.462
  285    HE1  PHE  41           HE1      PHE  41  -2.768 -22.368   6.285
  286    HE2  PHE  41           HE2      PHE  41  -2.433 -18.203   7.277
  287    HZ   PHE  41           HZ       PHE  41  -3.102 -19.986   5.688
  288    H    MET  42           H        MET  42   1.661 -21.808   7.996
  289    HA   MET  42           HA       MET  42   2.569 -18.955   7.877
  290   1HB   MET  42          2HB       MET  42   4.282 -19.777   6.378
  291   2HB   MET  42          1HB       MET  42   3.480 -21.338   6.232
  292   1HG   MET  42          2HG       MET  42   3.985 -20.685   9.019
  293   2HG   MET  42          1HG       MET  42   5.478 -20.635   8.084
  294   1HE   MET  42          1HE       MET  42   5.806 -22.105   6.210
  295   2HE   MET  42          2HE       MET  42   5.988 -23.834   6.491
  296   3HE   MET  42          3HE       MET  42   4.521 -23.222   5.731
  297    H    CYS  43           H        CYS  43   2.116 -17.768   5.947
  298    HA   CYS  43           HA       CYS  43  -0.400 -18.261   4.695
  299   1HB   CYS  43          1HB       CYS  43   0.946 -16.108   4.996
  300   2HB   CYS  43          2HB       CYS  43   1.896 -16.632   3.607
  301    HA   PRO  44           HA       PRO  44   0.999 -21.171   1.622
  302   1HB   PRO  44          1HB       PRO  44  -1.290 -21.249   0.127
  303   2HB   PRO  44          2HB       PRO  44  -1.126 -22.083   1.684
  304   1HG   PRO  44          2HG       PRO  44  -2.939 -20.780   2.195
  305   2HG   PRO  44          1HG       PRO  44  -2.494 -19.527   1.030
  306   1HD   PRO  44          1HD       PRO  44  -1.728 -18.389   2.844
  307   2HD   PRO  44          2HD       PRO  44  -1.672 -19.853   3.848
  308    H    ALA  45           H        ALA  45   0.434 -17.875   1.203
  309    HA   ALA  45           HA       ALA  45   1.149 -18.002  -1.700
  310   1HB   ALA  45          1HB       ALA  45  -1.092 -17.067  -1.055
  311   2HB   ALA  45          3HB       ALA  45  -0.067 -15.905  -1.897
  312   3HB   ALA  45          2HB       ALA  45  -0.252 -15.811  -0.146
  313    H    CYS  46           H        CYS  46   1.696 -16.213   1.344
  314    HA   CYS  46           HA       CYS  46   4.254 -15.229   0.141
  315   1HB   CYS  46          1HB       CYS  46   3.832 -13.129   1.047
  316   2HB   CYS  46          2HB       CYS  46   2.197 -13.675   0.701
  317    H    ARG  47           H        ARG  47   3.153 -17.446   2.297
  318    HA   ARG  47           HA       ARG  47   4.170 -18.634   4.057
  319   1HB   ARG  47          1HB       ARG  47   6.068 -17.868   2.177
  320   2HB   ARG  47          2HB       ARG  47   6.794 -17.399   3.715
  321   1HG   ARG  47          1HG       ARG  47   6.381 -19.670   4.600
  322   2HG   ARG  47          2HG       ARG  47   5.666 -20.139   3.058
  323   1HD   ARG  47          1HD       ARG  47   8.013 -19.205   2.133
  324   2HD   ARG  47          2HD       ARG  47   8.536 -19.693   3.757
  325    HE   ARG  47           HE       ARG  47   7.246 -21.510   1.758
  326   1HH1  ARG  47          1HH1      ARG  47   7.264 -21.661   4.979
  327   2HH1  ARG  47          2HH1      ARG  47   8.364 -22.987   5.152
  328   1HH2  ARG  47          1HH2      ARG  47   9.399 -22.905   1.844
  329   2HH2  ARG  47          2HH2      ARG  47   9.573 -23.692   3.377
  330    H    SER  48           H        SER  48   3.239 -15.694   4.563
  331    HA   SER  48           HA       SER  48   5.066 -14.691   6.602
  332   1HB   SER  48          1HB       SER  48   2.306 -14.076   5.588
  333   2HB   SER  48          2HB       SER  48   2.838 -13.355   7.105
  334    HG   SER  48           HG       SER  48   4.749 -12.680   5.904
  335    HA   PRO  49           HA       PRO  49   3.607 -16.987  10.053
  336   1HB   PRO  49          1HB       PRO  49   3.571 -15.126  12.059
  337   2HB   PRO  49          2HB       PRO  49   5.069 -15.798  11.390
  338   1HG   PRO  49          1HG       PRO  49   3.751 -13.182  10.851
  339   2HG   PRO  49          2HG       PRO  49   5.471 -13.569  10.995
  340   1HD   PRO  49          1HD       PRO  49   4.176 -13.204   8.608
  341   2HD   PRO  49          2HD       PRO  49   5.637 -14.194   8.800
  342    H    LYS  50           H        LYS  50   1.601 -17.597  10.881
  343    HA   LYS  50           HA       LYS  50  -0.827 -16.562   9.980
  344   1HB   LYS  50          1HB       LYS  50  -0.421 -18.735  11.122
  345   2HB   LYS  50          2HB       LYS  50  -0.211 -17.874  12.646
  346   1HG   LYS  50          1HG       LYS  50  -2.568 -16.872  12.108
  347   2HG   LYS  50          2HG       LYS  50  -2.712 -18.251  11.019
  348   1HD   LYS  50          1HD       LYS  50  -2.719 -19.788  12.743
  349   2HD   LYS  50          2HD       LYS  50  -1.739 -18.768  13.796
  350   1HE   LYS  50          1HE       LYS  50  -4.553 -17.959  13.049
  351   2HE   LYS  50          2HE       LYS  50  -4.239 -19.036  14.421
  352   1HZ   LYS  50          1HZ       LYS  50  -2.513 -17.359  15.119
  353   2HZ   LYS  50          2HZ       LYS  50  -3.178 -16.300  13.970
  354   3HZ   LYS  50          3HZ       LYS  50  -4.125 -16.842  15.269
  355    H    ASN  51           H        ASN  51   1.121 -15.423  12.690
  356    HA   ASN  51           HA       ASN  51  -0.887 -13.841  13.981
  357   1HB   ASN  51          1HB       ASN  51   1.422 -14.508  14.804
  358   2HB   ASN  51          2HB       ASN  51   2.083 -13.273  13.733
  359   2HD2  ASN  51          2HD2      ASN  51   2.849 -12.154  15.755
  360   1HD2  ASN  51          1HD2      ASN  51   1.752 -11.222  16.655
  361    H    GLN  52           H        GLN  52   0.655 -13.475  10.929
  362    HA   GLN  52           HA       GLN  52   0.318 -10.551  10.815
  363   1HB   GLN  52          1HB       GLN  52   1.848 -12.566   9.544
  364   2HB   GLN  52          2HB       GLN  52   0.814 -11.875   8.293
  365   1HG   GLN  52          1HG       GLN  52   2.595 -10.293  10.174
  366   2HG   GLN  52          2HG       GLN  52   2.942 -10.629   8.478
  367   2HE2  GLN  52          2HE2      GLN  52   0.588 -10.136   7.173
  368   1HE2  GLN  52          1HE2      GLN  52   0.053  -8.549   7.441
  369    H    PHE  53           H        PHE  53  -1.786 -13.164  10.578
  370    HA   PHE  53           HA       PHE  53  -3.359 -12.133   8.299
  371   1HB   PHE  53          1HB       PHE  53  -3.571 -14.423  10.262
  372   2HB   PHE  53          2HB       PHE  53  -4.859 -14.067   9.115
  373    HD1  PHE  53           HD1      PHE  53  -1.158 -14.630   9.261
  374    HD2  PHE  53           HD2      PHE  53  -4.762 -14.935   6.945
  375    HE1  PHE  53           HE1      PHE  53   0.089 -15.821   7.479
  376    HE2  PHE  53           HE2      PHE  53  -3.515 -16.126   5.162
  377    HZ   PHE  53           HZ       PHE  53  -1.091 -16.569   5.430
  378    H    LYS  54           H        LYS  54  -4.980 -10.657   8.548
  379    HA   LYS  54           HA       LYS  54  -5.982 -10.103  11.318
  380   1HB   LYS  54          1HB       LYS  54  -4.849  -8.480   9.370
  381   2HB   LYS  54          2HB       LYS  54  -6.576  -8.177   9.183
  382   1HG   LYS  54          1HG       LYS  54  -5.709  -8.280  11.987
  383   2HG   LYS  54          2HG       LYS  54  -4.950  -6.980  11.068
  384   1HD   LYS  54          1HD       LYS  54  -7.786  -7.213  10.448
  385   2HD   LYS  54          2HD       LYS  54  -7.520  -6.946  12.171
  386   1HE   LYS  54          1HE       LYS  54  -6.714  -4.821  11.838
  387   2HE   LYS  54          2HE       LYS  54  -5.874  -5.274  10.342
  388   1HZ   LYS  54          1HZ       LYS  54  -8.827  -5.049  10.643
  389   2HZ   LYS  54          2HZ       LYS  54  -7.843  -3.870   9.923
  390   3HZ   LYS  54          3HZ       LYS  54  -7.988  -5.405   9.210
  391    H    SER  55           H        SER  55  -8.105 -10.647  11.702
  392    HA   SER  55           HA       SER  55  -9.749 -12.052   9.906
  393   1HB   SER  55          2HB       SER  55 -10.021 -11.906  12.353
  394   2HB   SER  55          1HB       SER  55 -11.525 -11.534  11.526
  395    HG   SER  55           HG       SER  55 -11.412  -9.819  12.751
  396    H    ILE  56           H        ILE  56 -12.136 -11.017   9.563
  397    HA   ILE  56           HA       ILE  56 -11.802  -8.368   8.199
  398    HB   ILE  56           HB       ILE  56 -13.150  -9.322   6.334
  399   1HG1  ILE  56          2HG1      ILE  56 -13.537 -11.423   8.279
  400   2HG1  ILE  56          1HG1      ILE  56 -12.851 -12.090   6.797
  401   1HG2  ILE  56          1HG2      ILE  56 -10.477  -9.712   6.866
  402   2HG2  ILE  56          2HG2      ILE  56 -11.031 -11.353   6.536
  403   3HG2  ILE  56          3HG2      ILE  56 -11.263 -10.086   5.332
  404   1HD1  ILE  56          1HD1      ILE  56 -14.975 -10.104   6.339
  405   2HD1  ILE  56          2HD1      ILE  56 -14.740 -11.690   5.605
  406   3HD1  ILE  56          3HD1      ILE  56 -15.522 -11.555   7.180
  407    H    LYS  57           H        LYS  57 -12.875  -7.662  10.268
  408    HA   LYS  57           HA       LYS  57 -15.814  -8.258  10.298
  409   1HB   LYS  57          1HB       LYS  57 -14.300  -8.882  12.260
  410   2HB   LYS  57          2HB       LYS  57 -14.075  -7.152  12.520
  411   1HG   LYS  57          1HG       LYS  57 -16.845  -7.474  12.236
  412   2HG   LYS  57          2HG       LYS  57 -16.334  -8.836  13.234
  413   1HD   LYS  57          1HD       LYS  57 -16.401  -7.355  14.955
  414   2HD   LYS  57          2HD       LYS  57 -14.880  -6.750  14.301
  415   1HE   LYS  57          1HE       LYS  57 -15.888  -4.898  13.315
  416   2HE   LYS  57          2HE       LYS  57 -17.448  -5.720  13.132
  417   1HZ   LYS  57          1HZ       LYS  57 -16.298  -5.229  15.810
  418   2HZ   LYS  57          2HZ       LYS  57 -17.185  -4.011  15.024
  419   3HZ   LYS  57          3HZ       LYS  57 -17.918  -5.501  15.384
  420    H    LYS  58           H        LYS  58 -15.712  -6.497   8.489
  421    HA   LYS  58           HA       LYS  58 -15.541  -3.749   9.663
  422   1HB   LYS  58          1HB       LYS  58 -15.518  -4.820   6.823
  423   2HB   LYS  58          2HB       LYS  58 -15.452  -3.107   7.230
  424   1HG   LYS  58          1HG       LYS  58 -13.468  -4.113   8.829
  425   2HG   LYS  58          2HG       LYS  58 -13.348  -5.170   7.423
  426   1HD   LYS  58          1HD       LYS  58 -13.721  -2.397   6.626
  427   2HD   LYS  58          2HD       LYS  58 -12.300  -2.580   7.653
  428   1HE   LYS  58          1HE       LYS  58 -12.284  -4.778   5.845
  429   2HE   LYS  58          2HE       LYS  58 -12.596  -3.317   4.888
  430   1HZ   LYS  58          1HZ       LYS  58 -10.761  -2.229   6.050
  431   2HZ   LYS  58          2HZ       LYS  58 -10.450  -3.647   6.926
  432   3HZ   LYS  58          3HZ       LYS  58 -10.218  -3.621   5.243
  433    H    VAL  59           H        VAL  59 -17.469  -2.815  10.171
  434    HA   VAL  59           HA       VAL  59 -19.881  -3.522   8.534
  435    HB   VAL  59           HB       VAL  59 -19.616  -3.201  11.543
  436   1HG1  VAL  59          1HG1      VAL  59 -21.771  -2.362  10.410
  437   2HG1  VAL  59          2HG1      VAL  59 -22.076  -4.053  10.011
  438   3HG1  VAL  59          3HG1      VAL  59 -21.958  -3.552  11.699
  439   1HG2  VAL  59          1HG2      VAL  59 -18.759  -5.347  10.636
  440   2HG2  VAL  59          2HG2      VAL  59 -20.218  -5.582  11.599
  441   3HG2  VAL  59          3HG2      VAL  59 -20.309  -5.613   9.838
  442    H    ILE  60           H        ILE  60 -19.871  -1.535   7.381
  443    HA   ILE  60           HA       ILE  60 -20.283   0.914   9.066
  444    HB   ILE  60           HB       ILE  60 -18.749   0.569   6.470
  445   1HG1  ILE  60          2HG1      ILE  60 -17.988   0.868   9.358
  446   2HG1  ILE  60          1HG1      ILE  60 -16.925   1.526   8.114
  447   1HG2  ILE  60          1HG2      ILE  60 -19.291   3.029   8.160
  448   2HG2  ILE  60          2HG2      ILE  60 -18.156   2.968   6.811
  449   3HG2  ILE  60          3HG2      ILE  60 -19.881   2.735   6.525
  450   1HD1  ILE  60          1HD1      ILE  60 -17.698  -1.061   7.240
  451   2HD1  ILE  60          2HD1      ILE  60 -16.101  -0.541   7.776
  452   3HD1  ILE  60          3HD1      ILE  60 -17.244  -1.214   8.937
  453    H    ALA  61           H        ALA  61 -22.556   0.947   8.815
  454    HA   ALA  61           HA       ALA  61 -24.620   1.267   7.704
  455   1HB   ALA  61          1HB       ALA  61 -22.751   3.130   6.964
  456   2HB   ALA  61          3HB       ALA  61 -24.448   3.191   6.487
  457   3HB   ALA  61          2HB       ALA  61 -23.247   2.501   5.393
  458    H    GLY  62           H        GLY  62 -24.865   1.463   4.757
  459   1HA   GLY  62          1HA       GLY  62 -24.645   0.038   2.813
  460   2HA   GLY  62          2HA       GLY  62 -24.055  -1.252   3.863
  461    H    PHE  63           H        PHE  63 -25.927  -1.522   5.775
  462    HA   PHE  63           HA       PHE  63 -28.028  -2.539   6.160
  463   1HB   PHE  63          1HB       PHE  63 -28.311  -0.024   4.716
  464   2HB   PHE  63          2HB       PHE  63 -29.661  -1.110   4.386
  465    HD1  PHE  63           HD1      PHE  63 -30.934  -2.121   6.328
  466    HD2  PHE  63           HD2      PHE  63 -28.081   1.052   6.825
  467    HE1  PHE  63           HE1      PHE  63 -31.893  -1.608   8.557
  468    HE2  PHE  63           HE2      PHE  63 -29.040   1.564   9.054
  469    HZ   PHE  63           HZ       PHE  63 -30.947   0.235   9.920
  470    H    ALA  64           H        ALA  64 -27.532  -4.603   5.177
  471    HA   ALA  64           HA       ALA  64 -28.205  -4.934   2.296
  472   1HB   ALA  64          3HB       ALA  64 -26.258  -6.090   2.686
  473   2HB   ALA  64          1HB       ALA  64 -26.626  -6.327   4.395
  474   3HB   ALA  64          2HB       ALA  64 -27.376  -7.361   3.179
  475    H    GLU  65           H        GLU  65 -29.116  -7.541   2.277
  476    HA   GLU  65           HA       GLU  65 -31.709  -7.334   3.771
  477   1HB   GLU  65          1HB       GLU  65 -30.926  -8.546   1.104
  478   2HB   GLU  65          2HB       GLU  65 -32.518  -8.757   1.834
  479   1HG   GLU  65          1HG       GLU  65 -31.586  -5.961   1.754
  480   2HG   GLU  65          2HG       GLU  65 -31.837  -6.686   0.166
  481    H    ASN  66           H        ASN  66 -31.913  -8.841   5.370
  482    HA   ASN  66           HA       ASN  66 -30.713 -11.548   4.953
  483   1HB   ASN  66          1HB       ASN  66 -29.201 -10.077   6.285
  484   2HB   ASN  66          2HB       ASN  66 -30.503  -9.830   7.449
  485   2HD2  ASN  66          2HD2      ASN  66 -27.977 -11.089   8.138
  486   1HD2  ASN  66          1HD2      ASN  66 -28.306 -12.699   8.561
  487    H    GLN  67           H        GLN  67 -33.009 -12.127   4.546
  488    HA   GLN  67           HA       GLN  67 -35.115 -12.943   5.246
  489   1HB   GLN  67          1HB       GLN  67 -33.246 -14.064   6.727
  490   2HB   GLN  67          2HB       GLN  67 -33.937 -13.071   8.010
  491   1HG   GLN  67          1HG       GLN  67 -36.200 -14.020   7.398
  492   2HG   GLN  67          2HG       GLN  67 -35.367 -15.143   6.323
  493   2HE2  GLN  67          2HE2      GLN  67 -36.773 -16.338   8.356
  494   1HE2  GLN  67          1HE2      GLN  67 -35.730 -16.901   9.572
  495    H    LYS  68           H        LYS  68 -35.390 -10.323   5.001
  496    HA   LYS  68           HA       LYS  68 -36.456  -9.291   7.607
  497   1HB   LYS  68          1HB       LYS  68 -34.533  -8.176   6.241
  498   2HB   LYS  68          2HB       LYS  68 -35.821  -7.659   5.152
  499   1HG   LYS  68          1HG       LYS  68 -36.588  -6.111   6.622
  500   2HG   LYS  68          2HG       LYS  68 -36.440  -7.213   7.990
  501   1HD   LYS  68          2HD       LYS  68 -33.812  -6.759   7.417
  502   2HD   LYS  68          1HD       LYS  68 -34.732  -5.829   8.600
  503   1HE   LYS  68          1HE       LYS  68 -34.307  -5.097   5.678
  504   2HE   LYS  68          2HE       LYS  68 -35.318  -4.185   6.816
  505   1HZ   LYS  68          1HZ       LYS  68 -33.386  -3.999   8.288
  506   2HZ   LYS  68          2HZ       LYS  68 -32.428  -4.821   7.155
  507   3HZ   LYS  68          3HZ       LYS  68 -33.067  -3.293   6.776
  508    H    TYR  69           H        TYR  69 -37.094  -9.265   4.076
  509    HA   TYR  69           HA       TYR  69 -39.857  -8.371   4.462
  510   1HB   TYR  69          1HB       TYR  69 -37.961  -8.992   2.258
  511   2HB   TYR  69          2HB       TYR  69 -39.675  -9.163   1.876
  512    HD1  TYR  69           HD1      TYR  69 -37.115  -6.807   3.197
  513    HD2  TYR  69           HD2      TYR  69 -41.080  -7.256   1.608
  514    HE1  TYR  69           HE1      TYR  69 -37.316  -4.343   3.002
  515    HE2  TYR  69           HE2      TYR  69 -41.282  -4.791   1.413
  516    HH   TYR  69           HH       TYR  69 -38.825  -2.638   2.723
  517    H    GLY  70           H        GLY  70 -38.221 -11.417   3.585
  518   1HA   GLY  70          1HA       GLY  70 -40.843 -12.812   3.959
  519   2HA   GLY  70          2HA       GLY  70 -39.585 -13.386   2.864

  No H/Q in entry =         519
  Start of MODEL   16
    1    H1   MET   1          1H        MET   1 -16.981  -1.568   4.487
    2    H2   MET   1          2H        MET   1 -17.022  -1.272   2.815
    3    H3   MET   1          3H        MET   1 -18.334  -0.815   3.793
    4    HA   MET   1           HA       MET   1 -18.931  -2.813   2.615
    5   1HB   MET   1          1HB       MET   1 -16.129  -3.264   3.167
    6   2HB   MET   1          2HB       MET   1 -17.075  -4.657   3.694
    7   1HG   MET   1          1HG       MET   1 -18.247  -4.521   1.413
    8   2HG   MET   1          2HG       MET   1 -16.956  -3.418   0.938
    9   1HE   MET   1          1HE       MET   1 -16.144  -4.473  -0.819
   10   2HE   MET   1          2HE       MET   1 -15.240  -5.989  -0.924
   11   3HE   MET   1          3HE       MET   1 -17.001  -6.009  -0.935
   12    H    GLU   2           H        GLU   2 -20.230  -4.416   3.688
   13    HA   GLU   2           HA       GLU   2 -20.275  -4.144   6.676
   14   1HB   GLU   2          1HB       GLU   2 -22.167  -3.312   5.064
   15   2HB   GLU   2          2HB       GLU   2 -22.577  -5.022   4.945
   16   1HG   GLU   2          1HG       GLU   2 -22.117  -4.058   7.700
   17   2HG   GLU   2          2HG       GLU   2 -23.519  -3.352   6.896
   18    H    ILE   3           H        ILE   3 -18.637  -5.989   6.621
   19    HA   ILE   3           HA       ILE   3 -20.089  -8.605   6.438
   20    HB   ILE   3           HB       ILE   3 -17.236  -8.077   5.553
   21   1HG1  ILE   3          1HG1      ILE   3 -19.713  -8.436   3.837
   22   2HG1  ILE   3          2HG1      ILE   3 -18.915  -6.891   4.125
   23   1HG2  ILE   3          1HG2      ILE   3 -19.110 -10.441   5.443
   24   2HG2  ILE   3          2HG2      ILE   3 -17.723 -10.314   4.363
   25   3HG2  ILE   3          3HG2      ILE   3 -17.478 -10.368   6.108
   26   1HD1  ILE   3          1HD1      ILE   3 -16.779  -8.000   3.250
   27   2HD1  ILE   3          2HD1      ILE   3 -17.814  -9.314   2.689
   28   3HD1  ILE   3          3HD1      ILE   3 -18.036  -7.683   2.054
   29    H    ASP   4           H        ASP   4 -18.896 -10.322   7.724
   30    HA   ASP   4           HA       ASP   4 -16.811  -9.778   9.564
   31   1HB   ASP   4          1HB       ASP   4 -18.216  -9.526  11.621
   32   2HB   ASP   4          2HB       ASP   4 -18.329  -8.142  10.537
   33    H    GLU   5           H        GLU   5 -16.164 -11.834   9.658
   34    HA   GLU   5           HA       GLU   5 -17.886 -13.903  10.841
   35   1HB   GLU   5          1HB       GLU   5 -18.029 -13.551   8.140
   36   2HB   GLU   5          2HB       GLU   5 -16.703 -14.708   8.241
   37   1HG   GLU   5          1HG       GLU   5 -18.228 -16.052   9.823
   38   2HG   GLU   5          2HG       GLU   5 -19.535 -15.018   9.246
   39    H    GLY   6           H        GLY   6 -16.134 -16.031   9.705
   40   1HA   GLY   6          1HA       GLY   6 -13.776 -15.505  11.435
   41   2HA   GLY   6          2HA       GLY   6 -14.301 -17.094  10.889
   42    H    LYS   7           H        LYS   7 -14.279 -14.577   8.512
   43    HA   LYS   7           HA       LYS   7 -12.181 -15.980   7.005
   44   1HB   LYS   7          1HB       LYS   7 -14.185 -13.807   6.610
   45   2HB   LYS   7          2HB       LYS   7 -12.770 -13.779   5.558
   46   1HG   LYS   7          1HG       LYS   7 -13.223 -16.215   5.042
   47   2HG   LYS   7          2HG       LYS   7 -14.747 -16.047   5.913
   48   1HD   LYS   7          1HD       LYS   7 -15.096 -13.975   4.332
   49   2HD   LYS   7          2HD       LYS   7 -13.896 -14.783   3.323
   50   1HE   LYS   7          1HE       LYS   7 -15.287 -16.635   2.933
   51   2HE   LYS   7          2HE       LYS   7 -16.254 -16.336   4.389
   52   1HZ   LYS   7          1HZ       LYS   7 -16.110 -14.501   2.052
   53   2HZ   LYS   7          2HZ       LYS   7 -17.371 -15.607   2.317
   54   3HZ   LYS   7          3HZ       LYS   7 -17.112 -14.332   3.410
   55    H    TYR   8           H        TYR   8 -10.046 -15.283   6.818
   56    HA   TYR   8           HA       TYR   8  -9.359 -12.695   8.173
   57   1HB   TYR   8          1HB       TYR   8  -8.138 -15.441   8.214
   58   2HB   TYR   8          2HB       TYR   8  -7.126 -14.036   8.534
   59    HD1  TYR   8           HD1      TYR   8 -10.497 -15.368   9.490
   60    HD2  TYR   8           HD2      TYR   8  -6.923 -13.358  10.756
   61    HE1  TYR   8           HE1      TYR   8 -11.376 -15.287  11.804
   62    HE2  TYR   8           HE2      TYR   8  -7.798 -13.276  13.078
   63    HH   TYR   8           HH       TYR   8 -10.723 -13.484  13.950
   64    H    GLU   9           H        GLU   9  -7.758 -11.419   7.173
   65    HA   GLU   9           HA       GLU   9  -6.980 -12.272   4.404
   66   1HB   GLU   9          1HB       GLU   9  -8.653 -10.448   4.531
   67   2HB   GLU   9          2HB       GLU   9  -7.551  -9.516   5.547
   68   1HG   GLU   9          1HG       GLU   9  -6.297 -10.467   3.072
   69   2HG   GLU   9          2HG       GLU   9  -7.668  -9.397   2.782
   70    H    CYS  10           H        CYS  10  -4.779 -12.409   4.106
   71    HA   CYS  10           HA       CYS  10  -2.895 -11.894   6.210
   72   1HB   CYS  10          1HB       CYS  10  -2.826 -13.411   4.084
   73   2HB   CYS  10          2HB       CYS  10  -2.254 -11.962   3.278
   74    H    GLU  11           H        GLU  11  -2.563  -9.793   6.914
   75    HA   GLU  11           HA       GLU  11  -2.887  -7.457   5.257
   76   1HB   GLU  11          1HB       GLU  11  -2.180  -8.207   7.968
   77   2HB   GLU  11          2HB       GLU  11  -1.129  -6.913   7.395
   78   1HG   GLU  11          1HG       GLU  11  -3.713  -6.225   6.508
   79   2HG   GLU  11          2HG       GLU  11  -3.925  -6.795   8.163
   80    H    ALA  12           H        ALA  12  -0.413  -9.820   5.439
   81    HA   ALA  12           HA       ALA  12   1.810  -8.057   4.708
   82   1HB   ALA  12          1HB       ALA  12   1.296 -10.921   5.332
   83   2HB   ALA  12          2HB       ALA  12   2.712 -10.569   4.340
   84   3HB   ALA  12          3HB       ALA  12   2.555  -9.846   5.941
   85    H    CYS  13           H        CYS  13  -0.239 -10.493   2.998
   86    HA   CYS  13           HA       CYS  13   0.974  -9.433   0.470
   87   1HB   CYS  13          1HB       CYS  13   1.066 -11.652  -0.373
   88   2HB   CYS  13          2HB       CYS  13   1.621 -11.776   1.292
   89    H    GLY  14           H        GLY  14  -1.992 -10.580   2.031
   90   1HA   GLY  14          1HA       GLY  14  -4.069  -9.349   1.399
   91   2HA   GLY  14          2HA       GLY  14  -3.499  -9.392  -0.268
   92    H    TYR  15           H        TYR  15  -2.988 -12.247   1.592
   93    HA   TYR  15           HA       TYR  15  -4.707 -13.817  -0.158
   94   1HB   TYR  15          1HB       TYR  15  -2.599 -14.695   0.664
   95   2HB   TYR  15          2HB       TYR  15  -3.067 -14.386   2.335
   96    HD1  TYR  15           HD1      TYR  15  -4.764 -15.770   3.451
   97    HD2  TYR  15           HD2      TYR  15  -3.493 -16.600  -0.567
   98    HE1  TYR  15           HE1      TYR  15  -5.807 -18.014   3.587
   99    HE2  TYR  15           HE2      TYR  15  -4.534 -18.848  -0.432
  100    HH   TYR  15           HH       TYR  15  -5.901 -20.061   2.586
  101    H    ILE  16           H        ILE  16  -6.376 -15.337   0.869
  102    HA   ILE  16           HA       ILE  16  -7.771 -14.013   3.170
  103    HB   ILE  16           HB       ILE  16  -8.880 -15.081   0.557
  104   1HG1  ILE  16          1HG1      ILE  16  -7.803 -12.831   0.511
  105   2HG1  ILE  16          2HG1      ILE  16  -9.531 -12.765   0.168
  106   1HG2  ILE  16          1HG2      ILE  16 -10.317 -15.572   2.574
  107   2HG2  ILE  16          2HG2      ILE  16 -10.402 -13.835   2.862
  108   3HG2  ILE  16          3HG2      ILE  16 -11.079 -14.517   1.384
  109   1HD1  ILE  16          1HD1      ILE  16  -9.076 -12.571   3.018
  110   2HD1  ILE  16          2HD1      ILE  16  -8.130 -11.347   2.171
  111   3HD1  ILE  16          3HD1      ILE  16  -9.878 -11.423   1.947
  112    H    TYR  17           H        TYR  17  -7.930 -15.471   4.810
  113    HA   TYR  17           HA       TYR  17  -7.696 -18.369   4.271
  114   1HB   TYR  17          1HB       TYR  17  -6.404 -17.433   6.087
  115   2HB   TYR  17          2HB       TYR  17  -7.825 -16.635   6.757
  116    HD1  TYR  17           HD1      TYR  17  -6.671 -20.069   5.770
  117    HD2  TYR  17           HD2      TYR  17  -8.946 -17.684   8.534
  118    HE1  TYR  17           HE1      TYR  17  -7.178 -22.096   7.105
  119    HE2  TYR  17           HE2      TYR  17  -9.458 -19.717   9.861
  120    HH   TYR  17           HH       TYR  17  -8.942 -22.845   8.706
  121    H    GLU  18           H        GLU  18  -9.373 -19.839   4.604
  122    HA   GLU  18           HA       GLU  18 -12.057 -18.694   5.306
  123   1HB   GLU  18          2HB       GLU  18 -12.936 -20.308   3.645
  124   2HB   GLU  18          1HB       GLU  18 -11.294 -20.871   3.332
  125   1HG   GLU  18          1HG       GLU  18 -12.289 -18.035   2.911
  126   2HG   GLU  18          2HG       GLU  18 -10.653 -18.611   2.585
  127    HA   PRO  19           HA       PRO  19 -11.412 -21.888   8.434
  128   1HB   PRO  19          1HB       PRO  19 -13.532 -21.169  10.008
  129   2HB   PRO  19          2HB       PRO  19 -11.964 -20.357  10.045
  130   1HG   PRO  19          1HG       PRO  19 -14.491 -19.502   8.750
  131   2HG   PRO  19          2HG       PRO  19 -13.254 -18.542   9.559
  132   1HD   PRO  19          1HD       PRO  19 -13.500 -18.767   6.830
  133   2HD   PRO  19          2HD       PRO  19 -11.992 -18.349   7.669
  134    H    GLU  20           H        GLU  20 -14.847 -21.125   7.960
  135    HA   GLU  20           HA       GLU  20 -16.002 -23.618   8.234
  136   1HB   GLU  20          1HB       GLU  20 -16.559 -21.101   6.847
  137   2HB   GLU  20          2HB       GLU  20 -17.356 -22.479   6.089
  138   1HG   GLU  20          1HG       GLU  20 -18.162 -23.139   8.411
  139   2HG   GLU  20          2HG       GLU  20 -17.583 -21.568   8.967
  140    H    LYS  21           H        LYS  21 -14.098 -22.487   5.501
  141    HA   LYS  21           HA       LYS  21 -14.768 -24.908   3.916
  142   1HB   LYS  21          1HB       LYS  21 -13.854 -22.179   3.472
  143   2HB   LYS  21          2HB       LYS  21 -12.859 -23.338   2.594
  144   1HG   LYS  21          1HG       LYS  21 -14.818 -24.293   1.525
  145   2HG   LYS  21          2HG       LYS  21 -15.890 -23.300   2.513
  146   1HD   LYS  21          1HD       LYS  21 -14.973 -21.264   1.488
  147   2HD   LYS  21          2HD       LYS  21 -13.854 -22.234   0.532
  148   1HE   LYS  21          1HE       LYS  21 -15.596 -21.949  -1.004
  149   2HE   LYS  21          2HE       LYS  21 -16.114 -23.452  -0.217
  150   1HZ   LYS  21          1HZ       LYS  21 -16.818 -20.808   0.908
  151   2HZ   LYS  21          2HZ       LYS  21 -17.773 -21.508  -0.306
  152   3HZ   LYS  21          3HZ       LYS  21 -17.567 -22.309   1.179
  153    H    GLY  22           H        GLY  22 -11.989 -23.326   5.462
  154   1HA   GLY  22          1HA       GLY  22 -10.164 -24.519   6.480
  155   2HA   GLY  22          2HA       GLY  22 -10.632 -25.954   5.570
  156    H    ASP  23           H        ASP  23  -7.995 -24.584   5.783
  157    HA   ASP  23           HA       ASP  23  -7.501 -23.436   3.122
  158   1HB   ASP  23          1HB       ASP  23  -6.424 -23.145   5.626
  159   2HB   ASP  23          2HB       ASP  23  -5.255 -24.232   4.875
  160    H    LYS  24           H        LYS  24  -8.465 -25.782   2.452
  161    HA   LYS  24           HA       LYS  24  -7.091 -28.183   2.572
  162   1HB   LYS  24          1HB       LYS  24  -8.996 -26.863   0.878
  163   2HB   LYS  24          2HB       LYS  24  -7.880 -27.780  -0.133
  164   1HG   LYS  24          1HG       LYS  24  -8.329 -29.812   1.092
  165   2HG   LYS  24          2HG       LYS  24  -9.256 -28.934   2.308
  166   1HD   LYS  24          2HD       LYS  24 -10.775 -28.206   0.347
  167   2HD   LYS  24          1HD       LYS  24 -10.903 -29.879   0.891
  168   1HE   LYS  24          1HE       LYS  24  -9.359 -28.856  -1.519
  169   2HE   LYS  24          2HE       LYS  24  -9.262 -30.522  -0.916
  170   1HZ   LYS  24          1HZ       LYS  24 -11.764 -30.512  -0.990
  171   2HZ   LYS  24          2HZ       LYS  24 -11.666 -29.067  -1.878
  172   3HZ   LYS  24          3HZ       LYS  24 -11.000 -30.494  -2.508
  173    H    PHE  25           H        PHE  25  -6.097 -25.288   0.836
  174    HA   PHE  25           HA       PHE  25  -4.083 -26.596  -0.809
  175   1HB   PHE  25          1HB       PHE  25  -5.357 -24.234  -0.877
  176   2HB   PHE  25          2HB       PHE  25  -3.906 -23.721  -0.016
  177    HD1  PHE  25           HD1      PHE  25  -1.620 -24.423  -1.031
  178    HD2  PHE  25           HD2      PHE  25  -5.318 -24.472  -3.217
  179    HE1  PHE  25           HE1      PHE  25  -0.358 -24.404  -3.166
  180    HE2  PHE  25           HE2      PHE  25  -4.055 -24.453  -5.352
  181    HZ   PHE  25           HZ       PHE  25  -1.575 -24.419  -5.326
  182    H    ALA  26           H        ALA  26  -4.190 -25.256   2.433
  183    HA   ALA  26           HA       ALA  26  -1.233 -25.470   2.716
  184   1HB   ALA  26          3HB       ALA  26  -1.858 -23.505   3.728
  185   2HB   ALA  26          1HB       ALA  26  -3.500 -24.071   4.032
  186   3HB   ALA  26          2HB       ALA  26  -2.186 -24.566   5.098
  187    H    GLY  27           H        GLY  27  -4.201 -27.084   3.594
  188   1HA   GLY  27          1HA       GLY  27  -3.929 -29.500   4.206
  189   2HA   GLY  27          2HA       GLY  27  -2.611 -28.993   5.261
  190    H    ILE  28           H        ILE  28  -5.457 -26.986   5.071
  191    HA   ILE  28           HA       ILE  28  -6.209 -27.915   7.819
  192    HB   ILE  28           HB       ILE  28  -6.325 -25.232   6.417
  193   1HG1  ILE  28          1HG1      ILE  28  -5.002 -25.617   9.040
  194   2HG1  ILE  28          2HG1      ILE  28  -4.231 -26.413   7.669
  195   1HG2  ILE  28          1HG2      ILE  28  -8.318 -25.750   7.948
  196   2HG2  ILE  28          2HG2      ILE  28  -7.155 -25.797   9.271
  197   3HG2  ILE  28          3HG2      ILE  28  -7.384 -24.311   8.351
  198   1HD1  ILE  28          1HD1      ILE  28  -5.081 -23.703   7.009
  199   2HD1  ILE  28          2HD1      ILE  28  -3.963 -23.725   8.373
  200   3HD1  ILE  28          3HD1      ILE  28  -3.493 -24.449   6.835
  201    HA   PRO  29           HA       PRO  29  -9.909 -29.116   5.514
  202   1HB   PRO  29          1HB       PRO  29 -11.155 -30.333   7.636
  203   2HB   PRO  29          2HB       PRO  29  -9.890 -31.119   6.673
  204   1HG   PRO  29          1HG       PRO  29  -9.690 -29.748   9.319
  205   2HG   PRO  29          2HG       PRO  29  -8.942 -31.259   8.776
  206   1HD   PRO  29          1HD       PRO  29  -7.590 -28.915   8.887
  207   2HD   PRO  29          2HD       PRO  29  -7.238 -30.165   7.674
  208    HA   PRO  30           HA       PRO  30 -12.837 -26.034   6.681
  209   1HB   PRO  30          1HB       PRO  30 -15.255 -27.317   6.719
  210   2HB   PRO  30          2HB       PRO  30 -14.392 -26.926   5.218
  211   1HG   PRO  30          2HG       PRO  30 -14.626 -29.221   4.994
  212   2HG   PRO  30          1HG       PRO  30 -14.495 -29.494   6.739
  213   1HD   PRO  30          1HD       PRO  30 -12.335 -30.068   6.137
  214   2HD   PRO  30          2HD       PRO  30 -12.333 -28.977   4.734
  215    H    GLY  31           H        GLY  31 -15.102 -26.088   8.247
  216   1HA   GLY  31          1HA       GLY  31 -15.680 -25.882  10.524
  217   2HA   GLY  31          2HA       GLY  31 -15.176 -27.569  10.609
  218    H    THR  32           H        THR  32 -13.011 -24.882   9.813
  219    HA   THR  32           HA       THR  32 -11.708 -25.211  12.492
  220    HB   THR  32           HB       THR  32 -10.242 -24.963   9.857
  221    HG1  THR  32           HG1      THR  32  -9.946 -27.290  10.218
  222   1HG2  THR  32          1HG2      THR  32  -9.487 -25.807  12.662
  223   2HG2  THR  32          2HG2      THR  32  -8.440 -26.055  11.264
  224   3HG2  THR  32          3HG2      THR  32  -8.880 -24.420  11.758
  225    HA   PRO  33           HA       PRO  33 -12.192 -20.749  11.892
  226   1HB   PRO  33          1HB       PRO  33 -11.737 -20.082  14.507
  227   2HB   PRO  33          2HB       PRO  33 -13.310 -20.643  13.910
  228   1HG   PRO  33          2HG       PRO  33 -12.950 -22.229  15.537
  229   2HG   PRO  33          1HG       PRO  33 -11.190 -22.139  15.376
  230   1HD   PRO  33          1HD       PRO  33 -11.459 -24.066  14.171
  231   2HD   PRO  33          2HD       PRO  33 -13.158 -23.707  13.798
  232    H    PHE  34           H        PHE  34 -10.609 -19.086  11.739
  233    HA   PHE  34           HA       PHE  34  -7.914 -19.779  11.331
  234   1HB   PHE  34          1HB       PHE  34  -8.844 -17.748  10.465
  235   2HB   PHE  34          2HB       PHE  34  -9.324 -17.199  12.063
  236    HD1  PHE  34           HD1      PHE  34  -6.509 -17.650   9.733
  237    HD2  PHE  34           HD2      PHE  34  -7.688 -16.256  13.620
  238    HE1  PHE  34           HE1      PHE  34  -4.327 -16.497   9.980
  239    HE2  PHE  34           HE2      PHE  34  -5.506 -15.102  13.868
  240    HZ   PHE  34           HZ       PHE  34  -3.826 -15.223  12.048
  241    H    VAL  35           H        VAL  35  -9.594 -19.101  14.325
  242    HA   VAL  35           HA       VAL  35  -7.255 -18.530  15.939
  243    HB   VAL  35           HB       VAL  35  -8.901 -18.929  17.778
  244   1HG1  VAL  35          1HG1      VAL  35  -9.888 -17.331  15.396
  245   2HG1  VAL  35          2HG1      VAL  35 -10.535 -17.184  17.031
  246   3HG1  VAL  35          3HG1      VAL  35  -8.860 -16.742  16.703
  247   1HG2  VAL  35          1HG2      VAL  35 -10.194 -20.416  15.641
  248   2HG2  VAL  35          2HG2      VAL  35 -10.518 -20.450  17.374
  249   3HG2  VAL  35          3HG2      VAL  35 -11.296 -19.238  16.355
  250    H    ASP  36           H        ASP  36  -8.619 -21.441  14.644
  251    HA   ASP  36           HA       ASP  36  -7.257 -23.154  16.661
  252   1HB   ASP  36          1HB       ASP  36  -9.628 -23.265  15.138
  253   2HB   ASP  36          2HB       ASP  36  -8.579 -24.516  14.470
  254    H    LEU  37           H        LEU  37  -6.377 -21.614  13.828
  255    HA   LEU  37           HA       LEU  37  -5.168 -23.529  12.171
  256   1HB   LEU  37          1HB       LEU  37  -4.511 -20.708  13.007
  257   2HB   LEU  37          2HB       LEU  37  -3.472 -21.560  11.866
  258    HG   LEU  37           HG       LEU  37  -6.454 -21.101  11.539
  259   1HD1  LEU  37          1HD1      LEU  37  -5.020 -19.081  11.233
  260   2HD1  LEU  37          2HD1      LEU  37  -4.092 -19.959  10.017
  261   3HD1  LEU  37          3HD1      LEU  37  -5.794 -19.591   9.733
  262   1HD2  LEU  37          1HD2      LEU  37  -4.443 -22.770  10.109
  263   2HD2  LEU  37          2HD2      LEU  37  -6.173 -23.030  10.317
  264   3HD2  LEU  37          3HD2      LEU  37  -5.594 -21.880   9.112
  265    H    SER  38           H        SER  38  -2.751 -24.007  12.045
  266    HA   SER  38           HA       SER  38  -1.802 -25.358  14.344
  267   1HB   SER  38          1HB       SER  38  -0.539 -24.248  11.837
  268   2HB   SER  38          2HB       SER  38   0.424 -25.123  13.026
  269    HG   SER  38           HG       SER  38  -1.160 -26.111  11.150
  270    H    ASP  39           H        ASP  39   0.408 -24.758  15.396
  271    HA   ASP  39           HA       ASP  39   0.116 -22.269  16.823
  272   1HB   ASP  39          1HB       ASP  39   1.868 -24.630  16.720
  273   2HB   ASP  39          2HB       ASP  39   2.704 -23.160  17.217
  274    H    SER  40           H        SER  40   1.898 -23.226  13.944
  275    HA   SER  40           HA       SER  40   2.866 -20.401  13.683
  276   1HB   SER  40          1HB       SER  40   4.985 -21.388  12.791
  277   2HB   SER  40          2HB       SER  40   4.685 -21.843  14.467
  278    HG   SER  40           HG       SER  40   4.492 -23.372  12.132
  279    H    PHE  41           H        PHE  41   0.516 -21.361  12.444
  280    HA   PHE  41           HA       PHE  41   0.759 -22.530   9.890
  281   1HB   PHE  41          1HB       PHE  41  -1.393 -22.179  10.825
  282   2HB   PHE  41          2HB       PHE  41  -1.078 -20.485  11.143
  283    HD1  PHE  41           HD1      PHE  41  -1.764 -22.971   8.470
  284    HD2  PHE  41           HD2      PHE  41  -1.428 -18.804   9.462
  285    HE1  PHE  41           HE1      PHE  41  -2.768 -22.368   6.285
  286    HE2  PHE  41           HE2      PHE  41  -2.433 -18.203   7.277
  287    HZ   PHE  41           HZ       PHE  41  -3.102 -19.986   5.688
  288    H    MET  42           H        MET  42   1.661 -21.808   7.996
  289    HA   MET  42           HA       MET  42   2.569 -18.955   7.877
  290   1HB   MET  42          2HB       MET  42   4.282 -19.777   6.378
  291   2HB   MET  42          1HB       MET  42   3.480 -21.338   6.232
  292   1HG   MET  42          2HG       MET  42   3.985 -20.685   9.019
  293   2HG   MET  42          1HG       MET  42   5.478 -20.635   8.084
  294   1HE   MET  42          1HE       MET  42   5.806 -22.105   6.210
  295   2HE   MET  42          2HE       MET  42   5.988 -23.834   6.491
  296   3HE   MET  42          3HE       MET  42   4.521 -23.222   5.731
  297    H    CYS  43           H        CYS  43   2.116 -17.768   5.947
  298    HA   CYS  43           HA       CYS  43  -0.400 -18.261   4.695
  299   1HB   CYS  43          1HB       CYS  43   0.946 -16.108   4.996
  300   2HB   CYS  43          2HB       CYS  43   1.896 -16.632   3.607
  301    HA   PRO  44           HA       PRO  44   0.999 -21.171   1.622
  302   1HB   PRO  44          1HB       PRO  44  -1.290 -21.249   0.127
  303   2HB   PRO  44          2HB       PRO  44  -1.126 -22.083   1.684
  304   1HG   PRO  44          2HG       PRO  44  -2.939 -20.780   2.195
  305   2HG   PRO  44          1HG       PRO  44  -2.494 -19.527   1.030
  306   1HD   PRO  44          1HD       PRO  44  -1.728 -18.389   2.844
  307   2HD   PRO  44          2HD       PRO  44  -1.672 -19.853   3.848
  308    H    ALA  45           H        ALA  45   0.434 -17.875   1.203
  309    HA   ALA  45           HA       ALA  45   1.149 -18.002  -1.700
  310   1HB   ALA  45          1HB       ALA  45  -1.092 -17.067  -1.055
  311   2HB   ALA  45          3HB       ALA  45  -0.067 -15.905  -1.897
  312   3HB   ALA  45          2HB       ALA  45  -0.252 -15.811  -0.146
  313    H    CYS  46           H        CYS  46   1.696 -16.213   1.344
  314    HA   CYS  46           HA       CYS  46   4.254 -15.229   0.141
  315   1HB   CYS  46          1HB       CYS  46   3.832 -13.129   1.047
  316   2HB   CYS  46          2HB       CYS  46   2.197 -13.675   0.701
  317    H    ARG  47           H        ARG  47   3.153 -17.446   2.297
  318    HA   ARG  47           HA       ARG  47   4.170 -18.634   4.057
  319   1HB   ARG  47          1HB       ARG  47   6.068 -17.868   2.177
  320   2HB   ARG  47          2HB       ARG  47   6.794 -17.399   3.715
  321   1HG   ARG  47          1HG       ARG  47   6.381 -19.670   4.600
  322   2HG   ARG  47          2HG       ARG  47   5.666 -20.139   3.058
  323   1HD   ARG  47          1HD       ARG  47   8.013 -19.205   2.133
  324   2HD   ARG  47          2HD       ARG  47   8.536 -19.693   3.757
  325    HE   ARG  47           HE       ARG  47   7.246 -21.510   1.758
  326   1HH1  ARG  47          1HH1      ARG  47   7.264 -21.661   4.979
  327   2HH1  ARG  47          2HH1      ARG  47   8.364 -22.987   5.152
  328   1HH2  ARG  47          1HH2      ARG  47   9.399 -22.905   1.844
  329   2HH2  ARG  47          2HH2      ARG  47   9.573 -23.692   3.377
  330    H    SER  48           H        SER  48   3.239 -15.694   4.563
  331    HA   SER  48           HA       SER  48   5.066 -14.691   6.602
  332   1HB   SER  48          1HB       SER  48   2.306 -14.076   5.588
  333   2HB   SER  48          2HB       SER  48   2.838 -13.355   7.105
  334    HG   SER  48           HG       SER  48   4.749 -12.680   5.904
  335    HA   PRO  49           HA       PRO  49   3.607 -16.987  10.053
  336   1HB   PRO  49          1HB       PRO  49   3.571 -15.126  12.059
  337   2HB   PRO  49          2HB       PRO  49   5.069 -15.798  11.390
  338   1HG   PRO  49          1HG       PRO  49   3.751 -13.182  10.851
  339   2HG   PRO  49          2HG       PRO  49   5.471 -13.569  10.995
  340   1HD   PRO  49          1HD       PRO  49   4.176 -13.204   8.608
  341   2HD   PRO  49          2HD       PRO  49   5.637 -14.194   8.800
  342    H    LYS  50           H        LYS  50   1.601 -17.597  10.881
  343    HA   LYS  50           HA       LYS  50  -0.827 -16.562   9.980
  344   1HB   LYS  50          1HB       LYS  50  -0.421 -18.735  11.122
  345   2HB   LYS  50          2HB       LYS  50  -0.211 -17.874  12.646
  346   1HG   LYS  50          1HG       LYS  50  -2.568 -16.872  12.108
  347   2HG   LYS  50          2HG       LYS  50  -2.712 -18.251  11.019
  348   1HD   LYS  50          1HD       LYS  50  -2.719 -19.788  12.743
  349   2HD   LYS  50          2HD       LYS  50  -1.739 -18.768  13.796
  350   1HE   LYS  50          1HE       LYS  50  -4.553 -17.959  13.049
  351   2HE   LYS  50          2HE       LYS  50  -4.239 -19.036  14.421
  352   1HZ   LYS  50          1HZ       LYS  50  -2.513 -17.359  15.119
  353   2HZ   LYS  50          2HZ       LYS  50  -3.178 -16.300  13.970
  354   3HZ   LYS  50          3HZ       LYS  50  -4.125 -16.842  15.269
  355    H    ASN  51           H        ASN  51   1.121 -15.423  12.690
  356    HA   ASN  51           HA       ASN  51  -0.887 -13.841  13.981
  357   1HB   ASN  51          1HB       ASN  51   1.422 -14.508  14.804
  358   2HB   ASN  51          2HB       ASN  51   2.083 -13.273  13.733
  359   2HD2  ASN  51          2HD2      ASN  51   2.849 -12.154  15.755
  360   1HD2  ASN  51          1HD2      ASN  51   1.752 -11.222  16.655
  361    H    GLN  52           H        GLN  52   0.655 -13.475  10.929
  362    HA   GLN  52           HA       GLN  52   0.318 -10.551  10.815
  363   1HB   GLN  52          1HB       GLN  52   1.848 -12.566   9.544
  364   2HB   GLN  52          2HB       GLN  52   0.814 -11.875   8.293
  365   1HG   GLN  52          1HG       GLN  52   2.595 -10.293  10.174
  366   2HG   GLN  52          2HG       GLN  52   2.942 -10.629   8.478
  367   2HE2  GLN  52          2HE2      GLN  52   0.588 -10.136   7.173
  368   1HE2  GLN  52          1HE2      GLN  52   0.053  -8.549   7.441
  369    H    PHE  53           H        PHE  53  -1.786 -13.164  10.578
  370    HA   PHE  53           HA       PHE  53  -3.359 -12.133   8.299
  371   1HB   PHE  53          1HB       PHE  53  -3.571 -14.423  10.262
  372   2HB   PHE  53          2HB       PHE  53  -4.859 -14.067   9.115
  373    HD1  PHE  53           HD1      PHE  53  -1.158 -14.630   9.261
  374    HD2  PHE  53           HD2      PHE  53  -4.762 -14.935   6.945
  375    HE1  PHE  53           HE1      PHE  53   0.089 -15.821   7.479
  376    HE2  PHE  53           HE2      PHE  53  -3.515 -16.126   5.162
  377    HZ   PHE  53           HZ       PHE  53  -1.091 -16.569   5.430
  378    H    LYS  54           H        LYS  54  -4.980 -10.657   8.548
  379    HA   LYS  54           HA       LYS  54  -5.982 -10.103  11.318
  380   1HB   LYS  54          1HB       LYS  54  -4.849  -8.480   9.370
  381   2HB   LYS  54          2HB       LYS  54  -6.576  -8.177   9.183
  382   1HG   LYS  54          1HG       LYS  54  -5.709  -8.280  11.987
  383   2HG   LYS  54          2HG       LYS  54  -4.950  -6.980  11.068
  384   1HD   LYS  54          1HD       LYS  54  -7.786  -7.213  10.448
  385   2HD   LYS  54          2HD       LYS  54  -7.520  -6.946  12.171
  386   1HE   LYS  54          1HE       LYS  54  -6.714  -4.821  11.838
  387   2HE   LYS  54          2HE       LYS  54  -5.874  -5.274  10.342
  388   1HZ   LYS  54          1HZ       LYS  54  -8.827  -5.049  10.643
  389   2HZ   LYS  54          2HZ       LYS  54  -7.843  -3.870   9.923
  390   3HZ   LYS  54          3HZ       LYS  54  -7.988  -5.405   9.210
  391    H    SER  55           H        SER  55  -8.105 -10.647  11.702
  392    HA   SER  55           HA       SER  55  -9.749 -12.052   9.906
  393   1HB   SER  55          2HB       SER  55 -10.021 -11.906  12.353
  394   2HB   SER  55          1HB       SER  55 -11.525 -11.534  11.526
  395    HG   SER  55           HG       SER  55 -11.412  -9.819  12.751
  396    H    ILE  56           H        ILE  56 -12.136 -11.017   9.563
  397    HA   ILE  56           HA       ILE  56 -11.802  -8.368   8.199
  398    HB   ILE  56           HB       ILE  56 -13.150  -9.322   6.334
  399   1HG1  ILE  56          2HG1      ILE  56 -13.537 -11.423   8.279
  400   2HG1  ILE  56          1HG1      ILE  56 -12.851 -12.090   6.797
  401   1HG2  ILE  56          1HG2      ILE  56 -10.477  -9.712   6.866
  402   2HG2  ILE  56          2HG2      ILE  56 -11.031 -11.353   6.536
  403   3HG2  ILE  56          3HG2      ILE  56 -11.263 -10.086   5.332
  404   1HD1  ILE  56          1HD1      ILE  56 -14.975 -10.104   6.339
  405   2HD1  ILE  56          2HD1      ILE  56 -14.740 -11.690   5.605
  406   3HD1  ILE  56          3HD1      ILE  56 -15.522 -11.555   7.180
  407    H    LYS  57           H        LYS  57 -12.875  -7.662  10.268
  408    HA   LYS  57           HA       LYS  57 -15.814  -8.258  10.298
  409   1HB   LYS  57          1HB       LYS  57 -14.300  -8.882  12.260
  410   2HB   LYS  57          2HB       LYS  57 -14.075  -7.152  12.520
  411   1HG   LYS  57          1HG       LYS  57 -16.845  -7.474  12.236
  412   2HG   LYS  57          2HG       LYS  57 -16.334  -8.836  13.234
  413   1HD   LYS  57          1HD       LYS  57 -16.401  -7.355  14.955
  414   2HD   LYS  57          2HD       LYS  57 -14.880  -6.750  14.301
  415   1HE   LYS  57          1HE       LYS  57 -15.888  -4.898  13.315
  416   2HE   LYS  57          2HE       LYS  57 -17.448  -5.720  13.132
  417   1HZ   LYS  57          1HZ       LYS  57 -16.298  -5.229  15.810
  418   2HZ   LYS  57          2HZ       LYS  57 -17.185  -4.011  15.024
  419   3HZ   LYS  57          3HZ       LYS  57 -17.918  -5.501  15.384
  420    H    LYS  58           H        LYS  58 -15.712  -6.497   8.489
  421    HA   LYS  58           HA       LYS  58 -15.541  -3.749   9.663
  422   1HB   LYS  58          1HB       LYS  58 -15.518  -4.820   6.823
  423   2HB   LYS  58          2HB       LYS  58 -15.452  -3.107   7.230
  424   1HG   LYS  58          1HG       LYS  58 -13.468  -4.113   8.829
  425   2HG   LYS  58          2HG       LYS  58 -13.348  -5.170   7.423
  426   1HD   LYS  58          1HD       LYS  58 -13.721  -2.397   6.626
  427   2HD   LYS  58          2HD       LYS  58 -12.300  -2.580   7.653
  428   1HE   LYS  58          1HE       LYS  58 -12.284  -4.778   5.845
  429   2HE   LYS  58          2HE       LYS  58 -12.596  -3.317   4.888
  430   1HZ   LYS  58          1HZ       LYS  58 -10.761  -2.229   6.050
  431   2HZ   LYS  58          2HZ       LYS  58 -10.450  -3.647   6.926
  432   3HZ   LYS  58          3HZ       LYS  58 -10.218  -3.621   5.243
  433    H    VAL  59           H        VAL  59 -17.469  -2.815  10.171
  434    HA   VAL  59           HA       VAL  59 -19.881  -3.522   8.534
  435    HB   VAL  59           HB       VAL  59 -19.616  -3.201  11.543
  436   1HG1  VAL  59          1HG1      VAL  59 -21.771  -2.362  10.410
  437   2HG1  VAL  59          2HG1      VAL  59 -22.076  -4.053  10.011
  438   3HG1  VAL  59          3HG1      VAL  59 -21.958  -3.552  11.699
  439   1HG2  VAL  59          1HG2      VAL  59 -18.759  -5.347  10.636
  440   2HG2  VAL  59          2HG2      VAL  59 -20.218  -5.582  11.599
  441   3HG2  VAL  59          3HG2      VAL  59 -20.309  -5.613   9.838
  442    H    ILE  60           H        ILE  60 -19.871  -1.535   7.381
  443    HA   ILE  60           HA       ILE  60 -20.283   0.914   9.066
  444    HB   ILE  60           HB       ILE  60 -18.749   0.569   6.470
  445   1HG1  ILE  60          2HG1      ILE  60 -17.988   0.868   9.358
  446   2HG1  ILE  60          1HG1      ILE  60 -16.925   1.526   8.114
  447   1HG2  ILE  60          1HG2      ILE  60 -19.291   3.029   8.160
  448   2HG2  ILE  60          2HG2      ILE  60 -18.156   2.968   6.811
  449   3HG2  ILE  60          3HG2      ILE  60 -19.881   2.735   6.525
  450   1HD1  ILE  60          1HD1      ILE  60 -17.698  -1.061   7.240
  451   2HD1  ILE  60          2HD1      ILE  60 -16.101  -0.541   7.776
  452   3HD1  ILE  60          3HD1      ILE  60 -17.244  -1.214   8.937
  453    H    ALA  61           H        ALA  61 -22.556   0.947   8.815
  454    HA   ALA  61           HA       ALA  61 -24.620   1.267   7.704
  455   1HB   ALA  61          1HB       ALA  61 -22.751   3.130   6.964
  456   2HB   ALA  61          3HB       ALA  61 -24.448   3.191   6.487
  457   3HB   ALA  61          2HB       ALA  61 -23.247   2.501   5.393
  458    H    GLY  62           H        GLY  62 -24.865   1.463   4.757
  459   1HA   GLY  62          1HA       GLY  62 -24.645   0.038   2.813
  460   2HA   GLY  62          2HA       GLY  62 -24.055  -1.252   3.863
  461    H    PHE  63           H        PHE  63 -25.927  -1.522   5.775
  462    HA   PHE  63           HA       PHE  63 -28.028  -2.539   6.160
  463   1HB   PHE  63          1HB       PHE  63 -28.311  -0.024   4.716
  464   2HB   PHE  63          2HB       PHE  63 -29.661  -1.110   4.386
  465    HD1  PHE  63           HD1      PHE  63 -30.934  -2.121   6.328
  466    HD2  PHE  63           HD2      PHE  63 -28.081   1.052   6.825
  467    HE1  PHE  63           HE1      PHE  63 -31.893  -1.608   8.557
  468    HE2  PHE  63           HE2      PHE  63 -29.040   1.564   9.054
  469    HZ   PHE  63           HZ       PHE  63 -30.947   0.235   9.920
  470    H    ALA  64           H        ALA  64 -27.532  -4.603   5.177
  471    HA   ALA  64           HA       ALA  64 -28.205  -4.934   2.296
  472   1HB   ALA  64          3HB       ALA  64 -26.258  -6.090   2.686
  473   2HB   ALA  64          1HB       ALA  64 -26.626  -6.327   4.395
  474   3HB   ALA  64          2HB       ALA  64 -27.376  -7.361   3.179
  475    H    GLU  65           H        GLU  65 -29.116  -7.541   2.277
  476    HA   GLU  65           HA       GLU  65 -31.709  -7.334   3.771
  477   1HB   GLU  65          1HB       GLU  65 -30.926  -8.546   1.104
  478   2HB   GLU  65          2HB       GLU  65 -32.518  -8.757   1.834
  479   1HG   GLU  65          1HG       GLU  65 -31.586  -5.961   1.754
  480   2HG   GLU  65          2HG       GLU  65 -31.837  -6.686   0.166
  481    H    ASN  66           H        ASN  66 -31.913  -8.841   5.370
  482    HA   ASN  66           HA       ASN  66 -30.713 -11.548   4.953
  483   1HB   ASN  66          1HB       ASN  66 -29.201 -10.077   6.285
  484   2HB   ASN  66          2HB       ASN  66 -30.503  -9.830   7.449
  485   2HD2  ASN  66          2HD2      ASN  66 -27.977 -11.089   8.138
  486   1HD2  ASN  66          1HD2      ASN  66 -28.306 -12.699   8.561
  487    H    GLN  67           H        GLN  67 -33.009 -12.127   4.546
  488    HA   GLN  67           HA       GLN  67 -35.115 -12.943   5.246
  489   1HB   GLN  67          1HB       GLN  67 -33.246 -14.064   6.727
  490   2HB   GLN  67          2HB       GLN  67 -33.937 -13.071   8.010
  491   1HG   GLN  67          1HG       GLN  67 -36.200 -14.020   7.398
  492   2HG   GLN  67          2HG       GLN  67 -35.367 -15.143   6.323
  493   2HE2  GLN  67          2HE2      GLN  67 -36.773 -16.338   8.356
  494   1HE2  GLN  67          1HE2      GLN  67 -35.730 -16.901   9.572
  495    H    LYS  68           H        LYS  68 -35.390 -10.323   5.001
  496    HA   LYS  68           HA       LYS  68 -36.456  -9.291   7.607
  497   1HB   LYS  68          1HB       LYS  68 -34.533  -8.176   6.241
  498   2HB   LYS  68          2HB       LYS  68 -35.821  -7.659   5.152
  499   1HG   LYS  68          1HG       LYS  68 -36.588  -6.111   6.622
  500   2HG   LYS  68          2HG       LYS  68 -36.440  -7.213   7.990
  501   1HD   LYS  68          2HD       LYS  68 -33.812  -6.759   7.417
  502   2HD   LYS  68          1HD       LYS  68 -34.732  -5.829   8.600
  503   1HE   LYS  68          1HE       LYS  68 -34.307  -5.097   5.678
  504   2HE   LYS  68          2HE       LYS  68 -35.318  -4.185   6.816
  505   1HZ   LYS  68          1HZ       LYS  68 -33.386  -3.999   8.288
  506   2HZ   LYS  68          2HZ       LYS  68 -32.428  -4.821   7.155
  507   3HZ   LYS  68          3HZ       LYS  68 -33.067  -3.293   6.776
  508    H    TYR  69           H        TYR  69 -37.094  -9.265   4.076
  509    HA   TYR  69           HA       TYR  69 -39.857  -8.371   4.462
  510   1HB   TYR  69          1HB       TYR  69 -37.961  -8.992   2.258
  511   2HB   TYR  69          2HB       TYR  69 -39.675  -9.163   1.876
  512    HD1  TYR  69           HD1      TYR  69 -37.115  -6.807   3.197
  513    HD2  TYR  69           HD2      TYR  69 -41.080  -7.256   1.608
  514    HE1  TYR  69           HE1      TYR  69 -37.316  -4.343   3.002
  515    HE2  TYR  69           HE2      TYR  69 -41.282  -4.791   1.413
  516    HH   TYR  69           HH       TYR  69 -38.825  -2.638   2.723
  517    H    GLY  70           H        GLY  70 -38.221 -11.417   3.585
  518   1HA   GLY  70          1HA       GLY  70 -40.843 -12.812   3.959
  519   2HA   GLY  70          2HA       GLY  70 -39.585 -13.386   2.864

  No H/Q in entry =         519
  Start of MODEL   17
    1    H1   MET   1          1H        MET   1 -15.887  -5.802   3.539
    2    H2   MET   1          2H        MET   1 -16.361  -5.920   1.911
    3    H3   MET   1          3H        MET   1 -15.321  -4.672   2.408
    4    HA   MET   1           HA       MET   1 -17.053  -3.629   3.680
    5   1HB   MET   1          1HB       MET   1 -17.093  -4.238   0.834
    6   2HB   MET   1          2HB       MET   1 -18.710  -3.861   1.426
    7   1HG   MET   1          2HG       MET   1 -17.597  -1.843   2.601
    8   2HG   MET   1          1HG       MET   1 -17.799  -1.751   0.851
    9   1HE   MET   1          1HE       MET   1 -16.316  -0.172   2.667
   10   2HE   MET   1          2HE       MET   1 -14.643  -0.554   3.097
   11   3HE   MET   1          3HE       MET   1 -15.001   0.266   1.580
   12    H    GLU   2           H        GLU   2 -18.578  -4.211   5.171
   13    HA   GLU   2           HA       GLU   2 -20.326  -5.420   6.212
   14   1HB   GLU   2          1HB       GLU   2 -20.964  -5.424   3.261
   15   2HB   GLU   2          2HB       GLU   2 -22.063  -6.153   4.430
   16   1HG   GLU   2          2HG       GLU   2 -21.558  -3.766   5.642
   17   2HG   GLU   2          1HG       GLU   2 -22.922  -4.042   4.558
   18    H    ILE   3           H        ILE   3 -18.301  -7.032   6.463
   19    HA   ILE   3           HA       ILE   3 -19.274  -9.695   5.519
   20    HB   ILE   3           HB       ILE   3 -16.931 -10.243   4.893
   21   1HG1  ILE   3          1HG1      ILE   3 -16.321  -7.306   5.241
   22   2HG1  ILE   3          2HG1      ILE   3 -16.021  -8.467   6.533
   23   1HG2  ILE   3          1HG2      ILE   3 -18.716  -8.957   3.391
   24   2HG2  ILE   3          2HG2      ILE   3 -17.508  -7.674   3.470
   25   3HG2  ILE   3          3HG2      ILE   3 -17.079  -9.251   2.806
   26   1HD1  ILE   3          1HD1      ILE   3 -15.022  -9.178   3.815
   27   2HD1  ILE   3          2HD1      ILE   3 -14.169  -7.893   4.671
   28   3HD1  ILE   3          3HD1      ILE   3 -14.305  -9.496   5.395
   29    H    ASP   4           H        ASP   4 -18.503 -11.459   6.876
   30    HA   ASP   4           HA       ASP   4 -16.776 -11.172   9.116
   31   1HB   ASP   4          1HB       ASP   4 -18.528 -11.115  10.886
   32   2HB   ASP   4          2HB       ASP   4 -18.474  -9.627   9.941
   33    H    GLU   5           H        GLU   5 -16.147 -13.233   9.049
   34    HA   GLU   5           HA       GLU   5 -17.958 -15.409   9.742
   35   1HB   GLU   5          1HB       GLU   5 -17.780 -14.640   7.053
   36   2HB   GLU   5          2HB       GLU   5 -16.739 -16.058   7.172
   37   1HG   GLU   5          1HG       GLU   5 -18.546 -17.396   7.250
   38   2HG   GLU   5          2HG       GLU   5 -19.121 -16.553   8.689
   39    H    GLY   6           H        GLY   6 -15.316 -14.194  10.530
   40   1HA   GLY   6          1HA       GLY   6 -13.355 -15.087  11.482
   41   2HA   GLY   6          2HA       GLY   6 -13.882 -16.687  10.963
   42    H    LYS   7           H        LYS   7 -13.768 -14.155   8.586
   43    HA   LYS   7           HA       LYS   7 -11.687 -15.620   7.104
   44   1HB   LYS   7          1HB       LYS   7 -13.431 -13.193   6.614
   45   2HB   LYS   7          2HB       LYS   7 -12.224 -13.733   5.447
   46   1HG   LYS   7          1HG       LYS   7 -13.433 -15.584   4.854
   47   2HG   LYS   7          2HG       LYS   7 -14.044 -15.833   6.490
   48   1HD   LYS   7          2HD       LYS   7 -15.233 -13.451   5.802
   49   2HD   LYS   7          1HD       LYS   7 -16.003 -15.031   5.658
   50   1HE   LYS   7          1HE       LYS   7 -14.625 -13.417   3.502
   51   2HE   LYS   7          2HE       LYS   7 -14.902 -15.160   3.323
   52   1HZ   LYS   7          1HZ       LYS   7 -16.991 -13.169   4.054
   53   2HZ   LYS   7          2HZ       LYS   7 -16.781 -13.810   2.495
   54   3HZ   LYS   7          3HZ       LYS   7 -17.233 -14.828   3.775
   55    H    TYR   8           H        TYR   8  -9.531 -15.043   7.130
   56    HA   TYR   8           HA       TYR   8  -8.841 -12.405   8.386
   57   1HB   TYR   8          1HB       TYR   8  -7.643 -15.162   8.452
   58   2HB   TYR   8          2HB       TYR   8  -6.632 -13.757   8.797
   59    HD1  TYR   8           HD1      TYR   8  -9.837 -15.413   9.747
   60    HD2  TYR   8           HD2      TYR   8  -6.707 -12.706  10.915
   61    HE1  TYR   8           HE1      TYR   8 -10.807 -15.285  12.026
   62    HE2  TYR   8           HE2      TYR   8  -7.688 -12.573  13.194
   63    HH   TYR   8           HH       TYR   8  -9.150 -13.574  14.629
   64    H    GLU   9           H        GLU   9  -7.475 -11.042   7.267
   65    HA   GLU   9           HA       GLU   9  -6.673 -11.918   4.523
   66   1HB   GLU   9          1HB       GLU   9  -8.198  -9.926   4.967
   67   2HB   GLU   9          2HB       GLU   9  -6.807  -9.131   5.706
   68   1HG   GLU   9          1HG       GLU   9  -5.552  -9.586   3.532
   69   2HG   GLU   9          2HG       GLU   9  -7.106 -10.049   2.838
   70    H    CYS  10           H        CYS  10  -4.505 -12.091   4.047
   71    HA   CYS  10           HA       CYS  10  -2.515 -11.792   6.151
   72   1HB   CYS  10          1HB       CYS  10  -2.678 -13.409   4.098
   73   2HB   CYS  10          2HB       CYS  10  -1.965 -12.073   3.214
   74    H    GLU  11           H        GLU  11  -1.932  -9.715   6.730
   75    HA   GLU  11           HA       GLU  11  -2.069  -7.429   4.983
   76   1HB   GLU  11          1HB       GLU  11  -1.339  -8.142   7.695
   77   2HB   GLU  11          2HB       GLU  11  -0.174  -7.000   7.030
   78   1HG   GLU  11          1HG       GLU  11  -3.003  -6.376   6.436
   79   2HG   GLU  11          2HG       GLU  11  -2.569  -6.280   8.142
   80    H    ALA  12           H        ALA  12   0.156 -10.034   5.178
   81    HA   ALA  12           HA       ALA  12   2.513  -8.536   4.289
   82   1HB   ALA  12          1HB       ALA  12   1.753 -11.350   4.966
   83   2HB   ALA  12          2HB       ALA  12   3.227 -11.080   4.035
   84   3HB   ALA  12          3HB       ALA  12   3.044 -10.351   5.631
   85    H    CYS  13           H        CYS  13   0.182 -10.836   2.767
   86    HA   CYS  13           HA       CYS  13   1.378 -10.009   0.146
   87   1HB   CYS  13          2HB       CYS  13   1.813 -12.363   1.028
   88   2HB   CYS  13          1HB       CYS  13   1.150 -12.263  -0.599
   89    H    GLY  14           H        GLY  14  -1.623 -10.818   1.854
   90   1HA   GLY  14          1HA       GLY  14  -3.594  -9.396   1.270
   91   2HA   GLY  14          2HA       GLY  14  -3.099  -9.540  -0.416
   92    H    TYR  15           H        TYR  15  -2.820 -12.339   1.592
   93    HA   TYR  15           HA       TYR  15  -4.794 -13.776  -0.045
   94   1HB   TYR  15          1HB       TYR  15  -2.665 -14.805   0.523
   95   2HB   TYR  15          2HB       TYR  15  -2.935 -14.514   2.239
   96    HD1  TYR  15           HD1      TYR  15  -4.798 -15.721   3.428
   97    HD2  TYR  15           HD2      TYR  15  -3.613 -16.698  -0.583
   98    HE1  TYR  15           HE1      TYR  15  -5.964 -17.901   3.614
   99    HE2  TYR  15           HE2      TYR  15  -4.781 -18.877  -0.397
  100    HH   TYR  15           HH       TYR  15  -6.971 -19.648   1.343
  101    H    ILE  16           H        ILE  16  -6.600 -14.961   0.965
  102    HA   ILE  16           HA       ILE  16  -7.532 -13.712   3.532
  103    HB   ILE  16           HB       ILE  16  -8.987 -14.425   0.967
  104   1HG1  ILE  16          2HG1      ILE  16  -8.373 -11.882   2.472
  105   2HG1  ILE  16          1HG1      ILE  16  -9.684 -11.958   1.294
  106   1HG2  ILE  16          1HG2      ILE  16 -10.069 -13.738   3.707
  107   2HG2  ILE  16          2HG2      ILE  16 -11.008 -13.481   2.237
  108   3HG2  ILE  16          3HG2      ILE  16 -10.497 -15.109   2.684
  109   1HD1  ILE  16          1HD1      ILE  16  -7.549 -13.174  -0.015
  110   2HD1  ILE  16          2HD1      ILE  16  -8.121 -11.526  -0.278
  111   3HD1  ILE  16          3HD1      ILE  16  -6.801 -11.832   0.851
  112    H    TYR  17           H        TYR  17  -7.662 -15.250   5.108
  113    HA   TYR  17           HA       TYR  17  -7.704 -18.110   4.440
  114   1HB   TYR  17          1HB       TYR  17  -6.335 -17.345   6.276
  115   2HB   TYR  17          2HB       TYR  17  -7.691 -16.484   7.002
  116    HD1  TYR  17           HD1      TYR  17  -6.559 -19.916   6.014
  117    HD2  TYR  17           HD2      TYR  17  -9.077 -17.560   8.582
  118    HE1  TYR  17           HE1      TYR  17  -7.192 -21.959   7.271
  119    HE2  TYR  17           HE2      TYR  17  -9.708 -19.604   9.837
  120    HH   TYR  17           HH       TYR  17  -9.730 -21.922   9.681
  121    H    GLU  18           H        GLU  18  -9.487 -19.441   4.571
  122    HA   GLU  18           HA       GLU  18 -12.080 -18.191   5.407
  123   1HB   GLU  18          1HB       GLU  18 -11.388 -20.320   3.359
  124   2HB   GLU  18          2HB       GLU  18 -13.037 -19.856   3.775
  125   1HG   GLU  18          1HG       GLU  18 -12.623 -17.568   3.045
  126   2HG   GLU  18          2HG       GLU  18 -10.924 -17.937   2.746
  127    HA   PRO  19           HA       PRO  19 -11.513 -21.408   8.523
  128   1HB   PRO  19          1HB       PRO  19 -13.608 -20.617  10.108
  129   2HB   PRO  19          2HB       PRO  19 -12.002 -19.877  10.158
  130   1HG   PRO  19          1HG       PRO  19 -14.486 -18.909   8.843
  131   2HG   PRO  19          2HG       PRO  19 -13.223 -18.002   9.679
  132   1HD   PRO  19          1HD       PRO  19 -13.429 -18.161   6.958
  133   2HD   PRO  19          2HD       PRO  19 -11.903 -17.875   7.818
  134    H    GLU  20           H        GLU  20 -14.943 -20.572   8.167
  135    HA   GLU  20           HA       GLU  20 -16.059 -23.107   8.351
  136   1HB   GLU  20          1HB       GLU  20 -16.752 -20.478   7.360
  137   2HB   GLU  20          2HB       GLU  20 -17.512 -21.723   6.369
  138   1HG   GLU  20          2HG       GLU  20 -18.082 -22.805   8.710
  139   2HG   GLU  20          1HG       GLU  20 -19.081 -21.497   8.077
  140    H    LYS  21           H        LYS  21 -14.271 -21.781   5.633
  141    HA   LYS  21           HA       LYS  21 -15.132 -23.988   3.850
  142   1HB   LYS  21          1HB       LYS  21 -14.892 -21.526   3.204
  143   2HB   LYS  21          2HB       LYS  21 -13.149 -21.759   3.339
  144   1HG   LYS  21          1HG       LYS  21 -13.233 -22.430   1.177
  145   2HG   LYS  21          2HG       LYS  21 -13.949 -23.919   1.796
  146   1HD   LYS  21          1HD       LYS  21 -15.733 -21.554   1.343
  147   2HD   LYS  21          2HD       LYS  21 -15.201 -22.487  -0.056
  148   1HE   LYS  21          1HE       LYS  21 -15.929 -24.490   1.681
  149   2HE   LYS  21          2HE       LYS  21 -17.112 -23.227   2.070
  150   1HZ   LYS  21          1HZ       LYS  21 -17.285 -22.940  -0.444
  151   2HZ   LYS  21          2HZ       LYS  21 -16.514 -24.446  -0.563
  152   3HZ   LYS  21          3HZ       LYS  21 -18.015 -24.323   0.221
  153    H    GLY  22           H        GLY  22 -12.205 -22.787   5.466
  154   1HA   GLY  22          1HA       GLY  22 -10.460 -24.239   6.286
  155   2HA   GLY  22          2HA       GLY  22 -11.028 -25.495   5.186
  156    H    ASP  23           H        ASP  23  -8.350 -23.997   5.627
  157    HA   ASP  23           HA       ASP  23  -7.860 -22.742   3.014
  158   1HB   ASP  23          1HB       ASP  23  -6.895 -22.134   5.340
  159   2HB   ASP  23          2HB       ASP  23  -5.840 -23.529   5.118
  160    H    LYS  24           H        LYS  24  -8.649 -25.063   2.190
  161    HA   LYS  24           HA       LYS  24  -7.243 -27.432   2.261
  162   1HB   LYS  24          1HB       LYS  24  -9.098 -26.129   0.597
  163   2HB   LYS  24          2HB       LYS  24  -7.818 -26.677  -0.483
  164   1HG   LYS  24          1HG       LYS  24  -8.356 -28.764   1.406
  165   2HG   LYS  24          2HG       LYS  24  -9.889 -28.230   0.720
  166   1HD   LYS  24          2HD       LYS  24  -8.092 -28.327  -1.448
  167   2HD   LYS  24          1HD       LYS  24  -9.410 -29.450  -1.114
  168   1HE   LYS  24          1HE       LYS  24  -6.494 -29.703  -0.345
  169   2HE   LYS  24          2HE       LYS  24  -7.754 -30.644   0.476
  170   1HZ   LYS  24          1HZ       LYS  24  -7.533 -30.477  -2.480
  171   2HZ   LYS  24          2HZ       LYS  24  -6.768 -31.697  -1.581
  172   3HZ   LYS  24          3HZ       LYS  24  -8.462 -31.564  -1.569
  173    H    PHE  25           H        PHE  25  -6.156 -24.436   0.765
  174    HA   PHE  25           HA       PHE  25  -4.012 -25.533  -0.814
  175   1HB   PHE  25          1HB       PHE  25  -4.801 -22.876   0.345
  176   2HB   PHE  25          2HB       PHE  25  -3.203 -23.047  -0.383
  177    HD1  PHE  25           HD1      PHE  25  -2.987 -23.757  -2.773
  178    HD2  PHE  25           HD2      PHE  25  -6.788 -22.844  -0.994
  179    HE1  PHE  25           HE1      PHE  25  -3.994 -23.554  -5.029
  180    HE2  PHE  25           HE2      PHE  25  -7.796 -22.639  -3.251
  181    HZ   PHE  25           HZ       PHE  25  -6.399 -22.996  -5.269
  182    H    ALA  26           H        ALA  26  -4.285 -24.513   2.566
  183    HA   ALA  26           HA       ALA  26  -1.392 -25.014   3.030
  184   1HB   ALA  26          3HB       ALA  26  -2.103 -23.061   4.098
  185   2HB   ALA  26          1HB       ALA  26  -3.693 -23.727   4.467
  186   3HB   ALA  26          2HB       ALA  26  -2.285 -24.239   5.398
  187    H    GLY  27           H        GLY  27  -4.543 -26.446   3.595
  188   1HA   GLY  27          1HA       GLY  27  -4.515 -28.930   3.933
  189   2HA   GLY  27          2HA       GLY  27  -3.195 -28.672   5.072
  190    H    ILE  28           H        ILE  28  -5.885 -26.438   5.004
  191    HA   ILE  28           HA       ILE  28  -6.744 -27.522   7.659
  192    HB   ILE  28           HB       ILE  28  -6.748 -24.759   6.416
  193   1HG1  ILE  28          1HG1      ILE  28  -5.567 -25.166   9.062
  194   2HG1  ILE  28          2HG1      ILE  28  -4.809 -26.165   7.823
  195   1HG2  ILE  28          1HG2      ILE  28  -8.820 -25.102   7.737
  196   2HG2  ILE  28          2HG2      ILE  28  -7.846 -25.629   9.111
  197   3HG2  ILE  28          3HG2      ILE  28  -7.730 -23.967   8.534
  198   1HD1  ILE  28          1HD1      ILE  28  -5.344 -23.384   6.991
  199   2HD1  ILE  28          2HD1      ILE  28  -4.168 -23.543   8.295
  200   3HD1  ILE  28          3HD1      ILE  28  -3.900 -24.370   6.760
  201    HA   PRO  29           HA       PRO  29 -10.474 -28.456   5.308
  202   1HB   PRO  29          1HB       PRO  29 -11.798 -29.701   7.361
  203   2HB   PRO  29          2HB       PRO  29 -10.543 -30.498   6.395
  204   1HG   PRO  29          2HG       PRO  29  -9.619 -30.747   8.488
  205   2HG   PRO  29          1HG       PRO  29 -10.371 -29.269   9.104
  206   1HD   PRO  29          1HD       PRO  29  -8.292 -28.379   8.771
  207   2HD   PRO  29          2HD       PRO  29  -7.852 -29.613   7.574
  208    HA   PRO  30           HA       PRO  30 -13.303 -25.320   6.579
  209   1HB   PRO  30          1HB       PRO  30 -15.769 -26.501   6.505
  210   2HB   PRO  30          2HB       PRO  30 -14.857 -26.078   5.043
  211   1HG   PRO  30          2HG       PRO  30 -15.175 -28.347   4.701
  212   2HG   PRO  30          1HG       PRO  30 -15.109 -28.708   6.433
  213   1HD   PRO  30          1HD       PRO  30 -12.961 -29.347   5.882
  214   2HD   PRO  30          2HD       PRO  30 -12.871 -28.219   4.513
  215    H    GLY  31           H        GLY  31 -15.596 -25.354   8.097
  216   1HA   GLY  31          1HA       GLY  31 -16.211 -25.229  10.370
  217   2HA   GLY  31          2HA       GLY  31 -15.800 -26.944  10.376
  218    H    THR  32           H        THR  32 -13.349 -24.553   9.657
  219    HA   THR  32           HA       THR  32 -12.176 -24.987  12.385
  220    HB   THR  32           HB       THR  32 -10.761 -24.830   9.705
  221    HG1  THR  32           HG1      THR  32 -10.415 -27.100  10.191
  222   1HG2  THR  32          1HG2      THR  32  -9.783 -24.368  12.258
  223   2HG2  THR  32          2HG2      THR  32  -9.390 -26.065  11.974
  224   3HG2  THR  32          3HG2      THR  32  -8.818 -24.827  10.855
  225    HA   PRO  33           HA       PRO  33 -12.402 -20.492  11.958
  226   1HB   PRO  33          1HB       PRO  33 -11.854 -19.936  14.580
  227   2HB   PRO  33          2HB       PRO  33 -13.465 -20.403  14.005
  228   1HG   PRO  33          2HG       PRO  33 -13.135 -22.056  15.575
  229   2HG   PRO  33          1HG       PRO  33 -11.379 -22.047  15.359
  230   1HD   PRO  33          1HD       PRO  33 -11.785 -23.919  14.107
  231   2HD   PRO  33          2HD       PRO  33 -13.470 -23.456  13.790
  232    H    PHE  34           H        PHE  34 -10.773 -18.918  11.793
  233    HA   PHE  34           HA       PHE  34  -8.101 -19.679  11.331
  234   1HB   PHE  34          1HB       PHE  34  -9.069 -17.630  10.499
  235   2HB   PHE  34          2HB       PHE  34  -9.413 -17.068  12.124
  236    HD1  PHE  34           HD1      PHE  34  -7.638 -16.210  13.575
  237    HD2  PHE  34           HD2      PHE  34  -6.797 -17.582   9.592
  238    HE1  PHE  34           HE1      PHE  34  -5.412 -15.125  13.673
  239    HE2  PHE  34           HE2      PHE  34  -4.569 -16.499   9.691
  240    HZ   PHE  34           HZ       PHE  34  -3.875 -15.270  11.731
  241    H    VAL  35           H        VAL  35  -9.709 -18.886  14.346
  242    HA   VAL  35           HA       VAL  35  -7.339 -18.339  15.904
  243    HB   VAL  35           HB       VAL  35  -8.956 -18.663  17.780
  244   1HG1  VAL  35          1HG1      VAL  35  -8.833 -16.574  16.275
  245   2HG1  VAL  35          2HG1      VAL  35 -10.308 -17.183  15.522
  246   3HG1  VAL  35          3HG1      VAL  35 -10.296 -16.781  17.240
  247   1HG2  VAL  35          1HG2      VAL  35 -10.246 -20.293  15.814
  248   2HG2  VAL  35          2HG2      VAL  35 -10.703 -20.052  17.501
  249   3HG2  VAL  35          3HG2      VAL  35 -11.346 -18.984  16.252
  250    H    ASP  36           H        ASP  36  -8.660 -21.255  14.636
  251    HA   ASP  36           HA       ASP  36  -7.419 -22.942  16.744
  252   1HB   ASP  36          1HB       ASP  36  -9.418 -23.215  14.552
  253   2HB   ASP  36          2HB       ASP  36  -8.498 -24.661  14.970
  254    H    LEU  37           H        LEU  37  -6.447 -21.497  13.841
  255    HA   LEU  37           HA       LEU  37  -5.069 -23.459  12.392
  256   1HB   LEU  37          1HB       LEU  37  -4.378 -20.593  13.098
  257   2HB   LEU  37          2HB       LEU  37  -3.504 -21.516  11.875
  258    HG   LEU  37           HG       LEU  37  -6.474 -20.881  11.867
  259   1HD1  LEU  37          1HD1      LEU  37  -4.131 -19.939  10.192
  260   2HD1  LEU  37          2HD1      LEU  37  -5.816 -19.669   9.747
  261   3HD1  LEU  37          3HD1      LEU  37  -5.169 -18.954  11.224
  262   1HD2  LEU  37          1HD2      LEU  37  -4.780 -22.777  10.306
  263   2HD2  LEU  37          2HD2      LEU  37  -6.481 -22.900  10.754
  264   3HD2  LEU  37          3HD2      LEU  37  -5.996 -21.863   9.414
  265    H    SER  38           H        SER  38  -2.684 -23.927  12.424
  266    HA   SER  38           HA       SER  38  -1.813 -24.953  14.946
  267   1HB   SER  38          1HB       SER  38  -1.159 -25.229  12.304
  268   2HB   SER  38          2HB       SER  38   0.220 -24.303  12.895
  269    HG   SER  38           HG       SER  38   0.882 -25.981  13.949
  270    H    ASP  39           H        ASP  39   0.433 -24.268  15.858
  271    HA   ASP  39           HA       ASP  39   0.267 -21.499  16.722
  272   1HB   ASP  39          1HB       ASP  39   2.345 -23.690  17.034
  273   2HB   ASP  39          2HB       ASP  39   2.370 -22.165  17.921
  274    H    SER  40           H        SER  40   1.853 -23.143  14.101
  275    HA   SER  40           HA       SER  40   3.373 -20.629  13.488
  276   1HB   SER  40          1HB       SER  40   4.151 -23.533  13.495
  277   2HB   SER  40          2HB       SER  40   4.967 -22.421  12.397
  278    HG   SER  40           HG       SER  40   4.663 -21.924  15.163
  279    H    PHE  41           H        PHE  41   0.701 -21.413  12.510
  280    HA   PHE  41           HA       PHE  41   0.720 -22.642   9.957
  281   1HB   PHE  41          1HB       PHE  41  -1.358 -22.187  11.011
  282   2HB   PHE  41          2HB       PHE  41  -0.952 -20.507  11.298
  283    HD1  PHE  41           HD1      PHE  41  -1.681 -22.968   8.580
  284    HD2  PHE  41           HD2      PHE  41  -1.531 -18.830   9.723
  285    HE1  PHE  41           HE1      PHE  41  -2.775 -22.336   6.445
  286    HE2  PHE  41           HE2      PHE  41  -2.625 -18.201   7.591
  287    HZ   PHE  41           HZ       PHE  41  -3.245 -19.953   5.951
  288    H    MET  42           H        MET  42   1.773 -22.018   8.120
  289    HA   MET  42           HA       MET  42   2.646 -19.165   7.882
  290   1HB   MET  42          1HB       MET  42   3.583 -21.654   6.413
  291   2HB   MET  42          2HB       MET  42   4.361 -20.073   6.400
  292   1HG   MET  42          1HG       MET  42   4.556 -20.319   8.946
  293   2HG   MET  42          2HG       MET  42   4.127 -22.013   8.707
  294   1HE   MET  42          1HE       MET  42   6.632 -21.073  10.120
  295   2HE   MET  42          2HE       MET  42   8.135 -20.931   9.198
  296   3HE   MET  42          3HE       MET  42   6.936 -19.642   9.138
  297    H    CYS  43           H        CYS  43   2.024 -17.984   6.054
  298    HA   CYS  43           HA       CYS  43  -0.385 -18.509   4.723
  299   1HB   CYS  43          1HB       CYS  43   1.173 -16.424   4.890
  300   2HB   CYS  43          2HB       CYS  43   1.918 -17.071   3.430
  301    HA   PRO  44           HA       PRO  44   0.877 -21.704   1.889
  302   1HB   PRO  44          1HB       PRO  44  -1.377 -21.735   0.340
  303   2HB   PRO  44          2HB       PRO  44  -1.301 -22.467   1.954
  304   1HG   PRO  44          2HG       PRO  44  -3.039 -21.014   2.317
  305   2HG   PRO  44          1HG       PRO  44  -2.471 -19.870   1.095
  306   1HD   PRO  44          1HD       PRO  44  -1.691 -18.684   2.875
  307   2HD   PRO  44          2HD       PRO  44  -1.737 -20.096   3.951
  308    H    ALA  45           H        ALA  45   0.560 -18.419   1.202
  309    HA   ALA  45           HA       ALA  45   1.426 -18.845  -1.633
  310   1HB   ALA  45          1HB       ALA  45  -0.872 -17.838  -1.178
  311   2HB   ALA  45          3HB       ALA  45   0.192 -16.866  -2.195
  312   3HB   ALA  45          2HB       ALA  45  -0.027 -16.447  -0.497
  313    H    CYS  46           H        CYS  46   1.728 -16.715   1.224
  314    HA   CYS  46           HA       CYS  46   4.346 -15.806   0.098
  315   1HB   CYS  46          2HB       CYS  46   2.195 -14.297   0.595
  316   2HB   CYS  46          1HB       CYS  46   3.825 -13.677   0.810
  317    H    ARG  47           H        ARG  47   3.249 -17.987   2.255
  318    HA   ARG  47           HA       ARG  47   4.189 -19.062   4.123
  319   1HB   ARG  47          1HB       ARG  47   6.559 -17.638   2.889
  320   2HB   ARG  47          2HB       ARG  47   6.701 -18.880   4.134
  321   1HG   ARG  47          1HG       ARG  47   5.056 -20.149   2.389
  322   2HG   ARG  47          2HG       ARG  47   5.976 -19.145   1.267
  323   1HD   ARG  47          1HD       ARG  47   8.089 -20.036   2.193
  324   2HD   ARG  47          2HD       ARG  47   7.168 -21.039   3.328
  325    HE   ARG  47           HE       ARG  47   6.429 -21.331   0.485
  326   1HH1  ARG  47          1HH1      ARG  47   9.295 -22.154   1.748
  327   2HH1  ARG  47          2HH1      ARG  47   9.064 -23.870   1.757
  328   1HH2  ARG  47          1HH2      ARG  47   5.662 -23.682   1.112
  329   2HH2  ARG  47          2HH2      ARG  47   7.007 -24.735   1.397
  330    H    SER  48           H        SER  48   3.220 -16.148   4.488
  331    HA   SER  48           HA       SER  48   5.008 -14.985   6.478
  332   1HB   SER  48          1HB       SER  48   3.634 -13.442   5.370
  333   2HB   SER  48          2HB       SER  48   2.233 -14.512   5.421
  334    HG   SER  48           HG       SER  48   1.864 -13.983   7.475
  335    HA   PRO  49           HA       PRO  49   3.613 -17.228  10.001
  336   1HB   PRO  49          1HB       PRO  49   3.752 -15.313  11.955
  337   2HB   PRO  49          2HB       PRO  49   5.185 -16.092  11.257
  338   1HG   PRO  49          2HG       PRO  49   5.686 -13.887  10.802
  339   2HG   PRO  49          1HG       PRO  49   3.984 -13.427  10.655
  340   1HD   PRO  49          1HD       PRO  49   4.433 -13.546   8.409
  341   2HD   PRO  49          2HD       PRO  49   5.792 -14.666   8.644
  342    H    LYS  50           H        LYS  50   1.612 -17.698  10.924
  343    HA   LYS  50           HA       LYS  50  -0.791 -16.566  10.074
  344   1HB   LYS  50          1HB       LYS  50  -0.451 -18.712  11.304
  345   2HB   LYS  50          2HB       LYS  50  -0.157 -17.792  12.778
  346   1HG   LYS  50          1HG       LYS  50  -2.457 -16.709  12.346
  347   2HG   LYS  50          2HG       LYS  50  -2.720 -18.023  11.199
  348   1HD   LYS  50          1HD       LYS  50  -2.615 -19.671  12.880
  349   2HD   LYS  50          2HD       LYS  50  -1.793 -18.594  14.010
  350   1HE   LYS  50          1HE       LYS  50  -3.926 -17.175  14.006
  351   2HE   LYS  50          2HE       LYS  50  -4.705 -18.531  13.169
  352   1HZ   LYS  50          1HZ       LYS  50  -3.150 -18.795  15.690
  353   2HZ   LYS  50          2HZ       LYS  50  -4.844 -18.664  15.638
  354   3HZ   LYS  50          3HZ       LYS  50  -4.077 -19.999  14.930
  355    H    ASN  51           H        ASN  51   1.325 -15.410  12.642
  356    HA   ASN  51           HA       ASN  51  -0.585 -13.665  13.904
  357   1HB   ASN  51          1HB       ASN  51   1.626 -14.472  14.808
  358   2HB   ASN  51          2HB       ASN  51   2.427 -13.389  13.670
  359   2HD2  ASN  51          2HD2      ASN  51   3.171 -12.569  16.010
  360   1HD2  ASN  51          1HD2      ASN  51   2.223 -11.322  16.666
  361    H    GLN  52           H        GLN  52   0.885 -13.537  10.827
  362    HA   GLN  52           HA       GLN  52   0.843 -10.592  10.641
  363   1HB   GLN  52          1HB       GLN  52   2.166 -12.776   9.410
  364   2HB   GLN  52          2HB       GLN  52   1.191 -12.017   8.153
  365   1HG   GLN  52          1HG       GLN  52   3.058 -10.504  10.003
  366   2HG   GLN  52          2HG       GLN  52   3.486 -11.019   8.371
  367   2HE2  GLN  52          2HE2      GLN  52   1.118 -10.476   6.961
  368   1HE2  GLN  52          1HE2      GLN  52   0.792  -8.811   7.012
  369    H    PHE  53           H        PHE  53  -1.484 -13.035  10.472
  370    HA   PHE  53           HA       PHE  53  -2.983 -11.876   8.198
  371   1HB   PHE  53          1HB       PHE  53  -3.472 -14.113  10.185
  372   2HB   PHE  53          2HB       PHE  53  -4.607 -13.686   8.910
  373    HD1  PHE  53           HD1      PHE  53  -0.992 -14.552   9.411
  374    HD2  PHE  53           HD2      PHE  53  -4.390 -14.627   6.786
  375    HE1  PHE  53           HE1      PHE  53   0.305 -15.882   7.773
  376    HE2  PHE  53           HE2      PHE  53  -3.093 -15.959   5.147
  377    HZ   PHE  53           HZ       PHE  53  -0.745 -16.586   5.639
  378    H    LYS  54           H        LYS  54  -4.413 -10.217   8.494
  379    HA   LYS  54           HA       LYS  54  -5.201  -9.496  11.268
  380   1HB   LYS  54          1HB       LYS  54  -4.213  -7.787   9.807
  381   2HB   LYS  54          2HB       LYS  54  -5.449  -8.092   8.586
  382   1HG   LYS  54          2HG       LYS  54  -6.902  -7.627  10.924
  383   2HG   LYS  54          1HG       LYS  54  -6.675  -6.487   9.599
  384   1HD   LYS  54          1HD       LYS  54  -4.566  -6.756  11.729
  385   2HD   LYS  54          2HD       LYS  54  -4.917  -5.378  10.685
  386   1HE   LYS  54          1HE       LYS  54  -6.459  -4.552  12.146
  387   2HE   LYS  54          2HE       LYS  54  -7.192  -6.148  12.391
  388   1HZ   LYS  54          1HZ       LYS  54  -4.502  -5.515  13.447
  389   2HZ   LYS  54          2HZ       LYS  54  -5.895  -5.113  14.334
  390   3HZ   LYS  54          3HZ       LYS  54  -5.577  -6.733  13.944
  391    H    SER  55           H        SER  55  -7.326  -9.597  11.947
  392    HA   SER  55           HA       SER  55  -9.186 -11.206  10.365
  393   1HB   SER  55          1HB       SER  55 -10.293  -9.924  12.725
  394   2HB   SER  55          2HB       SER  55  -9.985 -11.625  12.446
  395    HG   SER  55           HG       SER  55  -8.771 -10.726  14.194
  396    H    ILE  56           H        ILE  56 -11.299 -10.472   9.676
  397    HA   ILE  56           HA       ILE  56 -11.773  -7.533   9.665
  398    HB   ILE  56           HB       ILE  56 -10.416  -8.070   7.681
  399   1HG1  ILE  56          2HG1      ILE  56 -13.252  -7.209   7.470
  400   2HG1  ILE  56          1HG1      ILE  56 -12.443  -7.608   5.953
  401   1HG2  ILE  56          1HG2      ILE  56 -11.854 -10.470   7.743
  402   2HG2  ILE  56          2HG2      ILE  56 -12.422  -9.651   6.288
  403   3HG2  ILE  56          3HG2      ILE  56 -10.702  -9.973   6.504
  404   1HD1  ILE  56          1HD1      ILE  56 -10.878  -5.949   7.851
  405   2HD1  ILE  56          2HD1      ILE  56 -11.013  -5.829   6.098
  406   3HD1  ILE  56          3HD1      ILE  56 -12.282  -5.165   7.127
  407    H    LYS  57           H        LYS  57 -13.538  -8.346  11.128
  408    HA   LYS  57           HA       LYS  57 -15.831  -9.455   9.539
  409   1HB   LYS  57          2HB       LYS  57 -16.455 -10.663  11.592
  410   2HB   LYS  57          1HB       LYS  57 -15.095  -9.933  12.446
  411   1HG   LYS  57          2HG       LYS  57 -14.305 -11.229   9.938
  412   2HG   LYS  57          1HG       LYS  57 -15.030 -12.350  11.091
  413   1HD   LYS  57          2HD       LYS  57 -12.819 -10.405  11.807
  414   2HD   LYS  57          1HD       LYS  57 -12.529 -12.081  11.339
  415   1HE   LYS  57          1HE       LYS  57 -12.731 -11.555  13.884
  416   2HE   LYS  57          2HE       LYS  57 -14.471 -11.438  13.562
  417   1HZ   LYS  57          1HZ       LYS  57 -14.256 -13.607  12.371
  418   2HZ   LYS  57          2HZ       LYS  57 -12.670 -13.729  12.969
  419   3HZ   LYS  57          3HZ       LYS  57 -13.987 -13.711  14.042
  420    H    LYS  58           H        LYS  58 -16.203  -7.008   9.280
  421    HA   LYS  58           HA       LYS  58 -17.730  -5.987  11.652
  422   1HB   LYS  58          1HB       LYS  58 -15.635  -4.730   9.900
  423   2HB   LYS  58          2HB       LYS  58 -16.870  -3.706  10.631
  424   1HG   LYS  58          2HG       LYS  58 -15.926  -5.505  12.639
  425   2HG   LYS  58          1HG       LYS  58 -15.749  -3.751  12.580
  426   1HD   LYS  58          2HD       LYS  58 -13.934  -5.474  10.917
  427   2HD   LYS  58          1HD       LYS  58 -13.603  -5.277  12.638
  428   1HE   LYS  58          1HE       LYS  58 -13.932  -3.002  10.643
  429   2HE   LYS  58          2HE       LYS  58 -13.551  -2.826  12.366
  430   1HZ   LYS  58          1HZ       LYS  58 -11.589  -4.212  12.026
  431   2HZ   LYS  58          2HZ       LYS  58 -11.949  -4.357  10.375
  432   3HZ   LYS  58          3HZ       LYS  58 -11.528  -2.844  11.021
  433    H    VAL  59           H        VAL  59 -19.224  -4.100  10.851
  434    HA   VAL  59           HA       VAL  59 -20.191  -4.544   8.064
  435    HB   VAL  59           HB       VAL  59 -22.494  -4.833   8.979
  436   1HG1  VAL  59          1HG1      VAL  59 -20.990  -6.790   8.509
  437   2HG1  VAL  59          2HG1      VAL  59 -20.516  -6.776  10.207
  438   3HG1  VAL  59          3HG1      VAL  59 -22.189  -7.110   9.763
  439   1HG2  VAL  59          1HG2      VAL  59 -21.714  -3.608  11.179
  440   2HG2  VAL  59          2HG2      VAL  59 -22.950  -4.863  11.268
  441   3HG2  VAL  59          3HG2      VAL  59 -21.280  -5.237  11.697
  442    H    ILE  60           H        ILE  60 -21.670  -2.790   7.376
  443    HA   ILE  60           HA       ILE  60 -21.196  -0.260   8.917
  444    HB   ILE  60           HB       ILE  60 -21.804  -0.721   5.977
  445   1HG1  ILE  60          1HG1      ILE  60 -19.171  -0.098   7.350
  446   2HG1  ILE  60          2HG1      ILE  60 -19.615  -1.665   6.674
  447   1HG2  ILE  60          1HG2      ILE  60 -21.780   1.625   7.647
  448   2HG2  ILE  60          2HG2      ILE  60 -20.463   1.730   6.479
  449   3HG2  ILE  60          3HG2      ILE  60 -22.121   1.508   5.920
  450   1HD1  ILE  60          1HD1      ILE  60 -19.892   0.694   4.879
  451   2HD1  ILE  60          2HD1      ILE  60 -18.250   0.180   5.263
  452   3HD1  ILE  60          3HD1      ILE  60 -19.373  -0.949   4.503
  453    H    ALA  61           H        ALA  61 -23.031   0.370   9.994
  454    HA   ALA  61           HA       ALA  61 -25.689  -0.276   8.761
  455   1HB   ALA  61          3HB       ALA  61 -26.500  -0.272  11.074
  456   2HB   ALA  61          2HB       ALA  61 -24.924   0.274  11.647
  457   3HB   ALA  61          1HB       ALA  61 -25.097  -1.334  10.946
  458    H    GLY  62           H        GLY  62 -27.193   1.474  10.397
  459   1HA   GLY  62          1HA       GLY  62 -26.358   4.103   9.265
  460   2HA   GLY  62          2HA       GLY  62 -28.016   3.665   9.676
  461    H    PHE  63           H        PHE  63 -28.727   4.005  11.783
  462    HA   PHE  63           HA       PHE  63 -26.850   4.493  13.981
  463   1HB   PHE  63          2HB       PHE  63 -26.738   6.576  12.637
  464   2HB   PHE  63          1HB       PHE  63 -27.467   6.876  14.215
  465    HD1  PHE  63           HD1      PHE  63 -29.894   7.244  14.435
  466    HD2  PHE  63           HD2      PHE  63 -28.054   6.672  10.596
  467    HE1  PHE  63           HE1      PHE  63 -31.942   8.096  13.327
  468    HE2  PHE  63           HE2      PHE  63 -30.101   7.524   9.487
  469    HZ   PHE  63           HZ       PHE  63 -32.046   8.236  10.853
  470    H    ALA  64           H        ALA  64 -28.030   4.882  16.022
  471    HA   ALA  64           HA       ALA  64 -30.981   4.424  15.896
  472   1HB   ALA  64          3HB       ALA  64 -29.863   2.246  16.120
  473   2HB   ALA  64          1HB       ALA  64 -28.934   2.847  17.493
  474   3HB   ALA  64          2HB       ALA  64 -30.681   2.652  17.628
  475    H    GLU  65           H        GLU  65 -29.972   6.901  16.447
  476    HA   GLU  65           HA       GLU  65 -29.888   7.120  19.431
  477   1HB   GLU  65          1HB       GLU  65 -28.911   9.367  18.897
  478   2HB   GLU  65          2HB       GLU  65 -27.975   8.035  18.220
  479   1HG   GLU  65          1HG       GLU  65 -28.621   8.506  16.047
  480   2HG   GLU  65          2HG       GLU  65 -30.156   9.217  16.547
  481    H    ASN  66           H        ASN  66 -32.435   6.668  18.319
  482    HA   ASN  66           HA       ASN  66 -33.946   8.920  17.530
  483   1HB   ASN  66          1HB       ASN  66 -35.836   7.598  18.501
  484   2HB   ASN  66          2HB       ASN  66 -34.752   6.606  17.528
  485   2HD2  ASN  66          2HD2      ASN  66 -36.445   6.420  20.320
  486   1HD2  ASN  66          1HD2      ASN  66 -35.403   5.456  21.252
  487    H    GLN  67           H        GLN  67 -35.219  10.426  18.781
  488    HA   GLN  67           HA       GLN  67 -34.995  10.507  21.702
  489   1HB   GLN  67          1HB       GLN  67 -33.659  12.578  21.734
  490   2HB   GLN  67          2HB       GLN  67 -32.775  11.297  20.905
  491   1HG   GLN  67          1HG       GLN  67 -34.027  12.312  18.778
  492   2HG   GLN  67          2HG       GLN  67 -34.047  13.760  19.784
  493   2HE2  GLN  67          2HE2      GLN  67 -32.461  14.768  18.289
  494   1HE2  GLN  67          1HE2      GLN  67 -30.825  14.317  18.350
  495    H    LYS  68           H        LYS  68 -37.066  10.635  19.515
  496    HA   LYS  68           HA       LYS  68 -38.113  13.398  19.719
  497   1HB   LYS  68          1HB       LYS  68 -38.296  11.117  17.958
  498   2HB   LYS  68          2HB       LYS  68 -39.915  11.644  18.416
  499   1HG   LYS  68          1HG       LYS  68 -38.128  13.884  17.813
  500   2HG   LYS  68          2HG       LYS  68 -38.341  12.797  16.441
  501   1HD   LYS  68          2HD       LYS  68 -40.877  12.917  17.057
  502   2HD   LYS  68          1HD       LYS  68 -40.148  14.277  16.203
  503   1HE   LYS  68          1HE       LYS  68 -41.554  14.469  18.588
  504   2HE   LYS  68          2HE       LYS  68 -39.860  14.501  19.115
  505   1HZ   LYS  68          1HZ       LYS  68 -40.863  16.077  16.808
  506   2HZ   LYS  68          2HZ       LYS  68 -40.817  16.705  18.382
  507   3HZ   LYS  68          3HZ       LYS  68 -39.375  16.241  17.612
  508    H    TYR  69           H        TYR  69 -38.044  12.174  22.242
  509    HA   TYR  69           HA       TYR  69 -40.827  11.211  22.739
  510   1HB   TYR  69          1HB       TYR  69 -38.173  11.082  24.163
  511   2HB   TYR  69          2HB       TYR  69 -39.671  10.763  25.040
  512    HD1  TYR  69           HD1      TYR  69 -41.379   9.296  23.349
  513    HD2  TYR  69           HD2      TYR  69 -37.092   9.120  23.539
  514    HE1  TYR  69           HE1      TYR  69 -41.432   6.998  22.419
  515    HE2  TYR  69           HE2      TYR  69 -37.144   6.822  22.610
  516    HH   TYR  69           HH       TYR  69 -39.874   4.943  22.505
  517    H    GLY  70           H        GLY  70 -41.301  11.981  25.278
  518   1HA   GLY  70          1HA       GLY  70 -40.567  14.646  25.998
  519   2HA   GLY  70          2HA       GLY  70 -42.086  14.698  25.103

  No H/Q in entry =         519
  Start of MODEL   18
    1    H1   MET   1          1H        MET   1 -13.834  -6.182   3.172
    2    H2   MET   1          2H        MET   1 -14.036  -7.271   1.887
    3    H3   MET   1          3H        MET   1 -13.077  -5.884   1.680
    4    HA   MET   1           HA       MET   1 -14.915  -4.450   1.664
    5   1HB   MET   1          1HB       MET   1 -14.481  -6.351  -0.181
    6   2HB   MET   1          2HB       MET   1 -16.107  -6.829   0.308
    7   1HG   MET   1          1HG       MET   1 -16.740  -4.351   0.001
    8   2HG   MET   1          2HG       MET   1 -15.203  -4.187  -0.848
    9   1HE   MET   1          1HE       MET   1 -18.306  -3.980  -1.169
   10   2HE   MET   1          2HE       MET   1 -18.004  -3.685  -2.879
   11   3HE   MET   1          3HE       MET   1 -19.055  -5.013  -2.393
   12    H    GLU   2           H        GLU   2 -16.242  -7.744   2.214
   13    HA   GLU   2           HA       GLU   2 -18.080  -6.569   4.259
   14   1HB   GLU   2          1HB       GLU   2 -19.186  -6.686   2.040
   15   2HB   GLU   2          2HB       GLU   2 -18.827  -8.412   1.964
   16   1HG   GLU   2          1HG       GLU   2 -20.281  -8.904   3.775
   17   2HG   GLU   2          2HG       GLU   2 -20.365  -7.215   4.272
   18    H    ILE   3           H        ILE   3 -16.391  -7.723   5.641
   19    HA   ILE   3           HA       ILE   3 -16.826 -10.691   5.696
   20    HB   ILE   3           HB       ILE   3 -14.605  -8.979   6.865
   21   1HG1  ILE   3          1HG1      ILE   3 -13.551 -10.530   4.822
   22   2HG1  ILE   3          2HG1      ILE   3 -15.104 -10.012   4.167
   23   1HG2  ILE   3          1HG2      ILE   3 -15.205 -11.909   6.786
   24   2HG2  ILE   3          2HG2      ILE   3 -13.522 -11.402   6.658
   25   3HG2  ILE   3          3HG2      ILE   3 -14.473 -10.951   8.073
   26   1HD1  ILE   3          1HD1      ILE   3 -14.440  -7.652   5.008
   27   2HD1  ILE   3          2HD1      ILE   3 -12.806  -8.306   5.125
   28   3HD1  ILE   3          3HD1      ILE   3 -13.630  -8.264   3.565
   29    H    ASP   4           H        ASP   4 -16.649 -11.564   8.060
   30    HA   ASP   4           HA       ASP   4 -17.272  -9.842  10.287
   31   1HB   ASP   4          1HB       ASP   4 -19.323 -10.074   8.483
   32   2HB   ASP   4          2HB       ASP   4 -19.711 -11.362   9.622
   33    H    GLU   5           H        GLU   5 -17.478 -13.068   8.847
   34    HA   GLU   5           HA       GLU   5 -17.865 -14.430  11.401
   35   1HB   GLU   5          2HB       GLU   5 -17.618 -16.420   9.976
   36   2HB   GLU   5          1HB       GLU   5 -16.980 -15.424   8.668
   37   1HG   GLU   5          2HG       GLU   5 -19.542 -14.444   9.705
   38   2HG   GLU   5          1HG       GLU   5 -19.650 -16.074   9.039
   39    H    GLY   6           H        GLY   6 -15.759 -16.498  10.521
   40   1HA   GLY   6          1HA       GLY   6 -13.531 -15.221  11.977
   41   2HA   GLY   6          2HA       GLY   6 -13.670 -16.936  11.605
   42    H    LYS   7           H        LYS   7 -14.094 -14.337   9.231
   43    HA   LYS   7           HA       LYS   7 -12.055 -15.575   7.517
   44   1HB   LYS   7          1HB       LYS   7 -14.206 -13.562   7.376
   45   2HB   LYS   7          2HB       LYS   7 -12.813 -13.193   6.359
   46   1HG   LYS   7          1HG       LYS   7 -12.963 -15.349   5.266
   47   2HG   LYS   7          2HG       LYS   7 -14.214 -15.881   6.388
   48   1HD   LYS   7          1HD       LYS   7 -15.821 -14.404   5.475
   49   2HD   LYS   7          2HD       LYS   7 -14.593 -13.430   4.667
   50   1HE   LYS   7          1HE       LYS   7 -14.084 -15.801   3.483
   51   2HE   LYS   7          2HE       LYS   7 -15.812 -16.017   3.823
   52   1HZ   LYS   7          1HZ       LYS   7 -14.610 -13.614   2.543
   53   2HZ   LYS   7          2HZ       LYS   7 -15.415 -14.852   1.703
   54   3HZ   LYS   7          3HZ       LYS   7 -16.265 -13.888   2.809
   55    H    TYR   8           H        TYR   8  -9.904 -15.045   7.672
   56    HA   TYR   8           HA       TYR   8  -9.187 -12.455   8.997
   57   1HB   TYR   8          1HB       TYR   8  -7.979 -15.194   8.778
   58   2HB   TYR   8          2HB       TYR   8  -6.907 -13.820   9.051
   59    HD1  TYR   8           HD1      TYR   8 -10.126 -15.260  10.308
   60    HD2  TYR   8           HD2      TYR   8  -6.538 -13.095  11.244
   61    HE1  TYR   8           HE1      TYR   8 -10.763 -15.256  12.703
   62    HE2  TYR   8           HE2      TYR   8  -7.180 -13.079  13.642
   63    HH   TYR   8           HH       TYR   8 -10.220 -13.733  14.740
   64    H    GLU   9           H        GLU   9  -7.547 -11.139   8.022
   65    HA   GLU   9           HA       GLU   9  -7.032 -11.728   5.125
   66   1HB   GLU   9          1HB       GLU   9  -8.592  -9.860   5.543
   67   2HB   GLU   9          2HB       GLU   9  -7.398  -9.092   6.589
   68   1HG   GLU   9          1HG       GLU   9  -6.124  -9.716   4.107
   69   2HG   GLU   9          2HG       GLU   9  -7.641  -8.891   3.748
   70    H    CYS  10           H        CYS  10  -4.872 -12.071   4.734
   71    HA   CYS  10           HA       CYS  10  -2.823 -11.754   6.709
   72   1HB   CYS  10          1HB       CYS  10  -2.994 -13.185   4.533
   73   2HB   CYS  10          2HB       CYS  10  -2.377 -11.748   3.739
   74    H    GLU  11           H        GLU  11  -2.254  -9.733   7.464
   75    HA   GLU  11           HA       GLU  11  -2.500  -7.297   5.936
   76   1HB   GLU  11          1HB       GLU  11  -1.725  -8.219   8.558
   77   2HB   GLU  11          2HB       GLU  11  -0.540  -7.052   7.975
   78   1HG   GLU  11          1HG       GLU  11  -3.544  -6.633   8.075
   79   2HG   GLU  11          2HG       GLU  11  -2.366  -5.907   9.168
   80    H    ALA  12           H        ALA  12  -0.229  -9.867   5.850
   81    HA   ALA  12           HA       ALA  12   2.077  -8.260   5.022
   82   1HB   ALA  12          1HB       ALA  12   1.424 -10.960   5.863
   83   2HB   ALA  12          2HB       ALA  12   2.481 -10.977   4.451
   84   3HB   ALA  12          3HB       ALA  12   2.976 -10.125   5.914
   85    H    CYS  13           H        CYS  13  -0.294 -10.438   3.387
   86    HA   CYS  13           HA       CYS  13   0.812  -9.367   0.816
   87   1HB   CYS  13          2HB       CYS  13   1.353 -11.778   1.491
   88   2HB   CYS  13          1HB       CYS  13   0.682 -11.547  -0.118
   89    H    GLY  14           H        GLY  14  -2.094 -10.281   2.602
   90   1HA   GLY  14          1HA       GLY  14  -4.125  -8.939   2.177
   91   2HA   GLY  14          2HA       GLY  14  -3.669  -8.888   0.476
   92    H    TYR  15           H        TYR  15  -3.249 -11.915   2.077
   93    HA   TYR  15           HA       TYR  15  -5.235 -13.177   0.341
   94   1HB   TYR  15          1HB       TYR  15  -3.123 -14.271   0.841
   95   2HB   TYR  15          2HB       TYR  15  -3.416 -14.140   2.574
   96    HD1  TYR  15           HD1      TYR  15  -5.095 -15.544   3.682
   97    HD2  TYR  15           HD2      TYR  15  -4.284 -15.928  -0.519
   98    HE1  TYR  15           HE1      TYR  15  -6.300 -17.711   3.648
   99    HE2  TYR  15           HE2      TYR  15  -5.489 -18.097  -0.552
  100    HH   TYR  15           HH       TYR  15  -7.482 -19.116   1.077
  101    H    ILE  16           H        ILE  16  -6.919 -14.671   1.367
  102    HA   ILE  16           HA       ILE  16  -7.968 -13.505   3.922
  103    HB   ILE  16           HB       ILE  16  -9.396 -14.226   1.349
  104   1HG1  ILE  16          1HG1      ILE  16  -8.221 -12.053   1.393
  105   2HG1  ILE  16          2HG1      ILE  16  -9.970 -11.835   1.344
  106   1HG2  ILE  16          1HG2      ILE  16 -10.504 -13.377   4.042
  107   2HG2  ILE  16          2HG2      ILE  16 -11.443 -13.406   2.550
  108   3HG2  ILE  16          3HG2      ILE  16 -10.801 -14.908   3.216
  109   1HD1  ILE  16          1HD1      ILE  16  -9.469 -11.957   4.055
  110   2HD1  ILE  16          2HD1      ILE  16  -8.042 -11.117   3.450
  111   3HD1  ILE  16          3HD1      ILE  16  -9.650 -10.466   3.131
  112    H    TYR  17           H        TYR  17  -7.905 -15.114   5.416
  113    HA   TYR  17           HA       TYR  17  -7.941 -17.947   4.650
  114   1HB   TYR  17          1HB       TYR  17  -6.499 -17.216   6.444
  115   2HB   TYR  17          2HB       TYR  17  -7.839 -16.420   7.270
  116    HD1  TYR  17           HD1      TYR  17  -6.570 -19.760   6.172
  117    HD2  TYR  17           HD2      TYR  17  -9.225 -17.617   8.786
  118    HE1  TYR  17           HE1      TYR  17  -7.093 -21.868   7.376
  119    HE2  TYR  17           HE2      TYR  17  -9.748 -19.725   9.979
  120    HH   TYR  17           HH       TYR  17  -9.074 -21.876  10.295
  121    H    GLU  18           H        GLU  18  -9.686 -19.305   4.779
  122    HA   GLU  18           HA       GLU  18 -12.261 -18.174   5.819
  123   1HB   GLU  18          1HB       GLU  18 -11.661 -20.218   3.653
  124   2HB   GLU  18          2HB       GLU  18 -13.281 -19.715   4.139
  125   1HG   GLU  18          1HG       GLU  18 -13.112 -17.698   3.075
  126   2HG   GLU  18          2HG       GLU  18 -11.406 -17.513   3.484
  127    HA   PRO  19           HA       PRO  19 -11.424 -21.532   8.730
  128   1HB   PRO  19          1HB       PRO  19 -13.431 -20.863  10.479
  129   2HB   PRO  19          2HB       PRO  19 -11.839 -20.097  10.467
  130   1HG   PRO  19          1HG       PRO  19 -14.412 -19.113   9.350
  131   2HG   PRO  19          2HG       PRO  19 -13.122 -18.224  10.165
  132   1HD   PRO  19          1HD       PRO  19 -13.468 -18.232   7.458
  133   2HD   PRO  19          2HD       PRO  19 -11.898 -17.984   8.249
  134    H    GLU  20           H        GLU  20 -14.887 -20.749   8.610
  135    HA   GLU  20           HA       GLU  20 -15.987 -23.279   8.781
  136   1HB   GLU  20          1HB       GLU  20 -17.005 -20.893   8.522
  137   2HB   GLU  20          2HB       GLU  20 -17.020 -21.262   6.798
  138   1HG   GLU  20          1HG       GLU  20 -18.484 -23.107   7.094
  139   2HG   GLU  20          2HG       GLU  20 -18.198 -23.156   8.834
  140    H    LYS  21           H        LYS  21 -14.351 -21.897   5.992
  141    HA   LYS  21           HA       LYS  21 -15.152 -24.213   4.299
  142   1HB   LYS  21          1HB       LYS  21 -14.839 -21.490   3.865
  143   2HB   LYS  21          2HB       LYS  21 -13.360 -22.169   3.187
  144   1HG   LYS  21          1HG       LYS  21 -15.889 -23.594   2.535
  145   2HG   LYS  21          2HG       LYS  21 -15.666 -22.012   1.789
  146   1HD   LYS  21          1HD       LYS  21 -13.796 -22.690   0.588
  147   2HD   LYS  21          2HD       LYS  21 -13.382 -23.952   1.749
  148   1HE   LYS  21          1HE       LYS  21 -14.508 -25.479   0.510
  149   2HE   LYS  21          2HE       LYS  21 -15.986 -24.504   0.616
  150   1HZ   LYS  21          1HZ       LYS  21 -14.845 -23.008  -1.083
  151   2HZ   LYS  21          2HZ       LYS  21 -13.779 -24.303  -1.352
  152   3HZ   LYS  21          3HZ       LYS  21 -15.436 -24.495  -1.652
  153    H    GLY  22           H        GLY  22 -12.453 -22.923   6.100
  154   1HA   GLY  22          1HA       GLY  22 -10.438 -24.035   6.647
  155   2HA   GLY  22          2HA       GLY  22 -10.923 -25.360   5.589
  156    H    ASP  23           H        ASP  23  -8.339 -23.859   5.773
  157    HA   ASP  23           HA       ASP  23  -8.157 -22.353   3.257
  158   1HB   ASP  23          1HB       ASP  23  -6.932 -21.890   5.452
  159   2HB   ASP  23          2HB       ASP  23  -5.951 -23.312   5.100
  160    H    LYS  24           H        LYS  24  -9.043 -24.619   2.335
  161    HA   LYS  24           HA       LYS  24  -7.600 -26.949   1.991
  162   1HB   LYS  24          1HB       LYS  24  -9.767 -25.731   0.854
  163   2HB   LYS  24          2HB       LYS  24  -8.647 -25.762  -0.506
  164   1HG   LYS  24          1HG       LYS  24  -8.369 -28.289   0.628
  165   2HG   LYS  24          2HG       LYS  24 -10.100 -27.967   0.750
  166   1HD   LYS  24          1HD       LYS  24  -8.991 -27.140  -1.828
  167   2HD   LYS  24          2HD       LYS  24  -8.770 -28.862  -1.523
  168   1HE   LYS  24          1HE       LYS  24 -11.438 -27.976  -0.732
  169   2HE   LYS  24          2HE       LYS  24 -11.118 -27.664  -2.448
  170   1HZ   LYS  24          1HZ       LYS  24 -10.335 -30.217  -1.173
  171   2HZ   LYS  24          2HZ       LYS  24 -11.904 -30.000  -1.789
  172   3HZ   LYS  24          3HZ       LYS  24 -10.564 -29.884  -2.822
  173    H    PHE  25           H        PHE  25  -6.827 -23.795   0.643
  174    HA   PHE  25           HA       PHE  25  -4.910 -24.632  -1.327
  175   1HB   PHE  25          1HB       PHE  25  -5.962 -22.231  -0.124
  176   2HB   PHE  25          2HB       PHE  25  -4.207 -22.106  -0.232
  177    HD1  PHE  25           HD1      PHE  25  -3.091 -22.619  -2.480
  178    HD2  PHE  25           HD2      PHE  25  -7.318 -21.998  -2.044
  179    HE1  PHE  25           HE1      PHE  25  -3.278 -22.179  -4.914
  180    HE2  PHE  25           HE2      PHE  25  -7.506 -21.559  -4.477
  181    HZ   PHE  25           HZ       PHE  25  -5.486 -21.649  -5.912
  182    H    ALA  26           H        ALA  26  -4.700 -24.041   2.154
  183    HA   ALA  26           HA       ALA  26  -1.755 -24.479   2.102
  184   1HB   ALA  26          3HB       ALA  26  -2.480 -22.589   3.375
  185   2HB   ALA  26          1HB       ALA  26  -3.771 -23.513   4.141
  186   3HB   ALA  26          2HB       ALA  26  -2.089 -23.832   4.563
  187    H    GLY  27           H        GLY  27  -4.760 -25.997   3.114
  188   1HA   GLY  27          1HA       GLY  27  -4.606 -28.523   3.181
  189   2HA   GLY  27          2HA       GLY  27  -3.158 -28.299   4.160
  190    H    ILE  28           H        ILE  28  -5.913 -26.185   4.642
  191    HA   ILE  28           HA       ILE  28  -6.366 -27.526   7.280
  192    HB   ILE  28           HB       ILE  28  -6.675 -24.686   6.272
  193   1HG1  ILE  28          1HG1      ILE  28  -5.134 -25.392   8.709
  194   2HG1  ILE  28          2HG1      ILE  28  -4.459 -25.947   7.177
  195   1HG2  ILE  28          1HG2      ILE  28  -7.892 -26.055   8.598
  196   2HG2  ILE  28          2HG2      ILE  28  -7.089 -24.528   8.964
  197   3HG2  ILE  28          3HG2      ILE  28  -8.391 -24.577   7.775
  198   1HD1  ILE  28          1HD1      ILE  28  -5.434 -23.118   7.406
  199   2HD1  ILE  28          2HD1      ILE  28  -3.862 -23.544   8.082
  200   3HD1  ILE  28          3HD1      ILE  28  -4.177 -23.784   6.364
  201    HA   PRO  29           HA       PRO  29 -10.306 -28.562   5.407
  202   1HB   PRO  29          1HB       PRO  29 -11.394 -29.785   7.603
  203   2HB   PRO  29          2HB       PRO  29 -10.210 -30.573   6.542
  204   1HG   PRO  29          1HG       PRO  29  -9.810 -29.253   9.187
  205   2HG   PRO  29          2HG       PRO  29  -9.091 -30.740   8.551
  206   1HD   PRO  29          1HD       PRO  29  -7.778 -28.356   8.620
  207   2HD   PRO  29          2HD       PRO  29  -7.459 -29.607   7.402
  208    HA   PRO  30           HA       PRO  30 -13.047 -25.435   6.860
  209   1HB   PRO  30          1HB       PRO  30 -15.510 -26.612   6.737
  210   2HB   PRO  30          2HB       PRO  30 -14.600 -26.129   5.292
  211   1HG   PRO  30          1HG       PRO  30 -14.895 -28.814   6.548
  212   2HG   PRO  30          2HG       PRO  30 -14.897 -28.368   4.834
  213   1HD   PRO  30          1HD       PRO  30 -12.736 -29.448   6.098
  214   2HD   PRO  30          2HD       PRO  30 -12.600 -28.343   4.713
  215    H    GLY  31           H        GLY  31 -15.364 -25.567   8.360
  216   1HA   GLY  31          1HA       GLY  31 -16.006 -25.558  10.626
  217   2HA   GLY  31          2HA       GLY  31 -15.514 -27.251  10.583
  218    H    THR  32           H        THR  32 -13.270 -24.589  10.024
  219    HA   THR  32           HA       THR  32 -12.096 -25.051  12.739
  220    HB   THR  32           HB       THR  32 -10.639 -24.986  10.079
  221    HG1  THR  32           HG1      THR  32 -10.553 -27.130  10.252
  222   1HG2  THR  32          1HG2      THR  32  -9.770 -24.646  12.818
  223   2HG2  THR  32          2HG2      THR  32  -9.050 -26.097  12.120
  224   3HG2  THR  32          3HG2      THR  32  -8.826 -24.535  11.331
  225    HA   PRO  33           HA       PRO  33 -12.266 -20.564  12.289
  226   1HB   PRO  33          1HB       PRO  33 -11.568 -19.992  14.873
  227   2HB   PRO  33          2HB       PRO  33 -13.209 -20.465  14.398
  228   1HG   PRO  33          1HG       PRO  33 -11.044 -22.096  15.635
  229   2HG   PRO  33          2HG       PRO  33 -12.783 -22.106  15.957
  230   1HD   PRO  33          1HD       PRO  33 -11.522 -23.977  14.423
  231   2HD   PRO  33          2HD       PRO  33 -13.224 -23.518  14.204
  232    H    PHE  34           H        PHE  34 -10.604 -18.987  12.036
  233    HA   PHE  34           HA       PHE  34  -7.989 -19.781  11.408
  234   1HB   PHE  34          1HB       PHE  34  -8.804 -17.656  10.706
  235   2HB   PHE  34          2HB       PHE  34  -9.239 -17.189  12.341
  236    HD1  PHE  34           HD1      PHE  34  -7.392 -16.739  14.036
  237    HD2  PHE  34           HD2      PHE  34  -6.630 -17.251   9.833
  238    HE1  PHE  34           HE1      PHE  34  -5.166 -15.679  14.305
  239    HE2  PHE  34           HE2      PHE  34  -4.406 -16.198  10.110
  240    HZ   PHE  34           HZ       PHE  34  -3.673 -15.408  12.343
  241    H    VAL  35           H        VAL  35  -9.304 -18.759  14.531
  242    HA   VAL  35           HA       VAL  35  -6.833 -18.542  15.937
  243    HB   VAL  35           HB       VAL  35  -9.331 -17.871  16.442
  244   1HG1  VAL  35          1HG1      VAL  35  -9.116 -20.567  17.816
  245   2HG1  VAL  35          2HG1      VAL  35 -10.370 -19.368  18.135
  246   3HG1  VAL  35          3HG1      VAL  35 -10.262 -20.131  16.548
  247   1HG2  VAL  35          1HG2      VAL  35  -7.381 -18.800  18.562
  248   2HG2  VAL  35          2HG2      VAL  35  -7.417 -17.213  17.790
  249   3HG2  VAL  35          3HG2      VAL  35  -8.739 -17.710  18.847
  250    H    ASP  36           H        ASP  36  -8.426 -21.330  14.714
  251    HA   ASP  36           HA       ASP  36  -7.115 -23.138  16.683
  252   1HB   ASP  36          1HB       ASP  36  -9.397 -23.186  14.811
  253   2HB   ASP  36          2HB       ASP  36  -8.489 -24.695  14.889
  254    H    LEU  37           H        LEU  37  -6.259 -21.648  13.813
  255    HA   LEU  37           HA       LEU  37  -5.195 -23.678  12.162
  256   1HB   LEU  37          1HB       LEU  37  -4.413 -20.837  12.825
  257   2HB   LEU  37          2HB       LEU  37  -3.533 -21.765  11.610
  258    HG   LEU  37           HG       LEU  37  -6.524 -21.237  11.597
  259   1HD1  LEU  37          1HD1      LEU  37  -4.875 -19.312  11.075
  260   2HD1  LEU  37          2HD1      LEU  37  -4.480 -20.227   9.620
  261   3HD1  LEU  37          3HD1      LEU  37  -6.127 -19.656   9.882
  262   1HD2  LEU  37          1HD2      LEU  37  -4.795 -23.121  10.177
  263   2HD2  LEU  37          2HD2      LEU  37  -6.555 -23.063  10.262
  264   3HD2  LEU  37          3HD2      LEU  37  -5.696 -22.077   9.077
  265    H    SER  38           H        SER  38  -2.860 -24.298  11.957
  266    HA   SER  38           HA       SER  38  -1.781 -25.498  14.263
  267   1HB   SER  38          1HB       SER  38  -0.590 -24.526  11.657
  268   2HB   SER  38          2HB       SER  38   0.349 -25.456  12.825
  269    HG   SER  38           HG       SER  38  -2.045 -26.228  11.523
  270    H    ASP  39           H        ASP  39   0.389 -24.905  15.280
  271    HA   ASP  39           HA       ASP  39   0.272 -22.309  16.502
  272   1HB   ASP  39          1HB       ASP  39   1.880 -24.753  16.549
  273   2HB   ASP  39          2HB       ASP  39   2.853 -23.310  16.829
  274    H    SER  40           H        SER  40   2.136 -23.604  13.770
  275    HA   SER  40           HA       SER  40   3.151 -20.827  13.256
  276   1HB   SER  40          1HB       SER  40   4.793 -22.607  14.061
  277   2HB   SER  40          2HB       SER  40   4.498 -23.443  12.537
  278    HG   SER  40           HG       SER  40   5.241 -20.722  12.640
  279    H    PHE  41           H        PHE  41   0.717 -21.481  12.154
  280    HA   PHE  41           HA       PHE  41   0.803 -22.826   9.620
  281   1HB   PHE  41          1HB       PHE  41  -1.304 -22.511  10.627
  282   2HB   PHE  41          2HB       PHE  41  -0.981 -20.834  11.016
  283    HD1  PHE  41           HD1      PHE  41  -1.666 -23.172   8.196
  284    HD2  PHE  41           HD2      PHE  41  -1.567 -19.084   9.513
  285    HE1  PHE  41           HE1      PHE  41  -2.789 -22.467   6.101
  286    HE2  PHE  41           HE2      PHE  41  -2.697 -18.383   7.420
  287    HZ   PHE  41           HZ       PHE  41  -3.308 -20.075   5.714
  288    H    MET  42           H        MET  42   1.718 -22.133   7.725
  289    HA   MET  42           HA       MET  42   2.658 -19.311   7.540
  290   1HB   MET  42          1HB       MET  42   3.186 -21.654   5.685
  291   2HB   MET  42          2HB       MET  42   4.120 -20.168   5.821
  292   1HG   MET  42          1HG       MET  42   4.667 -20.797   8.191
  293   2HG   MET  42          2HG       MET  42   3.869 -22.346   7.915
  294   1HE   MET  42          1HE       MET  42   5.259 -23.727   8.399
  295   2HE   MET  42          2HE       MET  42   5.760 -24.561   6.930
  296   3HE   MET  42          3HE       MET  42   6.973 -23.878   8.022
  297    H    CYS  43           H        CYS  43   1.949 -17.956   5.840
  298    HA   CYS  43           HA       CYS  43  -0.694 -18.315   4.822
  299   1HB   CYS  43          1HB       CYS  43   0.651 -16.195   5.172
  300   2HB   CYS  43          2HB       CYS  43   1.538 -16.604   3.705
  301    HA   PRO  44           HA       PRO  44   0.305 -20.969   1.388
  302   1HB   PRO  44          1HB       PRO  44  -2.119 -20.875   0.128
  303   2HB   PRO  44          2HB       PRO  44  -1.829 -21.833   1.591
  304   1HG   PRO  44          1HG       PRO  44  -3.177 -19.203   1.277
  305   2HG   PRO  44          2HG       PRO  44  -3.545 -20.535   2.380
  306   1HD   PRO  44          1HD       PRO  44  -2.203 -18.231   3.087
  307   2HD   PRO  44          2HD       PRO  44  -2.098 -19.771   3.964
  308    H    ALA  45           H        ALA  45  -0.261 -17.640   1.270
  309    HA   ALA  45           HA       ALA  45   0.154 -17.548  -1.692
  310   1HB   ALA  45          3HB       ALA  45  -1.726 -16.285  -1.480
  311   2HB   ALA  45          2HB       ALA  45  -0.639 -15.038  -0.872
  312   3HB   ALA  45          1HB       ALA  45  -1.493 -16.087   0.257
  313    H    CYS  46           H        CYS  46   1.201 -16.163   1.420
  314    HA   CYS  46           HA       CYS  46   3.637 -15.179  -0.010
  315   1HB   CYS  46          2HB       CYS  46   1.780 -13.538   0.825
  316   2HB   CYS  46          1HB       CYS  46   3.468 -13.130   1.098
  317    H    ARG  47           H        ARG  47   2.705 -17.533   2.008
  318    HA   ARG  47           HA       ARG  47   3.835 -18.903   3.554
  319   1HB   ARG  47          1HB       ARG  47   5.516 -18.158   1.562
  320   2HB   ARG  47          2HB       ARG  47   6.408 -17.555   2.959
  321   1HG   ARG  47          1HG       ARG  47   6.262 -19.780   4.016
  322   2HG   ARG  47          2HG       ARG  47   5.362 -20.385   2.625
  323   1HD   ARG  47          1HD       ARG  47   7.995 -19.062   2.091
  324   2HD   ARG  47          2HD       ARG  47   8.013 -20.696   2.780
  325    HE   ARG  47           HE       ARG  47   6.353 -20.074   0.365
  326   1HH1  ARG  47          1HH1      ARG  47   9.305 -21.343   1.429
  327   2HH1  ARG  47          2HH1      ARG  47   9.206 -22.797   0.494
  328   1HH2  ARG  47          1HH2      ARG  47   5.965 -22.196  -0.584
  329   2HH2  ARG  47          2HH2      ARG  47   7.316 -23.280  -0.646
  330    H    SER  48           H        SER  48   3.176 -15.876   4.339
  331    HA   SER  48           HA       SER  48   5.178 -15.268   6.368
  332   1HB   SER  48          1HB       SER  48   2.414 -14.286   5.657
  333   2HB   SER  48          2HB       SER  48   3.250 -13.684   7.084
  334    HG   SER  48           HG       SER  48   4.037 -12.344   5.651
  335    HA   PRO  49           HA       PRO  49   3.627 -17.702   9.681
  336   1HB   PRO  49          1HB       PRO  49   3.930 -16.043  11.836
  337   2HB   PRO  49          2HB       PRO  49   5.294 -16.831  11.020
  338   1HG   PRO  49          1HG       PRO  49   4.289 -14.036  10.777
  339   2HG   PRO  49          2HG       PRO  49   5.953 -14.638  10.801
  340   1HD   PRO  49          1HD       PRO  49   4.634 -13.910   8.519
  341   2HD   PRO  49          2HD       PRO  49   5.944 -15.109   8.559
  342    H    LYS  50           H        LYS  50   1.646 -18.122  10.669
  343    HA   LYS  50           HA       LYS  50  -0.715 -16.808   9.987
  344   1HB   LYS  50          1HB       LYS  50  -0.411 -19.054  11.057
  345   2HB   LYS  50          2HB       LYS  50  -0.075 -18.243  12.585
  346   1HG   LYS  50          1HG       LYS  50  -2.342 -17.073  12.272
  347   2HG   LYS  50          2HG       LYS  50  -2.658 -18.274  11.019
  348   1HD   LYS  50          1HD       LYS  50  -2.666 -20.048  12.539
  349   2HD   LYS  50          2HD       LYS  50  -1.691 -19.173  13.720
  350   1HE   LYS  50          1HE       LYS  50  -4.454 -18.191  13.001
  351   2HE   LYS  50          2HE       LYS  50  -4.230 -19.453  14.226
  352   1HZ   LYS  50          1HZ       LYS  50  -2.421 -17.912  15.132
  353   2HZ   LYS  50          2HZ       LYS  50  -3.148 -16.696  14.194
  354   3HZ   LYS  50          3HZ       LYS  50  -4.035 -17.465  15.419
  355    H    ASN  51           H        ASN  51   1.549 -15.956  12.546
  356    HA   ASN  51           HA       ASN  51  -0.161 -14.256  14.078
  357   1HB   ASN  51          1HB       ASN  51   2.748 -14.691  13.626
  358   2HB   ASN  51          2HB       ASN  51   2.298 -13.145  14.348
  359   2HD2  ASN  51          2HD2      ASN  51   2.171 -16.672  14.829
  360   1HD2  ASN  51          1HD2      ASN  51   1.803 -16.603  16.485
  361    H    GLN  52           H        GLN  52   1.096 -13.895  10.890
  362    HA   GLN  52           HA       GLN  52   0.984 -10.952  10.905
  363   1HB   GLN  52          1HB       GLN  52   2.156 -13.054   9.381
  364   2HB   GLN  52          2HB       GLN  52   1.097 -12.154   8.295
  365   1HG   GLN  52          1HG       GLN  52   3.251 -10.956  10.065
  366   2HG   GLN  52          2HG       GLN  52   3.351 -11.164   8.317
  367   2HE2  GLN  52          2HE2      GLN  52   0.700 -10.368   7.599
  368   1HE2  GLN  52          1HE2      GLN  52   0.509  -8.722   7.968
  369    H    PHE  53           H        PHE  53  -1.348 -13.382  10.797
  370    HA   PHE  53           HA       PHE  53  -3.049 -12.161   8.722
  371   1HB   PHE  53          1HB       PHE  53  -3.283 -14.427  10.704
  372   2HB   PHE  53          2HB       PHE  53  -4.648 -13.931   9.708
  373    HD1  PHE  53           HD1      PHE  53  -0.992 -14.725   9.354
  374    HD2  PHE  53           HD2      PHE  53  -4.920 -14.932   7.627
  375    HE1  PHE  53           HE1      PHE  53  -0.085 -16.021   7.443
  376    HE2  PHE  53           HE2      PHE  53  -4.013 -16.227   5.717
  377    HZ   PHE  53           HZ       PHE  53  -1.596 -16.772   5.625
  378    H    LYS  54           H        LYS  54  -4.649 -10.672   9.109
  379    HA   LYS  54           HA       LYS  54  -5.267 -10.004  11.970
  380   1HB   LYS  54          1HB       LYS  54  -4.124  -8.479   9.902
  381   2HB   LYS  54          2HB       LYS  54  -5.789  -7.907  10.024
  382   1HG   LYS  54          1HG       LYS  54  -4.164  -8.307  12.521
  383   2HG   LYS  54          2HG       LYS  54  -3.947  -6.842  11.562
  384   1HD   LYS  54          1HD       LYS  54  -6.750  -7.294  11.801
  385   2HD   LYS  54          2HD       LYS  54  -6.051  -7.465  13.412
  386   1HE   LYS  54          1HE       LYS  54  -5.054  -5.268  13.298
  387   2HE   LYS  54          2HE       LYS  54  -5.460  -5.116  11.578
  388   1HZ   LYS  54          1HZ       LYS  54  -7.811  -5.372  12.179
  389   2HZ   LYS  54          2HZ       LYS  54  -7.390  -5.424  13.824
  390   3HZ   LYS  54          3HZ       LYS  54  -7.128  -4.008  12.929
  391    H    SER  55           H        SER  55  -7.360 -10.556  12.451
  392    HA   SER  55           HA       SER  55  -9.307 -11.493  10.660
  393   1HB   SER  55          1HB       SER  55  -9.656 -11.877  12.944
  394   2HB   SER  55          2HB       SER  55  -9.349 -10.198  13.366
  395    HG   SER  55           HG       SER  55 -11.441 -10.074  13.351
  396    H    ILE  56           H        ILE  56 -11.543 -10.280  10.504
  397    HA   ILE  56           HA       ILE  56 -11.370  -7.377  10.064
  398    HB   ILE  56           HB       ILE  56 -10.289  -8.296   8.063
  399   1HG1  ILE  56          1HG1      ILE  56 -12.986  -7.678   6.979
  400   2HG1  ILE  56          2HG1      ILE  56 -12.285  -6.474   8.058
  401   1HG2  ILE  56          1HG2      ILE  56 -12.226 -10.354   8.421
  402   2HG2  ILE  56          2HG2      ILE  56 -12.514  -9.629   6.840
  403   3HG2  ILE  56          3HG2      ILE  56 -10.925 -10.287   7.232
  404   1HD1  ILE  56          1HD1      ILE  56 -10.787  -7.654   5.705
  405   2HD1  ILE  56          2HD1      ILE  56 -11.722  -6.162   5.602
  406   3HD1  ILE  56          3HD1      ILE  56 -10.328  -6.256   6.679
  407    H    LYS  57           H        LYS  57 -13.202  -7.354  11.510
  408    HA   LYS  57           HA       LYS  57 -15.654  -8.794  10.622
  409   1HB   LYS  57          1HB       LYS  57 -14.470  -8.464  13.051
  410   2HB   LYS  57          2HB       LYS  57 -15.612  -7.120  13.073
  411   1HG   LYS  57          1HG       LYS  57 -17.328  -8.912  12.225
  412   2HG   LYS  57          2HG       LYS  57 -16.167 -10.071  12.873
  413   1HD   LYS  57          1HD       LYS  57 -16.692  -9.560  15.021
  414   2HD   LYS  57          2HD       LYS  57 -16.722  -7.828  14.691
  415   1HE   LYS  57          1HE       LYS  57 -18.953  -8.857  13.317
  416   2HE   LYS  57          2HE       LYS  57 -18.955  -9.677  14.890
  417   1HZ   LYS  57          1HZ       LYS  57 -18.402  -6.779  14.661
  418   2HZ   LYS  57          2HZ       LYS  57 -19.999  -7.354  14.762
  419   3HZ   LYS  57          3HZ       LYS  57 -18.903  -7.652  16.025
  420    H    LYS  58           H        LYS  58 -15.382  -6.982   8.760
  421    HA   LYS  58           HA       LYS  58 -16.982  -4.595   9.633
  422   1HB   LYS  58          1HB       LYS  58 -14.548  -4.980   7.986
  423   2HB   LYS  58          2HB       LYS  58 -15.719  -3.831   7.337
  424   1HG   LYS  58          1HG       LYS  58 -14.643  -3.767  10.173
  425   2HG   LYS  58          2HG       LYS  58 -14.043  -2.760   8.855
  426   1HD   LYS  58          1HD       LYS  58 -16.816  -2.425   8.770
  427   2HD   LYS  58          2HD       LYS  58 -16.432  -2.426  10.491
  428   1HE   LYS  58          1HE       LYS  58 -14.986  -0.564  10.292
  429   2HE   LYS  58          2HE       LYS  58 -14.807  -0.782   8.540
  430   1HZ   LYS  58          1HZ       LYS  58 -17.446  -0.295   9.794
  431   2HZ   LYS  58          2HZ       LYS  58 -16.443   0.994   9.327
  432   3HZ   LYS  58          3HZ       LYS  58 -17.002  -0.107   8.165
  433    H    VAL  59           H        VAL  59 -18.837  -4.174   8.436
  434    HA   VAL  59           HA       VAL  59 -19.283  -5.765   5.939
  435    HB   VAL  59           HB       VAL  59 -20.320  -6.826   7.949
  436   1HG1  VAL  59          1HG1      VAL  59 -20.718  -4.371   8.909
  437   2HG1  VAL  59          2HG1      VAL  59 -22.279  -4.571   8.110
  438   3HG1  VAL  59          3HG1      VAL  59 -21.776  -5.709   9.359
  439   1HG2  VAL  59          1HG2      VAL  59 -22.095  -5.636   5.813
  440   2HG2  VAL  59          2HG2      VAL  59 -21.447  -7.273   5.907
  441   3HG2  VAL  59          3HG2      VAL  59 -22.719  -6.763   7.016
  442    H    ILE  60           H        ILE  60 -20.780  -4.732   4.451
  443    HA   ILE  60           HA       ILE  60 -21.601  -1.944   5.141
  444    HB   ILE  60           HB       ILE  60 -19.377  -1.890   4.074
  445   1HG1  ILE  60          1HG1      ILE  60 -20.506  -0.837   1.755
  446   2HG1  ILE  60          2HG1      ILE  60 -21.795  -0.701   2.951
  447   1HG2  ILE  60          1HG2      ILE  60 -19.742  -4.089   2.856
  448   2HG2  ILE  60          2HG2      ILE  60 -20.707  -3.191   1.684
  449   3HG2  ILE  60          3HG2      ILE  60 -18.995  -2.818   1.889
  450   1HD1  ILE  60          1HD1      ILE  60 -19.893   0.211   4.506
  451   2HD1  ILE  60          2HD1      ILE  60 -19.043   0.510   2.991
  452   3HD1  ILE  60          3HD1      ILE  60 -20.598   1.282   3.296
  453    H    ALA  61           H        ALA  61 -23.503  -1.300   4.073
  454    HA   ALA  61           HA       ALA  61 -24.917  -3.441   2.551
  455   1HB   ALA  61          3HB       ALA  61 -26.496  -2.779   4.036
  456   2HB   ALA  61          1HB       ALA  61 -25.573  -1.342   4.473
  457   3HB   ALA  61          2HB       ALA  61 -26.647  -1.309   3.075
  458    H    GLY  62           H        GLY  62 -26.750  -1.798   1.193
  459   1HA   GLY  62          1HA       GLY  62 -25.074  -0.854  -1.023
  460   2HA   GLY  62          2HA       GLY  62 -26.837  -0.929  -1.015
  461    H    PHE  63           H        PHE  63 -26.767   1.275  -1.927
  462    HA   PHE  63           HA       PHE  63 -25.636   3.484  -0.418
  463   1HB   PHE  63          1HB       PHE  63 -27.202   2.973  -2.868
  464   2HB   PHE  63          2HB       PHE  63 -27.521   4.536  -2.117
  465    HD1  PHE  63           HD1      PHE  63 -24.793   2.325  -3.375
  466    HD2  PHE  63           HD2      PHE  63 -25.952   6.308  -2.263
  467    HE1  PHE  63           HE1      PHE  63 -22.663   3.201  -4.291
  468    HE2  PHE  63           HE2      PHE  63 -23.822   7.185  -3.179
  469    HZ   PHE  63           HZ       PHE  63 -22.176   5.631  -4.193
  470    H    ALA  64           H        ALA  64 -26.895   5.148   0.684
  471    HA   ALA  64           HA       ALA  64 -29.537   4.166   1.723
  472   1HB   ALA  64          1HB       ALA  64 -27.198   5.571   3.034
  473   2HB   ALA  64          3HB       ALA  64 -27.904   4.012   3.462
  474   3HB   ALA  64          2HB       ALA  64 -28.789   5.501   3.790
  475    H    GLU  65           H        GLU  65 -30.097   5.553  -0.364
  476    HA   GLU  65           HA       GLU  65 -30.077   8.474   0.215
  477   1HB   GLU  65          1HB       GLU  65 -29.337   7.556  -1.979
  478   2HB   GLU  65          2HB       GLU  65 -30.945   6.872  -2.214
  479   1HG   GLU  65          1HG       GLU  65 -31.786   8.860  -2.877
  480   2HG   GLU  65          2HG       GLU  65 -31.067   9.696  -1.501
  481    H    ASN  66           H        ASN  66 -31.780   6.953   1.913
  482    HA   ASN  66           HA       ASN  66 -34.332   8.261   1.419
  483   1HB   ASN  66          1HB       ASN  66 -35.615   6.193   1.041
  484   2HB   ASN  66          2HB       ASN  66 -34.377   6.374  -0.200
  485   2HD2  ASN  66          2HD2      ASN  66 -35.676   3.870   1.036
  486   1HD2  ASN  66          1HD2      ASN  66 -34.357   2.918   1.523
  487    H    GLN  67           H        GLN  67 -32.335   7.960   3.586
  488    HA   GLN  67           HA       GLN  67 -32.314   7.650   5.928
  489   1HB   GLN  67          1HB       GLN  67 -34.765   8.652   5.103
  490   2HB   GLN  67          2HB       GLN  67 -35.219   7.276   6.109
  491   1HG   GLN  67          1HG       GLN  67 -33.050   8.915   7.241
  492   2HG   GLN  67          2HG       GLN  67 -34.579   9.776   7.069
  493   2HE2  GLN  67          2HE2      GLN  67 -34.163   9.530   9.634
  494   1HE2  GLN  67          1HE2      GLN  67 -34.925   8.188  10.343
  495    H    LYS  68           H        LYS  68 -32.970   6.030   7.668
  496    HA   LYS  68           HA       LYS  68 -33.406   3.322   6.448
  497   1HB   LYS  68          1HB       LYS  68 -31.524   4.470   8.448
  498   2HB   LYS  68          2HB       LYS  68 -32.123   2.846   8.788
  499   1HG   LYS  68          1HG       LYS  68 -30.870   1.941   7.139
  500   2HG   LYS  68          2HG       LYS  68 -31.367   3.179   5.985
  501   1HD   LYS  68          1HD       LYS  68 -29.713   4.732   6.882
  502   2HD   LYS  68          2HD       LYS  68 -29.268   3.579   8.139
  503   1HE   LYS  68          1HE       LYS  68 -29.134   2.462   5.411
  504   2HE   LYS  68          2HE       LYS  68 -27.986   3.780   5.713
  505   1HZ   LYS  68          1HZ       LYS  68 -28.426   1.639   7.706
  506   2HZ   LYS  68          2HZ       LYS  68 -27.322   1.422   6.437
  507   3HZ   LYS  68          3HZ       LYS  68 -27.097   2.686   7.551
  508    H    TYR  69           H        TYR  69 -34.908   1.964   7.490
  509    HA   TYR  69           HA       TYR  69 -36.503   3.239   9.690
  510   1HB   TYR  69          1HB       TYR  69 -37.163   2.178   7.143
  511   2HB   TYR  69          2HB       TYR  69 -37.809   1.051   8.335
  512    HD1  TYR  69           HD1      TYR  69 -37.542   4.748   7.729
  513    HD2  TYR  69           HD2      TYR  69 -39.899   1.502   9.268
  514    HE1  TYR  69           HE1      TYR  69 -39.396   6.322   8.212
  515    HE2  TYR  69           HE2      TYR  69 -41.752   3.077   9.751
  516    HH   TYR  69           HH       TYR  69 -42.018   6.055   8.450
  517    H    GLY  70           H        GLY  70 -36.231   2.241  11.646
  518   1HA   GLY  70          1HA       GLY  70 -36.560   0.125  12.920
  519   2HA   GLY  70          2HA       GLY  70 -35.657  -0.695  11.647

  No H/Q in entry =         519
  Start of MODEL   19
    1    H1   MET   1          1H        MET   1 -17.476  -3.190   1.262
    2    H2   MET   1          2H        MET   1 -16.954  -2.139   2.490
    3    H3   MET   1          3H        MET   1 -15.898  -2.569   1.232
    4    HA   MET   1           HA       MET   1 -15.722  -4.800   2.004
    5   1HB   MET   1          1HB       MET   1 -15.428  -2.473   3.856
    6   2HB   MET   1          2HB       MET   1 -15.154  -4.083   4.524
    7   1HG   MET   1          1HG       MET   1 -13.563  -4.525   2.628
    8   2HG   MET   1          2HG       MET   1 -13.753  -2.841   2.138
    9   1HE   MET   1          1HE       MET   1 -13.429  -0.850   3.761
   10   2HE   MET   1          2HE       MET   1 -11.799  -0.760   4.423
   11   3HE   MET   1          3HE       MET   1 -12.045  -1.198   2.726
   12    H    GLU   2           H        GLU   2 -16.466  -6.472   3.472
   13    HA   GLU   2           HA       GLU   2 -18.641  -6.065   5.338
   14   1HB   GLU   2          1HB       GLU   2 -20.392  -7.148   3.937
   15   2HB   GLU   2          2HB       GLU   2 -19.818  -5.645   3.215
   16   1HG   GLU   2          1HG       GLU   2 -18.121  -7.769   2.319
   17   2HG   GLU   2          2HG       GLU   2 -19.797  -8.262   2.074
   18    H    ILE   3           H        ILE   3 -16.828  -7.411   6.337
   19    HA   ILE   3           HA       ILE   3 -17.335 -10.318   5.813
   20    HB   ILE   3           HB       ILE   3 -14.658  -8.997   6.366
   21   1HG1  ILE   3          1HG1      ILE   3 -15.689 -10.175   3.770
   22   2HG1  ILE   3          2HG1      ILE   3 -15.659  -8.446   4.119
   23   1HG2  ILE   3          1HG2      ILE   3 -15.531 -11.825   5.750
   24   2HG2  ILE   3          2HG2      ILE   3 -13.863 -11.290   5.547
   25   3HG2  ILE   3          3HG2      ILE   3 -14.614 -11.253   7.143
   26   1HD1  ILE   3          1HD1      ILE   3 -13.222 -10.251   4.190
   27   2HD1  ILE   3          2HD1      ILE   3 -13.657  -9.216   2.828
   28   3HD1  ILE   3          3HD1      ILE   3 -13.238  -8.497   4.384
   29    H    ASP   4           H        ASP   4 -16.518 -11.642   7.743
   30    HA   ASP   4           HA       ASP   4 -15.906 -10.620  10.304
   31   1HB   ASP   4          1HB       ASP   4 -17.925  -9.342  10.291
   32   2HB   ASP   4          2HB       ASP   4 -18.853 -10.670   9.604
   33    H    GLU   5           H        GLU   5 -17.398 -13.107   8.354
   34    HA   GLU   5           HA       GLU   5 -17.791 -15.091  10.391
   35   1HB   GLU   5          1HB       GLU   5 -17.835 -14.801   7.483
   36   2HB   GLU   5          2HB       GLU   5 -17.254 -16.389   7.984
   37   1HG   GLU   5          1HG       GLU   5 -19.282 -16.416   9.586
   38   2HG   GLU   5          2HG       GLU   5 -19.897 -15.074   8.621
   39    H    GLY   6           H        GLY   6 -15.509 -14.369  11.374
   40   1HA   GLY   6          1HA       GLY   6 -13.283 -14.946  11.837
   41   2HA   GLY   6          2HA       GLY   6 -13.765 -16.559  11.322
   42    H    LYS   7           H        LYS   7 -14.011 -13.946   9.022
   43    HA   LYS   7           HA       LYS   7 -12.044 -15.276   7.288
   44   1HB   LYS   7          1HB       LYS   7 -14.202 -13.309   7.129
   45   2HB   LYS   7          2HB       LYS   7 -12.801 -12.826   6.171
   46   1HG   LYS   7          1HG       LYS   7 -12.802 -15.215   5.245
   47   2HG   LYS   7          2HG       LYS   7 -14.397 -15.389   5.976
   48   1HD   LYS   7          1HD       LYS   7 -15.391 -14.021   4.440
   49   2HD   LYS   7          2HD       LYS   7 -14.000 -12.940   4.353
   50   1HE   LYS   7          1HE       LYS   7 -12.846 -15.014   3.174
   51   2HE   LYS   7          2HE       LYS   7 -14.523 -15.481   2.834
   52   1HZ   LYS   7          1HZ       LYS   7 -13.580 -12.709   2.408
   53   2HZ   LYS   7          2HZ       LYS   7 -13.374 -13.890   1.204
   54   3HZ   LYS   7          3HZ       LYS   7 -14.934 -13.479   1.737
   55    H    TYR   8           H        TYR   8  -9.879 -14.818   7.449
   56    HA   TYR   8           HA       TYR   8  -9.086 -12.200   8.677
   57   1HB   TYR   8          1HB       TYR   8  -7.939 -14.980   8.556
   58   2HB   TYR   8          2HB       TYR   8  -6.868 -13.614   8.863
   59    HD1  TYR   8           HD1      TYR   8 -10.347 -14.536   9.949
   60    HD2  TYR   8           HD2      TYR   8  -6.384 -13.362  11.128
   61    HE1  TYR   8           HE1      TYR   8 -11.063 -14.522  12.322
   62    HE2  TYR   8           HE2      TYR   8  -7.100 -13.354  13.504
   63    HH   TYR   8           HH       TYR   8  -9.803 -13.043  14.611
   64    H    GLU   9           H        GLU   9  -7.441 -10.964   7.655
   65    HA   GLU   9           HA       GLU   9  -6.836 -11.711   4.814
   66   1HB   GLU   9          1HB       GLU   9  -8.367  -9.817   5.008
   67   2HB   GLU   9          2HB       GLU   9  -7.293  -9.028   6.163
   68   1HG   GLU   9          1HG       GLU   9  -5.776  -8.406   4.538
   69   2HG   GLU   9          2HG       GLU   9  -6.145  -9.793   3.514
   70    H    CYS  10           H        CYS  10  -4.653 -11.831   4.335
   71    HA   CYS  10           HA       CYS  10  -2.672 -11.574   6.434
   72   1HB   CYS  10          1HB       CYS  10  -2.804 -13.062   4.292
   73   2HB   CYS  10          2HB       CYS  10  -2.130 -11.659   3.484
   74    H    GLU  11           H        GLU  11  -1.993  -9.574   7.132
   75    HA   GLU  11           HA       GLU  11  -2.206  -7.167   5.525
   76   1HB   GLU  11          1HB       GLU  11  -1.562  -8.005   8.198
   77   2HB   GLU  11          2HB       GLU  11  -0.300  -6.911   7.630
   78   1HG   GLU  11          1HG       GLU  11  -2.021  -5.263   6.980
   79   2HG   GLU  11          2HG       GLU  11  -3.284  -6.356   7.549
   80    H    ALA  12           H        ALA  12   0.015  -9.768   5.581
   81    HA   ALA  12           HA       ALA  12   2.377  -8.224   4.792
   82   1HB   ALA  12          1HB       ALA  12   1.620 -10.951   5.568
   83   2HB   ALA  12          2HB       ALA  12   2.864 -10.899   4.320
   84   3HB   ALA  12          3HB       ALA  12   3.124 -10.078   5.859
   85    H    CYS  13           H        CYS  13   0.036 -10.418   3.131
   86    HA   CYS  13           HA       CYS  13   1.260  -9.454   0.570
   87   1HB   CYS  13          2HB       CYS  13   1.681 -11.854   1.343
   88   2HB   CYS  13          1HB       CYS  13   1.066 -11.661  -0.293
   89    H    GLY  14           H        GLY  14  -1.750 -10.327   2.221
   90   1HA   GLY  14          1HA       GLY  14  -3.714  -8.886   1.707
   91   2HA   GLY  14          2HA       GLY  14  -3.203  -8.914   0.021
   92    H    TYR  15           H        TYR  15  -2.956 -11.857   1.823
   93    HA   TYR  15           HA       TYR  15  -4.934 -13.141   0.063
   94   1HB   TYR  15          1HB       TYR  15  -2.830 -14.247   0.555
   95   2HB   TYR  15          2HB       TYR  15  -3.095 -14.077   2.290
   96    HD1  TYR  15           HD1      TYR  15  -4.743 -15.463   3.459
   97    HD2  TYR  15           HD2      TYR  15  -4.046 -15.911  -0.755
   98    HE1  TYR  15           HE1      TYR  15  -5.959 -17.623   3.490
   99    HE2  TYR  15           HE2      TYR  15  -5.263 -18.073  -0.725
  100    HH   TYR  15           HH       TYR  15  -5.892 -19.789   1.983
  101    H    ILE  16           H        ILE  16  -6.593 -14.640   1.154
  102    HA   ILE  16           HA       ILE  16  -7.622 -13.438   3.700
  103    HB   ILE  16           HB       ILE  16  -9.106 -14.171   1.160
  104   1HG1  ILE  16          1HG1      ILE  16  -7.850 -12.031   1.131
  105   2HG1  ILE  16          2HG1      ILE  16  -9.594 -11.773   1.064
  106   1HG2  ILE  16          1HG2      ILE  16 -10.047 -13.443   3.927
  107   2HG2  ILE  16          2HG2      ILE  16 -11.027 -13.042   2.516
  108   3HG2  ILE  16          3HG2      ILE  16 -10.629 -14.725   2.864
  109   1HD1  ILE  16          1HD1      ILE  16  -8.948 -11.868   3.804
  110   2HD1  ILE  16          2HD1      ILE  16  -7.690 -10.885   3.060
  111   3HD1  ILE  16          3HD1      ILE  16  -9.384 -10.437   2.870
  112    H    TYR  17           H        TYR  17  -7.637 -15.038   5.204
  113    HA   TYR  17           HA       TYR  17  -7.697 -17.875   4.431
  114   1HB   TYR  17          1HB       TYR  17  -6.241 -17.203   6.222
  115   2HB   TYR  17          2HB       TYR  17  -7.537 -16.327   7.034
  116    HD1  TYR  17           HD1      TYR  17  -6.427 -19.745   6.015
  117    HD2  TYR  17           HD2      TYR  17  -8.973 -17.418   8.579
  118    HE1  TYR  17           HE1      TYR  17  -7.041 -21.794   7.274
  119    HE2  TYR  17           HE2      TYR  17  -9.586 -19.468   9.830
  120    HH   TYR  17           HH       TYR  17  -9.512 -21.735   9.798
  121    H    GLU  18           H        GLU  18  -9.543 -19.081   4.331
  122    HA   GLU  18           HA       GLU  18 -12.071 -17.910   5.418
  123   1HB   GLU  18          1HB       GLU  18 -11.552 -20.087   3.366
  124   2HB   GLU  18          2HB       GLU  18 -13.127 -19.399   3.759
  125   1HG   GLU  18          1HG       GLU  18 -12.769 -17.635   2.401
  126   2HG   GLU  18          2HG       GLU  18 -11.207 -17.308   3.150
  127    HA   PRO  19           HA       PRO  19 -11.443 -21.208   8.445
  128   1HB   PRO  19          1HB       PRO  19 -13.505 -20.452  10.086
  129   2HB   PRO  19          2HB       PRO  19 -11.904 -19.710  10.119
  130   1HG   PRO  19          1HG       PRO  19 -14.411 -18.720   8.873
  131   2HG   PRO  19          2HG       PRO  19 -13.142 -17.830   9.715
  132   1HD   PRO  19          1HD       PRO  19 -13.376 -17.911   6.994
  133   2HD   PRO  19          2HD       PRO  19 -11.838 -17.658   7.844
  134    H    GLU  20           H        GLU  20 -14.839 -20.281   7.987
  135    HA   GLU  20           HA       GLU  20 -16.100 -22.732   8.251
  136   1HB   GLU  20          1HB       GLU  20 -16.567 -20.164   6.954
  137   2HB   GLU  20          2HB       GLU  20 -17.385 -21.475   6.106
  138   1HG   GLU  20          1HG       GLU  20 -17.590 -21.588   9.053
  139   2HG   GLU  20          2HG       GLU  20 -18.399 -20.210   8.307
  140    H    LYS  21           H        LYS  21 -14.198 -21.620   5.499
  141    HA   LYS  21           HA       LYS  21 -14.963 -23.998   3.895
  142   1HB   LYS  21          1HB       LYS  21 -13.574 -21.378   3.474
  143   2HB   LYS  21          2HB       LYS  21 -13.232 -22.692   2.347
  144   1HG   LYS  21          1HG       LYS  21 -15.643 -22.949   1.905
  145   2HG   LYS  21          2HG       LYS  21 -15.996 -21.649   3.043
  146   1HD   LYS  21          1HD       LYS  21 -14.519 -20.151   1.625
  147   2HD   LYS  21          2HD       LYS  21 -14.480 -21.446   0.429
  148   1HE   LYS  21          1HE       LYS  21 -16.300 -20.146  -0.316
  149   2HE   LYS  21          2HE       LYS  21 -17.115 -21.358   0.692
  150   1HZ   LYS  21          1HZ       LYS  21 -16.148 -18.698   1.619
  151   2HZ   LYS  21          2HZ       LYS  21 -17.770 -19.094   1.309
  152   3HZ   LYS  21          3HZ       LYS  21 -16.942 -19.856   2.577
  153    H    GLY  22           H        GLY  22 -12.138 -22.572   5.504
  154   1HA   GLY  22          1HA       GLY  22 -10.358 -23.850   6.483
  155   2HA   GLY  22          2HA       GLY  22 -10.876 -25.247   5.539
  156    H    ASP  23           H        ASP  23  -8.180 -24.069   5.765
  157    HA   ASP  23           HA       ASP  23  -7.628 -22.802   3.171
  158   1HB   ASP  23          1HB       ASP  23  -6.516 -22.688   5.653
  159   2HB   ASP  23          2HB       ASP  23  -5.454 -23.869   4.890
  160    H    LYS  24           H        LYS  24  -8.727 -24.977   2.310
  161    HA   LYS  24           HA       LYS  24  -7.557 -27.495   2.282
  162   1HB   LYS  24          1HB       LYS  24  -9.433 -26.032   0.809
  163   2HB   LYS  24          2HB       LYS  24  -8.279 -26.602  -0.397
  164   1HG   LYS  24          1HG       LYS  24  -8.739 -28.836   0.021
  165   2HG   LYS  24          2HG       LYS  24  -9.217 -28.532   1.690
  166   1HD   LYS  24          1HD       LYS  24 -11.362 -27.849   1.092
  167   2HD   LYS  24          2HD       LYS  24 -10.865 -27.370  -0.531
  168   1HE   LYS  24          1HE       LYS  24 -10.359 -29.955  -0.812
  169   2HE   LYS  24          2HE       LYS  24 -11.524 -30.108   0.518
  170   1HZ   LYS  24          1HZ       LYS  24 -12.986 -28.567  -0.768
  171   2HZ   LYS  24          2HZ       LYS  24 -11.917 -28.707  -2.077
  172   3HZ   LYS  24          3HZ       LYS  24 -12.753 -30.075  -1.515
  173    H    PHE  25           H        PHE  25  -6.311 -24.569   0.775
  174    HA   PHE  25           HA       PHE  25  -4.365 -25.900  -0.933
  175   1HB   PHE  25          1HB       PHE  25  -5.302 -23.233  -0.257
  176   2HB   PHE  25          2HB       PHE  25  -3.542 -23.271  -0.359
  177    HD1  PHE  25           HD1      PHE  25  -6.324 -25.005  -2.198
  178    HD2  PHE  25           HD2      PHE  25  -2.775 -22.598  -2.449
  179    HE1  PHE  25           HE1      PHE  25  -6.464 -25.056  -4.674
  180    HE2  PHE  25           HE2      PHE  25  -2.916 -22.649  -4.925
  181    HZ   PHE  25           HZ       PHE  25  -4.760 -23.878  -6.037
  182    H    ALA  26           H        ALA  26  -4.482 -24.929   2.415
  183    HA   ALA  26           HA       ALA  26  -1.540 -25.289   2.727
  184   1HB   ALA  26          3HB       ALA  26  -1.912 -23.531   4.099
  185   2HB   ALA  26          1HB       ALA  26  -3.657 -23.715   3.926
  186   3HB   ALA  26          2HB       ALA  26  -2.793 -24.623   5.167
  187    H    GLY  27           H        GLY  27  -4.650 -26.677   3.636
  188   1HA   GLY  27          1HA       GLY  27  -4.539 -29.197   3.933
  189   2HA   GLY  27          2HA       GLY  27  -3.179 -28.891   5.012
  190    H    ILE  28           H        ILE  28  -6.003 -26.780   4.995
  191    HA   ILE  28           HA       ILE  28  -6.727 -27.894   7.684
  192    HB   ILE  28           HB       ILE  28  -6.759 -25.082   6.549
  193   1HG1  ILE  28          1HG1      ILE  28  -5.399 -25.782   9.092
  194   2HG1  ILE  28          2HG1      ILE  28  -4.676 -26.439   7.623
  195   1HG2  ILE  28          1HG2      ILE  28  -7.729 -26.095   9.240
  196   2HG2  ILE  28          2HG2      ILE  28  -7.569 -24.396   8.795
  197   3HG2  ILE  28          3HG2      ILE  28  -8.740 -25.418   7.963
  198   1HD1  ILE  28          1HD1      ILE  28  -5.478 -23.540   7.748
  199   2HD1  ILE  28          2HD1      ILE  28  -3.941 -24.064   8.438
  200   3HD1  ILE  28          3HD1      ILE  28  -4.268 -24.310   6.722
  201    HA   PRO  29           HA       PRO  29 -10.555 -28.711   5.489
  202   1HB   PRO  29          1HB       PRO  29 -11.936 -29.720   7.633
  203   2HB   PRO  29          2HB       PRO  29 -10.741 -30.660   6.718
  204   1HG   PRO  29          2HG       PRO  29  -9.823 -30.814   8.827
  205   2HG   PRO  29          1HG       PRO  29 -10.451 -29.236   9.323
  206   1HD   PRO  29          1HD       PRO  29  -8.296 -28.566   8.902
  207   2HD   PRO  29          2HD       PRO  29  -8.005 -29.896   7.759
  208    HA   PRO  30           HA       PRO  30 -13.153 -25.323   6.556
  209   1HB   PRO  30          1HB       PRO  30 -15.696 -26.311   6.391
  210   2HB   PRO  30          2HB       PRO  30 -14.681 -26.019   4.964
  211   1HG   PRO  30          2HG       PRO  30 -15.128 -28.259   4.663
  212   2HG   PRO  30          1HG       PRO  30 -15.264 -28.562   6.400
  213   1HD   PRO  30          1HD       PRO  30 -13.145 -29.397   6.153
  214   2HD   PRO  30          2HD       PRO  30 -12.839 -28.447   4.684
  215    H    GLY  31           H        GLY  31 -15.530 -25.138   7.934
  216   1HA   GLY  31          1HA       GLY  31 -16.270 -24.887  10.156
  217   2HA   GLY  31          2HA       GLY  31 -15.950 -26.617  10.262
  218    H    THR  32           H        THR  32 -13.414 -24.250   9.635
  219    HA   THR  32           HA       THR  32 -12.392 -24.690  12.421
  220    HB   THR  32           HB       THR  32 -10.686 -24.552   9.929
  221    HG1  THR  32           HG1      THR  32 -12.002 -26.738  11.134
  222   1HG2  THR  32          1HG2      THR  32  -9.939 -24.343  12.490
  223   2HG2  THR  32          2HG2      THR  32 -10.006 -26.102  12.383
  224   3HG2  THR  32          3HG2      THR  32  -8.953 -25.193  11.300
  225    HA   PRO  33           HA       PRO  33 -12.309 -20.205  11.943
  226   1HB   PRO  33          1HB       PRO  33 -11.766 -19.644  14.563
  227   2HB   PRO  33          2HB       PRO  33 -13.389 -20.050  13.980
  228   1HG   PRO  33          1HG       PRO  33 -11.401 -21.748  15.400
  229   2HG   PRO  33          2HG       PRO  33 -13.161 -21.700  15.559
  230   1HD   PRO  33          1HD       PRO  33 -11.787 -23.610  14.144
  231   2HD   PRO  33          2HD       PRO  33 -13.473 -23.158  13.828
  232    H    PHE  34           H        PHE  34 -10.573 -18.679  11.861
  233    HA   PHE  34           HA       PHE  34  -7.943 -19.643  11.439
  234   1HB   PHE  34          1HB       PHE  34  -8.666 -17.543  10.537
  235   2HB   PHE  34          2HB       PHE  34  -9.129 -16.939  12.118
  236    HD1  PHE  34           HD1      PHE  34  -7.356 -16.401  13.815
  237    HD2  PHE  34           HD2      PHE  34  -6.409 -17.384   9.743
  238    HE1  PHE  34           HE1      PHE  34  -5.091 -15.438  14.111
  239    HE2  PHE  34           HE2      PHE  34  -4.142 -16.421  10.039
  240    HZ   PHE  34           HZ       PHE  34  -3.483 -15.448  12.223
  241    H    VAL  35           H        VAL  35  -9.588 -18.789  14.400
  242    HA   VAL  35           HA       VAL  35  -7.263 -18.318  16.042
  243    HB   VAL  35           HB       VAL  35  -8.931 -18.584  17.854
  244   1HG1  VAL  35          1HG1      VAL  35  -9.060 -16.790  15.641
  245   2HG1  VAL  35          2HG1      VAL  35 -10.717 -17.183  16.103
  246   3HG1  VAL  35          3HG1      VAL  35  -9.604 -16.509  17.295
  247   1HG2  VAL  35          1HG2      VAL  35 -10.251 -20.144  15.758
  248   2HG2  VAL  35          2HG2      VAL  35 -10.494 -20.183  17.504
  249   3HG2  VAL  35          3HG2      VAL  35 -11.333 -18.981  16.524
  250    H    ASP  36           H        ASP  36  -8.646 -21.207  14.734
  251    HA   ASP  36           HA       ASP  36  -7.366 -22.909  16.823
  252   1HB   ASP  36          1HB       ASP  36  -9.743 -22.988  15.289
  253   2HB   ASP  36          2HB       ASP  36  -8.742 -24.319  14.711
  254    H    LEU  37           H        LEU  37  -6.480 -21.517  13.902
  255    HA   LEU  37           HA       LEU  37  -5.318 -23.576  12.366
  256   1HB   LEU  37          1HB       LEU  37  -4.595 -20.703  12.959
  257   2HB   LEU  37          2HB       LEU  37  -3.657 -21.660  11.809
  258    HG   LEU  37           HG       LEU  37  -6.658 -21.221  11.667
  259   1HD1  LEU  37          1HD1      LEU  37  -5.066 -19.231  11.206
  260   2HD1  LEU  37          2HD1      LEU  37  -4.580 -20.132   9.770
  261   3HD1  LEU  37          3HD1      LEU  37  -6.258 -19.627   9.968
  262   1HD2  LEU  37          1HD2      LEU  37  -4.907 -23.147  10.466
  263   2HD2  LEU  37          2HD2      LEU  37  -6.637 -22.929  10.200
  264   3HD2  LEU  37          3HD2      LEU  37  -5.475 -22.048   9.208
  265    H    SER  38           H        SER  38  -3.009 -24.238  12.278
  266    HA   SER  38           HA       SER  38  -1.978 -25.299  14.669
  267   1HB   SER  38          1HB       SER  38  -0.919 -24.592  11.957
  268   2HB   SER  38          2HB       SER  38   0.234 -25.096  13.193
  269    HG   SER  38           HG       SER  38  -0.998 -26.711  11.744
  270    H    ASP  39           H        ASP  39   0.371 -24.607  15.466
  271    HA   ASP  39           HA       ASP  39   0.115 -21.897  16.546
  272   1HB   ASP  39          1HB       ASP  39   1.468 -24.375  17.103
  273   2HB   ASP  39          2HB       ASP  39   2.648 -23.064  17.102
  274    H    SER  40           H        SER  40   1.700 -23.358  13.826
  275    HA   SER  40           HA       SER  40   3.155 -20.784  13.340
  276   1HB   SER  40          1HB       SER  40   4.879 -22.452  12.265
  277   2HB   SER  40          2HB       SER  40   4.864 -22.237  14.015
  278    HG   SER  40           HG       SER  40   3.587 -24.288  12.535
  279    H    PHE  41           H        PHE  41   0.564 -21.630  12.271
  280    HA   PHE  41           HA       PHE  41   0.677 -22.820   9.702
  281   1HB   PHE  41          1HB       PHE  41  -1.438 -22.470  10.693
  282   2HB   PHE  41          2HB       PHE  41  -1.090 -20.798  11.084
  283    HD1  PHE  41           HD1      PHE  41  -2.036 -23.140   8.384
  284    HD2  PHE  41           HD2      PHE  41  -1.350 -19.033   9.439
  285    HE1  PHE  41           HE1      PHE  41  -3.114 -22.416   6.272
  286    HE2  PHE  41           HE2      PHE  41  -2.426 -18.310   7.326
  287    HZ   PHE  41           HZ       PHE  41  -3.309 -20.002   5.743
  288    H    MET  42           H        MET  42   1.418 -22.066   7.734
  289    HA   MET  42           HA       MET  42   2.472 -19.268   7.650
  290   1HB   MET  42          2HB       MET  42   3.965 -20.129   5.927
  291   2HB   MET  42          1HB       MET  42   3.083 -21.653   5.875
  292   1HG   MET  42          1HG       MET  42   4.320 -20.662   8.442
  293   2HG   MET  42          2HG       MET  42   3.866 -22.310   8.006
  294   1HE   MET  42          1HE       MET  42   6.203 -19.795   8.477
  295   2HE   MET  42          2HE       MET  42   7.074 -21.203   9.076
  296   3HE   MET  42          3HE       MET  42   7.737 -20.252   7.740
  297    H    CYS  43           H        CYS  43   1.803 -17.893   5.974
  298    HA   CYS  43           HA       CYS  43  -0.779 -18.164   4.861
  299   1HB   CYS  43          1HB       CYS  43   0.653 -16.110   5.144
  300   2HB   CYS  43          2HB       CYS  43   1.591 -16.643   3.749
  301    HA   PRO  44           HA       PRO  44   0.083 -20.992   1.537
  302   1HB   PRO  44          1HB       PRO  44  -2.297 -20.768   0.217
  303   2HB   PRO  44          2HB       PRO  44  -2.115 -21.677   1.728
  304   1HG   PRO  44          1HG       PRO  44  -3.262 -18.981   1.259
  305   2HG   PRO  44          2HG       PRO  44  -3.731 -20.218   2.431
  306   1HD   PRO  44          1HD       PRO  44  -2.223 -17.966   3.003
  307   2HD   PRO  44          2HD       PRO  44  -2.280 -19.436   3.996
  308    H    ALA  45           H        ALA  45  -0.011 -17.670   1.277
  309    HA   ALA  45           HA       ALA  45   0.433 -17.775  -1.680
  310   1HB   ALA  45          2HB       ALA  45  -0.655 -15.473  -0.042
  311   2HB   ALA  45          3HB       ALA  45  -0.642 -15.616  -1.799
  312   3HB   ALA  45          1HB       ALA  45  -1.682 -16.666  -0.836
  313    H    CYS  46           H        CYS  46   1.364 -16.204   1.383
  314    HA   CYS  46           HA       CYS  46   3.883 -15.361   0.007
  315   1HB   CYS  46          2HB       CYS  46   2.046 -13.654   0.747
  316   2HB   CYS  46          1HB       CYS  46   3.737 -13.281   1.050
  317    H    ARG  47           H        ARG  47   2.829 -17.624   2.088
  318    HA   ARG  47           HA       ARG  47   3.909 -18.978   3.693
  319   1HB   ARG  47          1HB       ARG  47   5.583 -18.720   1.786
  320   2HB   ARG  47          2HB       ARG  47   6.378 -17.493   2.772
  321   1HG   ARG  47          1HG       ARG  47   7.099 -19.030   4.346
  322   2HG   ARG  47          2HG       ARG  47   5.756 -20.131   4.037
  323   1HD   ARG  47          1HD       ARG  47   7.347 -19.850   1.637
  324   2HD   ARG  47          2HD       ARG  47   8.379 -20.331   2.997
  325    HE   ARG  47           HE       ARG  47   7.251 -22.408   2.971
  326   1HH1  ARG  47          1HH1      ARG  47   5.906 -20.627   0.518
  327   2HH1  ARG  47          2HH1      ARG  47   4.335 -21.352   0.588
  328   1HH2  ARG  47          1HH2      ARG  47   4.960 -23.052   3.544
  329   2HH2  ARG  47          2HH2      ARG  47   3.801 -22.729   2.298
  330    H    SER  48           H        SER  48   3.261 -15.928   4.371
  331    HA   SER  48           HA       SER  48   5.216 -15.243   6.414
  332   1HB   SER  48          1HB       SER  48   2.462 -14.335   5.601
  333   2HB   SER  48          2HB       SER  48   3.188 -13.723   7.084
  334    HG   SER  48           HG       SER  48   3.665 -12.411   5.267
  335    HA   PRO  49           HA       PRO  49   3.707 -17.649   9.769
  336   1HB   PRO  49          1HB       PRO  49   3.870 -15.913  11.883
  337   2HB   PRO  49          2HB       PRO  49   5.293 -16.661  11.131
  338   1HG   PRO  49          2HG       PRO  49   5.843 -14.433  10.876
  339   2HG   PRO  49          1HG       PRO  49   4.150 -13.930  10.740
  340   1HD   PRO  49          1HD       PRO  49   4.648 -13.871   8.500
  341   2HD   PRO  49          2HD       PRO  49   5.966 -15.051   8.664
  342    H    LYS  50           H        LYS  50   1.735 -18.088  10.839
  343    HA   LYS  50           HA       LYS  50  -0.660 -16.889   9.990
  344   1HB   LYS  50          1HB       LYS  50  -0.307 -19.090  11.165
  345   2HB   LYS  50          2HB       LYS  50  -0.085 -18.198  12.669
  346   1HG   LYS  50          1HG       LYS  50  -2.382 -17.120  12.120
  347   2HG   LYS  50          2HG       LYS  50  -2.575 -18.461  10.990
  348   1HD   LYS  50          1HD       LYS  50  -2.706 -20.038  12.670
  349   2HD   LYS  50          2HD       LYS  50  -1.674 -19.113  13.761
  350   1HE   LYS  50          1HE       LYS  50  -3.594 -17.436  13.958
  351   2HE   LYS  50          2HE       LYS  50  -4.604 -18.639  13.133
  352   1HZ   LYS  50          1HZ       LYS  50  -2.902 -19.357  15.449
  353   2HZ   LYS  50          2HZ       LYS  50  -4.473 -18.758  15.672
  354   3HZ   LYS  50          3HZ       LYS  50  -4.230 -20.204  14.812
  355    H    ASN  51           H        ASN  51   1.563 -15.831  12.476
  356    HA   ASN  51           HA       ASN  51  -0.230 -14.108  13.920
  357   1HB   ASN  51          1HB       ASN  51   2.045 -14.935  14.619
  358   2HB   ASN  51          2HB       ASN  51   2.755 -13.841  13.432
  359   2HD2  ASN  51          2HD2      ASN  51   1.480 -14.051  16.646
  360   1HD2  ASN  51          1HD2      ASN  51   1.538 -12.394  17.008
  361    H    GLN  52           H        GLN  52   1.090 -13.912  10.754
  362    HA   GLN  52           HA       GLN  52   1.010 -10.973  10.595
  363   1HB   GLN  52          1HB       GLN  52   2.172 -13.166   9.207
  364   2HB   GLN  52          2HB       GLN  52   1.112 -12.344   8.063
  365   1HG   GLN  52          2HG       GLN  52   3.370 -11.360   8.014
  366   2HG   GLN  52          1HG       GLN  52   3.268 -11.025   9.744
  367   2HE2  GLN  52          2HE2      GLN  52   0.690 -10.626   7.272
  368   1HE2  GLN  52          1HE2      GLN  52   0.515  -8.954   7.503
  369    H    PHE  53           H        PHE  53  -1.325 -13.419  10.574
  370    HA   PHE  53           HA       PHE  53  -3.028 -12.281   8.456
  371   1HB   PHE  53          1HB       PHE  53  -3.112 -14.533  10.439
  372   2HB   PHE  53          2HB       PHE  53  -4.614 -14.020   9.672
  373    HD1  PHE  53           HD1      PHE  53  -1.077 -14.944   8.840
  374    HD2  PHE  53           HD2      PHE  53  -5.171 -14.823   7.545
  375    HE1  PHE  53           HE1      PHE  53  -0.464 -16.188   6.784
  376    HE2  PHE  53           HE2      PHE  53  -4.557 -16.067   5.490
  377    HZ   PHE  53           HZ       PHE  53  -2.204 -16.749   5.109
  378    H    LYS  54           H        LYS  54  -4.649 -10.794   8.790
  379    HA   LYS  54           HA       LYS  54  -5.256 -10.019  11.625
  380   1HB   LYS  54          1HB       LYS  54  -4.014  -8.527   9.735
  381   2HB   LYS  54          2HB       LYS  54  -5.692  -8.128   9.366
  382   1HG   LYS  54          1HG       LYS  54  -5.192  -8.107  12.236
  383   2HG   LYS  54          2HG       LYS  54  -4.128  -6.988  11.384
  384   1HD   LYS  54          1HD       LYS  54  -6.458  -6.451  10.117
  385   2HD   LYS  54          2HD       LYS  54  -7.083  -6.928  11.696
  386   1HE   LYS  54          1HE       LYS  54  -6.490  -4.908  12.534
  387   2HE   LYS  54          2HE       LYS  54  -4.800  -5.218  12.090
  388   1HZ   LYS  54          1HZ       LYS  54  -5.471  -4.646   9.757
  389   2HZ   LYS  54          2HZ       LYS  54  -6.956  -4.099  10.376
  390   3HZ   LYS  54          3HZ       LYS  54  -5.509  -3.340  10.839
  391    H    SER  55           H        SER  55  -7.399 -10.228  12.186
  392    HA   SER  55           HA       SER  55  -9.320 -11.410  10.435
  393   1HB   SER  55          1HB       SER  55 -10.877 -10.857  12.293
  394   2HB   SER  55          2HB       SER  55  -9.375 -11.557  12.872
  395    HG   SER  55           HG       SER  55 -10.421  -9.246  13.534
  396    H    ILE  56           H        ILE  56 -11.572 -10.264  10.292
  397    HA   ILE  56           HA       ILE  56 -11.502  -7.377   9.734
  398    HB   ILE  56           HB       ILE  56 -10.448  -8.313   7.730
  399   1HG1  ILE  56          2HG1      ILE  56 -13.320  -7.416   7.410
  400   2HG1  ILE  56          1HG1      ILE  56 -12.251  -7.666   6.029
  401   1HG2  ILE  56          1HG2      ILE  56 -12.380 -10.404   8.189
  402   2HG2  ILE  56          2HG2      ILE  56 -12.556  -9.787   6.547
  403   3HG2  ILE  56          3HG2      ILE  56 -10.997 -10.403   7.096
  404   1HD1  ILE  56          1HD1      ILE  56 -10.653  -6.147   7.633
  405   2HD1  ILE  56          2HD1      ILE  56 -11.702  -5.478   6.383
  406   3HD1  ILE  56          3HD1      ILE  56 -12.241  -5.512   8.062
  407    H    LYS  57           H        LYS  57 -13.289  -7.356  11.227
  408    HA   LYS  57           HA       LYS  57 -15.761  -8.746  10.273
  409   1HB   LYS  57          1HB       LYS  57 -16.415  -8.561  12.698
  410   2HB   LYS  57          2HB       LYS  57 -14.964  -9.527  12.430
  411   1HG   LYS  57          1HG       LYS  57 -13.576  -7.955  13.379
  412   2HG   LYS  57          2HG       LYS  57 -14.586  -6.602  12.868
  413   1HD   LYS  57          1HD       LYS  57 -16.268  -7.237  14.578
  414   2HD   LYS  57          2HD       LYS  57 -15.214  -8.547  15.109
  415   1HE   LYS  57          1HE       LYS  57 -13.992  -7.114  16.373
  416   2HE   LYS  57          2HE       LYS  57 -13.757  -6.029  14.989
  417   1HZ   LYS  57          1HZ       LYS  57 -16.132  -5.340  15.330
  418   2HZ   LYS  57          2HZ       LYS  57 -16.103  -6.178  16.807
  419   3HZ   LYS  57          3HZ       LYS  57 -15.071  -4.851  16.560
  420    H    LYS  58           H        LYS  58 -15.832  -6.721   8.827
  421    HA   LYS  58           HA       LYS  58 -17.124  -4.461  10.323
  422   1HB   LYS  58          1HB       LYS  58 -14.921  -4.606   8.469
  423   2HB   LYS  58          2HB       LYS  58 -16.215  -3.641   7.756
  424   1HG   LYS  58          1HG       LYS  58 -16.093  -2.018   9.394
  425   2HG   LYS  58          2HG       LYS  58 -15.538  -3.152  10.624
  426   1HD   LYS  58          2HD       LYS  58 -13.451  -3.252   8.877
  427   2HD   LYS  58          1HD       LYS  58 -13.514  -2.160  10.260
  428   1HE   LYS  58          1HE       LYS  58 -13.881  -1.559   7.356
  429   2HE   LYS  58          2HE       LYS  58 -14.863  -0.636   8.510
  430   1HZ   LYS  58          1HZ       LYS  58 -11.926  -1.058   8.739
  431   2HZ   LYS  58          2HZ       LYS  58 -12.644   0.357   8.131
  432   3HZ   LYS  58          3HZ       LYS  58 -12.888  -0.096   9.751
  433    H    VAL  59           H        VAL  59 -18.977  -6.215   9.859
  434    HA   VAL  59           HA       VAL  59 -20.025  -6.493   7.201
  435    HB   VAL  59           HB       VAL  59 -21.404  -6.562   9.907
  436   1HG1  VAL  59          1HG1      VAL  59 -22.676  -6.588   7.560
  437   2HG1  VAL  59          2HG1      VAL  59 -22.175  -8.279   7.584
  438   3HG1  VAL  59          3HG1      VAL  59 -23.178  -7.638   8.885
  439   1HG2  VAL  59          1HG2      VAL  59 -19.277  -8.126   8.955
  440   2HG2  VAL  59          2HG2      VAL  59 -20.327  -8.499  10.322
  441   3HG2  VAL  59          3HG2      VAL  59 -20.714  -9.120   8.717
  442    H    ILE  60           H        ILE  60 -21.797  -5.361   6.221
  443    HA   ILE  60           HA       ILE  60 -22.455  -2.703   7.450
  444    HB   ILE  60           HB       ILE  60 -20.804  -2.507   5.635
  445   1HG1  ILE  60          1HG1      ILE  60 -23.547  -1.681   4.639
  446   2HG1  ILE  60          2HG1      ILE  60 -22.650  -0.809   5.881
  447   1HG2  ILE  60          1HG2      ILE  60 -22.381  -4.614   4.513
  448   2HG2  ILE  60          2HG2      ILE  60 -22.409  -3.255   3.389
  449   3HG2  ILE  60          3HG2      ILE  60 -20.868  -3.942   3.902
  450   1HD1  ILE  60          1HD1      ILE  60 -20.715  -0.874   4.073
  451   2HD1  ILE  60          2HD1      ILE  60 -22.062  -1.083   2.953
  452   3HD1  ILE  60          3HD1      ILE  60 -21.981   0.350   3.979
  453    H    ALA  61           H        ALA  61 -24.631  -2.093   7.255
  454    HA   ALA  61           HA       ALA  61 -26.954  -2.424   6.959
  455   1HB   ALA  61          2HB       ALA  61 -25.916  -3.778   4.446
  456   2HB   ALA  61          1HB       ALA  61 -26.102  -2.034   4.636
  457   3HB   ALA  61          3HB       ALA  61 -27.521  -3.081   4.669
  458    H    GLY  62           H        GLY  62 -28.290  -4.604   5.705
  459   1HA   GLY  62          1HA       GLY  62 -29.058  -6.767   6.194
  460   2HA   GLY  62          2HA       GLY  62 -27.375  -7.176   6.530
  461    H    PHE  63           H        PHE  63 -29.102  -4.633   8.243
  462    HA   PHE  63           HA       PHE  63 -28.851  -6.264  10.743
  463   1HB   PHE  63          1HB       PHE  63 -27.944  -3.736  10.019
  464   2HB   PHE  63          2HB       PHE  63 -29.375  -3.394  10.992
  465    HD1  PHE  63           HD1      PHE  63 -29.584  -4.508  13.282
  466    HD2  PHE  63           HD2      PHE  63 -25.925  -4.440  11.033
  467    HE1  PHE  63           HE1      PHE  63 -28.308  -5.022  15.344
  468    HE2  PHE  63           HE2      PHE  63 -24.648  -4.955  13.097
  469    HZ   PHE  63           HZ       PHE  63 -25.840  -5.245  15.252
  470    H    ALA  64           H        ALA  64 -30.908  -3.509   9.737
  471    HA   ALA  64           HA       ALA  64 -33.305  -5.112  10.562
  472   1HB   ALA  64          3HB       ALA  64 -33.103  -3.727  12.398
  473   2HB   ALA  64          1HB       ALA  64 -32.236  -2.486  11.492
  474   3HB   ALA  64          2HB       ALA  64 -33.987  -2.627  11.341
  475    H    GLU  65           H        GLU  65 -35.367  -3.820   9.789
  476    HA   GLU  65           HA       GLU  65 -34.824  -2.642   7.082
  477   1HB   GLU  65          1HB       GLU  65 -36.614  -4.849   8.033
  478   2HB   GLU  65          2HB       GLU  65 -37.156  -3.862   6.676
  479   1HG   GLU  65          1HG       GLU  65 -35.403  -4.547   5.301
  480   2HG   GLU  65          2HG       GLU  65 -34.360  -4.954   6.665
  481    H    ASN  66           H        ASN  66 -35.336  -0.481   7.459
  482    HA   ASN  66           HA       ASN  66 -37.509   0.325   9.243
  483   1HB   ASN  66          1HB       ASN  66 -35.471   1.583   7.449
  484   2HB   ASN  66          2HB       ASN  66 -36.857   2.561   7.929
  485   2HD2  ASN  66          2HD2      ASN  66 -34.769   3.675   9.020
  486   1HD2  ASN  66          1HD2      ASN  66 -34.469   3.195  10.620
  487    H    GLN  67           H        GLN  67 -37.022   1.272   5.835
  488    HA   GLN  67           HA       GLN  67 -39.949   0.783   5.370
  489   1HB   GLN  67          1HB       GLN  67 -38.040   2.988   4.624
  490   2HB   GLN  67          2HB       GLN  67 -39.456   2.687   3.616
  491   1HG   GLN  67          1HG       GLN  67 -39.659   3.028   6.613
  492   2HG   GLN  67          2HG       GLN  67 -39.751   4.396   5.504
  493   2HE2  GLN  67          2HE2      GLN  67 -41.626   4.527   4.072
  494   1HE2  GLN  67          1HE2      GLN  67 -43.007   3.575   4.335
  495    H    LYS  68           H        LYS  68 -37.358   1.649   3.106
  496    HA   LYS  68           HA       LYS  68 -37.798  -0.974   1.712
  497   1HB   LYS  68          1HB       LYS  68 -38.753   1.025   0.579
  498   2HB   LYS  68          2HB       LYS  68 -37.155   1.768   0.574
  499   1HG   LYS  68          1HG       LYS  68 -36.679  -0.730  -0.524
  500   2HG   LYS  68          2HG       LYS  68 -38.256  -0.302  -1.189
  501   1HD   LYS  68          1HD       LYS  68 -36.037   1.728  -1.184
  502   2HD   LYS  68          2HD       LYS  68 -36.082   0.484  -2.433
  503   1HE   LYS  68          1HE       LYS  68 -38.410   1.175  -3.007
  504   2HE   LYS  68          2HE       LYS  68 -38.298   2.469  -1.799
  505   1HZ   LYS  68          1HZ       LYS  68 -36.304   2.087  -3.968
  506   2HZ   LYS  68          2HZ       LYS  68 -37.640   3.119  -4.125
  507   3HZ   LYS  68          3HZ       LYS  68 -36.467   3.426  -2.935
  508    H    TYR  69           H        TYR  69 -35.928  -1.658   3.149
  509    HA   TYR  69           HA       TYR  69 -33.385  -1.317   1.713
  510   1HB   TYR  69          1HB       TYR  69 -34.023   0.552   3.604
  511   2HB   TYR  69          2HB       TYR  69 -33.180  -0.642   4.591
  512    HD1  TYR  69           HD1      TYR  69 -31.091  -1.721   3.001
  513    HD2  TYR  69           HD2      TYR  69 -32.607   2.297   3.007
  514    HE1  TYR  69           HE1      TYR  69 -28.914  -0.897   2.140
  515    HE2  TYR  69           HE2      TYR  69 -30.432   3.121   2.147
  516    HH   TYR  69           HH       TYR  69 -27.784   1.876   2.366
  517    H    GLY  70           H        GLY  70 -32.449  -3.327   1.792
  518   1HA   GLY  70          1HA       GLY  70 -31.489  -5.171   3.067
  519   2HA   GLY  70          2HA       GLY  70 -32.736  -4.926   4.289

  No H/Q in entry =         519
  Start of MODEL   20
    1    H1   MET   1          1H        MET   1 -14.519  -3.552   2.600
    2    H2   MET   1          2H        MET   1 -12.834  -3.734   2.482
    3    H3   MET   1          3H        MET   1 -13.863  -5.004   2.020
    4    HA   MET   1           HA       MET   1 -13.083  -5.651   4.124
    5   1HB   MET   1          1HB       MET   1 -12.968  -3.976   5.944
    6   2HB   MET   1          2HB       MET   1 -12.063  -3.435   4.531
    7   1HG   MET   1          1HG       MET   1 -14.873  -2.638   4.413
    8   2HG   MET   1          2HG       MET   1 -14.061  -1.999   5.842
    9   1HE   MET   1          1HE       MET   1 -13.391   0.254   5.743
   10   2HE   MET   1          2HE       MET   1 -11.856  -0.623   5.804
   11   3HE   MET   1          3HE       MET   1 -12.028   0.784   4.759
   12    H    GLU   2           H        GLU   2 -15.534  -6.115   2.953
   13    HA   GLU   2           HA       GLU   2 -17.526  -5.543   5.122
   14   1HB   GLU   2          1HB       GLU   2 -17.557  -5.612   2.166
   15   2HB   GLU   2          2HB       GLU   2 -18.950  -6.375   2.934
   16   1HG   GLU   2          1HG       GLU   2 -18.983  -4.211   4.414
   17   2HG   GLU   2          2HG       GLU   2 -18.023  -3.519   3.105
   18    H    ILE   3           H        ILE   3 -15.985  -7.593   5.867
   19    HA   ILE   3           HA       ILE   3 -17.622 -10.016   5.209
   20    HB   ILE   3           HB       ILE   3 -14.620  -9.956   5.622
   21   1HG1  ILE   3          1HG1      ILE   3 -16.074 -10.243   2.980
   22   2HG1  ILE   3          2HG1      ILE   3 -15.424  -8.705   3.545
   23   1HG2  ILE   3          1HG2      ILE   3 -16.661 -12.033   4.910
   24   2HG2  ILE   3          2HG2      ILE   3 -15.014 -12.199   4.303
   25   3HG2  ILE   3          3HG2      ILE   3 -15.311 -12.138   6.040
   26   1HD1  ILE   3          1HD1      ILE   3 -13.238 -10.196   3.920
   27   2HD1  ILE   3          2HD1      ILE   3 -13.979 -11.156   2.639
   28   3HD1  ILE   3          3HD1      ILE   3 -13.595  -9.458   2.358
   29    H    ASP   4           H        ASP   4 -17.472 -11.665   6.944
   30    HA   ASP   4           HA       ASP   4 -16.409 -10.805   9.564
   31   1HB   ASP   4          1HB       ASP   4 -18.544  -9.623   9.326
   32   2HB   ASP   4          2HB       ASP   4 -19.347 -11.151   8.961
   33    H    GLU   5           H        GLU   5 -16.771 -13.240   7.463
   34    HA   GLU   5           HA       GLU   5 -17.750 -15.376   9.207
   35   1HB   GLU   5          1HB       GLU   5 -17.725 -15.023   6.572
   36   2HB   GLU   5          2HB       GLU   5 -16.153 -15.810   6.707
   37   1HG   GLU   5          1HG       GLU   5 -17.118 -17.823   7.001
   38   2HG   GLU   5          2HG       GLU   5 -18.121 -17.202   8.313
   39    H    GLY   6           H        GLY   6 -15.738 -14.209  10.655
   40   1HA   GLY   6          1HA       GLY   6 -13.651 -14.593  11.665
   41   2HA   GLY   6          2HA       GLY   6 -13.956 -16.286  11.286
   42    H    LYS   7           H        LYS   7 -13.791 -13.942   8.714
   43    HA   LYS   7           HA       LYS   7 -11.566 -15.374   7.478
   44   1HB   LYS   7          1HB       LYS   7 -13.114 -12.856   6.792
   45   2HB   LYS   7          2HB       LYS   7 -11.944 -13.620   5.716
   46   1HG   LYS   7          1HG       LYS   7 -13.564 -15.737   6.453
   47   2HG   LYS   7          2HG       LYS   7 -14.707 -14.401   6.328
   48   1HD   LYS   7          1HD       LYS   7 -13.101 -14.038   4.106
   49   2HD   LYS   7          2HD       LYS   7 -13.223 -15.794   4.213
   50   1HE   LYS   7          1HE       LYS   7 -15.826 -14.783   4.733
   51   2HE   LYS   7          2HE       LYS   7 -15.218 -13.920   3.307
   52   1HZ   LYS   7          1HZ       LYS   7 -14.444 -16.116   2.464
   53   2HZ   LYS   7          2HZ       LYS   7 -15.264 -16.862   3.751
   54   3HZ   LYS   7          3HZ       LYS   7 -16.133 -15.994   2.577
   55    H    TYR   8           H        TYR   8  -9.414 -14.748   7.499
   56    HA   TYR   8           HA       TYR   8  -8.769 -12.199   8.956
   57   1HB   TYR   8          1HB       TYR   8  -7.519 -14.938   8.779
   58   2HB   TYR   8          2HB       TYR   8  -6.521 -13.553   9.219
   59    HD1  TYR   8           HD1      TYR   8  -9.982 -14.752  10.030
   60    HD2  TYR   8           HD2      TYR   8  -6.230 -13.294  11.516
   61    HE1  TYR   8           HE1      TYR   8 -10.867 -14.866  12.340
   62    HE2  TYR   8           HE2      TYR   8  -7.111 -13.409  13.835
   63    HH   TYR   8           HH       TYR   8  -9.034 -13.595  15.066
   64    H    GLU   9           H        GLU   9  -7.827 -10.637   7.685
   65    HA   GLU   9           HA       GLU   9  -6.942 -11.328   4.954
   66   1HB   GLU   9          1HB       GLU   9  -8.391  -9.366   5.529
   67   2HB   GLU   9          2HB       GLU   9  -7.043  -8.684   6.435
   68   1HG   GLU   9          1HG       GLU   9  -6.105  -9.460   3.833
   69   2HG   GLU   9          2HG       GLU   9  -7.561  -8.489   3.632
   70    H    CYS  10           H        CYS  10  -4.808 -11.637   4.437
   71    HA   CYS  10           HA       CYS  10  -2.732 -11.533   6.459
   72   1HB   CYS  10          1HB       CYS  10  -3.050 -12.953   4.267
   73   2HB   CYS  10          2HB       CYS  10  -2.265 -11.585   3.497
   74    H    GLU  11           H        GLU  11  -1.894  -9.590   7.154
   75    HA   GLU  11           HA       GLU  11  -2.069  -7.145   5.606
   76   1HB   GLU  11          1HB       GLU  11  -1.252  -8.088   8.216
   77   2HB   GLU  11          2HB       GLU  11  -0.050  -6.968   7.580
   78   1HG   GLU  11          1HG       GLU  11  -1.734  -5.265   7.225
   79   2HG   GLU  11          2HG       GLU  11  -3.027  -6.397   7.621
   80    H    ALA  12           H        ALA  12   0.038  -9.851   5.506
   81    HA   ALA  12           HA       ALA  12   2.407  -8.399   4.570
   82   1HB   ALA  12          1HB       ALA  12   1.563 -11.215   5.129
   83   2HB   ALA  12          2HB       ALA  12   2.990 -10.951   4.127
   84   3HB   ALA  12          3HB       ALA  12   2.935 -10.311   5.769
   85    H    CYS  13           H        CYS  13  -0.079 -10.547   3.060
   86    HA   CYS  13           HA       CYS  13   0.994  -9.601   0.424
   87   1HB   CYS  13          2HB       CYS  13   1.348 -12.029   1.152
   88   2HB   CYS  13          1HB       CYS  13   0.626 -11.791  -0.434
   89    H    GLY  14           H        GLY  14  -1.901 -10.133   2.355
   90   1HA   GLY  14          1HA       GLY  14  -3.859  -8.718   1.957
   91   2HA   GLY  14          2HA       GLY  14  -3.429  -8.673   0.247
   92    H    TYR  15           H        TYR  15  -3.221 -11.707   1.897
   93    HA   TYR  15           HA       TYR  15  -5.278 -12.863   0.159
   94   1HB   TYR  15          1HB       TYR  15  -3.257 -14.099   0.572
   95   2HB   TYR  15          2HB       TYR  15  -3.398 -13.870   2.312
   96    HD1  TYR  15           HD1      TYR  15  -5.045 -15.499  -0.618
   97    HD2  TYR  15           HD2      TYR  15  -4.592 -15.406   3.652
   98    HE1  TYR  15           HE1      TYR  15  -6.330 -17.612  -0.437
   99    HE2  TYR  15           HE2      TYR  15  -5.876 -17.520   3.834
  100    HH   TYR  15           HH       TYR  15  -6.273 -19.596   1.937
  101    H    ILE  16           H        ILE  16  -6.992 -14.298   1.233
  102    HA   ILE  16           HA       ILE  16  -7.973 -13.059   3.784
  103    HB   ILE  16           HB       ILE  16  -9.404 -13.787   1.213
  104   1HG1  ILE  16          1HG1      ILE  16  -8.277 -11.582   1.342
  105   2HG1  ILE  16          2HG1      ILE  16 -10.029 -11.422   1.227
  106   1HG2  ILE  16          1HG2      ILE  16 -10.731 -14.534   3.191
  107   2HG2  ILE  16          2HG2      ILE  16 -10.654 -12.892   3.830
  108   3HG2  ILE  16          3HG2      ILE  16 -11.506 -13.212   2.320
  109   1HD1  ILE  16          1HD1      ILE  16  -9.875 -11.430   3.876
  110   2HD1  ILE  16          2HD1      ILE  16  -8.220 -10.912   3.563
  111   3HD1  ILE  16          3HD1      ILE  16  -9.571  -9.949   2.969
  112    H    TYR  17           H        TYR  17  -7.493 -14.763   5.192
  113    HA   TYR  17           HA       TYR  17  -7.705 -17.554   4.508
  114   1HB   TYR  17          1HB       TYR  17  -6.312 -16.787   6.341
  115   2HB   TYR  17          2HB       TYR  17  -7.693 -16.029   7.134
  116    HD1  TYR  17           HD1      TYR  17  -6.388 -19.340   5.980
  117    HD2  TYR  17           HD2      TYR  17  -9.038 -17.257   8.645
  118    HE1  TYR  17           HE1      TYR  17  -6.911 -21.474   7.131
  119    HE2  TYR  17           HE2      TYR  17  -9.566 -19.392   9.791
  120    HH   TYR  17           HH       TYR  17  -9.243 -22.209   8.664
  121    H    GLU  18           H        GLU  18  -9.488 -18.887   4.561
  122    HA   GLU  18           HA       GLU  18 -12.065 -17.703   5.532
  123   1HB   GLU  18          1HB       GLU  18 -11.418 -19.760   3.397
  124   2HB   GLU  18          2HB       GLU  18 -13.055 -19.288   3.855
  125   1HG   GLU  18          1HG       GLU  18 -12.916 -17.292   2.765
  126   2HG   GLU  18          2HG       GLU  18 -11.242 -17.034   3.255
  127    HA   PRO  19           HA       PRO  19 -11.461 -21.072   8.487
  128   1HB   PRO  19          1HB       PRO  19 -13.481 -20.306  10.173
  129   2HB   PRO  19          2HB       PRO  19 -11.866 -19.596  10.197
  130   1HG   PRO  19          1HG       PRO  19 -14.371 -18.525   9.021
  131   2HG   PRO  19          2HG       PRO  19 -13.063 -17.679   9.849
  132   1HD   PRO  19          1HD       PRO  19 -13.370 -17.723   7.126
  133   2HD   PRO  19          2HD       PRO  19 -11.814 -17.482   7.945
  134    H    GLU  20           H        GLU  20 -14.811 -20.008   8.007
  135    HA   GLU  20           HA       GLU  20 -16.196 -22.389   8.260
  136   1HB   GLU  20          1HB       GLU  20 -16.502 -19.822   6.889
  137   2HB   GLU  20          2HB       GLU  20 -17.408 -21.116   6.104
  138   1HG   GLU  20          1HG       GLU  20 -17.537 -20.895   9.088
  139   2HG   GLU  20          2HG       GLU  20 -18.465 -19.750   8.121
  140    H    LYS  21           H        LYS  21 -14.108 -21.460   5.583
  141    HA   LYS  21           HA       LYS  21 -14.973 -23.862   4.037
  142   1HB   LYS  21          1HB       LYS  21 -13.501 -21.298   3.437
  143   2HB   LYS  21          2HB       LYS  21 -13.447 -22.653   2.308
  144   1HG   LYS  21          1HG       LYS  21 -15.806 -22.605   1.980
  145   2HG   LYS  21          2HG       LYS  21 -16.056 -21.564   3.381
  146   1HD   LYS  21          2HD       LYS  21 -14.447 -19.939   2.015
  147   2HD   LYS  21          1HD       LYS  21 -16.180 -19.983   1.695
  148   1HE   LYS  21          2HE       LYS  21 -14.717 -22.036   0.193
  149   2HE   LYS  21          1HE       LYS  21 -14.199 -20.387  -0.209
  150   1HZ   LYS  21          1HZ       LYS  21 -16.609 -19.800  -0.307
  151   2HZ   LYS  21          2HZ       LYS  21 -16.114 -20.873  -1.523
  152   3HZ   LYS  21          3HZ       LYS  21 -16.974 -21.454  -0.178
  153    H    GLY  22           H        GLY  22 -12.221 -22.456   5.735
  154   1HA   GLY  22          1HA       GLY  22 -10.385 -23.695   6.623
  155   2HA   GLY  22          2HA       GLY  22 -10.878 -25.078   5.644
  156    H    ASP  23           H        ASP  23  -8.203 -23.873   5.889
  157    HA   ASP  23           HA       ASP  23  -7.686 -22.510   3.337
  158   1HB   ASP  23          1HB       ASP  23  -6.430 -22.939   5.904
  159   2HB   ASP  23          2HB       ASP  23  -5.303 -23.358   4.614
  160    H    LYS  24           H        LYS  24  -8.771 -24.675   2.419
  161    HA   LYS  24           HA       LYS  24  -7.564 -27.173   2.289
  162   1HB   LYS  24          1HB       LYS  24  -9.261 -25.473   0.616
  163   2HB   LYS  24          2HB       LYS  24  -8.324 -26.627  -0.332
  164   1HG   LYS  24          1HG       LYS  24  -9.657 -27.627   2.148
  165   2HG   LYS  24          2HG       LYS  24 -10.675 -27.294   0.748
  166   1HD   LYS  24          1HD       LYS  24  -8.252 -28.716  -0.015
  167   2HD   LYS  24          2HD       LYS  24  -9.170 -29.614   1.193
  168   1HE   LYS  24          1HE       LYS  24 -10.656 -28.389  -1.114
  169   2HE   LYS  24          2HE       LYS  24  -9.758 -29.897  -1.374
  170   1HZ   LYS  24          1HZ       LYS  24 -11.556 -29.494   0.951
  171   2HZ   LYS  24          2HZ       LYS  24 -12.121 -30.130  -0.517
  172   3HZ   LYS  24          3HZ       LYS  24 -10.921 -30.955   0.358
  173    H    PHE  25           H        PHE  25  -6.381 -24.180   0.876
  174    HA   PHE  25           HA       PHE  25  -4.433 -25.463  -0.887
  175   1HB   PHE  25          1HB       PHE  25  -5.621 -22.962  -0.567
  176   2HB   PHE  25          2HB       PHE  25  -3.943 -22.689  -0.099
  177    HD1  PHE  25           HD1      PHE  25  -2.091 -23.359  -1.681
  178    HD2  PHE  25           HD2      PHE  25  -6.228 -23.345  -2.837
  179    HE1  PHE  25           HE1      PHE  25  -1.424 -23.386  -4.070
  180    HE2  PHE  25           HE2      PHE  25  -5.560 -23.371  -5.225
  181    HZ   PHE  25           HZ       PHE  25  -3.158 -23.393  -5.842
  182    H    ALA  26           H        ALA  26  -4.541 -24.552   2.464
  183    HA   ALA  26           HA       ALA  26  -1.569 -24.729   2.700
  184   1HB   ALA  26          3HB       ALA  26  -1.831 -23.238   4.413
  185   2HB   ALA  26          2HB       ALA  26  -3.245 -24.083   5.047
  186   3HB   ALA  26          1HB       ALA  26  -3.419 -22.963   3.694
  187    H    GLY  27           H        GLY  27  -4.592 -26.225   3.741
  188   1HA   GLY  27          1HA       GLY  27  -4.347 -28.743   4.053
  189   2HA   GLY  27          2HA       GLY  27  -2.989 -28.353   5.106
  190    H    ILE  28           H        ILE  28  -5.992 -26.482   5.038
  191    HA   ILE  28           HA       ILE  28  -6.637 -27.590   7.750
  192    HB   ILE  28           HB       ILE  28  -6.650 -24.749   6.693
  193   1HG1  ILE  28          1HG1      ILE  28  -5.336 -25.200   9.225
  194   2HG1  ILE  28          2HG1      ILE  28  -4.712 -26.327   8.021
  195   1HG2  ILE  28          1HG2      ILE  28  -7.687 -25.849   9.323
  196   2HG2  ILE  28          2HG2      ILE  28  -7.445 -24.135   8.986
  197   3HG2  ILE  28          3HG2      ILE  28  -8.640 -25.054   8.071
  198   1HD1  ILE  28          1HD1      ILE  28  -4.914 -23.890   6.659
  199   2HD1  ILE  28          2HD1      ILE  28  -4.288 -23.456   8.248
  200   3HD1  ILE  28          3HD1      ILE  28  -3.431 -24.634   7.255
  201    HA   PRO  29           HA       PRO  29 -10.479 -28.322   5.554
  202   1HB   PRO  29          1HB       PRO  29 -11.835 -29.444   7.653
  203   2HB   PRO  29          2HB       PRO  29 -10.635 -30.328   6.689
  204   1HG   PRO  29          1HG       PRO  29 -10.351 -29.033   9.361
  205   2HG   PRO  29          2HG       PRO  29  -9.702 -30.574   8.782
  206   1HD   PRO  29          1HD       PRO  29  -8.219 -28.296   8.967
  207   2HD   PRO  29          2HD       PRO  29  -7.893 -29.577   7.781
  208    HA   PRO  30           HA       PRO  30 -13.110 -25.014   6.801
  209   1HB   PRO  30          1HB       PRO  30 -15.635 -26.033   6.586
  210   2HB   PRO  30          2HB       PRO  30 -14.627 -25.655   5.177
  211   1HG   PRO  30          2HG       PRO  30 -15.047 -27.884   4.765
  212   2HG   PRO  30          1HG       PRO  30 -15.161 -28.276   6.488
  213   1HD   PRO  30          1HD       PRO  30 -13.033 -29.062   6.174
  214   2HD   PRO  30          2HD       PRO  30 -12.752 -28.022   4.762
  215    H    GLY  31           H        GLY  31 -15.499 -24.953   8.186
  216   1HA   GLY  31          1HA       GLY  31 -16.260 -24.848  10.410
  217   2HA   GLY  31          2HA       GLY  31 -15.863 -26.565  10.440
  218    H    THR  32           H        THR  32 -13.365 -24.187   9.862
  219    HA   THR  32           HA       THR  32 -12.390 -24.560  12.671
  220    HB   THR  32           HB       THR  32 -10.887 -24.791  10.048
  221    HG1  THR  32           HG1      THR  32 -12.039 -26.634  10.598
  222   1HG2  THR  32          1HG2      THR  32  -9.890 -24.943  12.907
  223   2HG2  THR  32          2HG2      THR  32  -8.934 -25.341  11.480
  224   3HG2  THR  32          3HG2      THR  32  -9.495 -23.688  11.733
  225    HA   PRO  33           HA       PRO  33 -12.202 -20.106  12.030
  226   1HB   PRO  33          1HB       PRO  33 -11.637 -19.452  14.623
  227   2HB   PRO  33          2HB       PRO  33 -13.272 -19.845  14.058
  228   1HG   PRO  33          2HG       PRO  33 -13.079 -21.441  15.696
  229   2HG   PRO  33          1HG       PRO  33 -11.319 -21.523  15.550
  230   1HD   PRO  33          1HD       PRO  33 -11.722 -23.425  14.363
  231   2HD   PRO  33          2HD       PRO  33 -13.406 -22.968  14.032
  232    H    PHE  34           H        PHE  34 -10.461 -18.587  11.933
  233    HA   PHE  34           HA       PHE  34  -7.852 -19.561  11.468
  234   1HB   PHE  34          1HB       PHE  34  -8.570 -17.456  10.597
  235   2HB   PHE  34          2HB       PHE  34  -9.020 -16.864  12.186
  236    HD1  PHE  34           HD1      PHE  34  -7.216 -16.375  13.882
  237    HD2  PHE  34           HD2      PHE  34  -6.342 -17.233   9.765
  238    HE1  PHE  34           HE1      PHE  34  -4.958 -15.393  14.157
  239    HE2  PHE  34           HE2      PHE  34  -4.080 -16.252  10.041
  240    HZ   PHE  34           HZ       PHE  34  -3.389 -15.330  12.238
  241    H    VAL  35           H        VAL  35  -9.419 -18.695  14.480
  242    HA   VAL  35           HA       VAL  35  -7.026 -18.307  16.056
  243    HB   VAL  35           HB       VAL  35  -8.672 -18.579  17.922
  244   1HG1  VAL  35          1HG1      VAL  35  -9.259 -16.847  15.535
  245   2HG1  VAL  35          2HG1      VAL  35 -10.323 -16.797  16.941
  246   3HG1  VAL  35          3HG1      VAL  35  -8.618 -16.383  17.111
  247   1HG2  VAL  35          1HG2      VAL  35 -10.083 -20.008  15.845
  248   2HG2  VAL  35          2HG2      VAL  35 -10.448 -19.919  17.567
  249   3HG2  VAL  35          3HG2      VAL  35 -11.088 -18.699  16.466
  250    H    ASP  36           H        ASP  36  -8.609 -21.129  14.815
  251    HA   ASP  36           HA       ASP  36  -7.312 -22.891  16.840
  252   1HB   ASP  36          1HB       ASP  36  -9.790 -22.894  15.806
  253   2HB   ASP  36          2HB       ASP  36  -8.999 -23.907  14.597
  254    H    LEU  37           H        LEU  37  -6.376 -21.488  13.990
  255    HA   LEU  37           HA       LEU  37  -5.432 -23.547  12.313
  256   1HB   LEU  37          1HB       LEU  37  -4.456 -20.788  13.056
  257   2HB   LEU  37          2HB       LEU  37  -3.620 -21.751  11.836
  258    HG   LEU  37           HG       LEU  37  -6.577 -21.070  11.774
  259   1HD1  LEU  37          1HD1      LEU  37  -4.557 -19.306  11.320
  260   2HD1  LEU  37          2HD1      LEU  37  -4.720 -20.023   9.716
  261   3HD1  LEU  37          3HD1      LEU  37  -6.106 -19.248  10.482
  262   1HD2  LEU  37          1HD2      LEU  37  -4.858 -22.916  10.293
  263   2HD2  LEU  37          2HD2      LEU  37  -6.619 -22.809  10.330
  264   3HD2  LEU  37          3HD2      LEU  37  -5.696 -21.780   9.234
  265    H    SER  38           H        SER  38  -3.031 -24.165  12.092
  266    HA   SER  38           HA       SER  38  -2.120 -25.521  14.440
  267   1HB   SER  38          2HB       SER  38  -0.463 -26.302  13.003
  268   2HB   SER  38          1HB       SER  38  -0.271 -24.737  12.212
  269    HG   SER  38           HG       SER  38  -1.548 -26.685  11.228
  270    H    ASP  39           H        ASP  39  -0.035 -25.098  15.575
  271    HA   ASP  39           HA       ASP  39   0.164 -22.458  16.633
  272   1HB   ASP  39          1HB       ASP  39   1.245 -25.035  17.036
  273   2HB   ASP  39          2HB       ASP  39   2.629 -23.968  16.804
  274    H    SER  40           H        SER  40   1.465 -23.848  13.729
  275    HA   SER  40           HA       SER  40   3.038 -21.338  13.270
  276   1HB   SER  40          1HB       SER  40   3.872 -24.123  13.449
  277   2HB   SER  40          2HB       SER  40   4.310 -23.422  11.892
  278    HG   SER  40           HG       SER  40   4.956 -22.479  14.479
  279    H    PHE  41           H        PHE  41   0.497 -21.427  12.304
  280    HA   PHE  41           HA       PHE  41   0.207 -22.704   9.726
  281   1HB   PHE  41          1HB       PHE  41  -1.751 -22.139  10.941
  282   2HB   PHE  41          2HB       PHE  41  -1.188 -20.514  11.277
  283    HD1  PHE  41           HD1      PHE  41  -2.452 -22.765   8.598
  284    HD2  PHE  41           HD2      PHE  41  -1.576 -18.717   9.742
  285    HE1  PHE  41           HE1      PHE  41  -3.630 -21.937   6.578
  286    HE2  PHE  41           HE2      PHE  41  -2.755 -17.891   7.724
  287    HZ   PHE  41           HZ       PHE  41  -3.781 -19.501   6.142
  288    H    MET  42           H        MET  42   1.005 -22.018   7.775
  289    HA   MET  42           HA       MET  42   2.165 -19.256   7.629
  290   1HB   MET  42          1HB       MET  42   2.786 -21.690   5.925
  291   2HB   MET  42          2HB       MET  42   3.710 -20.192   6.016
  292   1HG   MET  42          1HG       MET  42   3.928 -20.750   8.553
  293   2HG   MET  42          2HG       MET  42   3.474 -22.384   8.069
  294   1HE   MET  42          1HE       MET  42   5.683 -19.755   8.487
  295   2HE   MET  42          2HE       MET  42   6.841 -20.955   9.079
  296   3HE   MET  42          3HE       MET  42   7.197 -20.021   7.627
  297    H    CYS  43           H        CYS  43   1.476 -17.923   5.945
  298    HA   CYS  43           HA       CYS  43  -1.060 -18.245   4.760
  299   1HB   CYS  43          1HB       CYS  43   0.430 -16.193   5.017
  300   2HB   CYS  43          2HB       CYS  43   1.297 -16.761   3.592
  301    HA   PRO  44           HA       PRO  44  -0.040 -21.202   1.575
  302   1HB   PRO  44          1HB       PRO  44  -2.433 -21.134   0.252
  303   2HB   PRO  44          2HB       PRO  44  -2.198 -22.006   1.778
  304   1HG   PRO  44          1HG       PRO  44  -3.457 -19.356   1.275
  305   2HG   PRO  44          2HG       PRO  44  -3.910 -20.619   2.429
  306   1HD   PRO  44          1HD       PRO  44  -2.531 -18.338   3.091
  307   2HD   PRO  44          2HD       PRO  44  -2.458 -19.852   4.016
  308    H    ALA  45           H        ALA  45  -0.476 -17.872   1.234
  309    HA   ALA  45           HA       ALA  45  -0.006 -17.994  -1.719
  310   1HB   ALA  45          2HB       ALA  45  -0.813 -15.437  -0.527
  311   2HB   ALA  45          3HB       ALA  45  -1.516 -16.305  -1.892
  312   3HB   ALA  45          1HB       ALA  45  -1.975 -16.732  -0.243
  313    H    CYS  46           H        CYS  46   1.028 -16.476   1.331
  314    HA   CYS  46           HA       CYS  46   3.509 -15.619  -0.105
  315   1HB   CYS  46          1HB       CYS  46   3.334 -13.485   0.797
  316   2HB   CYS  46          2HB       CYS  46   1.637 -13.894   0.592
  317    H    ARG  47           H        ARG  47   2.641 -17.927   1.818
  318    HA   ARG  47           HA       ARG  47   3.591 -19.138   3.611
  319   1HB   ARG  47          1HB       ARG  47   6.023 -17.797   2.390
  320   2HB   ARG  47          2HB       ARG  47   6.023 -19.297   3.318
  321   1HG   ARG  47          1HG       ARG  47   4.497 -20.304   1.617
  322   2HG   ARG  47          2HG       ARG  47   4.618 -18.821   0.671
  323   1HD   ARG  47          1HD       ARG  47   7.154 -19.173   0.681
  324   2HD   ARG  47          2HD       ARG  47   6.826 -20.797   1.314
  325    HE   ARG  47           HE       ARG  47   5.439 -21.193  -0.731
  326   1HH1  ARG  47          1HH1      ARG  47   8.356 -19.633  -0.960
  327   2HH1  ARG  47          2HH1      ARG  47   8.093 -18.957  -2.533
  328   1HH2  ARG  47          1HH2      ARG  47   4.737 -19.818  -2.637
  329   2HH2  ARG  47          2HH2      ARG  47   6.046 -19.060  -3.481
  330    H    SER  48           H        SER  48   2.945 -16.147   4.222
  331    HA   SER  48           HA       SER  48   4.993 -15.312   6.120
  332   1HB   SER  48          1HB       SER  48   3.661 -13.617   5.127
  333   2HB   SER  48          2HB       SER  48   2.167 -14.505   5.428
  334    HG   SER  48           HG       SER  48   3.218 -12.660   6.929
  335    HA   PRO  49           HA       PRO  49   3.677 -17.654   9.615
  336   1HB   PRO  49          1HB       PRO  49   4.146 -15.882  11.656
  337   2HB   PRO  49          2HB       PRO  49   5.440 -16.749  10.806
  338   1HG   PRO  49          2HG       PRO  49   6.110 -14.564  10.446
  339   2HG   PRO  49          1HG       PRO  49   4.448 -13.958  10.411
  340   1HD   PRO  49          1HD       PRO  49   4.820 -14.006   8.138
  341   2HD   PRO  49          2HD       PRO  49   6.020 -15.311   8.263
  342    H    LYS  50           H        LYS  50   1.741 -17.983  10.722
  343    HA   LYS  50           HA       LYS  50  -0.618 -16.627  10.102
  344   1HB   LYS  50          1HB       LYS  50  -0.333 -18.848  11.220
  345   2HB   LYS  50          2HB       LYS  50   0.111 -18.008  12.705
  346   1HG   LYS  50          1HG       LYS  50  -2.104 -16.834  12.637
  347   2HG   LYS  50          2HG       LYS  50  -2.543 -17.833  11.250
  348   1HD   LYS  50          1HD       LYS  50  -2.983 -19.622  12.561
  349   2HD   LYS  50          2HD       LYS  50  -1.485 -19.418  13.467
  350   1HE   LYS  50          1HE       LYS  50  -3.902 -17.647  13.918
  351   2HE   LYS  50          2HE       LYS  50  -3.615 -19.130  14.843
  352   1HZ   LYS  50          1HZ       LYS  50  -1.525 -17.055  14.483
  353   2HZ   LYS  50          2HZ       LYS  50  -2.625 -17.000  15.777
  354   3HZ   LYS  50          3HZ       LYS  50  -1.564 -18.317  15.617
  355    H    ASN  51           H        ASN  51   1.801 -15.735  12.495
  356    HA   ASN  51           HA       ASN  51   0.194 -13.938  14.043
  357   1HB   ASN  51          1HB       ASN  51   2.842 -14.861  13.919
  358   2HB   ASN  51          2HB       ASN  51   2.967 -13.117  13.692
  359   2HD2  ASN  51          2HD2      ASN  51   1.287 -11.911  15.324
  360   1HD2  ASN  51          1HD2      ASN  51   1.384 -12.451  16.930
  361    H    GLN  52           H        GLN  52   1.319 -13.743  10.799
  362    HA   GLN  52           HA       GLN  52   1.275 -10.791  10.701
  363   1HB   GLN  52          1HB       GLN  52   2.431 -12.954   9.271
  364   2HB   GLN  52          2HB       GLN  52   1.343 -12.137   8.149
  365   1HG   GLN  52          1HG       GLN  52   3.479 -10.771   9.819
  366   2HG   GLN  52          2HG       GLN  52   3.618 -11.149   8.101
  367   2HE2  GLN  52          2HE2      GLN  52   1.061 -10.453   7.166
  368   1HE2  GLN  52          1HE2      GLN  52   0.809  -8.791   7.395
  369    H    PHE  53           H        PHE  53  -1.101 -13.136  10.804
  370    HA   PHE  53           HA       PHE  53  -2.808 -12.018   8.662
  371   1HB   PHE  53          1HB       PHE  53  -2.926 -14.260  10.665
  372   2HB   PHE  53          2HB       PHE  53  -4.389 -13.761   9.818
  373    HD1  PHE  53           HD1      PHE  53  -0.796 -14.591   9.123
  374    HD2  PHE  53           HD2      PHE  53  -4.861 -14.697   7.736
  375    HE1  PHE  53           HE1      PHE  53  -0.081 -15.872   7.122
  376    HE2  PHE  53           HE2      PHE  53  -4.146 -15.977   5.736
  377    HZ   PHE  53           HZ       PHE  53  -1.757 -16.564   5.431
  378    H    LYS  54           H        LYS  54  -4.744 -10.887   9.050
  379    HA   LYS  54           HA       LYS  54  -5.229  -9.957  11.859
  380   1HB   LYS  54          1HB       LYS  54  -4.041  -8.368  10.175
  381   2HB   LYS  54          2HB       LYS  54  -5.615  -8.263   9.386
  382   1HG   LYS  54          1HG       LYS  54  -5.811  -7.945  12.283
  383   2HG   LYS  54          2HG       LYS  54  -4.768  -6.726  11.552
  384   1HD   LYS  54          1HD       LYS  54  -6.879  -6.831   9.781
  385   2HD   LYS  54          2HD       LYS  54  -7.680  -7.077  11.333
  386   1HE   LYS  54          1HE       LYS  54  -7.480  -4.862  11.771
  387   2HE   LYS  54          2HE       LYS  54  -5.715  -5.000  11.646
  388   1HZ   LYS  54          1HZ       LYS  54  -6.031  -4.996   9.181
  389   2HZ   LYS  54          2HZ       LYS  54  -7.663  -4.597   9.433
  390   3HZ   LYS  54          3HZ       LYS  54  -6.437  -3.529   9.929
  391    H    SER  55           H        SER  55  -7.387 -10.162  12.454
  392    HA   SER  55           HA       SER  55  -9.231 -11.529  10.706
  393   1HB   SER  55          1HB       SER  55 -10.788 -11.147  12.601
  394   2HB   SER  55          2HB       SER  55  -9.230 -11.749  13.135
  395    HG   SER  55           HG       SER  55  -8.739  -9.852  13.980
  396    H    ILE  56           H        ILE  56 -11.535 -10.589  10.554
  397    HA   ILE  56           HA       ILE  56 -11.684  -7.675  10.079
  398    HB   ILE  56           HB       ILE  56 -10.645  -8.549   8.034
  399   1HG1  ILE  56          1HG1      ILE  56 -13.400  -8.235   7.028
  400   2HG1  ILE  56          2HG1      ILE  56 -12.887  -6.972   8.148
  401   1HG2  ILE  56          1HG2      ILE  56 -12.421 -10.743   8.549
  402   2HG2  ILE  56          2HG2      ILE  56 -12.767 -10.103   6.942
  403   3HG2  ILE  56          3HG2      ILE  56 -11.135 -10.635   7.347
  404   1HD1  ILE  56          1HD1      ILE  56 -11.342  -7.854   5.688
  405   2HD1  ILE  56          2HD1      ILE  56 -12.335  -6.400   5.795
  406   3HD1  ILE  56          3HD1      ILE  56 -10.886  -6.552   6.789
  407    H    LYS  57           H        LYS  57 -13.224  -8.529  11.933
  408    HA   LYS  57           HA       LYS  57 -15.669  -9.880  11.065
  409   1HB   LYS  57          1HB       LYS  57 -14.360  -8.926  13.518
  410   2HB   LYS  57          2HB       LYS  57 -16.115  -8.744  13.550
  411   1HG   LYS  57          1HG       LYS  57 -16.426 -11.095  13.046
  412   2HG   LYS  57          2HG       LYS  57 -14.696 -11.312  12.784
  413   1HD   LYS  57          1HD       LYS  57 -15.365 -10.142  15.401
  414   2HD   LYS  57          2HD       LYS  57 -15.989 -11.775  15.168
  415   1HE   LYS  57          1HE       LYS  57 -13.687 -11.806  16.128
  416   2HE   LYS  57          2HE       LYS  57 -13.716 -12.540  14.514
  417   1HZ   LYS  57          1HZ       LYS  57 -13.170  -9.661  15.007
  418   2HZ   LYS  57          2HZ       LYS  57 -11.943 -10.824  14.837
  419   3HZ   LYS  57          3HZ       LYS  57 -12.998 -10.502  13.545
  420    H    LYS  58           H        LYS  58 -15.576  -7.840   9.350
  421    HA   LYS  58           HA       LYS  58 -17.527  -5.837  10.442
  422   1HB   LYS  58          1HB       LYS  58 -15.039  -5.534   8.764
  423   2HB   LYS  58          2HB       LYS  58 -16.315  -4.318   8.700
  424   1HG   LYS  58          1HG       LYS  58 -16.174  -4.142  11.207
  425   2HG   LYS  58          2HG       LYS  58 -14.773  -5.213  11.152
  426   1HD   LYS  58          1HD       LYS  58 -13.802  -3.531   9.442
  427   2HD   LYS  58          2HD       LYS  58 -15.052  -2.429  10.021
  428   1HE   LYS  58          1HE       LYS  58 -13.889  -2.002  11.926
  429   2HE   LYS  58          2HE       LYS  58 -13.638  -3.732  12.228
  430   1HZ   LYS  58          1HZ       LYS  58 -12.172  -2.151  10.179
  431   2HZ   LYS  58          2HZ       LYS  58 -11.553  -2.513  11.719
  432   3HZ   LYS  58          3HZ       LYS  58 -11.878  -3.763  10.615
  433    H    VAL  59           H        VAL  59 -19.414  -6.591   9.461
  434    HA   VAL  59           HA       VAL  59 -19.349  -6.826   6.473
  435    HB   VAL  59           HB       VAL  59 -19.442  -9.030   7.578
  436   1HG1  VAL  59          1HG1      VAL  59 -21.041  -7.651   9.442
  437   2HG1  VAL  59          2HG1      VAL  59 -22.117  -8.814   8.667
  438   3HG1  VAL  59          3HG1      VAL  59 -20.640  -9.368   9.455
  439   1HG2  VAL  59          1HG2      VAL  59 -21.738  -7.952   6.016
  440   2HG2  VAL  59          2HG2      VAL  59 -20.608  -9.243   5.608
  441   3HG2  VAL  59          3HG2      VAL  59 -21.933  -9.553   6.730
  442    H    ILE  60           H        ILE  60 -20.407  -4.937   5.897
  443    HA   ILE  60           HA       ILE  60 -22.772  -4.046   7.459
  444    HB   ILE  60           HB       ILE  60 -21.352  -2.806   5.078
  445   1HG1  ILE  60          1HG1      ILE  60 -20.957  -2.198   8.021
  446   2HG1  ILE  60          2HG1      ILE  60 -19.876  -3.233   7.087
  447   1HG2  ILE  60          1HG2      ILE  60 -23.348  -1.803   7.115
  448   2HG2  ILE  60          2HG2      ILE  60 -22.343  -0.704   6.170
  449   3HG2  ILE  60          3HG2      ILE  60 -23.483  -1.778   5.357
  450   1HD1  ILE  60          1HD1      ILE  60 -20.312  -0.827   5.600
  451   2HD1  ILE  60          2HD1      ILE  60 -19.876  -0.382   7.251
  452   3HD1  ILE  60          3HD1      ILE  60 -18.805  -1.415   6.303
  453    H    ALA  61           H        ALA  61 -23.544  -6.346   6.328
  454    HA   ALA  61           HA       ALA  61 -25.357  -5.471   4.141
  455   1HB   ALA  61          2HB       ALA  61 -24.631  -7.677   2.965
  456   2HB   ALA  61          3HB       ALA  61 -23.542  -6.292   2.869
  457   3HB   ALA  61          1HB       ALA  61 -23.216  -7.592   4.015
  458    H    GLY  62           H        GLY  62 -27.095  -5.810   5.644
  459   1HA   GLY  62          1HA       GLY  62 -27.848  -8.646   5.957
  460   2HA   GLY  62          2HA       GLY  62 -27.676  -7.726   7.453
  461    H    PHE  63           H        PHE  63 -29.817  -7.500   8.079
  462    HA   PHE  63           HA       PHE  63 -31.893  -6.786   6.116
  463   1HB   PHE  63          1HB       PHE  63 -31.806  -8.191   8.463
  464   2HB   PHE  63          2HB       PHE  63 -32.436  -6.641   9.021
  465    HD1  PHE  63           HD1      PHE  63 -32.964  -9.372   6.539
  466    HD2  PHE  63           HD2      PHE  63 -34.668  -5.974   8.542
  467    HE1  PHE  63           HE1      PHE  63 -35.192  -9.943   5.613
  468    HE2  PHE  63           HE2      PHE  63 -36.897  -6.546   7.614
  469    HZ   PHE  63           HZ       PHE  63 -37.158  -8.529   6.149
  470    H    ALA  64           H        ALA  64 -32.766  -4.729   5.865
  471    HA   ALA  64           HA       ALA  64 -31.297  -2.480   7.093
  472   1HB   ALA  64          1HB       ALA  64 -32.604  -3.061   4.662
  473   2HB   ALA  64          3HB       ALA  64 -31.850  -1.532   5.117
  474   3HB   ALA  64          2HB       ALA  64 -33.567  -1.794   5.423
  475    H    GLU  65           H        GLU  65 -32.068  -1.357   8.834
  476    HA   GLU  65           HA       GLU  65 -34.969  -1.165   9.346
  477   1HB   GLU  65          1HB       GLU  65 -34.664  -2.163  11.630
  478   2HB   GLU  65          2HB       GLU  65 -34.371  -3.318  10.330
  479   1HG   GLU  65          1HG       GLU  65 -32.034  -3.233  10.617
  480   2HG   GLU  65          2HG       GLU  65 -32.106  -1.706  11.495
  481    H    ASN  66           H        ASN  66 -33.285   0.924   8.711
  482    HA   ASN  66           HA       ASN  66 -32.408   2.187  11.260
  483   1HB   ASN  66          1HB       ASN  66 -31.548   2.123   8.555
  484   2HB   ASN  66          2HB       ASN  66 -32.057   3.780   8.880
  485   2HD2  ASN  66          2HD2      ASN  66 -29.738   1.264   9.801
  486   1HD2  ASN  66          1HD2      ASN  66 -28.736   2.277  10.725
  487    H    GLN  67           H        GLN  67 -34.712   2.634   8.592
  488    HA   GLN  67           HA       GLN  67 -36.305   4.454  10.316
  489   1HB   GLN  67          1HB       GLN  67 -34.702   5.866   9.078
  490   2HB   GLN  67          2HB       GLN  67 -35.241   5.151   7.558
  491   1HG   GLN  67          1HG       GLN  67 -37.334   6.198   7.658
  492   2HG   GLN  67          2HG       GLN  67 -37.241   6.431   9.404
  493   2HE2  GLN  67          2HE2      GLN  67 -37.574   8.424   7.064
  494   1HE2  GLN  67          1HE2      GLN  67 -36.372   9.589   7.350
  495    H    LYS  68           H        LYS  68 -37.996   2.893  10.279
  496    HA   LYS  68           HA       LYS  68 -38.927   1.648   7.823
  497   1HB   LYS  68          1HB       LYS  68 -40.749   0.882   9.344
  498   2HB   LYS  68          2HB       LYS  68 -39.151   0.633  10.048
  499   1HG   LYS  68          1HG       LYS  68 -39.945   3.259  10.761
  500   2HG   LYS  68          2HG       LYS  68 -41.336   2.217  11.059
  501   1HD   LYS  68          1HD       LYS  68 -39.932   0.697  12.387
  502   2HD   LYS  68          2HD       LYS  68 -38.519   1.700  12.061
  503   1HE   LYS  68          1HE       LYS  68 -40.322   3.552  13.039
  504   2HE   LYS  68          2HE       LYS  68 -40.689   2.114  14.009
  505   1HZ   LYS  68          1HZ       LYS  68 -37.961   3.194  13.502
  506   2HZ   LYS  68          2HZ       LYS  68 -38.835   3.409  14.944
  507   3HZ   LYS  68          3HZ       LYS  68 -38.340   1.854  14.472
  508    H    TYR  69           H        TYR  69 -41.011   2.072   6.807
  509    HA   TYR  69           HA       TYR  69 -41.760   4.951   6.886
  510   1HB   TYR  69          1HB       TYR  69 -41.165   3.813   4.760
  511   2HB   TYR  69          2HB       TYR  69 -42.494   2.680   5.009
  512    HD1  TYR  69           HD1      TYR  69 -44.852   3.478   4.964
  513    HD2  TYR  69           HD2      TYR  69 -41.560   6.068   4.013
  514    HE1  TYR  69           HE1      TYR  69 -46.421   5.091   3.920
  515    HE2  TYR  69           HE2      TYR  69 -43.129   7.680   2.970
  516    HH   TYR  69           HH       TYR  69 -46.492   7.502   3.390
  517    H    GLY  70           H        GLY  70 -43.207   5.177   8.626
  518   1HA   GLY  70          1HA       GLY  70 -45.537   3.306   8.686
  519   2HA   GLY  70          2HA       GLY  70 -44.976   4.242  10.072

  No H/Q in entry =         519
  Start of MODEL   21
    1    H1   MET   1          1H        MET   1 -16.603  -2.020   2.180
    2    H2   MET   1          2H        MET   1 -15.171  -2.726   1.602
    3    H3   MET   1          3H        MET   1 -16.668  -3.478   1.315
    4    HA   MET   1           HA       MET   1 -15.449  -4.607   3.099
    5   1HB   MET   1          1HB       MET   1 -14.981  -1.829   3.696
    6   2HB   MET   1          2HB       MET   1 -15.692  -2.611   5.107
    7   1HG   MET   1          1HG       MET   1 -13.345  -2.948   5.329
    8   2HG   MET   1          2HG       MET   1 -13.973  -4.483   4.733
    9   1HE   MET   1          1HE       MET   1 -11.609  -4.663   4.682
   10   2HE   MET   1          2HE       MET   1 -11.053  -5.033   3.044
   11   3HE   MET   1          3HE       MET   1 -10.493  -3.576   3.859
   12    H    GLU   2           H        GLU   2 -17.087  -5.915   3.781
   13    HA   GLU   2           HA       GLU   2 -19.174  -4.995   5.559
   14   1HB   GLU   2          1HB       GLU   2 -19.869  -4.052   3.330
   15   2HB   GLU   2          2HB       GLU   2 -19.978  -5.703   2.719
   16   1HG   GLU   2          1HG       GLU   2 -21.391  -5.561   5.210
   17   2HG   GLU   2          2HG       GLU   2 -21.946  -4.244   4.177
   18    H    ILE   3           H        ILE   3 -17.713  -6.984   6.262
   19    HA   ILE   3           HA       ILE   3 -19.394  -9.384   6.000
   20    HB   ILE   3           HB       ILE   3 -18.064  -9.597   4.016
   21   1HG1  ILE   3          1HG1      ILE   3 -16.687 -11.247   6.140
   22   2HG1  ILE   3          2HG1      ILE   3 -18.259 -11.638   5.442
   23   1HG2  ILE   3          1HG2      ILE   3 -16.125  -8.179   5.565
   24   2HG2  ILE   3          2HG2      ILE   3 -15.388  -9.680   5.005
   25   3HG2  ILE   3          3HG2      ILE   3 -16.079  -8.548   3.841
   26   1HD1  ILE   3          1HD1      ILE   3 -16.960 -11.382   3.155
   27   2HD1  ILE   3          2HD1      ILE   3 -15.545 -11.694   4.161
   28   3HD1  ILE   3          3HD1      ILE   3 -16.844 -12.884   4.073
   29    H    ASP   4           H        ASP   4 -18.442 -11.173   7.361
   30    HA   ASP   4           HA       ASP   4 -16.337 -10.788   9.232
   31   1HB   ASP   4          1HB       ASP   4 -17.764 -10.312  11.234
   32   2HB   ASP   4          2HB       ASP   4 -17.687  -8.966  10.098
   33    H    GLU   5           H        GLU   5 -15.918 -12.897   9.375
   34    HA   GLU   5           HA       GLU   5 -17.696 -14.741  10.729
   35   1HB   GLU   5          1HB       GLU   5 -18.357 -14.316   8.131
   36   2HB   GLU   5          2HB       GLU   5 -17.197 -15.629   7.935
   37   1HG   GLU   5          1HG       GLU   5 -18.863 -16.291  10.149
   38   2HG   GLU   5          2HG       GLU   5 -19.918 -15.778   8.832
   39    H    GLY   6           H        GLY   6 -15.300 -14.398  11.631
   40   1HA   GLY   6          1HA       GLY   6 -13.203 -15.366  12.050
   41   2HA   GLY   6          2HA       GLY   6 -13.904 -16.846  11.406
   42    H    LYS   7           H        LYS   7 -13.861 -14.075   9.324
   43    HA   LYS   7           HA       LYS   7 -11.994 -15.466   7.509
   44   1HB   LYS   7          1HB       LYS   7 -13.863 -13.111   7.431
   45   2HB   LYS   7          2HB       LYS   7 -12.641 -13.284   6.171
   46   1HG   LYS   7          1HG       LYS   7 -13.474 -15.540   5.653
   47   2HG   LYS   7          2HG       LYS   7 -14.675 -15.401   6.937
   48   1HD   LYS   7          1HD       LYS   7 -15.543 -13.332   5.739
   49   2HD   LYS   7          2HD       LYS   7 -14.499 -13.776   4.389
   50   1HE   LYS   7          1HE       LYS   7 -16.101 -16.038   5.358
   51   2HE   LYS   7          2HE       LYS   7 -17.091 -14.694   4.757
   52   1HZ   LYS   7          1HZ       LYS   7 -14.676 -15.595   3.305
   53   2HZ   LYS   7          2HZ       LYS   7 -16.170 -16.358   3.051
   54   3HZ   LYS   7          3HZ       LYS   7 -15.995 -14.701   2.716
   55    H    TYR   8           H        TYR   8  -9.843 -14.909   7.334
   56    HA   TYR   8           HA       TYR   8  -8.971 -12.359   8.662
   57   1HB   TYR   8          1HB       TYR   8  -7.887 -15.170   8.619
   58   2HB   TYR   8          2HB       TYR   8  -6.810 -13.814   8.951
   59    HD1  TYR   8           HD1      TYR   8 -10.139 -15.196   9.987
   60    HD2  TYR   8           HD2      TYR   8  -6.616 -13.023  11.138
   61    HE1  TYR   8           HE1      TYR   8 -10.956 -15.120  12.327
   62    HE2  TYR   8           HE2      TYR   8  -7.436 -12.936  13.478
   63    HH   TYR   8           HH       TYR   8  -9.298 -13.221  14.785
   64    H    GLU   9           H        GLU   9  -7.585 -11.051   7.478
   65    HA   GLU   9           HA       GLU   9  -6.863 -12.003   4.733
   66   1HB   GLU   9          1HB       GLU   9  -6.798  -9.539   4.253
   67   2HB   GLU   9          2HB       GLU   9  -8.374 -10.088   4.819
   68   1HG   GLU   9          1HG       GLU   9  -8.257  -8.795   6.668
   69   2HG   GLU   9          2HG       GLU   9  -6.620  -9.341   7.029
   70    H    CYS  10           H        CYS  10  -4.681 -11.904   4.109
   71    HA   CYS  10           HA       CYS  10  -2.684 -11.658   6.238
   72   1HB   CYS  10          1HB       CYS  10  -2.828 -13.249   4.166
   73   2HB   CYS  10          2HB       CYS  10  -2.157 -11.885   3.291
   74    H    GLU  11           H        GLU  11  -2.018  -9.614   6.835
   75    HA   GLU  11           HA       GLU  11  -2.267  -7.293   5.112
   76   1HB   GLU  11          1HB       GLU  11  -1.574  -7.992   7.812
   77   2HB   GLU  11          2HB       GLU  11  -0.334  -6.915   7.173
   78   1HG   GLU  11          1HG       GLU  11  -2.933  -5.970   6.361
   79   2HG   GLU  11          2HG       GLU  11  -2.916  -6.208   8.108
   80    H    ALA  12           H        ALA  12  -0.013  -9.865   5.254
   81    HA   ALA  12           HA       ALA  12   2.321  -8.332   4.356
   82   1HB   ALA  12          1HB       ALA  12   1.597 -11.140   5.061
   83   2HB   ALA  12          2HB       ALA  12   3.022 -10.894   4.052
   84   3HB   ALA  12          3HB       ALA  12   2.930 -10.145   5.647
   85    H    CYS  13           H        CYS  13   0.016 -10.667   2.838
   86    HA   CYS  13           HA       CYS  13   1.177  -9.796   0.216
   87   1HB   CYS  13          2HB       CYS  13   1.632 -12.155   1.081
   88   2HB   CYS  13          1HB       CYS  13   0.964 -12.046  -0.543
   89    H    GLY  14           H        GLY  14  -1.808 -10.635   1.938
   90   1HA   GLY  14          1HA       GLY  14  -3.778  -9.196   1.384
   91   2HA   GLY  14          2HA       GLY  14  -3.303  -9.336  -0.307
   92    H    TYR  15           H        TYR  15  -3.007 -12.167   1.650
   93    HA   TYR  15           HA       TYR  15  -5.048 -13.543   0.036
   94   1HB   TYR  15          1HB       TYR  15  -2.912 -14.605   0.529
   95   2HB   TYR  15          2HB       TYR  15  -3.154 -14.374   2.259
   96    HD1  TYR  15           HD1      TYR  15  -4.772 -15.728   3.503
   97    HD2  TYR  15           HD2      TYR  15  -4.152 -16.313  -0.707
   98    HE1  TYR  15           HE1      TYR  15  -5.976 -17.891   3.627
   99    HE2  TYR  15           HE2      TYR  15  -5.356 -18.478  -0.583
  100    HH   TYR  15           HH       TYR  15  -5.771 -20.215   1.795
  101    H    ILE  16           H        ILE  16  -6.775 -14.838   1.145
  102    HA   ILE  16           HA       ILE  16  -7.646 -13.603   3.738
  103    HB   ILE  16           HB       ILE  16  -9.197 -14.240   1.210
  104   1HG1  ILE  16          2HG1      ILE  16  -8.484 -11.736   2.735
  105   2HG1  ILE  16          1HG1      ILE  16  -9.847 -11.768   1.618
  106   1HG2  ILE  16          1HG2      ILE  16 -10.092 -13.950   4.031
  107   2HG2  ILE  16          2HG2      ILE  16 -11.025 -13.061   2.826
  108   3HG2  ILE  16          3HG2      ILE  16 -10.853 -14.813   2.694
  109   1HD1  ILE  16          1HD1      ILE  16  -7.721 -13.001   0.243
  110   2HD1  ILE  16          2HD1      ILE  16  -8.388 -11.396  -0.058
  111   3HD1  ILE  16          3HD1      ILE  16  -7.016 -11.591   1.034
  112    H    TYR  17           H        TYR  17  -7.573 -15.221   5.244
  113    HA   TYR  17           HA       TYR  17  -7.705 -18.045   4.523
  114   1HB   TYR  17          1HB       TYR  17  -6.295 -17.304   6.336
  115   2HB   TYR  17          2HB       TYR  17  -7.638 -16.470   7.114
  116    HD1  TYR  17           HD1      TYR  17  -6.399 -19.849   6.122
  117    HD2  TYR  17           HD2      TYR  17  -9.072 -17.603   8.627
  118    HE1  TYR  17           HE1      TYR  17  -6.963 -21.914   7.375
  119    HE2  TYR  17           HE2      TYR  17  -9.636 -19.669   9.876
  120    HH   TYR  17           HH       TYR  17  -9.590 -22.232   9.305
  121    H    GLU  18           H        GLU  18  -9.531 -19.294   4.463
  122    HA   GLU  18           HA       GLU  18 -12.086 -18.097   5.461
  123   1HB   GLU  18          1HB       GLU  18 -11.462 -20.216   3.378
  124   2HB   GLU  18          2HB       GLU  18 -13.089 -19.685   3.805
  125   1HG   GLU  18          1HG       GLU  18 -11.699 -17.310   3.335
  126   2HG   GLU  18          2HG       GLU  18 -11.122 -18.400   2.076
  127    HA   PRO  19           HA       PRO  19 -11.558 -21.363   8.515
  128   1HB   PRO  19          1HB       PRO  19 -13.724 -20.675  10.046
  129   2HB   PRO  19          2HB       PRO  19 -12.157 -19.870  10.148
  130   1HG   PRO  19          1HG       PRO  19 -14.644 -18.982   8.798
  131   2HG   PRO  19          2HG       PRO  19 -13.426 -18.037   9.660
  132   1HD   PRO  19          1HD       PRO  19 -13.596 -18.200   6.925
  133   2HD   PRO  19          2HD       PRO  19 -12.107 -17.819   7.813
  134    H    GLU  20           H        GLU  20 -14.960 -20.577   7.885
  135    HA   GLU  20           HA       GLU  20 -16.091 -23.109   8.099
  136   1HB   GLU  20          1HB       GLU  20 -16.902 -20.611   7.392
  137   2HB   GLU  20          2HB       GLU  20 -17.038 -21.438   5.841
  138   1HG   GLU  20          1HG       GLU  20 -18.846 -22.613   6.522
  139   2HG   GLU  20          2HG       GLU  20 -18.075 -23.049   8.047
  140    H    LYS  21           H        LYS  21 -14.048 -21.926   5.496
  141    HA   LYS  21           HA       LYS  21 -14.747 -24.266   3.796
  142   1HB   LYS  21          1HB       LYS  21 -14.470 -21.726   3.129
  143   2HB   LYS  21          2HB       LYS  21 -12.755 -22.133   3.095
  144   1HG   LYS  21          1HG       LYS  21 -12.972 -23.328   1.182
  145   2HG   LYS  21          2HG       LYS  21 -14.431 -24.133   1.757
  146   1HD   LYS  21          1HD       LYS  21 -15.643 -21.916   1.312
  147   2HD   LYS  21          2HD       LYS  21 -14.198 -21.429   0.425
  148   1HE   LYS  21          1HE       LYS  21 -15.337 -22.413  -1.331
  149   2HE   LYS  21          2HE       LYS  21 -14.612 -23.889  -0.665
  150   1HZ   LYS  21          1HZ       LYS  21 -17.144 -22.799   0.409
  151   2HZ   LYS  21          2HZ       LYS  21 -17.150 -23.825  -0.945
  152   3HZ   LYS  21          3HZ       LYS  21 -16.534 -24.380   0.534
  153    H    GLY  22           H        GLY  22 -11.957 -22.792   5.441
  154   1HA   GLY  22          1HA       GLY  22 -10.168 -24.062   6.433
  155   2HA   GLY  22          2HA       GLY  22 -10.644 -25.449   5.455
  156    H    ASP  23           H        ASP  23  -7.985 -24.126   5.762
  157    HA   ASP  23           HA       ASP  23  -7.440 -22.851   3.171
  158   1HB   ASP  23          1HB       ASP  23  -6.404 -22.660   5.678
  159   2HB   ASP  23          2HB       ASP  23  -5.257 -23.786   4.952
  160    H    LYS  24           H        LYS  24  -8.411 -25.143   2.356
  161    HA   LYS  24           HA       LYS  24  -7.076 -27.565   2.345
  162   1HB   LYS  24          1HB       LYS  24  -8.865 -26.058   0.640
  163   2HB   LYS  24          2HB       LYS  24  -7.784 -27.052  -0.336
  164   1HG   LYS  24          1HG       LYS  24  -9.040 -28.291   2.081
  165   2HG   LYS  24          2HG       LYS  24 -10.047 -28.048   0.653
  166   1HD   LYS  24          1HD       LYS  24  -8.485 -29.318  -0.718
  167   2HD   LYS  24          2HD       LYS  24  -7.363 -29.460   0.635
  168   1HE   LYS  24          1HE       LYS  24  -8.542 -31.534   0.628
  169   2HE   LYS  24          2HE       LYS  24  -9.362 -30.585   1.883
  170   1HZ   LYS  24          1HZ       LYS  24 -10.883 -29.773   0.117
  171   2HZ   LYS  24          2HZ       LYS  24 -10.165 -30.864  -0.969
  172   3HZ   LYS  24          3HZ       LYS  24 -11.013 -31.442   0.384
  173    H    PHE  25           H        PHE  25  -5.992 -24.583   0.817
  174    HA   PHE  25           HA       PHE  25  -3.995 -25.760  -0.910
  175   1HB   PHE  25          1HB       PHE  25  -5.088 -23.406  -0.880
  176   2HB   PHE  25          2HB       PHE  25  -3.888 -23.017   0.351
  177    HD1  PHE  25           HD1      PHE  25  -1.422 -23.359  -0.191
  178    HD2  PHE  25           HD2      PHE  25  -4.506 -23.477  -3.180
  179    HE1  PHE  25           HE1      PHE  25   0.281 -23.017  -1.962
  180    HE2  PHE  25           HE2      PHE  25  -2.802 -23.133  -4.950
  181    HZ   PHE  25           HZ       PHE  25  -0.409 -22.904  -4.341
  182    H    ALA  26           H        ALA  26  -4.076 -24.856   2.486
  183    HA   ALA  26           HA       ALA  26  -1.147 -25.358   2.752
  184   1HB   ALA  26          3HB       ALA  26  -1.635 -23.421   3.913
  185   2HB   ALA  26          1HB       ALA  26  -3.294 -23.920   4.245
  186   3HB   ALA  26          2HB       ALA  26  -1.965 -24.584   5.196
  187    H    GLY  27           H        GLY  27  -4.300 -26.650   3.612
  188   1HA   GLY  27          1HA       GLY  27  -4.271 -29.166   3.915
  189   2HA   GLY  27          2HA       GLY  27  -2.922 -28.903   5.017
  190    H    ILE  28           H        ILE  28  -5.685 -26.718   4.953
  191    HA   ILE  28           HA       ILE  28  -6.464 -27.784   7.644
  192    HB   ILE  28           HB       ILE  28  -6.410 -25.009   6.435
  193   1HG1  ILE  28          1HG1      ILE  28  -5.235 -25.649   9.081
  194   2HG1  ILE  28          2HG1      ILE  28  -4.441 -26.385   7.688
  195   1HG2  ILE  28          1HG2      ILE  28  -7.571 -25.900   9.095
  196   2HG2  ILE  28          2HG2      ILE  28  -7.342 -24.222   8.599
  197   3HG2  ILE  28          3HG2      ILE  28  -8.486 -25.249   7.734
  198   1HD1  ILE  28          1HD1      ILE  28  -5.172 -23.498   7.488
  199   2HD1  ILE  28          2HD1      ILE  28  -3.811 -23.921   8.529
  200   3HD1  ILE  28          3HD1      ILE  28  -3.783 -24.357   6.820
  201    HA   PRO  29           HA       PRO  29 -10.243 -28.611   5.347
  202   1HB   PRO  29          1HB       PRO  29 -11.590 -29.809   7.408
  203   2HB   PRO  29          2HB       PRO  29 -10.359 -30.644   6.442
  204   1HG   PRO  29          2HG       PRO  29  -9.437 -30.907   8.537
  205   2HG   PRO  29          1HG       PRO  29 -10.138 -29.399   9.143
  206   1HD   PRO  29          1HD       PRO  29  -8.030 -28.583   8.790
  207   2HD   PRO  29          2HD       PRO  29  -7.643 -29.835   7.590
  208    HA   PRO  30           HA       PRO  30 -12.978 -25.396   6.621
  209   1HB   PRO  30          1HB       PRO  30 -15.471 -26.501   6.428
  210   2HB   PRO  30          2HB       PRO  30 -14.494 -26.075   5.009
  211   1HG   PRO  30          2HG       PRO  30 -14.856 -28.319   4.597
  212   2HG   PRO  30          1HG       PRO  30 -14.894 -28.725   6.319
  213   1HD   PRO  30          1HD       PRO  30 -12.745 -29.423   5.893
  214   2HD   PRO  30          2HD       PRO  30 -12.550 -28.307   4.525
  215    H    GLY  31           H        GLY  31 -15.351 -25.423   8.032
  216   1HA   GLY  31          1HA       GLY  31 -16.094 -25.363  10.266
  217   2HA   GLY  31          2HA       GLY  31 -15.626 -27.064  10.282
  218    H    THR  32           H        THR  32 -13.258 -24.546   9.698
  219    HA   THR  32           HA       THR  32 -12.205 -24.936  12.478
  220    HB   THR  32           HB       THR  32 -10.736 -24.966   9.824
  221    HG1  THR  32           HG1      THR  32 -11.161 -26.924  11.830
  222   1HG2  THR  32          1HG2      THR  32  -9.841 -24.486  12.581
  223   2HG2  THR  32          2HG2      THR  32  -8.970 -25.789  11.771
  224   3HG2  THR  32          3HG2      THR  32  -9.008 -24.177  11.057
  225    HA   PRO  33           HA       PRO  33 -12.356 -20.455  11.981
  226   1HB   PRO  33          1HB       PRO  33 -11.804 -19.858  14.593
  227   2HB   PRO  33          2HB       PRO  33 -13.418 -20.332  14.030
  228   1HG   PRO  33          2HG       PRO  33 -13.096 -21.963  15.618
  229   2HG   PRO  33          1HG       PRO  33 -11.339 -21.948  15.421
  230   1HD   PRO  33          1HD       PRO  33 -11.706 -23.837  14.189
  231   2HD   PRO  33          2HD       PRO  33 -13.401 -23.413  13.875
  232    H    PHE  34           H        PHE  34 -10.700 -18.872  11.823
  233    HA   PHE  34           HA       PHE  34  -8.042 -19.668  11.351
  234   1HB   PHE  34          1HB       PHE  34  -8.901 -17.582  10.543
  235   2HB   PHE  34          2HB       PHE  34  -9.342 -17.053  12.156
  236    HD1  PHE  34           HD1      PHE  34  -7.634 -16.271  13.743
  237    HD2  PHE  34           HD2      PHE  34  -6.594 -17.480   9.754
  238    HE1  PHE  34           HE1      PHE  34  -5.415 -15.194  13.996
  239    HE2  PHE  34           HE2      PHE  34  -4.374 -16.403  10.008
  240    HZ   PHE  34           HZ       PHE  34  -3.785 -15.259  12.129
  241    H    VAL  35           H        VAL  35  -9.610 -18.759  14.373
  242    HA   VAL  35           HA       VAL  35  -7.247 -18.362  15.956
  243    HB   VAL  35           HB       VAL  35  -8.874 -18.657  17.813
  244   1HG1  VAL  35          1HG1      VAL  35  -9.056 -16.828  15.606
  245   2HG1  VAL  35          2HG1      VAL  35 -10.682 -17.163  16.201
  246   3HG1  VAL  35          3HG1      VAL  35  -9.451 -16.541  17.301
  247   1HG2  VAL  35          1HG2      VAL  35 -10.183 -20.271  15.831
  248   2HG2  VAL  35          2HG2      VAL  35 -10.603 -20.069  17.532
  249   3HG2  VAL  35          3HG2      VAL  35 -11.275 -18.976  16.323
  250    H    ASP  36           H        ASP  36  -8.573 -21.220  14.589
  251    HA   ASP  36           HA       ASP  36  -7.314 -22.956  16.666
  252   1HB   ASP  36          1HB       ASP  36  -9.743 -23.055  15.507
  253   2HB   ASP  36          2HB       ASP  36  -8.845 -24.033  14.347
  254    H    LEU  37           H        LEU  37  -6.470 -21.529  13.736
  255    HA   LEU  37           HA       LEU  37  -5.294 -23.536  12.167
  256   1HB   LEU  37          1HB       LEU  37  -4.631 -20.672  12.825
  257   2HB   LEU  37          2HB       LEU  37  -3.594 -21.586  11.731
  258    HG   LEU  37           HG       LEU  37  -6.580 -21.157  11.400
  259   1HD1  LEU  37          1HD1      LEU  37  -5.199 -19.150  10.938
  260   2HD1  LEU  37          2HD1      LEU  37  -4.218 -20.095   9.819
  261   3HD1  LEU  37          3HD1      LEU  37  -5.919 -19.795   9.463
  262   1HD2  LEU  37          1HD2      LEU  37  -4.768 -23.127  10.320
  263   2HD2  LEU  37          2HD2      LEU  37  -6.500 -22.952  10.043
  264   3HD2  LEU  37          3HD2      LEU  37  -5.354 -22.082   9.025
  265    H    SER  38           H        SER  38  -2.802 -23.858  12.001
  266    HA   SER  38           HA       SER  38  -1.843 -25.125  14.385
  267   1HB   SER  38          2HB       SER  38   0.132 -25.497  13.040
  268   2HB   SER  38          1HB       SER  38  -0.257 -24.128  11.999
  269    HG   SER  38           HG       SER  38  -1.681 -26.560  12.272
  270    H    ASP  39           H        ASP  39  -0.156 -24.453  15.820
  271    HA   ASP  39           HA       ASP  39  -0.150 -21.751  16.677
  272   1HB   ASP  39          1HB       ASP  39   0.758 -24.151  17.582
  273   2HB   ASP  39          2HB       ASP  39   2.284 -23.392  17.127
  274    H    SER  40           H        SER  40   1.635 -23.310  14.123
  275    HA   SER  40           HA       SER  40   3.143 -20.757  13.664
  276   1HB   SER  40          1HB       SER  40   4.866 -22.496  12.688
  277   2HB   SER  40          2HB       SER  40   4.785 -22.245  14.432
  278    HG   SER  40           HG       SER  40   4.377 -24.288  14.526
  279    H    PHE  41           H        PHE  41   0.595 -21.517  12.498
  280    HA   PHE  41           HA       PHE  41   0.798 -22.764   9.948
  281   1HB   PHE  41          1HB       PHE  41  -1.336 -22.416  10.937
  282   2HB   PHE  41          2HB       PHE  41  -1.029 -20.713  11.213
  283    HD1  PHE  41           HD1      PHE  41  -1.818 -23.264   8.647
  284    HD2  PHE  41           HD2      PHE  41  -1.336 -19.073   9.463
  285    HE1  PHE  41           HE1      PHE  41  -2.850 -22.715   6.457
  286    HE2  PHE  41           HE2      PHE  41  -2.371 -18.528   7.277
  287    HZ   PHE  41           HZ       PHE  41  -3.127 -20.349   5.774
  288    H    MET  42           H        MET  42   1.519 -22.012   7.983
  289    HA   MET  42           HA       MET  42   2.530 -19.195   7.864
  290   1HB   MET  42          1HB       MET  42   3.253 -21.674   6.264
  291   2HB   MET  42          2HB       MET  42   4.051 -20.106   6.143
  292   1HG   MET  42          1HG       MET  42   4.006 -20.809   8.901
  293   2HG   MET  42          2HG       MET  42   4.554 -22.233   8.015
  294   1HE   MET  42          1HE       MET  42   5.410 -19.936  10.011
  295   2HE   MET  42          2HE       MET  42   7.109 -19.557   9.743
  296   3HE   MET  42          3HE       MET  42   5.866 -18.459   9.151
  297    H    CYS  43           H        CYS  43   1.985 -17.948   5.987
  298    HA   CYS  43           HA       CYS  43  -0.610 -18.322   4.878
  299   1HB   CYS  43          1HB       CYS  43   0.825 -16.229   5.074
  300   2HB   CYS  43          2HB       CYS  43   1.709 -16.810   3.663
  301    HA   PRO  44           HA       PRO  44   0.410 -21.314   1.743
  302   1HB   PRO  44          1HB       PRO  44  -1.954 -21.241   0.372
  303   2HB   PRO  44          2HB       PRO  44  -1.768 -22.070   1.928
  304   1HG   PRO  44          2HG       PRO  44  -3.455 -20.635   2.517
  305   2HG   PRO  44          1HG       PRO  44  -2.983 -19.429   1.313
  306   1HD   PRO  44          1HD       PRO  44  -2.040 -18.331   3.065
  307   2HD   PRO  44          2HD       PRO  44  -2.044 -19.781   4.087
  308    H    ALA  45           H        ALA  45  -0.005 -17.989   1.308
  309    HA   ALA  45           HA       ALA  45   0.576 -18.183  -1.624
  310   1HB   ALA  45          3HB       ALA  45  -1.519 -17.077  -1.167
  311   2HB   ALA  45          2HB       ALA  45  -0.358 -15.821  -1.598
  312   3HB   ALA  45          1HB       ALA  45  -0.780 -16.089   0.092
  313    H    CYS  46           H        CYS  46   1.422 -16.496   1.398
  314    HA   CYS  46           HA       CYS  46   3.987 -15.709   0.081
  315   1HB   CYS  46          1HB       CYS  46   3.753 -13.550   0.907
  316   2HB   CYS  46          2HB       CYS  46   2.073 -13.979   0.626
  317    H    ARG  47           H        ARG  47   2.870 -17.862   2.188
  318    HA   ARG  47           HA       ARG  47   3.798 -19.073   3.976
  319   1HB   ARG  47          1HB       ARG  47   5.586 -18.893   2.109
  320   2HB   ARG  47          2HB       ARG  47   6.389 -17.755   3.192
  321   1HG   ARG  47          1HG       ARG  47   7.087 -19.410   4.570
  322   2HG   ARG  47          2HG       ARG  47   5.499 -20.180   4.572
  323   1HD   ARG  47          1HD       ARG  47   6.196 -20.869   2.097
  324   2HD   ARG  47          2HD       ARG  47   7.832 -20.657   2.749
  325    HE   ARG  47           HE       ARG  47   6.630 -22.104   4.730
  326   1HH1  ARG  47          1HH1      ARG  47   4.611 -23.118   2.802
  327   2HH1  ARG  47          2HH1      ARG  47   5.374 -24.538   2.168
  328   1HH2  ARG  47          1HH2      ARG  47   8.541 -23.646   3.265
  329   2HH2  ARG  47          2HH2      ARG  47   7.600 -24.835   2.427
  330    H    SER  48           H        SER  48   3.236 -15.946   4.383
  331    HA   SER  48           HA       SER  48   5.078 -15.115   6.440
  332   1HB   SER  48          1HB       SER  48   2.330 -14.349   5.496
  333   2HB   SER  48          2HB       SER  48   2.945 -13.658   6.994
  334    HG   SER  48           HG       SER  48   4.714 -12.864   5.872
  335    HA   PRO  49           HA       PRO  49   3.608 -17.311   9.950
  336   1HB   PRO  49          1HB       PRO  49   3.575 -15.400  11.912
  337   2HB   PRO  49          2HB       PRO  49   5.071 -16.108  11.272
  338   1HG   PRO  49          1HG       PRO  49   3.768 -13.504  10.615
  339   2HG   PRO  49          2HG       PRO  49   5.483 -13.877  10.846
  340   1HD   PRO  49          1HD       PRO  49   4.344 -13.594   8.396
  341   2HD   PRO  49          2HD       PRO  49   5.726 -14.668   8.700
  342    H    LYS  50           H        LYS  50   1.623 -17.823  10.947
  343    HA   LYS  50           HA       LYS  50  -0.795 -16.811   9.930
  344   1HB   LYS  50          1HB       LYS  50  -0.397 -18.954  11.162
  345   2HB   LYS  50          2HB       LYS  50  -0.251 -18.030  12.657
  346   1HG   LYS  50          1HG       LYS  50  -2.601 -17.057  11.861
  347   2HG   LYS  50          2HG       LYS  50  -2.678 -18.596  11.003
  348   1HD   LYS  50          1HD       LYS  50  -2.552 -19.850  12.999
  349   2HD   LYS  50          2HD       LYS  50  -1.916 -18.486  13.919
  350   1HE   LYS  50          1HE       LYS  50  -4.063 -17.348  13.828
  351   2HE   LYS  50          2HE       LYS  50  -4.716 -18.587  12.740
  352   1HZ   LYS  50          1HZ       LYS  50  -3.941 -20.200  14.580
  353   2HZ   LYS  50          2HZ       LYS  50  -3.942 -18.828  15.583
  354   3HZ   LYS  50          3HZ       LYS  50  -5.377 -19.332  14.825
  355    H    ASN  51           H        ASN  51   1.108 -15.658  12.687
  356    HA   ASN  51           HA       ASN  51  -0.902 -13.960  13.823
  357   1HB   ASN  51          1HB       ASN  51   1.128 -12.806  14.785
  358   2HB   ASN  51          2HB       ASN  51   1.135 -14.555  15.007
  359   2HD2  ASN  51          2HD2      ASN  51   3.358 -15.046  14.876
  360   1HD2  ASN  51          1HD2      ASN  51   4.346 -14.631  13.560
  361    H    GLN  52           H        GLN  52   0.815 -13.757  10.846
  362    HA   GLN  52           HA       GLN  52   0.699 -10.837  10.612
  363   1HB   GLN  52          1HB       GLN  52   2.034 -12.982   9.402
  364   2HB   GLN  52          2HB       GLN  52   0.955 -12.376   8.145
  365   1HG   GLN  52          1HG       GLN  52   2.912 -10.708   9.760
  366   2HG   GLN  52          2HG       GLN  52   3.122 -11.200   8.079
  367   2HE2  GLN  52          2HE2      GLN  52   0.588 -10.755   7.002
  368   1HE2  GLN  52          1HE2      GLN  52   0.187  -9.112   7.122
  369    H    PHE  53           H        PHE  53  -1.590 -13.348  10.393
  370    HA   PHE  53           HA       PHE  53  -3.203 -12.188   8.226
  371   1HB   PHE  53          1HB       PHE  53  -3.450 -14.423  10.235
  372   2HB   PHE  53          2HB       PHE  53  -4.846 -13.926   9.285
  373    HD1  PHE  53           HD1      PHE  53  -1.182 -14.332   8.506
  374    HD2  PHE  53           HD2      PHE  53  -5.233 -15.368   7.515
  375    HE1  PHE  53           HE1      PHE  53  -0.372 -15.660   6.578
  376    HE2  PHE  53           HE2      PHE  53  -4.419 -16.697   5.587
  377    HZ   PHE  53           HZ       PHE  53  -1.990 -16.844   5.121
  378    H    LYS  54           H        LYS  54  -4.571 -10.480   8.562
  379    HA   LYS  54           HA       LYS  54  -5.315  -9.790  11.374
  380   1HB   LYS  54          1HB       LYS  54  -4.129  -8.122   9.954
  381   2HB   LYS  54          2HB       LYS  54  -5.450  -8.201   8.786
  382   1HG   LYS  54          1HG       LYS  54  -6.835  -7.736  11.089
  383   2HG   LYS  54          2HG       LYS  54  -5.338  -6.868  11.428
  384   1HD   LYS  54          1HD       LYS  54  -5.896  -6.179   8.795
  385   2HD   LYS  54          2HD       LYS  54  -7.486  -6.206   9.556
  386   1HE   LYS  54          1HE       LYS  54  -5.399  -4.911  11.196
  387   2HE   LYS  54          2HE       LYS  54  -5.770  -4.068   9.680
  388   1HZ   LYS  54          1HZ       LYS  54  -8.145  -4.316  10.217
  389   2HZ   LYS  54          2HZ       LYS  54  -7.732  -5.007  11.712
  390   3HZ   LYS  54          3HZ       LYS  54  -7.329  -3.393  11.386
  391    H    SER  55           H        SER  55  -7.392 -10.305  11.982
  392    HA   SER  55           HA       SER  55  -9.313 -11.570  10.374
  393   1HB   SER  55          1HB       SER  55  -9.676 -11.657  12.676
  394   2HB   SER  55          2HB       SER  55  -9.356  -9.941  12.885
  395    HG   SER  55           HG       SER  55 -11.678 -11.052  12.709
  396    H    ILE  56           H        ILE  56 -11.610 -10.449  10.095
  397    HA   ILE  56           HA       ILE  56 -11.486  -7.643   9.197
  398    HB   ILE  56           HB       ILE  56 -10.465  -8.932   7.351
  399   1HG1  ILE  56          1HG1      ILE  56 -13.190  -8.325   6.298
  400   2HG1  ILE  56          2HG1      ILE  56 -12.320  -7.013   7.095
  401   1HG2  ILE  56          1HG2      ILE  56 -12.684 -10.716   7.986
  402   2HG2  ILE  56          2HG2      ILE  56 -12.605 -10.354   6.261
  403   3HG2  ILE  56          3HG2      ILE  56 -11.206 -11.048   7.081
  404   1HD1  ILE  56          1HD1      ILE  56 -10.690  -8.596   5.208
  405   2HD1  ILE  56          2HD1      ILE  56 -12.006  -7.691   4.459
  406   3HD1  ILE  56          3HD1      ILE  56 -10.789  -6.847   5.418
  407    H    LYS  57           H        LYS  57 -13.142  -8.109  11.095
  408    HA   LYS  57           HA       LYS  57 -15.747  -9.095  10.023
  409   1HB   LYS  57          1HB       LYS  57 -16.339  -9.104  12.453
  410   2HB   LYS  57          2HB       LYS  57 -14.902 -10.068  12.108
  411   1HG   LYS  57          1HG       LYS  57 -13.583  -8.722  13.357
  412   2HG   LYS  57          2HG       LYS  57 -14.267  -7.262  12.642
  413   1HD   LYS  57          1HD       LYS  57 -15.781  -6.999  14.327
  414   2HD   LYS  57          2HD       LYS  57 -16.080  -8.732  14.459
  415   1HE   LYS  57          1HE       LYS  57 -14.609  -8.918  16.180
  416   2HE   LYS  57          2HE       LYS  57 -13.360  -8.035  15.281
  417   1HZ   LYS  57          1HZ       LYS  57 -14.802  -6.000  15.718
  418   2HZ   LYS  57          2HZ       LYS  57 -15.593  -6.940  16.892
  419   3HZ   LYS  57          3HZ       LYS  57 -13.935  -6.617  17.043
  420    H    LYS  58           H        LYS  58 -15.383  -6.790   8.805
  421    HA   LYS  58           HA       LYS  58 -16.523  -4.613  10.510
  422   1HB   LYS  58          1HB       LYS  58 -14.613  -4.846   8.301
  423   2HB   LYS  58          2HB       LYS  58 -15.807  -3.576   8.030
  424   1HG   LYS  58          1HG       LYS  58 -14.898  -3.530  10.778
  425   2HG   LYS  58          2HG       LYS  58 -13.524  -3.431   9.677
  426   1HD   LYS  58          1HD       LYS  58 -15.038  -1.681   8.416
  427   2HD   LYS  58          2HD       LYS  58 -15.852  -1.559   9.975
  428   1HE   LYS  58          1HE       LYS  58 -13.667  -1.060  11.059
  429   2HE   LYS  58          2HE       LYS  58 -12.881  -1.135   9.472
  430   1HZ   LYS  58          1HZ       LYS  58 -14.667   0.505   8.754
  431   2HZ   LYS  58          2HZ       LYS  58 -14.970   0.751  10.404
  432   3HZ   LYS  58          3HZ       LYS  58 -13.441   1.115   9.760
  433    H    VAL  59           H        VAL  59 -18.671  -4.174  10.236
  434    HA   VAL  59           HA       VAL  59 -19.920  -4.747   7.575
  435    HB   VAL  59           HB       VAL  59 -20.381  -6.598   9.111
  436   1HG1  VAL  59          1HG1      VAL  59 -20.691  -4.368  10.998
  437   2HG1  VAL  59          2HG1      VAL  59 -21.972  -5.574  11.123
  438   3HG1  VAL  59          3HG1      VAL  59 -20.286  -6.055  11.311
  439   1HG2  VAL  59          1HG2      VAL  59 -22.270  -5.174   7.729
  440   2HG2  VAL  59          2HG2      VAL  59 -22.582  -6.708   8.544
  441   3HG2  VAL  59          3HG2      VAL  59 -22.963  -5.186   9.351
  442    H    ILE  60           H        ILE  60 -21.618  -3.292   7.029
  443    HA   ILE  60           HA       ILE  60 -22.173  -1.090   8.981
  444    HB   ILE  60           HB       ILE  60 -20.404  -0.412   7.410
  445   1HG1  ILE  60          2HG1      ILE  60 -23.001   0.847   7.640
  446   2HG1  ILE  60          1HG1      ILE  60 -22.277   1.222   6.077
  447   1HG2  ILE  60          1HG2      ILE  60 -22.032  -1.916   5.578
  448   2HG2  ILE  60          2HG2      ILE  60 -21.837  -0.275   4.963
  449   3HG2  ILE  60          3HG2      ILE  60 -20.417  -1.255   5.324
  450   1HD1  ILE  60          1HD1      ILE  60 -20.157   1.452   7.880
  451   2HD1  ILE  60          2HD1      ILE  60 -21.053   2.786   7.154
  452   3HD1  ILE  60          3HD1      ILE  60 -21.526   2.163   8.734
  453    H    ALA  61           H        ALA  61 -23.960  -3.181   8.593
  454    HA   ALA  61           HA       ALA  61 -26.094  -1.895   6.920
  455   1HB   ALA  61          2HB       ALA  61 -26.650  -4.605   6.967
  456   2HB   ALA  61          3HB       ALA  61 -25.833  -3.763   5.650
  457   3HB   ALA  61          1HB       ALA  61 -24.888  -4.574   6.899
  458    H    GLY  62           H        GLY  62 -25.364  -1.984   9.938
  459   1HA   GLY  62          1HA       GLY  62 -27.859  -1.762  11.092
  460   2HA   GLY  62          2HA       GLY  62 -27.544  -3.497  11.150
  461    H    PHE  63           H        PHE  63 -27.479  -0.993  13.124
  462    HA   PHE  63           HA       PHE  63 -24.886  -1.755  14.428
  463   1HB   PHE  63          1HB       PHE  63 -26.243   0.759  13.809
  464   2HB   PHE  63          2HB       PHE  63 -25.791   0.651  15.511
  465    HD1  PHE  63           HD1      PHE  63 -24.291  -0.359  12.215
  466    HD2  PHE  63           HD2      PHE  63 -23.707   1.542  16.022
  467    HE1  PHE  63           HE1      PHE  63 -21.932   0.109  11.618
  468    HE2  PHE  63           HE2      PHE  63 -21.345   2.011  15.425
  469    HZ   PHE  63           HZ       PHE  63 -20.458   1.295  13.222
  470    H    ALA  64           H        ALA  64 -24.991  -2.493  16.544
  471    HA   ALA  64           HA       ALA  64 -27.695  -2.503  17.851
  472   1HB   ALA  64          3HB       ALA  64 -27.177  -4.722  17.162
  473   2HB   ALA  64          2HB       ALA  64 -26.741  -4.679  18.871
  474   3HB   ALA  64          1HB       ALA  64 -25.487  -4.556  17.637
  475    H    GLU  65           H        GLU  65 -25.142  -0.715  18.071
  476    HA   GLU  65           HA       GLU  65 -24.994  -0.852  21.059
  477   1HB   GLU  65          2HB       GLU  65 -23.038  -1.955  20.004
  478   2HB   GLU  65          1HB       GLU  65 -22.560  -0.490  20.861
  479   1HG   GLU  65          1HG       GLU  65 -23.275   0.286  18.222
  480   2HG   GLU  65          2HG       GLU  65 -21.672   0.307  18.955
  481    H    ASN  66           H        ASN  66 -26.208   0.955  18.767
  482    HA   ASN  66           HA       ASN  66 -25.689   3.486  20.170
  483   1HB   ASN  66          1HB       ASN  66 -24.300   2.656  17.731
  484   2HB   ASN  66          2HB       ASN  66 -25.142   4.192  17.529
  485   2HD2  ASN  66          2HD2      ASN  66 -22.465   2.602  19.149
  486   1HD2  ASN  66          1HD2      ASN  66 -21.847   3.990  19.907
  487    H    GLN  67           H        GLN  67 -27.037   1.972  17.224
  488    HA   GLN  67           HA       GLN  67 -29.429   3.762  17.520
  489   1HB   GLN  67          1HB       GLN  67 -27.605   3.372  15.398
  490   2HB   GLN  67          2HB       GLN  67 -29.092   2.564  14.904
  491   1HG   GLN  67          1HG       GLN  67 -29.932   4.587  14.372
  492   2HG   GLN  67          2HG       GLN  67 -29.906   4.989  16.088
  493   2HE2  GLN  67          2HE2      GLN  67 -29.175   7.176  15.905
  494   1HE2  GLN  67          1HE2      GLN  67 -27.661   7.594  15.262
  495    H    LYS  68           H        LYS  68 -31.266   2.525  16.014
  496    HA   LYS  68           HA       LYS  68 -31.316  -0.375  16.322
  497   1HB   LYS  68          1HB       LYS  68 -32.050   1.340  18.508
  498   2HB   LYS  68          2HB       LYS  68 -33.494   0.502  17.941
  499   1HG   LYS  68          1HG       LYS  68 -31.000  -1.111  18.222
  500   2HG   LYS  68          2HG       LYS  68 -31.813  -0.614  19.706
  501   1HD   LYS  68          1HD       LYS  68 -33.963  -1.456  18.352
  502   2HD   LYS  68          2HD       LYS  68 -32.752  -2.457  17.553
  503   1HE   LYS  68          2HE       LYS  68 -31.984  -2.880  20.092
  504   2HE   LYS  68          1HE       LYS  68 -33.287  -3.834  19.358
  505   1HZ   LYS  68          1HZ       LYS  68 -33.714  -1.250  20.768
  506   2HZ   LYS  68          2HZ       LYS  68 -34.905  -2.328  20.224
  507   3HZ   LYS  68          3HZ       LYS  68 -33.894  -2.765  21.518
  508    H    TYR  69           H        TYR  69 -33.838  -1.042  16.068
  509    HA   TYR  69           HA       TYR  69 -34.970   0.734  13.928
  510   1HB   TYR  69          1HB       TYR  69 -33.925  -1.740  13.624
  511   2HB   TYR  69          2HB       TYR  69 -35.585  -2.178  14.026
  512    HD1  TYR  69           HD1      TYR  69 -33.498  -0.140  11.710
  513    HD2  TYR  69           HD2      TYR  69 -37.355  -1.875  12.461
  514    HE1  TYR  69           HE1      TYR  69 -34.208   0.441   9.407
  515    HE2  TYR  69           HE2      TYR  69 -38.066  -1.293  10.157
  516    HH   TYR  69           HH       TYR  69 -35.958   0.575   7.995
  517    H    GLY  70           H        GLY  70 -36.749   1.730  14.818
  518   1HA   GLY  70          1HA       GLY  70 -38.415   0.212  16.759
  519   2HA   GLY  70          2HA       GLY  70 -38.475   1.957  16.509

  No H/Q in entry =         519